smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000012334514 484355867 /nfs/dbraw/zinc/35/58/67/484355867.db2.gz YNFJJYSHBYZVQG-MRXNPFEDSA-N 0 3 354.495 -0.083 20 0 FBADHN CNC(=O)C1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000012334516 484355910 /nfs/dbraw/zinc/35/59/10/484355910.db2.gz YNFJJYSHBYZVQG-INIZCTEOSA-N 0 3 354.495 -0.083 20 0 FBADHN CCN1CCC(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000014523912 484357896 /nfs/dbraw/zinc/35/78/96/484357896.db2.gz XTQWXZBUSRSWQL-UHFFFAOYSA-N 0 3 362.434 -0.576 20 0 FBADHN Cn1c2ncn(CCC(=O)NC3CCN(C4CC4)CC3)c2c(=O)n(C)c1=O ZINC000014528454 484357223 /nfs/dbraw/zinc/35/72/23/484357223.db2.gz XIBUTHRULUQRHD-UHFFFAOYSA-N 0 3 374.445 -0.433 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000015303368 243107722 /nfs/dbraw/zinc/10/77/22/243107722.db2.gz HDTMRCBYBOVZOS-INIZCTEOSA-N 0 3 352.479 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/nfs/dbraw/zinc/07/37/47/484073747.db2.gz YQRIMDAPBZNDOL-OAHLLOKOSA-N 0 3 365.522 -0.128 20 0 FBADHN CCC(NCCCN1CCN(C)CC1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000022829138 484366730 /nfs/dbraw/zinc/36/67/30/484366730.db2.gz YALGIUXUTSXEIF-UHFFFAOYSA-N 0 3 351.451 -0.072 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000023287150 484367628 /nfs/dbraw/zinc/36/76/28/484367628.db2.gz PTRBCRMSBVPLFB-UHFFFAOYSA-N 0 3 353.511 -0.271 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000023287973 484532736 /nfs/dbraw/zinc/53/27/36/484532736.db2.gz PKLSNKDNNQUFLI-UHFFFAOYSA-N 0 3 351.495 -0.517 20 0 FBADHN Cn1c2ncn(CC(=O)NC3CCN(C4CC4)CC3)c2c(=O)n(C)c1=O ZINC000023294573 484368217 /nfs/dbraw/zinc/36/82/17/484368217.db2.gz CYZUIOFSVKQISQ-UHFFFAOYSA-N 0 3 360.418 -0.823 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000023700365 535524227 /nfs/dbraw/zinc/52/42/27/535524227.db2.gz OAEJYKYEIPDQHE-GFCCVEGCSA-N 0 3 363.418 -0.291 20 0 FBADHN 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-0.073 20 0 FBADHN CN(C)CCNC(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000031458011 484362818 /nfs/dbraw/zinc/36/28/18/484362818.db2.gz LZDJCRLMXXXPDI-UHFFFAOYSA-N 0 3 373.413 -0.523 20 0 FBADHN C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[N@H+]1CCCC[C@H]1C ZINC000032441118 484528368 /nfs/dbraw/zinc/52/83/68/484528368.db2.gz TXNCEQOSUGIDNU-NEPJUHHUSA-N 0 3 358.464 -0.375 20 0 FBADHN C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@H]1C ZINC000032441118 484528362 /nfs/dbraw/zinc/52/83/62/484528362.db2.gz TXNCEQOSUGIDNU-NEPJUHHUSA-N 0 3 358.464 -0.375 20 0 FBADHN C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[N@H+]1CCCC[C@@H]1C ZINC000032441119 484528532 /nfs/dbraw/zinc/52/85/32/484528532.db2.gz TXNCEQOSUGIDNU-RYUDHWBXSA-N 0 3 358.464 -0.375 20 0 FBADHN C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@@H]1C ZINC000032441119 484528525 /nfs/dbraw/zinc/52/85/25/484528525.db2.gz TXNCEQOSUGIDNU-RYUDHWBXSA-N 0 3 358.464 -0.375 20 0 FBADHN 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/nfs/dbraw/zinc/11/61/65/243116165.db2.gz KPDLMNQMBUVQDG-QGZVFWFLSA-N 0 3 358.442 -0.407 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)CSCC(N)=O)c1 ZINC000067192687 484593245 /nfs/dbraw/zinc/59/32/45/484593245.db2.gz HGZHVRNZTSBIIP-UHFFFAOYSA-N 0 3 352.460 -0.187 20 0 FBADHN C[C@@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)N1CCC(C)CC1 ZINC000067270590 484556108 /nfs/dbraw/zinc/55/61/08/484556108.db2.gz NBINCSHJZRRUKH-ZDUSSCGKSA-N 0 3 357.480 -0.065 20 0 FBADHN C[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)N1CCC(C)CC1 ZINC000067270593 484556021 /nfs/dbraw/zinc/55/60/21/484556021.db2.gz NBINCSHJZRRUKH-CYBMUJFWSA-N 0 3 357.480 -0.065 20 0 FBADHN COCCN(C)CCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000067273821 484452788 /nfs/dbraw/zinc/45/27/88/484452788.db2.gz SSUXQVQBYHAUAR-UHFFFAOYSA-N 0 3 361.402 -0.272 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000067292735 484452340 /nfs/dbraw/zinc/45/23/40/484452340.db2.gz UZEZNIMJQWYJOA-LLVKDONJSA-N 0 3 362.434 -0.269 20 0 FBADHN 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/nfs/dbraw/zinc/46/01/11/484460111.db2.gz KRLASFGSOAFVEE-ZDUSSCGKSA-N 0 3 353.444 -0.116 20 0 FBADHN CC(C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000068295239 484459618 /nfs/dbraw/zinc/45/96/18/484459618.db2.gz KRLASFGSOAFVEE-CYBMUJFWSA-N 0 3 353.444 -0.116 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000068342459 483882153 /nfs/dbraw/zinc/88/21/53/483882153.db2.gz WSSUOMQLQSPKAF-CHWSQXEVSA-N 0 3 370.475 -0.296 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000068342460 484460340 /nfs/dbraw/zinc/46/03/40/484460340.db2.gz WSSUOMQLQSPKAF-QWHCGFSZSA-N 0 3 370.475 -0.296 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000068342461 484460220 /nfs/dbraw/zinc/46/02/20/484460220.db2.gz WSSUOMQLQSPKAF-OLZOCXBDSA-N 0 3 370.475 -0.296 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000068342462 484459506 /nfs/dbraw/zinc/45/95/06/484459506.db2.gz WSSUOMQLQSPKAF-STQMWFEESA-N 0 3 370.475 -0.296 20 0 FBADHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000068479571 484832402 /nfs/dbraw/zinc/83/24/02/484832402.db2.gz MXBIAJCRFQCJFV-SNVBAGLBSA-N 0 3 369.447 -0.370 20 0 FBADHN CN(C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000068497749 484462699 /nfs/dbraw/zinc/46/26/99/484462699.db2.gz PAYPVAWDUNVWFU-CQSZACIVSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000068497750 484462342 /nfs/dbraw/zinc/46/23/42/484462342.db2.gz PAYPVAWDUNVWFU-AWEZNQCLSA-N 0 3 350.463 -0.086 20 0 FBADHN COCCN1C[C@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC1=O ZINC000068497753 484462933 /nfs/dbraw/zinc/46/29/33/484462933.db2.gz ODMXSCSVBFKSNA-OAHLLOKOSA-N 0 3 368.478 -0.602 20 0 FBADHN COCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC1=O ZINC000068497755 484462899 /nfs/dbraw/zinc/46/28/99/484462899.db2.gz ODMXSCSVBFKSNA-HNNXBMFYSA-N 0 3 368.478 -0.602 20 0 FBADHN CN(C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000068498305 484782812 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FBADHN Cn1c(N)c(C(=O)CN2CCC[C@@H]2CN2CCCCC2)c(=O)n(C)c1=O ZINC000069078795 243117549 /nfs/dbraw/zinc/11/75/49/243117549.db2.gz RDQWLZRLMSAENW-CYBMUJFWSA-N 0 3 363.462 -0.201 20 0 FBADHN Cn1c(N)c(C(=O)CN2CCC[C@H]2CN2CCCCC2)c(=O)n(C)c1=O ZINC000069078799 243118633 /nfs/dbraw/zinc/11/86/33/243118633.db2.gz RDQWLZRLMSAENW-ZDUSSCGKSA-N 0 3 363.462 -0.201 20 0 FBADHN Cn1c2[nH]c(CCC(=O)N3CCN(C4CCCC4)CC3)nc2c(=O)[nH]c1=O ZINC000069118386 484465769 /nfs/dbraw/zinc/46/57/69/484465769.db2.gz UMMASEXDEBFVLB-UHFFFAOYSA-N 0 3 374.445 -0.031 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c(=O)n(C)c1=O ZINC000069124703 243119497 /nfs/dbraw/zinc/11/94/97/243119497.db2.gz KXEVZJDHICOCOS-CYBMUJFWSA-N 0 3 370.475 -0.277 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c(=O)n(C)c1=O ZINC000069124704 243117945 /nfs/dbraw/zinc/11/79/45/243117945.db2.gz KXEVZJDHICOCOS-ZDUSSCGKSA-N 0 3 370.475 -0.277 20 0 FBADHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000069141084 243119553 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243122713 /nfs/dbraw/zinc/12/27/13/243122713.db2.gz PSCMZVMCFFLWEG-AWEZNQCLSA-N 0 3 357.480 -0.648 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CC[C@@H](CN3CCOCC3)C2)cn1 ZINC000075768387 243123308 /nfs/dbraw/zinc/12/33/08/243123308.db2.gz PSCMZVMCFFLWEG-CQSZACIVSA-N 0 3 357.480 -0.648 20 0 FBADHN CCN1CCN(CCNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000075860859 535700193 /nfs/dbraw/zinc/70/01/93/535700193.db2.gz AKFFNNMOXFWOIT-UHFFFAOYSA-N 0 3 350.467 -0.475 20 0 FBADHN CN1CCN(CCCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000075867223 484592453 /nfs/dbraw/zinc/59/24/53/484592453.db2.gz RFBQFTQWWJBNGT-HNNXBMFYSA-N 0 3 360.524 -0.056 20 0 FBADHN CN1CCN(CCCCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000075867224 484591695 /nfs/dbraw/zinc/59/16/95/484591695.db2.gz RFBQFTQWWJBNGT-OAHLLOKOSA-N 0 3 360.524 -0.056 20 0 FBADHN CN1CCN(CCCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000075867262 484592272 /nfs/dbraw/zinc/59/22/72/484592272.db2.gz HBDYSUVUYCUFFS-HNNXBMFYSA-N 0 3 360.524 -0.198 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000075874490 484592377 /nfs/dbraw/zinc/59/23/77/484592377.db2.gz WDSHJMUOUJUEEP-HNNXBMFYSA-N 0 3 360.524 -0.056 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000075874491 484591427 /nfs/dbraw/zinc/59/14/27/484591427.db2.gz WDSHJMUOUJUEEP-OAHLLOKOSA-N 0 3 360.524 -0.056 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000075874512 484754364 /nfs/dbraw/zinc/75/43/64/484754364.db2.gz UYSSVTIBAXIXME-HNNXBMFYSA-N 0 3 360.524 -0.198 20 0 FBADHN CC(C)N1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000075938863 484649932 /nfs/dbraw/zinc/64/99/32/484649932.db2.gz RHCJYPCKURUCMW-UHFFFAOYSA-N 0 3 353.511 -0.365 20 0 FBADHN CC1(C)CCN(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000076012598 483877513 /nfs/dbraw/zinc/87/75/13/483877513.db2.gz CTQYGZLVPCETJB-UHFFFAOYSA-N 0 3 352.479 -0.279 20 0 FBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)N(C)C1CC1 ZINC000076019588 243121607 /nfs/dbraw/zinc/12/16/07/243121607.db2.gz JTFLQTFABCIPGG-LSDHHAIUSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)N(C)C1CC1 ZINC000076019591 243122431 /nfs/dbraw/zinc/12/24/31/243122431.db2.gz JTFLQTFABCIPGG-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)N(C)C1CC1 ZINC000076019593 243120694 /nfs/dbraw/zinc/12/06/94/243120694.db2.gz JTFLQTFABCIPGG-GJZGRUSLSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)N(C)C1CC1 ZINC000076019595 243123428 /nfs/dbraw/zinc/12/34/28/243123428.db2.gz JTFLQTFABCIPGG-CABCVRRESA-N 0 3 352.479 -0.234 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(C2)CCOCC3)CC1 ZINC000076157197 483878301 /nfs/dbraw/zinc/87/83/01/483878301.db2.gz ZJFZCEFFZHRVPI-UHFFFAOYSA-N 0 3 352.479 -0.279 20 0 FBADHN CCc1nncn1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000076212330 483878130 /nfs/dbraw/zinc/87/81/30/483878130.db2.gz PCPJIQJXIXBDBL-UHFFFAOYSA-N 0 3 363.466 -0.210 20 0 FBADHN Cn1c2ncn(CC(=O)NCCN3CCCCCC3)c2c(=O)n(C)c1=O ZINC000076250145 243122115 /nfs/dbraw/zinc/12/21/15/243122115.db2.gz RBQSIYCQGLJNDS-UHFFFAOYSA-N 0 3 362.434 -0.574 20 0 FBADHN Cn1c2ncn(CCN3CCC[C@H](C4OCCO4)C3)c2c(=O)n(C)c1=O ZINC000076294898 243123813 /nfs/dbraw/zinc/12/38/13/243123813.db2.gz VRDKJRUEQPTABG-LBPRGKRZSA-N 0 3 363.418 -0.481 20 0 FBADHN Cn1c2ncn(CCN3CCC[C@@H](C4OCCO4)C3)c2c(=O)n(C)c1=O ZINC000076294900 243121411 /nfs/dbraw/zinc/12/14/11/243121411.db2.gz VRDKJRUEQPTABG-GFCCVEGCSA-N 0 3 363.418 -0.481 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000076297260 535727738 /nfs/dbraw/zinc/72/77/38/535727738.db2.gz HGEAOUQSTQTYAJ-HNNXBMFYSA-N 0 3 364.494 -0.087 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000076297265 243123555 /nfs/dbraw/zinc/12/35/55/243123555.db2.gz HGEAOUQSTQTYAJ-OAHLLOKOSA-N 0 3 364.494 -0.087 20 0 FBADHN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000076431826 243124346 /nfs/dbraw/zinc/12/43/46/243124346.db2.gz ATJFJHQKZWXXBJ-MRXNPFEDSA-N 0 3 363.462 -0.052 20 0 FBADHN Cc1[nH]ncc1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000076431829 243124389 /nfs/dbraw/zinc/12/43/89/243124389.db2.gz ATJFJHQKZWXXBJ-INIZCTEOSA-N 0 3 363.462 -0.052 20 0 FBADHN CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC000076484773 535728518 /nfs/dbraw/zinc/72/85/18/535728518.db2.gz BIJXNNZZADYGFH-LBPRGKRZSA-N 0 3 358.464 -0.057 20 0 FBADHN CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC000076484775 243122763 /nfs/dbraw/zinc/12/27/63/243122763.db2.gz BIJXNNZZADYGFH-GFCCVEGCSA-N 0 3 358.464 -0.057 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000076610751 243121877 /nfs/dbraw/zinc/12/18/77/243121877.db2.gz FVMUKRHAEVJWKE-KRWDZBQOSA-N 0 3 356.511 -0.444 20 0 FBADHN NC(=O)[C@H]1CCCN(C(=O)CN2CCC(CN3CCOCC3)CC2)C1 ZINC000076682788 483878317 /nfs/dbraw/zinc/87/83/17/483878317.db2.gz MFTORSLEOWYZEE-INIZCTEOSA-N 0 3 352.479 -0.246 20 0 FBADHN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC(CN3CCOCC3)CC2)C1 ZINC000076682790 483877871 /nfs/dbraw/zinc/87/78/71/483877871.db2.gz MFTORSLEOWYZEE-MRXNPFEDSA-N 0 3 352.479 -0.246 20 0 FBADHN CN(CCCNC(=O)CN1CCN(C2CCCC2)CC1)S(C)(=O)=O ZINC000076906102 484665909 /nfs/dbraw/zinc/66/59/09/484665909.db2.gz SOPOSGGNYQMCTQ-UHFFFAOYSA-N 0 3 360.524 -0.056 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCC(CC(N)=O)CC1)c(=O)n2C ZINC000077168578 243123985 /nfs/dbraw/zinc/12/39/85/243123985.db2.gz GCZUYEBXSQRGSD-UHFFFAOYSA-N 0 3 362.434 -0.589 20 0 FBADHN CC(C)CN1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000077363686 483878547 /nfs/dbraw/zinc/87/85/47/483878547.db2.gz ULOAWFYUDFLYHR-UHFFFAOYSA-N 0 3 351.451 -0.487 20 0 FBADHN CN1CCN(C[C@H]2CCCN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)CC1 ZINC000077451029 483878634 /nfs/dbraw/zinc/87/86/34/483878634.db2.gz NPQYPHWLVBGPJL-OAHLLOKOSA-N 0 3 363.462 -0.967 20 0 FBADHN CN1CCN(C[C@@H]2CCCN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)CC1 ZINC000077451031 483878595 /nfs/dbraw/zinc/87/85/95/483878595.db2.gz NPQYPHWLVBGPJL-HNNXBMFYSA-N 0 3 363.462 -0.967 20 0 FBADHN COCCN1C[C@H](C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)CC1=O ZINC000077452113 483878620 /nfs/dbraw/zinc/87/86/20/483878620.db2.gz ORUSJFXMTNOODB-DLBZAZTESA-N 0 3 366.506 -0.033 20 0 FBADHN COCCN1C[C@H](C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)CC1=O ZINC000077452116 483878746 /nfs/dbraw/zinc/87/87/46/483878746.db2.gz ORUSJFXMTNOODB-IAGOWNOFSA-N 0 3 366.506 -0.033 20 0 FBADHN COCCN1C[C@@H](C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)CC1=O ZINC000077452124 483878797 /nfs/dbraw/zinc/87/87/97/483878797.db2.gz ORUSJFXMTNOODB-IRXDYDNUSA-N 0 3 366.506 -0.033 20 0 FBADHN COCCN1C[C@@H](C(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)CC1=O ZINC000077452128 483503380 /nfs/dbraw/zinc/50/33/80/483503380.db2.gz ORUSJFXMTNOODB-SJORKVTESA-N 0 3 366.506 -0.033 20 0 FBADHN CN1CCN(C[C@@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)CC1 ZINC000077452237 483878570 /nfs/dbraw/zinc/87/85/70/483878570.db2.gz SCTUCLYMXNRJSR-INIZCTEOSA-N 0 3 372.473 -0.018 20 0 FBADHN CN1CCN(C[C@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)CC1 ZINC000077452241 483878690 /nfs/dbraw/zinc/87/86/90/483878690.db2.gz SCTUCLYMXNRJSR-MRXNPFEDSA-N 0 3 372.473 -0.018 20 0 FBADHN CN(C)CCN1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000077455461 483878915 /nfs/dbraw/zinc/87/89/15/483878915.db2.gz VZMVRIKKARRTJH-UHFFFAOYSA-N 0 3 360.524 -0.246 20 0 FBADHN CN(C)CCN1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000077455550 483878697 /nfs/dbraw/zinc/87/86/97/483878697.db2.gz KTCPCXPWNJIRQA-UHFFFAOYSA-N 0 3 351.455 -0.924 20 0 FBADHN CN(C)CCN1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000077456234 483878686 /nfs/dbraw/zinc/87/86/86/483878686.db2.gz HDPQEJDOGZBBIQ-UHFFFAOYSA-N 0 3 373.457 -0.214 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000077595772 657416802 /nfs/dbraw/zinc/41/68/02/657416802.db2.gz QVFOJXJJBDWZEU-QGZVFWFLSA-N 0 3 353.511 -0.014 20 0 FBADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000077616284 535707883 /nfs/dbraw/zinc/70/78/83/535707883.db2.gz FMASPYJEYHCKNH-ZDUSSCGKSA-N 0 3 371.507 -0.324 20 0 FBADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000077616286 535719042 /nfs/dbraw/zinc/71/90/42/535719042.db2.gz FMASPYJEYHCKNH-CYBMUJFWSA-N 0 3 371.507 -0.324 20 0 FBADHN CN1CCC(O)(CNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000077779506 483878894 /nfs/dbraw/zinc/87/88/94/483878894.db2.gz SEWRHEPGDCVZTR-UHFFFAOYSA-N 0 3 366.466 -0.473 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000077835566 484778699 /nfs/dbraw/zinc/77/86/99/484778699.db2.gz QDOYBQHCUZXBBN-HNNXBMFYSA-N 0 3 365.482 -0.340 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000077835569 484777657 /nfs/dbraw/zinc/77/76/57/484777657.db2.gz QDOYBQHCUZXBBN-OAHLLOKOSA-N 0 3 365.482 -0.340 20 0 FBADHN O=C(CN1CCCN(C[C@H](O)CN2CCOCC2)CC1)N1CCCC1 ZINC000078302791 243124682 /nfs/dbraw/zinc/12/46/82/243124682.db2.gz RKKSDGOCYOOYGB-KRWDZBQOSA-N 0 3 354.495 -0.690 20 0 FBADHN NC(=O)CN(CC(N)=O)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078451961 243120600 /nfs/dbraw/zinc/12/06/00/243120600.db2.gz LKGBLCNMFQNWLI-ZDUSSCGKSA-N 0 3 350.394 -0.163 20 0 FBADHN NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078451968 243122629 /nfs/dbraw/zinc/12/26/29/243122629.db2.gz LKGBLCNMFQNWLI-CYBMUJFWSA-N 0 3 350.394 -0.163 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000078492699 484729254 /nfs/dbraw/zinc/72/92/54/484729254.db2.gz XIRIJGFQWCNCBK-UHFFFAOYSA-N 0 3 365.522 -0.173 20 0 FBADHN CN(C)[C@@H]1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000078642548 243122346 /nfs/dbraw/zinc/12/23/46/243122346.db2.gz JFWIJJMTPYJBTG-HZPDHXFCSA-N 0 3 372.535 -0.656 20 0 FBADHN CN(C)[C@H]1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000078642551 536136369 /nfs/dbraw/zinc/13/63/69/536136369.db2.gz JFWIJJMTPYJBTG-JKSUJKDBSA-N 0 3 372.535 -0.656 20 0 FBADHN OCCN1CCN(Cc2cccc(CN3CCN(CCO)CC3)c2)CC1 ZINC000078659509 243125314 /nfs/dbraw/zinc/12/53/14/243125314.db2.gz WQIRBOWVRYDCRW-UHFFFAOYSA-N 0 3 362.518 -0.094 20 0 FBADHN COc1cccc([C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)N(C)C)c1 ZINC000078659719 243126373 /nfs/dbraw/zinc/12/63/73/243126373.db2.gz FMUZHHFJMTZXIW-HNNXBMFYSA-N 0 3 360.414 -0.025 20 0 FBADHN COc1cccc([C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)N(C)C)c1 ZINC000078659724 243127293 /nfs/dbraw/zinc/12/72/93/243127293.db2.gz FMUZHHFJMTZXIW-OAHLLOKOSA-N 0 3 360.414 -0.025 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1 ZINC000078713638 243128140 /nfs/dbraw/zinc/12/81/40/243128140.db2.gz GFUNSIQPMNKZCT-CYBMUJFWSA-N 0 3 354.476 -0.040 20 0 FBADHN CCN1CCN(CCCNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000078726932 483884900 /nfs/dbraw/zinc/88/49/00/483884900.db2.gz ZYHHPFKWRQFVQF-UHFFFAOYSA-N 0 3 364.494 -0.085 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000078959777 243129373 /nfs/dbraw/zinc/12/93/73/243129373.db2.gz KINBYVSDFXNEOA-AWEZNQCLSA-N 0 3 363.466 -0.586 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000078959778 243127910 /nfs/dbraw/zinc/12/79/10/243127910.db2.gz KINBYVSDFXNEOA-CQSZACIVSA-N 0 3 363.466 -0.586 20 0 FBADHN CN1CCN(CCCNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000079059273 483889790 /nfs/dbraw/zinc/88/97/90/483889790.db2.gz KBZCVGJAPJNECK-KRWDZBQOSA-N 0 3 372.473 -0.140 20 0 FBADHN CN1CCN(CCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000079059281 483750947 /nfs/dbraw/zinc/75/09/47/483750947.db2.gz KBZCVGJAPJNECK-QGZVFWFLSA-N 0 3 372.473 -0.140 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NC2CCN(CCN(C)C)CC2)CC1 ZINC000079167471 484800522 /nfs/dbraw/zinc/80/05/22/484800522.db2.gz UURZEPDGMTTYOR-UHFFFAOYSA-N 0 3 368.526 -0.524 20 0 FBADHN C[C@@H]1CN(C2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)CCO1 ZINC000079491175 483892918 /nfs/dbraw/zinc/89/29/18/483892918.db2.gz UARZBPFICKMHNW-CABCVRRESA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@H]1CN(C2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)CCO1 ZINC000079491179 483893280 /nfs/dbraw/zinc/89/32/80/483893280.db2.gz UARZBPFICKMHNW-GJZGRUSLSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(Cc2ccc(CNC(=O)c3cn(CC(N)=O)nn3)cc2)CC1 ZINC000079563088 484809069 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/nfs/dbraw/zinc/12/76/21/243127621.db2.gz WFEMHCOCKQDXSM-CHWSQXEVSA-N 0 3 357.480 -0.065 20 0 FBADHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088579320 243127618 /nfs/dbraw/zinc/12/76/18/243127618.db2.gz WFEMHCOCKQDXSM-CHWSQXEVSA-N 0 3 357.480 -0.065 20 0 FBADHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088579321 243125649 /nfs/dbraw/zinc/12/56/49/243125649.db2.gz WFEMHCOCKQDXSM-QWHCGFSZSA-N 0 3 357.480 -0.065 20 0 FBADHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088579321 243125640 /nfs/dbraw/zinc/12/56/40/243125640.db2.gz WFEMHCOCKQDXSM-QWHCGFSZSA-N 0 3 357.480 -0.065 20 0 FBADHN CCC[NH+]1CCC(CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000088586491 483781059 /nfs/dbraw/zinc/78/10/59/483781059.db2.gz BROUEDLODGQCIL-UHFFFAOYSA-N 0 3 357.480 -0.063 20 0 FBADHN CC(C)C[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000088587604 535067419 /nfs/dbraw/zinc/06/74/19/535067419.db2.gz PIEVNAPWLMUNJB-UHFFFAOYSA-N 0 3 357.480 -0.065 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000088587938 243129098 /nfs/dbraw/zinc/12/90/98/243129098.db2.gz SNVCYGVUSDDCIH-GFCCVEGCSA-N 0 3 355.464 -0.169 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000088587938 243129091 /nfs/dbraw/zinc/12/90/91/243129091.db2.gz SNVCYGVUSDDCIH-GFCCVEGCSA-N 0 3 355.464 -0.169 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000088587939 243126250 /nfs/dbraw/zinc/12/62/50/243126250.db2.gz SNVCYGVUSDDCIH-LBPRGKRZSA-N 0 3 355.464 -0.169 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000088587939 243126242 /nfs/dbraw/zinc/12/62/42/243126242.db2.gz SNVCYGVUSDDCIH-LBPRGKRZSA-N 0 3 355.464 -0.169 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000088588145 243125722 /nfs/dbraw/zinc/12/57/22/243125722.db2.gz PJPNJEATWJBVMM-ZDUSSCGKSA-N 0 3 355.464 -0.215 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000088588148 243127724 /nfs/dbraw/zinc/12/77/24/243127724.db2.gz PJPNJEATWJBVMM-CYBMUJFWSA-N 0 3 355.464 -0.215 20 0 FBADHN CC[NH+]1CCC(CCNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000088592784 535447107 /nfs/dbraw/zinc/44/71/07/535447107.db2.gz XEBSTVJZCZRRDA-UHFFFAOYSA-N 0 3 357.480 -0.063 20 0 FBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000088595608 243128169 /nfs/dbraw/zinc/12/81/69/243128169.db2.gz CPQYBHAMQGNYRS-HNNXBMFYSA-N 0 3 360.524 -0.104 20 0 FBADHN C[C@H](C(=O)N1CCCC1)N1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000088595610 243128255 /nfs/dbraw/zinc/12/82/55/243128255.db2.gz CPQYBHAMQGNYRS-OAHLLOKOSA-N 0 3 360.524 -0.104 20 0 FBADHN CC1CC[NH+](CCCNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000088636335 243126621 /nfs/dbraw/zinc/12/66/21/243126621.db2.gz BQYLKQCHFCNKSO-UHFFFAOYSA-N 0 3 357.480 -0.063 20 0 FBADHN CC(C)[N@H+]1CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088655740 243128973 /nfs/dbraw/zinc/12/89/73/243128973.db2.gz NNBLWEVFYCUILW-CYBMUJFWSA-N 0 3 357.480 -0.065 20 0 FBADHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088655740 243128967 /nfs/dbraw/zinc/12/89/67/243128967.db2.gz NNBLWEVFYCUILW-CYBMUJFWSA-N 0 3 357.480 -0.065 20 0 FBADHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088655741 243128302 /nfs/dbraw/zinc/12/83/02/243128302.db2.gz NNBLWEVFYCUILW-ZDUSSCGKSA-N 0 3 357.480 -0.065 20 0 FBADHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088655741 243128296 /nfs/dbraw/zinc/12/82/96/243128296.db2.gz NNBLWEVFYCUILW-ZDUSSCGKSA-N 0 3 357.480 -0.065 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000088686198 485234709 /nfs/dbraw/zinc/23/47/09/485234709.db2.gz ZIYFWFZVLGBXPB-BFHYXJOUSA-N 0 3 367.475 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000088686198 485234705 /nfs/dbraw/zinc/23/47/05/485234705.db2.gz ZIYFWFZVLGBXPB-BFHYXJOUSA-N 0 3 367.475 -0.359 20 0 FBADHN CC[N@H+]1CC[C@H](N(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000088686424 243126598 /nfs/dbraw/zinc/12/65/98/243126598.db2.gz NMYQDPRRQXGULM-OLZOCXBDSA-N 0 3 357.480 -0.113 20 0 FBADHN CC[N@@H+]1CC[C@H](N(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000088686424 243126590 /nfs/dbraw/zinc/12/65/90/243126590.db2.gz NMYQDPRRQXGULM-OLZOCXBDSA-N 0 3 357.480 -0.113 20 0 FBADHN CC[N@H+]1CC[C@@H](N(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000088686425 243128384 /nfs/dbraw/zinc/12/83/84/243128384.db2.gz NMYQDPRRQXGULM-CHWSQXEVSA-N 0 3 357.480 -0.113 20 0 FBADHN CC[N@@H+]1CC[C@@H](N(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000088686425 243128380 /nfs/dbraw/zinc/12/83/80/243128380.db2.gz NMYQDPRRQXGULM-CHWSQXEVSA-N 0 3 357.480 -0.113 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000088698310 535865551 /nfs/dbraw/zinc/86/55/51/535865551.db2.gz AOTCAYZWHLQZCV-UHFFFAOYSA-N 0 3 369.447 -0.118 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CCN(C)C1CCN(C)CC1 ZINC000089269515 485003919 /nfs/dbraw/zinc/00/39/19/485003919.db2.gz KCEAPDVJCMWCPN-LSDHHAIUSA-N 0 3 374.551 -0.364 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CCN(C)C1CCN(C)CC1 ZINC000089269516 485003713 /nfs/dbraw/zinc/00/37/13/485003713.db2.gz KCEAPDVJCMWCPN-HUUCEWRRSA-N 0 3 374.551 -0.364 20 0 FBADHN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CCN(C)C1CCN(C)CC1 ZINC000089269517 485003776 /nfs/dbraw/zinc/00/37/76/485003776.db2.gz KCEAPDVJCMWCPN-GJZGRUSLSA-N 0 3 374.551 -0.364 20 0 FBADHN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CCN(C)C1CCN(C)CC1 ZINC000089269518 485003983 /nfs/dbraw/zinc/00/39/83/485003983.db2.gz KCEAPDVJCMWCPN-CABCVRRESA-N 0 3 374.551 -0.364 20 0 FBADHN Cc1cccc(CN2CCN(C(=O)CN3CCN(C(=O)CO)CC3)CC2)c1 ZINC000089423112 243125559 /nfs/dbraw/zinc/12/55/59/243125559.db2.gz YUQSGMGCIKLGEM-UHFFFAOYSA-N 0 3 374.485 -0.224 20 0 FBADHN Cc1ccccc1CN1CCN(C(=O)CN2CCN(C(=O)CO)CC2)CC1 ZINC000089423244 243126117 /nfs/dbraw/zinc/12/61/17/243126117.db2.gz RUFIVIRVTJJNJM-UHFFFAOYSA-N 0 3 374.485 -0.224 20 0 FBADHN CN(CCN1CCCC1)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000089898614 484037275 /nfs/dbraw/zinc/03/72/75/484037275.db2.gz VICWRXWOKCACFQ-MRXNPFEDSA-N 0 3 372.535 -0.655 20 0 FBADHN CN(CCN1CCCC1)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000089898615 484037394 /nfs/dbraw/zinc/03/73/94/484037394.db2.gz VICWRXWOKCACFQ-INIZCTEOSA-N 0 3 372.535 -0.655 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN(C)CCN2CCCC2)c(=O)[nH]c1=O ZINC000089899772 485019764 /nfs/dbraw/zinc/01/97/64/485019764.db2.gz YHOGJFDTYIRZET-UHFFFAOYSA-N 0 3 351.451 -0.015 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1=O ZINC000089961883 243126836 /nfs/dbraw/zinc/12/68/36/243126836.db2.gz PTZXUVINWUUFJB-HOTGVXAUSA-N 0 3 372.425 -0.701 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1=O ZINC000089961884 243126805 /nfs/dbraw/zinc/12/68/05/243126805.db2.gz PTZXUVINWUUFJB-CVEARBPZSA-N 0 3 372.425 -0.701 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1=O ZINC000089961885 243125350 /nfs/dbraw/zinc/12/53/50/243125350.db2.gz PTZXUVINWUUFJB-JKSUJKDBSA-N 0 3 372.425 -0.701 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1=O ZINC000089961886 243126054 /nfs/dbraw/zinc/12/60/54/243126054.db2.gz PTZXUVINWUUFJB-HZPDHXFCSA-N 0 3 372.425 -0.701 20 0 FBADHN Cn1cc(/C=C/C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c(=O)n(C)c1=O ZINC000090464996 243128015 /nfs/dbraw/zinc/12/80/15/243128015.db2.gz HGWDOJTXWKSZQQ-WLBISTCBSA-N 0 3 362.430 -0.533 20 0 FBADHN Cn1cc(/C=C/C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)c(=O)n(C)c1=O ZINC000090464997 243128909 /nfs/dbraw/zinc/12/89/09/243128909.db2.gz HGWDOJTXWKSZQQ-CNBITHIKSA-N 0 3 362.430 -0.533 20 0 FBADHN COCCCOCCN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000091102254 243131452 /nfs/dbraw/zinc/13/14/52/243131452.db2.gz YZFLZYBZNFEZJQ-UHFFFAOYSA-N 0 3 353.423 -0.581 20 0 FBADHN CCOc1ccnc(N2CCCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)n1 ZINC000091959550 535556358 /nfs/dbraw/zinc/55/63/58/535556358.db2.gz ZXXAUMXTHRQTNV-UHFFFAOYSA-N 0 3 374.445 -0.015 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092649700 535529161 /nfs/dbraw/zinc/52/91/61/535529161.db2.gz IFJBTWURRYHOPX-UHFFFAOYSA-N 0 3 360.418 -0.033 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1CC1 ZINC000092649709 484040539 /nfs/dbraw/zinc/04/05/39/484040539.db2.gz SQJKMLADFIIZFH-HNNXBMFYSA-N 0 3 372.429 -0.034 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1CC1 ZINC000092649710 484041300 /nfs/dbraw/zinc/04/13/00/484041300.db2.gz SQJKMLADFIIZFH-OAHLLOKOSA-N 0 3 372.429 -0.034 20 0 FBADHN CN(CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1CC1 ZINC000092649719 484041073 /nfs/dbraw/zinc/04/10/73/484041073.db2.gz DWJOWNBNSNDPKI-UHFFFAOYSA-N 0 3 358.402 -0.280 20 0 FBADHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092649732 485091580 /nfs/dbraw/zinc/09/15/80/485091580.db2.gz CZKPIBKDUGIQGU-UHFFFAOYSA-N 0 3 360.418 -0.034 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1=O ZINC000092698831 243132778 /nfs/dbraw/zinc/13/27/78/243132778.db2.gz DYVBHCNMVXCCDM-CYBMUJFWSA-N 0 3 372.429 -0.080 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1=O ZINC000092698832 535879324 /nfs/dbraw/zinc/87/93/24/535879324.db2.gz DYVBHCNMVXCCDM-ZDUSSCGKSA-N 0 3 372.429 -0.080 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000092842250 484043784 /nfs/dbraw/zinc/04/37/84/484043784.db2.gz JWRQKIVYSNWOMM-OAHLLOKOSA-N 0 3 358.508 -0.257 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000092842251 484043379 /nfs/dbraw/zinc/04/33/79/484043379.db2.gz JWRQKIVYSNWOMM-HNNXBMFYSA-N 0 3 358.508 -0.257 20 0 FBADHN Nc1nc(-n2cccn2)cc(N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000092895027 484042916 /nfs/dbraw/zinc/04/29/16/484042916.db2.gz KMXQIAOWPBVBTR-UHFFFAOYSA-N 0 3 356.434 -0.011 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(-n3cccn3)nc(N)n2)CC1 ZINC000092922841 483800907 /nfs/dbraw/zinc/80/09/07/483800907.db2.gz VHIQVESNCFQUPB-CYBMUJFWSA-N 0 3 356.434 -0.013 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(-n3cccn3)nc(N)n2)CC1 ZINC000092922843 484043064 /nfs/dbraw/zinc/04/30/64/484043064.db2.gz VHIQVESNCFQUPB-ZDUSSCGKSA-N 0 3 356.434 -0.013 20 0 FBADHN CCN(CC)CC(=O)N1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000093046115 243131331 /nfs/dbraw/zinc/13/13/31/243131331.db2.gz QKYYOYWBQWDAQZ-UHFFFAOYSA-N 0 3 351.451 -0.930 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NCC2CCN(c3ccncc3)CC2)c1=O ZINC000093065044 243132837 /nfs/dbraw/zinc/13/28/37/243132837.db2.gz COADHWRKGWSAOQ-UHFFFAOYSA-N 0 3 357.414 -0.025 20 0 FBADHN Cn1c(=O)ccn(CC(=O)Nc2cnn(CCN3CCCCC3)c2)c1=O ZINC000093079523 484043520 /nfs/dbraw/zinc/04/35/20/484043520.db2.gz YMNONWSBZFVGTD-UHFFFAOYSA-N 0 3 360.418 -0.132 20 0 FBADHN CN(Cc1cnc(N2CCN(C)CC2)nc1)C[C@H](O)CN1CCOCC1 ZINC000093583718 485113657 /nfs/dbraw/zinc/11/36/57/485113657.db2.gz WKSGNJGDEXEGQG-KRWDZBQOSA-N 0 3 364.494 -0.647 20 0 FBADHN 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CN(C)Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000101638584 535995427 /nfs/dbraw/zinc/99/54/27/535995427.db2.gz YEAQFUVKKSMQQT-UHFFFAOYSA-N 0 3 357.418 -0.281 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC([NH+](C)C)CC2)cn1C ZINC000101640744 483875142 /nfs/dbraw/zinc/87/51/42/483875142.db2.gz TYFQOQDJFSHMNW-UHFFFAOYSA-N 0 3 357.480 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H](C2CC2)[NH+](C)C)cn1C ZINC000101648646 483875090 /nfs/dbraw/zinc/87/50/90/483875090.db2.gz RZFQSQDPNJNXFE-ZDUSSCGKSA-N 0 3 357.480 -0.147 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H](C2CC2)[NH+](C)C)cn1C ZINC000101648650 483875010 /nfs/dbraw/zinc/87/50/10/483875010.db2.gz RZFQSQDPNJNXFE-CYBMUJFWSA-N 0 3 357.480 -0.147 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC2CC[NH+](C)CC2)cn1C ZINC000101675781 483875544 /nfs/dbraw/zinc/87/55/44/483875544.db2.gz PNOWDCLGMZPCQI-UHFFFAOYSA-N 0 3 357.480 -0.145 20 0 FBADHN CCN1CCN(CCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000101686387 483875349 /nfs/dbraw/zinc/87/53/49/483875349.db2.gz NREXXNKFQRLHBO-UHFFFAOYSA-N 0 3 359.430 -0.557 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000101687626 483875629 /nfs/dbraw/zinc/87/56/29/483875629.db2.gz OAOPIAWEMTUPLV-AWEZNQCLSA-N 0 3 373.457 -0.168 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000101687630 483875313 /nfs/dbraw/zinc/87/53/13/483875313.db2.gz OAOPIAWEMTUPLV-CQSZACIVSA-N 0 3 373.457 -0.168 20 0 FBADHN C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)CN1CCN(C)CC1 ZINC000101690050 483875972 /nfs/dbraw/zinc/87/59/72/483875972.db2.gz GPKBIFADHUJGDQ-AWEZNQCLSA-N 0 3 373.457 -0.311 20 0 FBADHN C[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)CN1CCN(C)CC1 ZINC000101690053 483876027 /nfs/dbraw/zinc/87/60/27/483876027.db2.gz GPKBIFADHUJGDQ-CQSZACIVSA-N 0 3 373.457 -0.311 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000101690685 483876016 /nfs/dbraw/zinc/87/60/16/483876016.db2.gz AJBVEQKBDLAMJZ-HNNXBMFYSA-N 0 3 360.524 -0.893 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000101690688 483875940 /nfs/dbraw/zinc/87/59/40/483875940.db2.gz AJBVEQKBDLAMJZ-OAHLLOKOSA-N 0 3 360.524 -0.893 20 0 FBADHN CN(CCN(C)C1CCN(C)CC1)C(=O)CN1CCS(=O)(=O)CC1 ZINC000101691721 483875983 /nfs/dbraw/zinc/87/59/83/483875983.db2.gz MBFBATYNHTYWDF-UHFFFAOYSA-N 0 3 360.524 -0.799 20 0 FBADHN CC[N@@H+](CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1 ZINC000101958718 243135543 /nfs/dbraw/zinc/13/55/43/243135543.db2.gz QCMBAMQFFNDGAA-UHFFFAOYSA-N 0 3 359.224 -0.100 20 0 FBADHN CC[N@H+](CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1 ZINC000101958718 243135535 /nfs/dbraw/zinc/13/55/35/243135535.db2.gz QCMBAMQFFNDGAA-UHFFFAOYSA-N 0 3 359.224 -0.100 20 0 FBADHN C[C@@H](Cn1cncn1)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000102047616 243135131 /nfs/dbraw/zinc/13/51/31/243135131.db2.gz CAAILIHZKQXYEZ-UONOGXRCSA-N 0 3 351.455 -0.092 20 0 FBADHN C[C@H](Cn1cncn1)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000102047621 243138245 /nfs/dbraw/zinc/13/82/45/243138245.db2.gz 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CC(=O)[C@H](NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000103150765 484472314 /nfs/dbraw/zinc/47/23/14/484472314.db2.gz FNIXASPTGYXCCE-GOSISDBHSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150826 484472362 /nfs/dbraw/zinc/47/23/62/484472362.db2.gz DPWLBEWCWFBWGP-ZDUSSCGKSA-N 0 3 362.482 -0.179 20 0 FBADHN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150827 484472055 /nfs/dbraw/zinc/47/20/55/484472055.db2.gz DPWLBEWCWFBWGP-CYBMUJFWSA-N 0 3 362.482 -0.179 20 0 FBADHN CCn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000103162538 484582167 /nfs/dbraw/zinc/58/21/67/484582167.db2.gz GETHBNBYMUYVKT-UHFFFAOYSA-N 0 3 355.464 -0.168 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1C ZINC000103162564 484582712 /nfs/dbraw/zinc/58/27/12/484582712.db2.gz LUZZOFUGODREEK-UHFFFAOYSA-N 0 3 355.464 -0.343 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103162625 484582399 /nfs/dbraw/zinc/58/23/99/484582399.db2.gz 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/nfs/dbraw/zinc/89/44/43/483894443.db2.gz QFOYLHNSEBLRJK-UHFFFAOYSA-N 0 3 362.434 -0.622 20 0 FBADHN CCN1CCN(CCNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000112918096 535700048 /nfs/dbraw/zinc/70/00/48/535700048.db2.gz AJYARXAWGQDVLQ-UHFFFAOYSA-N 0 3 373.457 -0.166 20 0 FBADHN CCN1CCN(CCNC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)CC1 ZINC000112918179 243155079 /nfs/dbraw/zinc/15/50/79/243155079.db2.gz QQOHGZCBURKWLF-UHFFFAOYSA-N 0 3 372.473 -0.002 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1C ZINC000113228660 243156308 /nfs/dbraw/zinc/15/63/08/243156308.db2.gz RBXOUEFPBWGLCS-AAEUAGOBSA-N 0 3 355.464 -0.298 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cn1C ZINC000113228660 243156302 /nfs/dbraw/zinc/15/63/02/243156302.db2.gz RBXOUEFPBWGLCS-AAEUAGOBSA-N 0 3 355.464 -0.298 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1C ZINC000113228661 243155385 /nfs/dbraw/zinc/15/53/85/243155385.db2.gz RBXOUEFPBWGLCS-WCQYABFASA-N 0 3 355.464 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/nfs/dbraw/zinc/15/61/30/484156130.db2.gz MRGMCNPRVGCYER-RDJZCZTQSA-N 0 3 365.522 -0.176 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cn1C ZINC000115438712 243158956 /nfs/dbraw/zinc/15/89/56/243158956.db2.gz WMGFWFUFFPDCPU-CYBMUJFWSA-N 0 3 357.480 -0.193 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cn1C ZINC000115438712 243158950 /nfs/dbraw/zinc/15/89/50/243158950.db2.gz WMGFWFUFFPDCPU-CYBMUJFWSA-N 0 3 357.480 -0.193 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cn1C ZINC000115438715 243161054 /nfs/dbraw/zinc/16/10/54/243161054.db2.gz WMGFWFUFFPDCPU-ZDUSSCGKSA-N 0 3 357.480 -0.193 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cn1C ZINC000115438715 243161045 /nfs/dbraw/zinc/16/10/45/243161045.db2.gz WMGFWFUFFPDCPU-ZDUSSCGKSA-N 0 3 357.480 -0.193 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000115441169 243162006 /nfs/dbraw/zinc/16/20/06/243162006.db2.gz ZHTVRCWXOPSMAO-GFCCVEGCSA-N 0 3 362.434 -0.766 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000115441171 243160726 /nfs/dbraw/zinc/16/07/26/243160726.db2.gz ZHTVRCWXOPSMAO-LBPRGKRZSA-N 0 3 362.434 -0.766 20 0 FBADHN CN1CCN(Cc2ccc(CNC(=O)CCNS(C)(=O)=O)cc2)CC1 ZINC000115669769 484160517 /nfs/dbraw/zinc/16/05/17/484160517.db2.gz CYYAYKLXKFQUDR-UHFFFAOYSA-N 0 3 368.503 -0.011 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1C ZINC000116497183 243160639 /nfs/dbraw/zinc/16/06/39/243160639.db2.gz SDVGJTQMMRHWEJ-CHWSQXEVSA-N 0 3 355.464 -0.250 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1C ZINC000116497183 243160633 /nfs/dbraw/zinc/16/06/33/243160633.db2.gz SDVGJTQMMRHWEJ-CHWSQXEVSA-N 0 3 355.464 -0.250 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cn1C ZINC000116497186 484502479 /nfs/dbraw/zinc/50/24/79/484502479.db2.gz SDVGJTQMMRHWEJ-QWHCGFSZSA-N 0 3 355.464 -0.250 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1C ZINC000116497186 484502473 /nfs/dbraw/zinc/50/24/73/484502473.db2.gz SDVGJTQMMRHWEJ-QWHCGFSZSA-N 0 3 355.464 -0.250 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CCn1nc2ccccn2c1=O ZINC000116758668 484786550 /nfs/dbraw/zinc/78/65/50/484786550.db2.gz YSAPERCEYMXJOO-UHFFFAOYSA-N 0 3 360.462 -0.018 20 0 FBADHN C[C@@H](CNC(=O)CCn1nc2ccccn2c1=O)CN1CCN(C)CC1 ZINC000116762890 485145350 /nfs/dbraw/zinc/14/53/50/485145350.db2.gz STZXADXUBKRTKF-HNNXBMFYSA-N 0 3 360.462 -0.114 20 0 FBADHN C[C@H](CNC(=O)CCn1nc2ccccn2c1=O)CN1CCN(C)CC1 ZINC000116762893 485145273 /nfs/dbraw/zinc/14/52/73/485145273.db2.gz STZXADXUBKRTKF-OAHLLOKOSA-N 0 3 360.462 -0.114 20 0 FBADHN COCCOC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000116884193 485205364 /nfs/dbraw/zinc/20/53/64/485205364.db2.gz IMOUNAGWRQTQGX-UHFFFAOYSA-N 0 3 365.434 -0.439 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000117035343 535945791 /nfs/dbraw/zinc/94/57/91/535945791.db2.gz CZMLGMZQZISRMR-CQSZACIVSA-N 0 3 366.466 -0.257 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000117035346 535968001 /nfs/dbraw/zinc/96/80/01/535968001.db2.gz CZMLGMZQZISRMR-AWEZNQCLSA-N 0 3 366.466 -0.257 20 0 FBADHN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCC(O)CC1 ZINC000118722570 485219161 /nfs/dbraw/zinc/21/91/61/485219161.db2.gz BWUOEKBWPLBQBN-UHFFFAOYSA-N 0 3 360.414 -0.347 20 0 FBADHN CNC(=O)CN1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000118771224 243159595 /nfs/dbraw/zinc/15/95/95/243159595.db2.gz HDKSVZKPTRQBMY-UHFFFAOYSA-N 0 3 352.479 -0.088 20 0 FBADHN CCN1CCCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000118826179 243161346 /nfs/dbraw/zinc/16/13/46/243161346.db2.gz DTVBUVPJFZGNJT-UHFFFAOYSA-N 0 3 365.478 -0.005 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](N2CCCC2)C1 ZINC000118828575 243159315 /nfs/dbraw/zinc/15/93/15/243159315.db2.gz JCFLGJAFNIQKAG-STQMWFEESA-N 0 3 363.462 -0.202 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](N2CCCC2)C1 ZINC000118828577 243159107 /nfs/dbraw/zinc/15/91/07/243159107.db2.gz JCFLGJAFNIQKAG-OLZOCXBDSA-N 0 3 363.462 -0.202 20 0 FBADHN CCCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(=O)NC ZINC000118832391 243165899 /nfs/dbraw/zinc/16/58/99/243165899.db2.gz NMSPRMSKLHYPJO-UHFFFAOYSA-N 0 3 350.423 -0.718 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000118841749 243164165 /nfs/dbraw/zinc/16/41/65/243164165.db2.gz YWTHOQWZLQOSNC-NWDGAFQWSA-N 0 3 351.451 -0.489 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000118841751 243165283 /nfs/dbraw/zinc/16/52/83/243165283.db2.gz YWTHOQWZLQOSNC-VXGBXAGGSA-N 0 3 351.451 -0.489 20 0 FBADHN Cn1c2ncn(CCN3CCC[C@H](Cn4ccnn4)C3)c2c(=O)n(C)c1=O ZINC000119201171 243163467 /nfs/dbraw/zinc/16/34/67/243163467.db2.gz HREQOHIOMODKOP-ZDUSSCGKSA-N 0 3 372.433 -0.563 20 0 FBADHN Cn1c2ncn(CCN3CCC[C@@H](Cn4ccnn4)C3)c2c(=O)n(C)c1=O ZINC000119201265 243165690 /nfs/dbraw/zinc/16/56/90/243165690.db2.gz HREQOHIOMODKOP-CYBMUJFWSA-N 0 3 372.433 -0.563 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)co1 ZINC000119396809 485228239 /nfs/dbraw/zinc/22/82/39/485228239.db2.gz DTLZEEVXZHWLCE-UHFFFAOYSA-N 0 3 358.464 -0.055 20 0 FBADHN CCCN(CCN(CC)CC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000119400236 243165618 /nfs/dbraw/zinc/16/56/18/243165618.db2.gz OQPSJIPVYUKXNP-UHFFFAOYSA-N 0 3 360.480 -0.174 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cn1C ZINC000119467022 485231908 /nfs/dbraw/zinc/23/19/08/485231908.db2.gz NKOBOWHJNVOHRC-KBPBESRZSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1C ZINC000119467022 485231906 /nfs/dbraw/zinc/23/19/06/485231906.db2.gz NKOBOWHJNVOHRC-KBPBESRZSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1C ZINC000119467178 485231782 /nfs/dbraw/zinc/23/17/82/485231782.db2.gz NKOBOWHJNVOHRC-KGLIPLIRSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1C ZINC000119467178 485231778 /nfs/dbraw/zinc/23/17/78/485231778.db2.gz NKOBOWHJNVOHRC-KGLIPLIRSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1C ZINC000119467304 485231993 /nfs/dbraw/zinc/23/19/93/485231993.db2.gz NKOBOWHJNVOHRC-UONOGXRCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1C ZINC000119467304 485231990 /nfs/dbraw/zinc/23/19/90/485231990.db2.gz NKOBOWHJNVOHRC-UONOGXRCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1C ZINC000119467446 485232330 /nfs/dbraw/zinc/23/23/30/485232330.db2.gz NKOBOWHJNVOHRC-ZIAGYGMSSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1C ZINC000119467446 485232326 /nfs/dbraw/zinc/23/23/26/485232326.db2.gz NKOBOWHJNVOHRC-ZIAGYGMSSA-N 0 3 369.491 -0.050 20 0 FBADHN CC[NH+]1CCN(CCCNC(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1 ZINC000119476802 485231823 /nfs/dbraw/zinc/23/18/23/485231823.db2.gz NITURWMJTJNRQB-UHFFFAOYSA-N 0 3 358.464 -0.055 20 0 FBADHN C[C@@H]1CCCN(S(=O)(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000119518483 485231846 /nfs/dbraw/zinc/23/18/46/485231846.db2.gz KMBOEDGWVYTKLY-MRXNPFEDSA-N 0 3 362.540 -0.057 20 0 FBADHN C[C@H]1CCCN(S(=O)(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000119518580 485232635 /nfs/dbraw/zinc/23/26/35/485232635.db2.gz KMBOEDGWVYTKLY-INIZCTEOSA-N 0 3 362.540 -0.057 20 0 FBADHN CCc1nncn1CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000119539066 483501119 /nfs/dbraw/zinc/50/11/19/483501119.db2.gz OWSISTVCMZPIGL-AWEZNQCLSA-N 0 3 363.466 -0.212 20 0 FBADHN CCc1nncn1CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000119539089 483500557 /nfs/dbraw/zinc/50/05/57/483500557.db2.gz OWSISTVCMZPIGL-CQSZACIVSA-N 0 3 363.466 -0.212 20 0 FBADHN CC(C)NC(=O)CN1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000119697330 485234685 /nfs/dbraw/zinc/23/46/85/485234685.db2.gz AZAKOAPFZFDCRI-UHFFFAOYSA-N 0 3 365.522 -0.128 20 0 FBADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000119756927 535134697 /nfs/dbraw/zinc/13/46/97/535134697.db2.gz GBRMUXLMYSDPOH-CYBMUJFWSA-N 0 3 357.480 -0.208 20 0 FBADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000119756927 535134692 /nfs/dbraw/zinc/13/46/92/535134692.db2.gz GBRMUXLMYSDPOH-CYBMUJFWSA-N 0 3 357.480 -0.208 20 0 FBADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000119757125 535130080 /nfs/dbraw/zinc/13/00/80/535130080.db2.gz GBRMUXLMYSDPOH-ZDUSSCGKSA-N 0 3 357.480 -0.208 20 0 FBADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000119757125 535130079 /nfs/dbraw/zinc/13/00/79/535130079.db2.gz GBRMUXLMYSDPOH-ZDUSSCGKSA-N 0 3 357.480 -0.208 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000119843738 485236208 /nfs/dbraw/zinc/23/62/08/485236208.db2.gz XQLXBBYNJFADRW-UHFFFAOYSA-N 0 3 357.480 -0.065 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1=O ZINC000119845060 243165670 /nfs/dbraw/zinc/16/56/70/243165670.db2.gz SHCYGOMTRUNFLE-MRXNPFEDSA-N 0 3 372.425 -0.918 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000119883646 485235707 /nfs/dbraw/zinc/23/57/07/485235707.db2.gz KVDJOIBPSPWFAV-BRWVUGGUSA-N 0 3 353.511 -0.016 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000119883800 243164089 /nfs/dbraw/zinc/16/40/89/243164089.db2.gz KVDJOIBPSPWFAV-YESZJQIVSA-N 0 3 353.511 -0.016 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000119883923 535711736 /nfs/dbraw/zinc/71/17/36/535711736.db2.gz KVDJOIBPSPWFAV-IXDOHACOSA-N 0 3 353.511 -0.016 20 0 FBADHN Cn1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 ZINC000120028833 243165324 /nfs/dbraw/zinc/16/53/24/243165324.db2.gz UAXNSEUIMNDBRM-OAHLLOKOSA-N 0 3 357.414 -0.106 20 0 FBADHN CN(C)CCn1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000120030115 485237290 /nfs/dbraw/zinc/23/72/90/485237290.db2.gz MVLFQWKWDHCKQM-UHFFFAOYSA-N 0 3 371.401 -0.357 20 0 FBADHN O=C(CN1CCCN(CCC(=O)N2CCOCC2)CC1)N1CCCC1 ZINC000120144214 243163847 /nfs/dbraw/zinc/16/38/47/243163847.db2.gz KJZPMGXIFWVTIJ-UHFFFAOYSA-N 0 3 352.479 -0.135 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN(C)C2CCC(CO)CC2)CC1 ZINC000120335636 485238609 /nfs/dbraw/zinc/23/86/09/485238609.db2.gz ORHVLAGLIUXDGQ-UHFFFAOYSA-N 0 3 354.495 -0.298 20 0 FBADHN CCc1n[nH]c(=O)c(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1CC ZINC000120417320 243164395 /nfs/dbraw/zinc/16/43/95/243164395.db2.gz RBDBEUMRAUTWMA-GFCCVEGCSA-N 0 3 363.462 -0.079 20 0 FBADHN CCc1n[nH]c(=O)c(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1CC ZINC000120417487 243164659 /nfs/dbraw/zinc/16/46/59/243164659.db2.gz RBDBEUMRAUTWMA-LBPRGKRZSA-N 0 3 363.462 -0.079 20 0 FBADHN CCN1CCN(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000120452726 485240260 /nfs/dbraw/zinc/24/02/60/485240260.db2.gz DKMJDWPDIIGVAM-GASCZTMLSA-N 0 3 350.463 -0.085 20 0 FBADHN CCN1CCN(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000120452874 485240565 /nfs/dbraw/zinc/24/05/65/485240565.db2.gz DKMJDWPDIIGVAM-HUUCEWRRSA-N 0 3 350.463 -0.085 20 0 FBADHN CCN1CCN(CCNC(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000120458944 843682928 /nfs/dbraw/zinc/68/29/28/843682928.db2.gz FQFCPYLAJGPXRU-UHFFFAOYSA-N 0 3 360.524 -0.198 20 0 FBADHN CCN(CC)CC(=O)N1CCN(Cn2nc(CO)n(C)c2=S)CC1 ZINC000120462901 661438420 /nfs/dbraw/zinc/43/84/20/661438420.db2.gz OXUJSHXGWLBMSH-UHFFFAOYSA-N 0 3 356.496 -0.113 20 0 FBADHN CCN1CCN(CCNC(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000120468255 485240396 /nfs/dbraw/zinc/24/03/96/485240396.db2.gz QTSBRHPUJLFVHL-UHFFFAOYSA-N 0 3 354.476 -0.038 20 0 FBADHN CCN1CCN(CCNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000120500178 485240898 /nfs/dbraw/zinc/24/08/98/485240898.db2.gz LFYUVJPHHJYHBP-OAHLLOKOSA-N 0 3 350.467 -0.344 20 0 FBADHN CCN1CCN(CCNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC000120500323 485240452 /nfs/dbraw/zinc/24/04/52/485240452.db2.gz LFYUVJPHHJYHBP-HNNXBMFYSA-N 0 3 350.467 -0.344 20 0 FBADHN Cn1c(CO)nn(CN2CCN(C(=O)CN3CCCC3)CC2)c1=S ZINC000120506239 661438829 /nfs/dbraw/zinc/43/88/29/661438829.db2.gz IDBOFPQMJYYMBH-UHFFFAOYSA-N 0 3 354.480 -0.359 20 0 FBADHN CCN1CCN(CCNC(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000120513302 485240737 /nfs/dbraw/zinc/24/07/37/485240737.db2.gz MSGALOJREJZGEB-UHFFFAOYSA-N 0 3 360.524 -0.054 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000120522089 484241014 /nfs/dbraw/zinc/24/10/14/484241014.db2.gz KTFYVOFUFYDMRL-NEPJUHHUSA-N 0 3 362.434 -0.768 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000120522238 484240949 /nfs/dbraw/zinc/24/09/49/484240949.db2.gz KTFYVOFUFYDMRL-RYUDHWBXSA-N 0 3 362.434 -0.768 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000120568221 485241816 /nfs/dbraw/zinc/24/18/16/485241816.db2.gz BZWJONSVQSMVEO-CHWSQXEVSA-N 0 3 357.480 -0.065 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000120568317 485241898 /nfs/dbraw/zinc/24/18/98/485241898.db2.gz BZWJONSVQSMVEO-QWHCGFSZSA-N 0 3 357.480 -0.065 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000120832452 243164706 /nfs/dbraw/zinc/16/47/06/243164706.db2.gz VDZMDWVSBGZDMC-NEPJUHHUSA-N 0 3 362.434 -0.768 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000120832589 243164342 /nfs/dbraw/zinc/16/43/42/243164342.db2.gz VDZMDWVSBGZDMC-RYUDHWBXSA-N 0 3 362.434 -0.768 20 0 FBADHN CN(C)[C@@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccccc1 ZINC000121073428 536127801 /nfs/dbraw/zinc/12/78/01/536127801.db2.gz CLVHIVCRTHEMQG-AWEZNQCLSA-N 0 3 351.432 -0.050 20 0 FBADHN CN(C)[C@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccccc1 ZINC000121073585 243165960 /nfs/dbraw/zinc/16/59/60/243165960.db2.gz CLVHIVCRTHEMQG-CQSZACIVSA-N 0 3 351.432 -0.050 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C[C@H](O)CN3CCCC3=O)CC2)CC1 ZINC000121298180 243164469 /nfs/dbraw/zinc/16/44/69/243164469.db2.gz AVEMGCWHCSXKDS-KRWDZBQOSA-N 0 3 366.506 -0.154 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000121298353 243165879 /nfs/dbraw/zinc/16/58/79/243165879.db2.gz AVEMGCWHCSXKDS-QGZVFWFLSA-N 0 3 366.506 -0.154 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000121299833 243162722 /nfs/dbraw/zinc/16/27/22/243162722.db2.gz ILBPBHCHAJDKDZ-SFHVURJKSA-N 0 3 368.522 -0.444 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC000121299980 243165131 /nfs/dbraw/zinc/16/51/31/243165131.db2.gz ILBPBHCHAJDKDZ-GOSISDBHSA-N 0 3 368.522 -0.444 20 0 FBADHN CN1CCN(C(=O)CC2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000121308447 243163960 /nfs/dbraw/zinc/16/39/60/243163960.db2.gz GBRWNPCOSNBJEV-UHFFFAOYSA-N 0 3 365.522 -0.364 20 0 FBADHN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)C1 ZINC000121433589 485247975 /nfs/dbraw/zinc/24/79/75/485247975.db2.gz KNBJKJBLUBPCCB-HIFRSBDPSA-N 0 3 350.463 -0.086 20 0 FBADHN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)C1 ZINC000121433743 485247993 /nfs/dbraw/zinc/24/79/93/485247993.db2.gz KNBJKJBLUBPCCB-ZFWWWQNUSA-N 0 3 350.463 -0.086 20 0 FBADHN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)C1 ZINC000121433888 485247180 /nfs/dbraw/zinc/24/71/80/485247180.db2.gz KNBJKJBLUBPCCB-UKRRQHHQSA-N 0 3 350.463 -0.086 20 0 FBADHN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)C1 ZINC000121434049 485247875 /nfs/dbraw/zinc/24/78/75/485247875.db2.gz KNBJKJBLUBPCCB-DZGCQCFKSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(CCn1nc2ccccn2c1=O)C1CCN(S(C)(=O)=O)CC1 ZINC000121615115 536414747 /nfs/dbraw/zinc/41/47/47/536414747.db2.gz DOJCMDDQYSLGMD-UHFFFAOYSA-N 0 3 353.448 -0.148 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)NC[C@H](C)CN1CCN(C)CC1)n1cccn1 ZINC000121731327 485248413 /nfs/dbraw/zinc/24/84/13/485248413.db2.gz LCCZMGGHTGDMOP-JKSUJKDBSA-N 0 3 364.494 -0.098 20 0 FBADHN C[C@H](CNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)CN1CCN(C)CC1 ZINC000121731482 485248522 /nfs/dbraw/zinc/24/85/22/485248522.db2.gz LCCZMGGHTGDMOP-HZPDHXFCSA-N 0 3 364.494 -0.098 20 0 FBADHN C[C@@H](CNC(=O)CN(C)C(=O)[C@H](C)n1cccn1)CN1CCN(C)CC1 ZINC000121731636 485248837 /nfs/dbraw/zinc/24/88/37/485248837.db2.gz LCCZMGGHTGDMOP-HOTGVXAUSA-N 0 3 364.494 -0.098 20 0 FBADHN C[C@H](CNC(=O)CN(C)C(=O)[C@H](C)n1cccn1)CN1CCN(C)CC1 ZINC000121731797 485248647 /nfs/dbraw/zinc/24/86/47/485248647.db2.gz LCCZMGGHTGDMOP-CVEARBPZSA-N 0 3 364.494 -0.098 20 0 FBADHN C[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)CN1CCN(C)CC1 ZINC000121861678 243166551 /nfs/dbraw/zinc/16/65/51/243166551.db2.gz MHDKFFKPZKDGBH-HNNXBMFYSA-N 0 3 364.494 -0.229 20 0 FBADHN C[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)CN1CCN(C)CC1 ZINC000121861822 243166520 /nfs/dbraw/zinc/16/65/20/243166520.db2.gz MHDKFFKPZKDGBH-OAHLLOKOSA-N 0 3 364.494 -0.229 20 0 FBADHN C[C@@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000121870644 485250265 /nfs/dbraw/zinc/25/02/65/485250265.db2.gz CJBSTGUYEAVROT-GJZGRUSLSA-N 0 3 360.524 -0.342 20 0 FBADHN C[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)CN1CCN(C)CC1 ZINC000121870807 485249606 /nfs/dbraw/zinc/24/96/06/485249606.db2.gz CJBSTGUYEAVROT-CABCVRRESA-N 0 3 360.524 -0.342 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000122265932 243170075 /nfs/dbraw/zinc/17/00/75/243170075.db2.gz UXMLIIYIVVIVIQ-HNNXBMFYSA-N 0 3 360.462 -0.114 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000122266180 535711847 /nfs/dbraw/zinc/71/18/47/535711847.db2.gz UXMLIIYIVVIVIQ-OAHLLOKOSA-N 0 3 360.462 -0.114 20 0 FBADHN Cn1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000122335784 243169902 /nfs/dbraw/zinc/16/99/02/243169902.db2.gz TUQTYHGCJZQAMV-VXGBXAGGSA-N 0 3 356.448 -0.811 20 0 FBADHN Cn1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000122336054 243167937 /nfs/dbraw/zinc/16/79/37/243167937.db2.gz TUQTYHGCJZQAMV-NEPJUHHUSA-N 0 3 356.448 -0.811 20 0 FBADHN CCCN(CCN(CC)CC)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000122530749 243170228 /nfs/dbraw/zinc/17/02/28/243170228.db2.gz FFGNTCXOXMHWSS-UHFFFAOYSA-N 0 3 353.467 -0.097 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000122566140 485255138 /nfs/dbraw/zinc/25/51/38/485255138.db2.gz 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ZINC000122774929 243168240 /nfs/dbraw/zinc/16/82/40/243168240.db2.gz PDSXRTBMQCNBHB-CQSZACIVSA-N 0 3 374.449 -0.087 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC000122866385 243168562 /nfs/dbraw/zinc/16/85/62/243168562.db2.gz YIICJNMWMCJLQC-VXGBXAGGSA-N 0 3 362.434 -0.625 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC000122866614 243167072 /nfs/dbraw/zinc/16/70/72/243167072.db2.gz YIICJNMWMCJLQC-NWDGAFQWSA-N 0 3 362.434 -0.625 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC000122866761 243168704 /nfs/dbraw/zinc/16/87/04/243168704.db2.gz YIICJNMWMCJLQC-NEPJUHHUSA-N 0 3 362.434 -0.625 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1C ZINC000122866970 243170102 /nfs/dbraw/zinc/17/01/02/243170102.db2.gz YIICJNMWMCJLQC-RYUDHWBXSA-N 0 3 362.434 -0.625 20 0 FBADHN OCCCN1CCN(c2cc(N3CCN(CCCO)CC3)ncn2)CC1 ZINC000123067087 485267608 /nfs/dbraw/zinc/26/76/08/485267608.db2.gz 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ZINC000123159377 243167702 /nfs/dbraw/zinc/16/77/02/243167702.db2.gz PPQNYJNQUSFIMS-CQSZACIVSA-N 0 3 369.491 -0.036 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1C ZINC000123180930 243166481 /nfs/dbraw/zinc/16/64/81/243166481.db2.gz GYNZUFOTOHQSTC-ZDUSSCGKSA-N 0 3 355.464 -0.344 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1C ZINC000123181130 243167517 /nfs/dbraw/zinc/16/75/17/243167517.db2.gz GYNZUFOTOHQSTC-CYBMUJFWSA-N 0 3 355.464 -0.344 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C ZINC000123701874 243167995 /nfs/dbraw/zinc/16/79/95/243167995.db2.gz QLKBHQZURZDVTM-VXGBXAGGSA-N 0 3 362.434 -0.625 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C ZINC000123702060 243170602 /nfs/dbraw/zinc/17/06/02/243170602.db2.gz QLKBHQZURZDVTM-NWDGAFQWSA-N 0 3 362.434 -0.625 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C ZINC000123702184 243168287 /nfs/dbraw/zinc/16/82/87/243168287.db2.gz QLKBHQZURZDVTM-NEPJUHHUSA-N 0 3 362.434 -0.625 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN1C ZINC000123702387 243169468 /nfs/dbraw/zinc/16/94/68/243169468.db2.gz QLKBHQZURZDVTM-RYUDHWBXSA-N 0 3 362.434 -0.625 20 0 FBADHN CC(=O)N1CCN(C(=O)CN(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000123703642 243167564 /nfs/dbraw/zinc/16/75/64/243167564.db2.gz QRZWMGFVCCOJMG-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@H](C(N)=O)C2)nc1Cl ZINC000123904859 661491333 /nfs/dbraw/zinc/49/13/33/661491333.db2.gz JOGASNKUNJGUSV-JTQLQIEISA-N 0 3 363.871 -0.061 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc1Cl ZINC000123904859 661491330 /nfs/dbraw/zinc/49/13/30/661491330.db2.gz JOGASNKUNJGUSV-JTQLQIEISA-N 0 3 363.871 -0.061 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)nc1Cl ZINC000123905075 661491393 /nfs/dbraw/zinc/49/13/93/661491393.db2.gz JOGASNKUNJGUSV-SNVBAGLBSA-N 0 3 363.871 -0.061 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc1Cl ZINC000123905075 661491388 /nfs/dbraw/zinc/49/13/88/661491388.db2.gz JOGASNKUNJGUSV-SNVBAGLBSA-N 0 3 363.871 -0.061 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000124074961 534324967 /nfs/dbraw/zinc/32/49/67/534324967.db2.gz AMUNIDYNNHDZQL-UHFFFAOYSA-N 0 3 350.419 -0.045 20 0 FBADHN CN(CCNS(=O)(=O)c1cnn(C)c1)CC(C)(C)CN1CCOCC1 ZINC000124272179 484519547 /nfs/dbraw/zinc/51/95/47/484519547.db2.gz UOLOKVRLHMOEEG-UHFFFAOYSA-N 0 3 373.523 -0.011 20 0 FBADHN OCCN1CCN(Cc2ccccc2CN2CCN(CCO)CC2)CC1 ZINC000124580137 484520767 /nfs/dbraw/zinc/52/07/67/484520767.db2.gz NUHJMFJFJLMTLF-UHFFFAOYSA-N 0 3 362.518 -0.094 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000124922262 485230722 /nfs/dbraw/zinc/23/07/22/485230722.db2.gz TUYLNHARZNVZMF-UHFFFAOYSA-N 0 3 354.476 -0.038 20 0 FBADHN Cn1c2ccc(S(=O)(=O)N3CCN(C)C[C@@H]3CN)cc2n(C)c1=O ZINC000124994969 483662184 /nfs/dbraw/zinc/66/21/84/483662184.db2.gz MZCQGVZRAUFOEP-NSHDSACASA-N 0 3 353.448 -0.860 20 0 FBADHN CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[C@H](CN)C1 ZINC000125001990 483662335 /nfs/dbraw/zinc/66/23/35/483662335.db2.gz OCENQXAVONKPGN-GFCCVEGCSA-N 0 3 355.464 -0.486 20 0 FBADHN CC(=O)NC1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000125071517 484851942 /nfs/dbraw/zinc/85/19/42/484851942.db2.gz RBQQKMZGCMPCAP-UHFFFAOYSA-N 0 3 362.434 -0.576 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000125408887 243171154 /nfs/dbraw/zinc/17/11/54/243171154.db2.gz WVLNBGXICLWXRJ-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN Cc1c(C(=O)N2CCN(CCN(C)C)CC2)cccc1S(N)(=O)=O ZINC000125434335 484522814 /nfs/dbraw/zinc/52/28/14/484522814.db2.gz FOCVYRJVAXQYPU-UHFFFAOYSA-N 0 3 354.476 -0.038 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCO[C@H](C(N)=O)C1 ZINC000125697032 243173759 /nfs/dbraw/zinc/17/37/59/243173759.db2.gz UZDRMWKRMFXFSY-OIISXLGYSA-N 0 3 360.458 -0.048 20 0 FBADHN 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Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cn1C ZINC000126149559 243172886 /nfs/dbraw/zinc/17/28/86/243172886.db2.gz PAYFNGONWMUVKZ-AAEUAGOBSA-N 0 3 357.480 -0.195 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1C ZINC000126149559 243172882 /nfs/dbraw/zinc/17/28/82/243172882.db2.gz PAYFNGONWMUVKZ-AAEUAGOBSA-N 0 3 357.480 -0.195 20 0 FBADHN CC(=O)NC[C@@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000126245615 243174581 /nfs/dbraw/zinc/17/45/81/243174581.db2.gz YKEIQVRQQDWTQR-ZDUSSCGKSA-N 0 3 362.434 -0.718 20 0 FBADHN CC(=O)NC[C@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000126245817 534484174 /nfs/dbraw/zinc/48/41/74/534484174.db2.gz YKEIQVRQQDWTQR-CYBMUJFWSA-N 0 3 362.434 -0.718 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC2CCN(CCc3ccncc3)CC2)c1=O ZINC000126884759 243172211 /nfs/dbraw/zinc/17/22/11/243172211.db2.gz QKWLAMQKMJHSGE-UHFFFAOYSA-N 0 3 371.441 -0.235 20 0 FBADHN C[NH+]1CCC(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000127465629 243173899 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/nfs/dbraw/zinc/01/09/25/484010925.db2.gz HIWVBUGPUGBCNQ-HNNXBMFYSA-N 0 3 360.524 -0.200 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000151699658 243185442 /nfs/dbraw/zinc/18/54/42/243185442.db2.gz NUEFLOKQCRBQKT-YHWZYXNKSA-N 0 3 355.464 -0.170 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000151699658 243185436 /nfs/dbraw/zinc/18/54/36/243185436.db2.gz NUEFLOKQCRBQKT-YHWZYXNKSA-N 0 3 355.464 -0.170 20 0 FBADHN CC[NH+](CC)C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000151733793 535582745 /nfs/dbraw/zinc/58/27/45/535582745.db2.gz VSHMSLJGSCUBJO-ZDUSSCGKSA-N 0 3 357.480 -0.111 20 0 FBADHN CC[NH+](CC)C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000151733871 535595124 /nfs/dbraw/zinc/59/51/24/535595124.db2.gz VSHMSLJGSCUBJO-CYBMUJFWSA-N 0 3 357.480 -0.111 20 0 FBADHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000151735831 243186438 /nfs/dbraw/zinc/18/64/38/243186438.db2.gz GKHKCLCQUUXAAO-ZDUSSCGKSA-N 0 3 357.480 -0.111 20 0 FBADHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000151735831 243186433 /nfs/dbraw/zinc/18/64/33/243186433.db2.gz GKHKCLCQUUXAAO-ZDUSSCGKSA-N 0 3 357.480 -0.111 20 0 FBADHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000151735908 243187047 /nfs/dbraw/zinc/18/70/47/243187047.db2.gz GKHKCLCQUUXAAO-CYBMUJFWSA-N 0 3 357.480 -0.111 20 0 FBADHN CCC[N@H+](C)C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000151735908 243187043 /nfs/dbraw/zinc/18/70/43/243187043.db2.gz GKHKCLCQUUXAAO-CYBMUJFWSA-N 0 3 357.480 -0.111 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000151867511 243185156 /nfs/dbraw/zinc/18/51/56/243185156.db2.gz WZFFGJXQFWIMPH-UHFFFAOYSA-N 0 3 350.423 -0.768 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000151920671 243186899 /nfs/dbraw/zinc/18/68/99/243186899.db2.gz KDRHNJWLZWEDQU-UHFFFAOYSA-N 0 3 350.423 -0.768 20 0 FBADHN C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)CC1)CN1CCN(C)CC1 ZINC000151976175 243188126 /nfs/dbraw/zinc/18/81/26/243188126.db2.gz ZJNWTUINHVTGSO-INIZCTEOSA-N 0 3 355.527 -0.032 20 0 FBADHN C[C@H](CNC(=O)N1CCN(CC(C)(C)O)CC1)CN1CCN(C)CC1 ZINC000151976250 243186036 /nfs/dbraw/zinc/18/60/36/243186036.db2.gz ZJNWTUINHVTGSO-MRXNPFEDSA-N 0 3 355.527 -0.032 20 0 FBADHN NC1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)Cc2ccccc2C1 ZINC000152053782 243186358 /nfs/dbraw/zinc/18/63/58/243186358.db2.gz FKZUQRUPYMMAON-UHFFFAOYSA-N 0 3 356.426 -0.568 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000152171277 243187583 /nfs/dbraw/zinc/18/75/83/243187583.db2.gz MPCUCVXMYFBHCB-LSDHHAIUSA-N 0 3 352.483 -0.321 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000152171386 535713279 /nfs/dbraw/zinc/71/32/79/535713279.db2.gz MPCUCVXMYFBHCB-HUUCEWRRSA-N 0 3 352.483 -0.321 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000152171459 243187790 /nfs/dbraw/zinc/18/77/90/243187790.db2.gz MPCUCVXMYFBHCB-GJZGRUSLSA-N 0 3 352.483 -0.321 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000152171570 535712118 /nfs/dbraw/zinc/71/21/18/535712118.db2.gz MPCUCVXMYFBHCB-CABCVRRESA-N 0 3 352.483 -0.321 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)n1 ZINC000152211138 484183091 /nfs/dbraw/zinc/18/30/91/484183091.db2.gz RQHZEBSSCYAZOC-UHFFFAOYSA-N 0 3 358.393 -0.208 20 0 FBADHN C[NH2+]CC1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000152240312 243185986 /nfs/dbraw/zinc/18/59/86/243185986.db2.gz FFIGIXQQEYBCMO-UHFFFAOYSA-N 0 3 359.224 -0.243 20 0 FBADHN C[NH2+]CC1CCN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000152288164 536442432 /nfs/dbraw/zinc/44/24/32/536442432.db2.gz SJROPYYVULJKAD-UHFFFAOYSA-N 0 3 357.480 -0.145 20 0 FBADHN Cc1nc(C)c(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(=O)[nH]1 ZINC000152480230 484545238 /nfs/dbraw/zinc/54/52/38/484545238.db2.gz JAYWHQUGBTYWFY-HNNXBMFYSA-N 0 3 361.446 -0.306 20 0 FBADHN Cc1nc(C)c(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(=O)[nH]1 ZINC000152480315 484545116 /nfs/dbraw/zinc/54/51/16/484545116.db2.gz JAYWHQUGBTYWFY-OAHLLOKOSA-N 0 3 361.446 -0.306 20 0 FBADHN CCCn1c(N)c(C(=O)CN(C)C[C@@H]2CCCN(C)C2)c(=O)[nH]c1=O ZINC000152507843 484675127 /nfs/dbraw/zinc/67/51/27/484675127.db2.gz ZCMIALDGXHIFIY-GFCCVEGCSA-N 0 3 351.451 -0.015 20 0 FBADHN CCCn1c(N)c(C(=O)CN(C)C[C@H]2CCCN(C)C2)c(=O)[nH]c1=O ZINC000152507934 484674265 /nfs/dbraw/zinc/67/42/65/484674265.db2.gz ZCMIALDGXHIFIY-LBPRGKRZSA-N 0 3 351.451 -0.015 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000152518320 484686807 /nfs/dbraw/zinc/68/68/07/484686807.db2.gz LNRMDBXIGMDTSY-NSHDSACASA-N 0 3 355.464 -0.170 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000152518408 484686382 /nfs/dbraw/zinc/68/63/82/484686382.db2.gz LNRMDBXIGMDTSY-LLVKDONJSA-N 0 3 355.464 -0.170 20 0 FBADHN CCc1c(C(=O)N2CC[C@H](N(C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000152570855 536043183 /nfs/dbraw/zinc/04/31/83/536043183.db2.gz PQMKVJWPBVCNDH-NSHDSACASA-N 0 3 359.430 -0.029 20 0 FBADHN CCc1c(C(=O)N2CC[C@@H](N(C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000152570938 536039172 /nfs/dbraw/zinc/03/91/72/536039172.db2.gz PQMKVJWPBVCNDH-LLVKDONJSA-N 0 3 359.430 -0.029 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000152789584 485154614 /nfs/dbraw/zinc/15/46/14/485154614.db2.gz AKGBJNKYEYSOFP-GFCCVEGCSA-N 0 3 357.212 -0.071 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000152789689 485154409 /nfs/dbraw/zinc/15/44/09/485154409.db2.gz AKGBJNKYEYSOFP-LBPRGKRZSA-N 0 3 357.212 -0.071 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000152816553 536367916 /nfs/dbraw/zinc/36/79/16/536367916.db2.gz CIECFYVVXATMSM-CQSZACIVSA-N 0 3 372.429 -0.739 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000152816656 536389274 /nfs/dbraw/zinc/38/92/74/536389274.db2.gz CIECFYVVXATMSM-AWEZNQCLSA-N 0 3 372.429 -0.739 20 0 FBADHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000152879372 243184986 /nfs/dbraw/zinc/18/49/86/243184986.db2.gz OJFHRRNFAAVMLN-RYUDHWBXSA-N 0 3 356.448 -0.811 20 0 FBADHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000152879482 243187439 /nfs/dbraw/zinc/18/74/39/243187439.db2.gz OJFHRRNFAAVMLN-NEPJUHHUSA-N 0 3 356.448 -0.811 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)CO)CC1 ZINC000152882964 243187935 /nfs/dbraw/zinc/18/79/35/243187935.db2.gz HELXDVRNRDTVFF-FUHWJXTLSA-N 0 3 374.485 -0.098 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)CO)CC1 ZINC000152883063 243185474 /nfs/dbraw/zinc/18/54/74/243185474.db2.gz HELXDVRNRDTVFF-SJLPKXTDSA-N 0 3 374.485 -0.098 20 0 FBADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)CO)CC1 ZINC000152883160 243188368 /nfs/dbraw/zinc/18/83/68/243188368.db2.gz HELXDVRNRDTVFF-WMZOPIPTSA-N 0 3 374.485 -0.098 20 0 FBADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)CO)CC1 ZINC000152883245 243185206 /nfs/dbraw/zinc/18/52/06/243185206.db2.gz HELXDVRNRDTVFF-AEFFLSMTSA-N 0 3 374.485 -0.098 20 0 FBADHN CN(CCN1CCN(C(=O)Cn2cn[nH]c2=O)CC1)Cc1ccccc1 ZINC000152935801 485160450 /nfs/dbraw/zinc/16/04/50/485160450.db2.gz OPLJPJJIPJMWEM-UHFFFAOYSA-N 0 3 358.446 -0.152 20 0 FBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000153201523 485185495 /nfs/dbraw/zinc/18/54/95/485185495.db2.gz DLNXDDGKMAENST-CQSZACIVSA-N 0 3 359.496 -0.042 20 0 FBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000153201660 485184890 /nfs/dbraw/zinc/18/48/90/485184890.db2.gz DLNXDDGKMAENST-AWEZNQCLSA-N 0 3 359.496 -0.042 20 0 FBADHN Cn1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000153240104 243190078 /nfs/dbraw/zinc/19/00/78/243190078.db2.gz VRNXFUVGJRSELG-MRXNPFEDSA-N 0 3 357.414 -0.106 20 0 FBADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000153300618 535863981 /nfs/dbraw/zinc/86/39/81/535863981.db2.gz TUSRYTGPELIQNM-UHFFFAOYSA-N 0 3 360.414 -0.157 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153579718 484035593 /nfs/dbraw/zinc/03/55/93/484035593.db2.gz YHFFEDGKFKYQJH-UMNHJUIQSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153579835 484036129 /nfs/dbraw/zinc/03/61/29/484036129.db2.gz YHFFEDGKFKYQJH-JFGNBEQYSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153580084 484035349 /nfs/dbraw/zinc/03/53/49/484035349.db2.gz YHFFEDGKFKYQJH-CKYFFXLPSA-N 0 3 357.480 -0.087 20 0 FBADHN CCS(=O)(=O)NCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000153698791 243190915 /nfs/dbraw/zinc/19/09/15/243190915.db2.gz CWFCPWJAZVMZGM-UHFFFAOYSA-N 0 3 368.503 -0.011 20 0 FBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@@H]3CCCN(C)C3)cc2)c1=O ZINC000153791918 485241791 /nfs/dbraw/zinc/24/17/91/485241791.db2.gz AUBDIVFERYPIAU-ZDUSSCGKSA-N 0 3 372.429 -0.033 20 0 FBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@H]3CCCN(C)C3)cc2)c1=O ZINC000153792050 485241359 /nfs/dbraw/zinc/24/13/59/485241359.db2.gz AUBDIVFERYPIAU-CYBMUJFWSA-N 0 3 372.429 -0.033 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)n1 ZINC000154224014 243191585 /nfs/dbraw/zinc/19/15/85/243191585.db2.gz VLXINHLGRMHDFP-UHFFFAOYSA-N 0 3 374.449 -0.535 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000154547523 243192717 /nfs/dbraw/zinc/19/27/17/243192717.db2.gz YIZGRPXODFOERI-CHWSQXEVSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000154547523 243192711 /nfs/dbraw/zinc/19/27/11/243192711.db2.gz YIZGRPXODFOERI-CHWSQXEVSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000154547629 243191164 /nfs/dbraw/zinc/19/11/64/243191164.db2.gz YIZGRPXODFOERI-OLZOCXBDSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000154547629 243191161 /nfs/dbraw/zinc/19/11/61/243191161.db2.gz YIZGRPXODFOERI-OLZOCXBDSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000154547731 243189963 /nfs/dbraw/zinc/18/99/63/243189963.db2.gz YIZGRPXODFOERI-QWHCGFSZSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000154547731 243189959 /nfs/dbraw/zinc/18/99/59/243189959.db2.gz YIZGRPXODFOERI-QWHCGFSZSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000154547834 243190168 /nfs/dbraw/zinc/19/01/68/243190168.db2.gz YIZGRPXODFOERI-STQMWFEESA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000154547834 243190162 /nfs/dbraw/zinc/19/01/62/243190162.db2.gz YIZGRPXODFOERI-STQMWFEESA-N 0 3 355.464 -0.359 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000154609910 484063403 /nfs/dbraw/zinc/06/34/03/484063403.db2.gz MWPDIJZBZCZOLT-CYBMUJFWSA-N 0 3 363.340 -0.091 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000154610026 484062588 /nfs/dbraw/zinc/06/25/88/484062588.db2.gz MWPDIJZBZCZOLT-ZDUSSCGKSA-N 0 3 363.340 -0.091 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)CNC2CC2)CC1 ZINC000154663884 485248909 /nfs/dbraw/zinc/24/89/09/485248909.db2.gz MTOSCXZWAJMXEZ-UHFFFAOYSA-N 0 3 366.487 -0.009 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1C ZINC000154667907 243190290 /nfs/dbraw/zinc/19/02/90/243190290.db2.gz ZEUJDXIUXHYKQC-ZIAGYGMSSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1C ZINC000154667907 243190281 /nfs/dbraw/zinc/19/02/81/243190281.db2.gz ZEUJDXIUXHYKQC-ZIAGYGMSSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1C ZINC000154667984 243191143 /nfs/dbraw/zinc/19/11/43/243191143.db2.gz ZEUJDXIUXHYKQC-KGLIPLIRSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1C ZINC000154667984 243191139 /nfs/dbraw/zinc/19/11/39/243191139.db2.gz ZEUJDXIUXHYKQC-KGLIPLIRSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1C ZINC000154668087 243192812 /nfs/dbraw/zinc/19/28/12/243192812.db2.gz ZEUJDXIUXHYKQC-UONOGXRCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1C ZINC000154668087 243192805 /nfs/dbraw/zinc/19/28/05/243192805.db2.gz ZEUJDXIUXHYKQC-UONOGXRCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1C ZINC000154668190 243192487 /nfs/dbraw/zinc/19/24/87/243192487.db2.gz ZEUJDXIUXHYKQC-KBPBESRZSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1C ZINC000154668190 243192479 /nfs/dbraw/zinc/19/24/79/243192479.db2.gz ZEUJDXIUXHYKQC-KBPBESRZSA-N 0 3 369.491 -0.050 20 0 FBADHN CNS(=O)(=O)CCCN1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154915687 485250190 /nfs/dbraw/zinc/25/01/90/485250190.db2.gz RCASVOJZSDNQBL-UHFFFAOYSA-N 0 3 357.480 -0.199 20 0 FBADHN C[C@@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CN1CCN(C)CC1 ZINC000154919688 484067321 /nfs/dbraw/zinc/06/73/21/484067321.db2.gz OCPMNHHAUQPLOG-KBPBESRZSA-N 0 3 362.540 -0.050 20 0 FBADHN C[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CN1CCN(C)CC1 ZINC000154919790 484067886 /nfs/dbraw/zinc/06/78/86/484067886.db2.gz OCPMNHHAUQPLOG-KGLIPLIRSA-N 0 3 362.540 -0.050 20 0 FBADHN C[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CN1CCN(C)CC1 ZINC000154919904 484067259 /nfs/dbraw/zinc/06/72/59/484067259.db2.gz OCPMNHHAUQPLOG-UONOGXRCSA-N 0 3 362.540 -0.050 20 0 FBADHN C[C@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CN1CCN(C)CC1 ZINC000154920013 484067742 /nfs/dbraw/zinc/06/77/42/484067742.db2.gz OCPMNHHAUQPLOG-ZIAGYGMSSA-N 0 3 362.540 -0.050 20 0 FBADHN CCN1CCN([C@@H]2CCN(CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000155662966 484084485 /nfs/dbraw/zinc/08/44/85/484084485.db2.gz SBPVEFOSGNQVQM-OAHLLOKOSA-N 0 3 353.511 -0.271 20 0 FBADHN CCN1CCN([C@H]2CCN(CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000155663059 484085039 /nfs/dbraw/zinc/08/50/39/484085039.db2.gz SBPVEFOSGNQVQM-HNNXBMFYSA-N 0 3 353.511 -0.271 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCn2c(nn(C)c2=O)C1 ZINC000155737834 243195481 /nfs/dbraw/zinc/19/54/81/243195481.db2.gz JWXWPMWFFXSRAF-UHFFFAOYSA-N 0 3 372.429 -0.067 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCn3c(nn(C)c3=O)C2)c1 ZINC000155759420 536034790 /nfs/dbraw/zinc/03/47/90/536034790.db2.gz JQVGANBIYFUQDD-UHFFFAOYSA-N 0 3 358.402 -0.376 20 0 FBADHN Cn1c2ncn(CCN3CCC(Cn4ccnn4)CC3)c2c(=O)n(C)c1=O ZINC000155808932 243197574 /nfs/dbraw/zinc/19/75/74/243197574.db2.gz YGCDUEIYQWQXTF-UHFFFAOYSA-N 0 3 372.433 -0.563 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000156003462 485259333 /nfs/dbraw/zinc/25/93/33/485259333.db2.gz DVXLSZLRLICREH-JKSUJKDBSA-N 0 3 353.511 -0.461 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000156003585 485259449 /nfs/dbraw/zinc/25/94/49/485259449.db2.gz DVXLSZLRLICREH-HZPDHXFCSA-N 0 3 353.511 -0.461 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000156003705 485259305 /nfs/dbraw/zinc/25/93/05/485259305.db2.gz DVXLSZLRLICREH-HOTGVXAUSA-N 0 3 353.511 -0.461 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000156003823 485259707 /nfs/dbraw/zinc/25/97/07/485259707.db2.gz DVXLSZLRLICREH-CVEARBPZSA-N 0 3 353.511 -0.461 20 0 FBADHN CC(C)[C@@H](CO)NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000156302415 535202947 /nfs/dbraw/zinc/20/29/47/535202947.db2.gz MFCVMCCWWUMBQI-CQSZACIVSA-N 0 3 361.450 -0.382 20 0 FBADHN Cn1c2ncn(CCN3CC[C@@H](Oc4ccncc4)C3)c2c(=O)n(C)c1=O ZINC000156333019 243195172 /nfs/dbraw/zinc/19/51/72/243195172.db2.gz PNAPTFGWDCPWPP-CQSZACIVSA-N 0 3 370.413 -0.018 20 0 FBADHN Cn1c2ncn(CCN3CCC(n4cncn4)CC3)c2c(=O)n(C)c1=O ZINC000156598993 485262194 /nfs/dbraw/zinc/26/21/94/485262194.db2.gz FYBRMESTYXJKFH-UHFFFAOYSA-N 0 3 358.406 -0.638 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cn1C ZINC000156863658 484161570 /nfs/dbraw/zinc/16/15/70/484161570.db2.gz SOHRHVXHNZHDSR-AAEUAGOBSA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cn1C ZINC000156863817 483871638 /nfs/dbraw/zinc/87/16/38/483871638.db2.gz SOHRHVXHNZHDSR-YPMHNXCESA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cn1C ZINC000156863958 484160965 /nfs/dbraw/zinc/16/09/65/484160965.db2.gz SOHRHVXHNZHDSR-WCQYABFASA-N 0 3 357.480 -0.017 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H]3CN(C)CC[C@@H]31)c(=O)n2C ZINC000157063448 243197487 /nfs/dbraw/zinc/19/74/87/243197487.db2.gz MBSONIJXNVMGKB-STQMWFEESA-N 0 3 374.445 -0.624 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H]3CN(C)CC[C@@H]31)c(=O)n2C ZINC000157063601 243197157 /nfs/dbraw/zinc/19/71/57/243197157.db2.gz MBSONIJXNVMGKB-OLZOCXBDSA-N 0 3 374.445 -0.624 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H]3CN(C)CC[C@H]31)c(=O)n2C ZINC000157063760 243197467 /nfs/dbraw/zinc/19/74/67/243197467.db2.gz MBSONIJXNVMGKB-QWHCGFSZSA-N 0 3 374.445 -0.624 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H]3CN(C)CC[C@H]31)c(=O)n2C ZINC000157063901 243196694 /nfs/dbraw/zinc/19/66/94/243196694.db2.gz MBSONIJXNVMGKB-CHWSQXEVSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000157116914 243195858 /nfs/dbraw/zinc/19/58/58/243195858.db2.gz SFPYRFDNOJKVHL-STQMWFEESA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000157117060 243195710 /nfs/dbraw/zinc/19/57/10/243195710.db2.gz SFPYRFDNOJKVHL-OLZOCXBDSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000157117208 536471337 /nfs/dbraw/zinc/47/13/37/536471337.db2.gz SFPYRFDNOJKVHL-QWHCGFSZSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000157117360 536473362 /nfs/dbraw/zinc/47/33/62/536473362.db2.gz SFPYRFDNOJKVHL-CHWSQXEVSA-N 0 3 374.445 -0.624 20 0 FBADHN CC(C)[C@H](C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)N(C)C ZINC000157267076 485267187 /nfs/dbraw/zinc/26/71/87/485267187.db2.gz ZVLMGYINPAVOBI-JKSUJKDBSA-N 0 3 354.495 -0.036 20 0 FBADHN CC(C)[C@H](C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)N(C)C ZINC000157267221 485267400 /nfs/dbraw/zinc/26/74/00/485267400.db2.gz ZVLMGYINPAVOBI-HZPDHXFCSA-N 0 3 354.495 -0.036 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000157372515 243195288 /nfs/dbraw/zinc/19/52/88/243195288.db2.gz BWMNJJRVHVMLOI-STQMWFEESA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000157372515 243195279 /nfs/dbraw/zinc/19/52/79/243195279.db2.gz BWMNJJRVHVMLOI-STQMWFEESA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000157372654 243196828 /nfs/dbraw/zinc/19/68/28/243196828.db2.gz BWMNJJRVHVMLOI-OLZOCXBDSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000157372654 243196823 /nfs/dbraw/zinc/19/68/23/243196823.db2.gz BWMNJJRVHVMLOI-OLZOCXBDSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000157372796 243196382 /nfs/dbraw/zinc/19/63/82/243196382.db2.gz BWMNJJRVHVMLOI-QWHCGFSZSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000157372796 243196377 /nfs/dbraw/zinc/19/63/77/243196377.db2.gz BWMNJJRVHVMLOI-QWHCGFSZSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000157372946 243195324 /nfs/dbraw/zinc/19/53/24/243195324.db2.gz BWMNJJRVHVMLOI-CHWSQXEVSA-N 0 3 355.464 -0.359 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000157372946 243195317 /nfs/dbraw/zinc/19/53/17/243195317.db2.gz BWMNJJRVHVMLOI-CHWSQXEVSA-N 0 3 355.464 -0.359 20 0 FBADHN CC(C)C(=O)NCCN(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000157380175 243195398 /nfs/dbraw/zinc/19/53/98/243195398.db2.gz OULRPZOUFGXSBZ-UHFFFAOYSA-N 0 3 364.450 -0.472 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000157517548 243197412 /nfs/dbraw/zinc/19/74/12/243197412.db2.gz GBVIQONHQWQWHP-UHFFFAOYSA-N 0 3 354.476 -0.038 20 0 FBADHN CCOCCO[C@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000157802349 535660540 /nfs/dbraw/zinc/66/05/40/535660540.db2.gz JDMOMNCEGKMNTO-ZDUSSCGKSA-N 0 3 365.434 -0.439 20 0 FBADHN CN(CCN1CCOCC1)CC1(CN(C)CCN2CCOCC2)COC1 ZINC000157995370 485279124 /nfs/dbraw/zinc/27/91/24/485279124.db2.gz DBEAZRYWCFDTAO-UHFFFAOYSA-N 0 3 370.538 -0.469 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158238945 243196312 /nfs/dbraw/zinc/19/63/12/243196312.db2.gz MJLDXHOPVKNBIB-ZDUSSCGKSA-N 0 3 357.208 -0.489 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158239083 243197603 /nfs/dbraw/zinc/19/76/03/243197603.db2.gz MJLDXHOPVKNBIB-CYBMUJFWSA-N 0 3 357.208 -0.489 20 0 FBADHN CCN1CCCN(CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000158264662 243193600 /nfs/dbraw/zinc/19/36/00/243193600.db2.gz OCZDRYNDZIPGRY-UHFFFAOYSA-N 0 3 351.451 -0.015 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cn1C ZINC000158699260 485289776 /nfs/dbraw/zinc/28/97/76/485289776.db2.gz DLIVXEXRPNVKJB-HNNXBMFYSA-N 0 3 355.464 -0.391 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cn1C ZINC000158699386 485289900 /nfs/dbraw/zinc/28/99/00/485289900.db2.gz DLIVXEXRPNVKJB-OAHLLOKOSA-N 0 3 355.464 -0.391 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000158797982 243195530 /nfs/dbraw/zinc/19/55/30/243195530.db2.gz CYBRPJZRGHHZLE-LBPRGKRZSA-N 0 3 360.505 -0.174 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000158798135 243195814 /nfs/dbraw/zinc/19/58/14/243195814.db2.gz CYBRPJZRGHHZLE-GFCCVEGCSA-N 0 3 360.505 -0.174 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c[nH]cn1 ZINC000159174246 485294675 /nfs/dbraw/zinc/29/46/75/485294675.db2.gz AQOYKDSCFYBUEI-AWEZNQCLSA-N 0 3 365.459 -0.023 20 0 FBADHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000161519711 535973613 /nfs/dbraw/zinc/97/36/13/535973613.db2.gz YNBMKLKFTLRLME-OAHLLOKOSA-N 0 3 356.448 -0.532 20 0 FBADHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000161519844 243202199 /nfs/dbraw/zinc/20/21/99/243202199.db2.gz YNBMKLKFTLRLME-HNNXBMFYSA-N 0 3 356.448 -0.532 20 0 FBADHN CN(CCCN1CCN(C)CC1)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000161999308 243200524 /nfs/dbraw/zinc/20/05/24/243200524.db2.gz HMZCUQCZEYDRFM-UHFFFAOYSA-N 0 3 363.466 -0.970 20 0 FBADHN CN(CCCN1CCN(C)CC1)CCNS(=O)(=O)c1cnn(C)c1 ZINC000162000038 484206436 /nfs/dbraw/zinc/20/64/36/484206436.db2.gz UNPSXSHLNPLZDA-UHFFFAOYSA-N 0 3 358.512 -0.732 20 0 FBADHN CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)[C@H](CN)C1 ZINC000162263643 484048215 /nfs/dbraw/zinc/04/82/15/484048215.db2.gz CEPXZSWWAFMIRT-CYBMUJFWSA-N 0 3 358.439 -0.405 20 0 FBADHN CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)[C@@H](CN)C1 ZINC000162263769 484297506 /nfs/dbraw/zinc/29/75/06/484297506.db2.gz CEPXZSWWAFMIRT-ZDUSSCGKSA-N 0 3 358.439 -0.405 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000162328971 484937646 /nfs/dbraw/zinc/93/76/46/484937646.db2.gz NSPZJCRVHWAYFX-KBPBESRZSA-N 0 3 354.476 -0.237 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000162329094 484296471 /nfs/dbraw/zinc/29/64/71/484296471.db2.gz NSPZJCRVHWAYFX-KGLIPLIRSA-N 0 3 354.476 -0.237 20 0 FBADHN CN1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[C@H](CN)C1 ZINC000162356779 484299007 /nfs/dbraw/zinc/29/90/07/484299007.db2.gz GKWISQUENJMJFK-CQSZACIVSA-N 0 3 352.460 -0.276 20 0 FBADHN CN1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[C@@H](CN)C1 ZINC000162356915 484298845 /nfs/dbraw/zinc/29/88/45/484298845.db2.gz GKWISQUENJMJFK-AWEZNQCLSA-N 0 3 352.460 -0.276 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162359212 484178148 /nfs/dbraw/zinc/17/81/48/484178148.db2.gz JOIUNCGWAQNIBX-RYUDHWBXSA-N 0 3 358.439 -0.406 20 0 FBADHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162450253 243200760 /nfs/dbraw/zinc/20/07/60/243200760.db2.gz KGUANLSUFJVEAH-PMPSAXMXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162450484 243200647 /nfs/dbraw/zinc/20/06/47/243200647.db2.gz KGUANLSUFJVEAH-OAGGEKHMSA-N 0 3 352.479 -0.092 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000162489873 536368966 /nfs/dbraw/zinc/36/89/66/536368966.db2.gz LHCVLCDJEYHXRX-JKSUJKDBSA-N 0 3 372.535 -0.104 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000162490005 243199394 /nfs/dbraw/zinc/19/93/94/243199394.db2.gz LHCVLCDJEYHXRX-HOTGVXAUSA-N 0 3 372.535 -0.104 20 0 FBADHN Cn1cc(N2CC[C@H](N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2=O)cn1 ZINC000162506834 243202011 /nfs/dbraw/zinc/20/20/11/243202011.db2.gz PJDFQIHEZUQLFD-HOTGVXAUSA-N 0 3 360.462 -0.236 20 0 FBADHN Cn1cc(N2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2=O)cn1 ZINC000162506976 243199104 /nfs/dbraw/zinc/19/91/04/243199104.db2.gz PJDFQIHEZUQLFD-JKSUJKDBSA-N 0 3 360.462 -0.236 20 0 FBADHN Cn1cc(N2CC[C@H](N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2=O)cn1 ZINC000162507096 243201158 /nfs/dbraw/zinc/20/11/58/243201158.db2.gz PJDFQIHEZUQLFD-CVEARBPZSA-N 0 3 360.462 -0.236 20 0 FBADHN Cn1cc(N2CC[C@@H](N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2=O)cn1 ZINC000162507235 243199892 /nfs/dbraw/zinc/19/98/92/243199892.db2.gz PJDFQIHEZUQLFD-HZPDHXFCSA-N 0 3 360.462 -0.236 20 0 FBADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000162586642 484270190 /nfs/dbraw/zinc/27/01/90/484270190.db2.gz JEYSGDGDDSXWGE-AWEZNQCLSA-N 0 3 354.476 -0.371 20 0 FBADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000162586782 484270054 /nfs/dbraw/zinc/27/00/54/484270054.db2.gz JEYSGDGDDSXWGE-CQSZACIVSA-N 0 3 354.476 -0.371 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000162601148 243201501 /nfs/dbraw/zinc/20/15/01/243201501.db2.gz VMJVJUQNNXUPIJ-XHSDSOJGSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000162601383 243201304 /nfs/dbraw/zinc/20/13/04/243201304.db2.gz VMJVJUQNNXUPIJ-OAGGEKHMSA-N 0 3 352.479 -0.139 20 0 FBADHN CN1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@H](C[NH3+])C1 ZINC000162665551 484977268 /nfs/dbraw/zinc/97/72/68/484977268.db2.gz UPPOHEQLUCSMIR-GFCCVEGCSA-N 0 3 358.439 -0.405 20 0 FBADHN CN1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@@H](C[NH3+])C1 ZINC000162665662 484978097 /nfs/dbraw/zinc/97/80/97/484978097.db2.gz UPPOHEQLUCSMIR-LBPRGKRZSA-N 0 3 358.439 -0.405 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000162698822 536368118 /nfs/dbraw/zinc/36/81/18/536368118.db2.gz CWBGTHNVKADPHR-OAHLLOKOSA-N 0 3 358.446 -0.266 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000162698952 243199321 /nfs/dbraw/zinc/19/93/21/243199321.db2.gz CWBGTHNVKADPHR-HNNXBMFYSA-N 0 3 358.446 -0.266 20 0 FBADHN CCCN(C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C1CC[NH2+]CC1 ZINC000163335174 484382391 /nfs/dbraw/zinc/38/23/91/484382391.db2.gz LKURPIVVVHNTMC-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncnc(-n3cccn3)c2N)CC1 ZINC000163630415 536369977 /nfs/dbraw/zinc/36/99/77/536369977.db2.gz KBDKDNLQEJXGQO-CYBMUJFWSA-N 0 3 356.434 -0.013 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2ncnc(-n3cccn3)c2N)CC1 ZINC000163630548 243200259 /nfs/dbraw/zinc/20/02/59/243200259.db2.gz KBDKDNLQEJXGQO-ZDUSSCGKSA-N 0 3 356.434 -0.013 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000163786779 243199490 /nfs/dbraw/zinc/19/94/90/243199490.db2.gz IUAOKZNKKOTINR-KRWDZBQOSA-N 0 3 360.458 -0.441 20 0 FBADHN COCCNCC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000163897526 243203179 /nfs/dbraw/zinc/20/31/79/243203179.db2.gz UQJPCLPDIIOVKM-IYBDPMFKSA-N 0 3 354.495 -0.129 20 0 FBADHN COCCNCC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000163897630 243206053 /nfs/dbraw/zinc/20/60/53/243206053.db2.gz UQJPCLPDIIOVKM-HOTGVXAUSA-N 0 3 354.495 -0.129 20 0 FBADHN COCCNCC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000163897742 243202682 /nfs/dbraw/zinc/20/26/82/243202682.db2.gz UQJPCLPDIIOVKM-HZPDHXFCSA-N 0 3 354.495 -0.129 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000163902638 484421523 /nfs/dbraw/zinc/42/15/23/484421523.db2.gz HBBUXIMWBVQPMM-MRXNPFEDSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(C[C@H]1CNCCO1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000163902715 484420340 /nfs/dbraw/zinc/42/03/40/484420340.db2.gz HBBUXIMWBVQPMM-INIZCTEOSA-N 0 3 352.479 -0.088 20 0 FBADHN NC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)Cc2ccccc2C1 ZINC000164156554 243202741 /nfs/dbraw/zinc/20/27/41/243202741.db2.gz BDFJSAWBJHHJLB-UHFFFAOYSA-N 0 3 372.469 -0.514 20 0 FBADHN O=C(CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1)NCc1ccccc1 ZINC000164176251 243204177 /nfs/dbraw/zinc/20/41/77/243204177.db2.gz IQKCHGUXBDNYHV-QGZVFWFLSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(CN1CCN(C(=O)C[C@H]2CNCCO2)CC1)NCc1ccccc1 ZINC000164176397 243205264 /nfs/dbraw/zinc/20/52/64/243205264.db2.gz IQKCHGUXBDNYHV-KRWDZBQOSA-N 0 3 360.458 -0.175 20 0 FBADHN CC(C)CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(N)=O ZINC000164523528 484330926 /nfs/dbraw/zinc/33/09/26/484330926.db2.gz UTFZVVGUQFCCBW-UHFFFAOYSA-N 0 3 350.423 -0.733 20 0 FBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000165029632 484539523 /nfs/dbraw/zinc/53/95/23/484539523.db2.gz KDTKJCXRKRELLR-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000165029747 484539074 /nfs/dbraw/zinc/53/90/74/484539074.db2.gz KDTKJCXRKRELLR-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000165029865 484539440 /nfs/dbraw/zinc/53/94/40/484539440.db2.gz KDTKJCXRKRELLR-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000165029984 484539835 /nfs/dbraw/zinc/53/98/35/484539835.db2.gz KDTKJCXRKRELLR-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCNCC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000165474810 243203822 /nfs/dbraw/zinc/20/38/22/243203822.db2.gz LBXZUYDGGYNOGU-UHFFFAOYSA-N 0 3 360.458 -0.044 20 0 FBADHN CN(C(=O)CN1CCNCC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000166554667 484540723 /nfs/dbraw/zinc/54/07/23/484540723.db2.gz RULUTHXDBSGNER-UHFFFAOYSA-N 0 3 359.474 -0.021 20 0 FBADHN O=C(CCNC(=O)[C@]1(F)CCNC1)N1CCN(c2ncccn2)CC1 ZINC000167075424 243205953 /nfs/dbraw/zinc/20/59/53/243205953.db2.gz YEXHPXISHDOVPW-INIZCTEOSA-N 0 3 350.398 -0.667 20 0 FBADHN O=C(CCNC(=O)[C@@]1(F)CCNC1)N1CCN(c2ncccn2)CC1 ZINC000167075527 243203054 /nfs/dbraw/zinc/20/30/54/243203054.db2.gz YEXHPXISHDOVPW-MRXNPFEDSA-N 0 3 350.398 -0.667 20 0 FBADHN O=C(CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1)NC1CCCCC1 ZINC000167497934 484540976 /nfs/dbraw/zinc/54/09/76/484540976.db2.gz RLJWRYLCAMSVNJ-MRXNPFEDSA-N 0 3 352.479 -0.042 20 0 FBADHN O=C(CN1CCN(C(=O)C[C@H]2CNCCO2)CC1)NC1CCCCC1 ZINC000167498048 484541347 /nfs/dbraw/zinc/54/13/47/484541347.db2.gz RLJWRYLCAMSVNJ-INIZCTEOSA-N 0 3 352.479 -0.042 20 0 FBADHN CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CNCCO3)CC2)CC1 ZINC000167818688 243204833 /nfs/dbraw/zinc/20/48/33/243204833.db2.gz GDNGUCDDRUTZIS-INIZCTEOSA-N 0 3 352.479 -0.232 20 0 FBADHN CCN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CNCCO3)CC2)CC1 ZINC000167818806 243205002 /nfs/dbraw/zinc/20/50/02/243205002.db2.gz GDNGUCDDRUTZIS-MRXNPFEDSA-N 0 3 352.479 -0.232 20 0 FBADHN COCCNCC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000167841699 243203006 /nfs/dbraw/zinc/20/30/06/243203006.db2.gz WAZXJBZVJKJUQU-UHFFFAOYSA-N 0 3 366.437 -0.064 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 ZINC000168403257 243203412 /nfs/dbraw/zinc/20/34/12/243203412.db2.gz MXUKWNMRMBGWAB-CQSZACIVSA-N 0 3 354.476 -0.235 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H](C)N)CC2)cc1 ZINC000168403346 243206036 /nfs/dbraw/zinc/20/60/36/243206036.db2.gz MXUKWNMRMBGWAB-AWEZNQCLSA-N 0 3 354.476 -0.235 20 0 FBADHN CC[C@H](N)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000168996710 243205451 /nfs/dbraw/zinc/20/54/51/243205451.db2.gz LUPAMMKTUUXNTE-AWEZNQCLSA-N 0 3 354.476 -0.024 20 0 FBADHN O=C(CN1CCN(C(=O)CN2CCCCCC2)CC1)N1CCOCC1 ZINC000170707809 484272605 /nfs/dbraw/zinc/27/26/05/484272605.db2.gz MTCMYYKFZUHMQQ-UHFFFAOYSA-N 0 3 352.479 -0.135 20 0 FBADHN Cn1c2ncn(CCN3CCC[C@H](CCC(N)=O)C3)c2c(=O)n(C)c1=O ZINC000170736062 243203602 /nfs/dbraw/zinc/20/36/02/243203602.db2.gz NFOXEZBGDXUTNB-GFCCVEGCSA-N 0 3 362.434 -0.589 20 0 FBADHN Cn1c2ncn(CCN3CCC[C@@H](CCC(N)=O)C3)c2c(=O)n(C)c1=O ZINC000170736065 243203227 /nfs/dbraw/zinc/20/32/27/243203227.db2.gz NFOXEZBGDXUTNB-LBPRGKRZSA-N 0 3 362.434 -0.589 20 0 FBADHN C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000170763800 243204243 /nfs/dbraw/zinc/20/42/43/243204243.db2.gz MIYIPCWKQNHIAC-UHFFFAOYSA-N 0 3 351.432 -0.043 20 0 FBADHN C[NH+](C)CCN1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1 ZINC000170842018 535874399 /nfs/dbraw/zinc/87/43/99/535874399.db2.gz MCGSXXJRJWDDIQ-UHFFFAOYSA-N 0 3 373.457 -0.214 20 0 FBADHN CCCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000170900712 484951844 /nfs/dbraw/zinc/95/18/44/484951844.db2.gz OWZAAVJGJLRVTH-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(C)CC1 ZINC000170915881 243204498 /nfs/dbraw/zinc/20/44/98/243204498.db2.gz AFFLQFLHFYZMEZ-OAHLLOKOSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(C)CC1 ZINC000170915883 243205250 /nfs/dbraw/zinc/20/52/50/243205250.db2.gz AFFLQFLHFYZMEZ-HNNXBMFYSA-N 0 3 352.479 -0.280 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCC[NH+]2CCCC2)cn1C ZINC000170918008 484288356 /nfs/dbraw/zinc/28/83/56/484288356.db2.gz KQHCVXMUOWCYPF-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN CC1(C)CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000171067032 485012016 /nfs/dbraw/zinc/01/20/16/485012016.db2.gz NTBBOYLDAQIGTR-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN COCCN(C)CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000171129812 243202777 /nfs/dbraw/zinc/20/27/77/243202777.db2.gz UPECTXOQKOOXBA-UHFFFAOYSA-N 0 3 374.441 -0.247 20 0 FBADHN CCN(CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000171141439 243202896 /nfs/dbraw/zinc/20/28/96/243202896.db2.gz BOMRPZDDVBAHEG-UHFFFAOYSA-N 0 3 362.434 -0.576 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(CC(C)(C)O)CC2)C1 ZINC000171153032 535118516 /nfs/dbraw/zinc/11/85/16/535118516.db2.gz VRNQGOFABMFGKP-QGZVFWFLSA-N 0 3 370.538 -0.152 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(CC(C)(C)O)CC2)C1 ZINC000171153037 535110476 /nfs/dbraw/zinc/11/04/76/535110476.db2.gz VRNQGOFABMFGKP-KRWDZBQOSA-N 0 3 370.538 -0.152 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000171224940 243204036 /nfs/dbraw/zinc/20/40/36/243204036.db2.gz KPPUICDBDPHWRN-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN Cn1c2ncn(CCN3CCC(C4OCCO4)CC3)c2c(=O)n(C)c1=O ZINC000171239382 243205889 /nfs/dbraw/zinc/20/58/89/243205889.db2.gz YZICQEHHCFYVES-UHFFFAOYSA-N 0 3 363.418 -0.481 20 0 FBADHN O=C(Cc1nc2ncccn2n1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000171340330 243208048 /nfs/dbraw/zinc/20/80/48/243208048.db2.gz DLEQIUTWMFBUAY-UHFFFAOYSA-N 0 3 357.418 -0.567 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000171409478 485020003 /nfs/dbraw/zinc/02/00/03/485020003.db2.gz KMZVIPRMTSSUQJ-UHFFFAOYSA-N 0 3 362.478 -0.382 20 0 FBADHN Cn1c(=O)c2ccc(C(=O)N3CC[C@H](N4CCCC4)C3)nc2n(C)c1=O ZINC000171442140 243207968 /nfs/dbraw/zinc/20/79/68/243207968.db2.gz XRTOUUQXDNHIEN-LBPRGKRZSA-N 0 3 357.414 -0.058 20 0 FBADHN Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](N4CCCC4)C3)nc2n(C)c1=O ZINC000171442144 243208696 /nfs/dbraw/zinc/20/86/96/243208696.db2.gz XRTOUUQXDNHIEN-GFCCVEGCSA-N 0 3 357.414 -0.058 20 0 FBADHN Cn1c(=O)c2cc(C(=O)N3CC[C@H](N4CCCC4)C3)cnc2n(C)c1=O ZINC000171443594 243208872 /nfs/dbraw/zinc/20/88/72/243208872.db2.gz ATSHMWLWXZBNMT-ZDUSSCGKSA-N 0 3 357.414 -0.058 20 0 FBADHN Cn1c(=O)c2cc(C(=O)N3CC[C@@H](N4CCCC4)C3)cnc2n(C)c1=O ZINC000171443596 243206712 /nfs/dbraw/zinc/20/67/12/243206712.db2.gz ATSHMWLWXZBNMT-CYBMUJFWSA-N 0 3 357.414 -0.058 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171447038 243207931 /nfs/dbraw/zinc/20/79/31/243207931.db2.gz FXYNBTTXLRJEOC-JTQLQIEISA-N 0 3 371.235 -0.004 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171447041 243210385 /nfs/dbraw/zinc/21/03/85/243210385.db2.gz FXYNBTTXLRJEOC-SNVBAGLBSA-N 0 3 371.235 -0.004 20 0 FBADHN Cn1c2ncn(CC(=O)N3CC[C@H](N4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000171451710 243208544 /nfs/dbraw/zinc/20/85/44/243208544.db2.gz YEPLSRIFOOESLJ-LBPRGKRZSA-N 0 3 360.418 -0.870 20 0 FBADHN Cn1c2ncn(CC(=O)N3CC[C@@H](N4CCCC4)C3)c2c(=O)n(C)c1=O ZINC000171451713 243209027 /nfs/dbraw/zinc/20/90/27/243209027.db2.gz YEPLSRIFOOESLJ-GFCCVEGCSA-N 0 3 360.418 -0.870 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N(C)C2CCN(C)CC2)cn1C ZINC000171535142 243207095 /nfs/dbraw/zinc/20/70/95/243207095.db2.gz YTADQJGYZANNBG-UHFFFAOYSA-N 0 3 357.480 -0.050 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC000171560284 484006298 /nfs/dbraw/zinc/00/62/98/484006298.db2.gz SUUVFLROJXGEAI-UHFFFAOYSA-N 0 3 359.434 -0.321 20 0 FBADHN CN(C)CCNC(=O)C1CCN(CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000171561494 484072535 /nfs/dbraw/zinc/07/25/35/484072535.db2.gz CVWAAVCDDOQBAQ-UHFFFAOYSA-N 0 3 364.494 -0.232 20 0 FBADHN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000171657511 484008118 /nfs/dbraw/zinc/00/81/18/484008118.db2.gz BYGJBZYCRBEBCQ-LBPRGKRZSA-N 0 3 364.498 -0.029 20 0 FBADHN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000171657512 484008558 /nfs/dbraw/zinc/00/85/58/484008558.db2.gz BYGJBZYCRBEBCQ-GFCCVEGCSA-N 0 3 364.498 -0.029 20 0 FBADHN CN(C)CCNC(=O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000171657519 484008004 /nfs/dbraw/zinc/00/80/04/484008004.db2.gz COXHPPDLZJYDAV-UHFFFAOYSA-N 0 3 350.471 -0.590 20 0 FBADHN CCN1CCN(C(=O)[C@@H](C)N2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000171658645 484008254 /nfs/dbraw/zinc/00/82/54/484008254.db2.gz WYLADQBXDOFBRL-MRXNPFEDSA-N 0 3 367.538 -0.071 20 0 FBADHN CCN1CCN(C(=O)[C@H](C)N2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000171658648 484008659 /nfs/dbraw/zinc/00/86/59/484008659.db2.gz WYLADQBXDOFBRL-INIZCTEOSA-N 0 3 367.538 -0.071 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000171711052 484007883 /nfs/dbraw/zinc/00/78/83/484007883.db2.gz NVKJDSOHFJUAOK-HNNXBMFYSA-N 0 3 354.499 -0.914 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000171711055 484008360 /nfs/dbraw/zinc/00/83/60/484008360.db2.gz NVKJDSOHFJUAOK-OAHLLOKOSA-N 0 3 354.499 -0.914 20 0 FBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000171711265 243210081 /nfs/dbraw/zinc/21/00/81/243210081.db2.gz RXNXQRNFEOBBPX-UHFFFAOYSA-N 0 3 357.480 -0.097 20 0 FBADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC1CCC1 ZINC000171884739 485059308 /nfs/dbraw/zinc/05/93/08/485059308.db2.gz BHONIQTVHVEVNN-UHFFFAOYSA-N 0 3 352.479 -0.279 20 0 FBADHN CN(C)CCNC(=O)C1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000171923188 484071463 /nfs/dbraw/zinc/07/14/63/484071463.db2.gz HKLWVTLIMNSHDU-INIZCTEOSA-N 0 3 362.478 -0.085 20 0 FBADHN CN(C)CCNC(=O)C1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000171923194 484071502 /nfs/dbraw/zinc/07/15/02/484071502.db2.gz HKLWVTLIMNSHDU-MRXNPFEDSA-N 0 3 362.478 -0.085 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@H](OCCO)C1)c(=O)n2C ZINC000172292567 243207213 /nfs/dbraw/zinc/20/72/13/243207213.db2.gz NVAITUQYBDLAKA-ZDUSSCGKSA-N 0 3 365.434 -0.703 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@@H](OCCO)C1)c(=O)n2C ZINC000172292570 243207127 /nfs/dbraw/zinc/20/71/27/243207127.db2.gz NVAITUQYBDLAKA-CYBMUJFWSA-N 0 3 365.434 -0.703 20 0 FBADHN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000172324166 243208500 /nfs/dbraw/zinc/20/85/00/243208500.db2.gz UAZDGFKUCDLTRK-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000172324167 243209055 /nfs/dbraw/zinc/20/90/55/243209055.db2.gz UAZDGFKUCDLTRK-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN Cn1c(=O)ccn(CC(=O)N2CCN(CC3CCOCC3)CC2)c1=O ZINC000172458726 243209629 /nfs/dbraw/zinc/20/96/29/243209629.db2.gz VDHMJLNDZPZYHD-UHFFFAOYSA-N 0 3 350.419 -0.882 20 0 FBADHN Cn1ncc2c1ncn(CC(=O)N1CCN(CC3CCOCC3)CC1)c2=O ZINC000172463662 484020813 /nfs/dbraw/zinc/02/08/13/484020813.db2.gz UGVALRQLBUDNMM-UHFFFAOYSA-N 0 3 374.445 -0.299 20 0 FBADHN Cn1c(N)c(C(=O)CN2CCCN(C3CCCC3)CC2)c(=O)n(C)c1=O ZINC000172585676 243210115 /nfs/dbraw/zinc/21/01/15/243210115.db2.gz RSERVIUVQMXRGR-UHFFFAOYSA-N 0 3 363.462 -0.201 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000172709058 484029019 /nfs/dbraw/zinc/02/90/19/484029019.db2.gz PPOUXXNDLLJDQD-UHFFFAOYSA-N 0 3 371.401 -0.017 20 0 FBADHN CC(C)(CNC(=O)CN1CC[C@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000172934033 484030804 /nfs/dbraw/zinc/03/08/04/484030804.db2.gz NUGKBMIVDMOHJB-QGZVFWFLSA-N 0 3 368.522 -0.133 20 0 FBADHN CC(C)(CNC(=O)CN1CC[C@@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000172934041 484030677 /nfs/dbraw/zinc/03/06/77/484030677.db2.gz NUGKBMIVDMOHJB-KRWDZBQOSA-N 0 3 368.522 -0.133 20 0 FBADHN O=C(CN1CC[C@H](CN2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000172935345 243207369 /nfs/dbraw/zinc/20/73/69/243207369.db2.gz BQJDGSIYZOCIKD-QGZVFWFLSA-N 0 3 374.489 -0.221 20 0 FBADHN O=C(CN1CC[C@@H](CN2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000172935353 243207907 /nfs/dbraw/zinc/20/79/07/243207907.db2.gz BQJDGSIYZOCIKD-KRWDZBQOSA-N 0 3 374.489 -0.221 20 0 FBADHN CN(C(=O)c1cn(CC(N)=O)nn1)C1CCN(CCc2ccccn2)CC1 ZINC000172944650 243210369 /nfs/dbraw/zinc/21/03/69/243210369.db2.gz IEBPARYTHXNVCC-UHFFFAOYSA-N 0 3 371.445 -0.063 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCN1CCCC1 ZINC000172979330 485104672 /nfs/dbraw/zinc/10/46/72/485104672.db2.gz IBQXEOHYIVVWAF-LBPRGKRZSA-N 0 3 357.480 -0.084 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCN1CCCC1 ZINC000172979334 485104125 /nfs/dbraw/zinc/10/41/25/485104125.db2.gz IBQXEOHYIVVWAF-GFCCVEGCSA-N 0 3 357.480 -0.084 20 0 FBADHN CC1(C)[C@@H]2CN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C[C@@H]21 ZINC000172998364 485105197 /nfs/dbraw/zinc/10/51/97/485105197.db2.gz NMZPRYCACDFQHE-IYBDPMFKSA-N 0 3 364.490 -0.423 20 0 FBADHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCN(C4CC4)C3)cc2c(=O)[nH]1 ZINC000173023865 243208107 /nfs/dbraw/zinc/20/81/07/243208107.db2.gz GJSQWMBPLAYUIB-JTQLQIEISA-N 0 3 364.427 -0.021 20 0 FBADHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCN(C4CC4)C3)cc2c(=O)[nH]1 ZINC000173023871 243209568 /nfs/dbraw/zinc/20/95/68/243209568.db2.gz GJSQWMBPLAYUIB-SNVBAGLBSA-N 0 3 364.427 -0.021 20 0 FBADHN CCN1CC[C@H](N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000173260042 243211891 /nfs/dbraw/zinc/21/18/91/243211891.db2.gz LYSUDSLXXJMFEV-NEPJUHHUSA-N 0 3 358.464 -0.565 20 0 FBADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000173260054 243211651 /nfs/dbraw/zinc/21/16/51/243211651.db2.gz LYSUDSLXXJMFEV-VXGBXAGGSA-N 0 3 358.464 -0.565 20 0 FBADHN CN(C(=O)c1cn(CC(N)=O)nn1)C1CCN(CCn2cccn2)CC1 ZINC000173279590 243214597 /nfs/dbraw/zinc/21/45/97/243214597.db2.gz NRWOTNSMLQFADB-UHFFFAOYSA-N 0 3 360.422 -0.804 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000173399831 243213344 /nfs/dbraw/zinc/21/33/44/243213344.db2.gz UKUDICSKQFIYJI-NSHDSACASA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CCN(C)CC1 ZINC000173399848 243214343 /nfs/dbraw/zinc/21/43/43/243214343.db2.gz UKUDICSKQFIYJI-LLVKDONJSA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000173500957 243212206 /nfs/dbraw/zinc/21/22/06/243212206.db2.gz MUKSHXXZHVVEQE-AAEUAGOBSA-N 0 3 357.480 -0.134 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000173500967 243213354 /nfs/dbraw/zinc/21/33/54/243213354.db2.gz MUKSHXXZHVVEQE-YPMHNXCESA-N 0 3 357.480 -0.134 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000173500976 243213434 /nfs/dbraw/zinc/21/34/34/243213434.db2.gz MUKSHXXZHVVEQE-WCQYABFASA-N 0 3 357.480 -0.134 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000173500990 243211305 /nfs/dbraw/zinc/21/13/05/243211305.db2.gz MUKSHXXZHVVEQE-DGCLKSJQSA-N 0 3 357.480 -0.134 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCC(CN3CCOCC3)CC2)cn1 ZINC000173538782 243213187 /nfs/dbraw/zinc/21/31/87/243213187.db2.gz ZJKAMMQLKVJQPR-UHFFFAOYSA-N 0 3 371.507 -0.257 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O ZINC000173603299 535880753 /nfs/dbraw/zinc/88/07/53/535880753.db2.gz RNGLWIBVDZWHML-CQSZACIVSA-N 0 3 362.430 -0.026 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O ZINC000173603368 535877827 /nfs/dbraw/zinc/87/78/27/535877827.db2.gz RNGLWIBVDZWHML-AWEZNQCLSA-N 0 3 362.430 -0.026 20 0 FBADHN CC(C)N1CCC(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000173618394 535161303 /nfs/dbraw/zinc/16/13/03/535161303.db2.gz SSEBPNSTLYBYTG-NSHDSACASA-N 0 3 351.451 -0.300 20 0 FBADHN CC(C)N1CCC(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000173618405 243213282 /nfs/dbraw/zinc/21/32/82/243213282.db2.gz SSEBPNSTLYBYTG-LLVKDONJSA-N 0 3 351.451 -0.300 20 0 FBADHN Cn1cc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c(=O)n(C)c1=O ZINC000173631111 243213741 /nfs/dbraw/zinc/21/37/41/243213741.db2.gz JNGDKUSQYSLUOP-CYBMUJFWSA-N 0 3 370.475 -0.420 20 0 FBADHN Cn1cc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c(=O)n(C)c1=O ZINC000173631135 243213148 /nfs/dbraw/zinc/21/31/48/243213148.db2.gz JNGDKUSQYSLUOP-ZDUSSCGKSA-N 0 3 370.475 -0.420 20 0 FBADHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000173668903 243214112 /nfs/dbraw/zinc/21/41/12/243214112.db2.gz NPTBMJTZTBFGIP-LBPRGKRZSA-N 0 3 358.464 -0.421 20 0 FBADHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000173668919 243210927 /nfs/dbraw/zinc/21/09/27/243210927.db2.gz NPTBMJTZTBFGIP-GFCCVEGCSA-N 0 3 358.464 -0.421 20 0 FBADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000173678544 483919747 /nfs/dbraw/zinc/91/97/47/483919747.db2.gz DNOSONMCOPZMLY-IYBDPMFKSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000173678557 483919855 /nfs/dbraw/zinc/91/98/55/483919855.db2.gz DNOSONMCOPZMLY-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000173678572 483920221 /nfs/dbraw/zinc/92/02/21/483920221.db2.gz DNOSONMCOPZMLY-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000173722910 243211538 /nfs/dbraw/zinc/21/15/38/243211538.db2.gz WGFFYLWOSPMVCH-AAEUAGOBSA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000173722921 243211124 /nfs/dbraw/zinc/21/11/24/243211124.db2.gz WGFFYLWOSPMVCH-YPMHNXCESA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000173722934 243211514 /nfs/dbraw/zinc/21/15/14/243211514.db2.gz WGFFYLWOSPMVCH-WCQYABFASA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000173722945 243211834 /nfs/dbraw/zinc/21/18/34/243211834.db2.gz WGFFYLWOSPMVCH-DGCLKSJQSA-N 0 3 357.480 -0.086 20 0 FBADHN COCCOC[C@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000173734503 243212886 /nfs/dbraw/zinc/21/28/86/243212886.db2.gz BXHGGBWROGSZBP-ZDUSSCGKSA-N 0 3 365.434 -0.581 20 0 FBADHN COCCOC[C@@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000173734520 536534266 /nfs/dbraw/zinc/53/42/66/536534266.db2.gz BXHGGBWROGSZBP-CYBMUJFWSA-N 0 3 365.434 -0.581 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCN(CC3CCOCC3)CC2)cn1 ZINC000173771307 243212353 /nfs/dbraw/zinc/21/23/53/243212353.db2.gz YPBZKFCAXYJEKH-UHFFFAOYSA-N 0 3 371.507 -0.257 20 0 FBADHN C[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)CN1CCN(C)CC1 ZINC000173816863 484194808 /nfs/dbraw/zinc/19/48/08/484194808.db2.gz AQEHVGJLDZNNAO-INIZCTEOSA-N 0 3 368.526 -0.667 20 0 FBADHN C[C@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)CN1CCN(C)CC1 ZINC000173816875 484194722 /nfs/dbraw/zinc/19/47/22/484194722.db2.gz AQEHVGJLDZNNAO-MRXNPFEDSA-N 0 3 368.526 -0.667 20 0 FBADHN CC(C)N1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC000173845534 243211048 /nfs/dbraw/zinc/21/10/48/243211048.db2.gz VTDATOIRMUASGF-QWHCGFSZSA-N 0 3 370.475 -0.280 20 0 FBADHN C[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000173914085 243211754 /nfs/dbraw/zinc/21/17/54/243211754.db2.gz WIKQSXYSNSAPRK-IRXDYDNUSA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000173914099 243212701 /nfs/dbraw/zinc/21/27/01/243212701.db2.gz WIKQSXYSNSAPRK-SJORKVTESA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000173914110 243213323 /nfs/dbraw/zinc/21/33/23/243213323.db2.gz WIKQSXYSNSAPRK-DLBZAZTESA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000173914118 243213570 /nfs/dbraw/zinc/21/35/70/243213570.db2.gz WIKQSXYSNSAPRK-IAGOWNOFSA-N 0 3 353.511 -0.014 20 0 FBADHN CC[C@@H](CO)N1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000174136771 243216059 /nfs/dbraw/zinc/21/60/59/243216059.db2.gz FQOFKZYGSPUYCN-ZWKOTPCHSA-N 0 3 370.538 -0.152 20 0 FBADHN CC[C@H](CO)N1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000174136785 243218304 /nfs/dbraw/zinc/21/83/04/243218304.db2.gz FQOFKZYGSPUYCN-QZTJIDSGSA-N 0 3 370.538 -0.152 20 0 FBADHN CC[C@@H](CO)N1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000174136798 243218446 /nfs/dbraw/zinc/21/84/46/243218446.db2.gz FQOFKZYGSPUYCN-ROUUACIJSA-N 0 3 370.538 -0.152 20 0 FBADHN CC[C@H](CO)N1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000174136813 243218554 /nfs/dbraw/zinc/21/85/54/243218554.db2.gz FQOFKZYGSPUYCN-MSOLQXFVSA-N 0 3 370.538 -0.152 20 0 FBADHN CC1(C)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000174254253 484261655 /nfs/dbraw/zinc/26/16/55/484261655.db2.gz AGAGBMNWPCDFHI-UHFFFAOYSA-N 0 3 352.479 -0.279 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCC(=O)NCCc2ccccc2)CC1=O ZINC000174374168 535881323 /nfs/dbraw/zinc/88/13/23/535881323.db2.gz IBCHKKCFVMZFFO-MRXNPFEDSA-N 0 3 360.458 -0.128 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCC(=O)NCCc2ccccc2)CC1=O ZINC000174374187 535877215 /nfs/dbraw/zinc/87/72/15/535877215.db2.gz IBCHKKCFVMZFFO-INIZCTEOSA-N 0 3 360.458 -0.128 20 0 FBADHN Cc1nn(C)c(N2CCOCC2)c1CNC[C@](C)(O)CN1CCOCC1 ZINC000174487029 484044265 /nfs/dbraw/zinc/04/42/65/484044265.db2.gz IFBYWEXCUMCQCH-SFHVURJKSA-N 0 3 367.494 -0.262 20 0 FBADHN Cc1nn(C)c(N2CCOCC2)c1CNC[C@@](C)(O)CN1CCOCC1 ZINC000174487043 484045072 /nfs/dbraw/zinc/04/50/72/484045072.db2.gz IFBYWEXCUMCQCH-GOSISDBHSA-N 0 3 367.494 -0.262 20 0 FBADHN CN1[C@@H]2CC[C@H]1CN(C(=O)c1cnc3c(c1)c(=O)n(C)c(=O)n3C)CC2 ZINC000174637140 243217269 /nfs/dbraw/zinc/21/72/69/243217269.db2.gz KUDRWXKEMJIVQO-OLZOCXBDSA-N 0 3 357.414 -0.059 20 0 FBADHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cnc3c(c1)c(=O)n(C)c(=O)n3C)C2 ZINC000174637151 243215731 /nfs/dbraw/zinc/21/57/31/243215731.db2.gz KUDRWXKEMJIVQO-QWHCGFSZSA-N 0 3 357.414 -0.059 20 0 FBADHN C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000174647480 243215688 /nfs/dbraw/zinc/21/56/88/243215688.db2.gz XWIMDLYJWZQXDT-VHSXEESVSA-N 0 3 371.235 -0.006 20 0 FBADHN C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000174647480 243215684 /nfs/dbraw/zinc/21/56/84/243215684.db2.gz XWIMDLYJWZQXDT-VHSXEESVSA-N 0 3 371.235 -0.006 20 0 FBADHN CCN(C(=O)CN(C)CCCN1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000174718924 484203618 /nfs/dbraw/zinc/20/36/18/484203618.db2.gz POEDVDVZPXRFMG-MRXNPFEDSA-N 0 3 374.551 -0.409 20 0 FBADHN CCN(C(=O)CN(C)CCCN1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000174718937 484204144 /nfs/dbraw/zinc/20/41/44/484204144.db2.gz POEDVDVZPXRFMG-INIZCTEOSA-N 0 3 374.551 -0.409 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCCN2CCN(C)CC2)CC1 ZINC000174724283 243216322 /nfs/dbraw/zinc/21/63/22/243216322.db2.gz HMXBTLPVZNAETC-INIZCTEOSA-N 0 3 353.511 -0.365 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCCN2CCN(C)CC2)CC1 ZINC000174724294 243218775 /nfs/dbraw/zinc/21/87/75/243218775.db2.gz HMXBTLPVZNAETC-MRXNPFEDSA-N 0 3 353.511 -0.365 20 0 FBADHN CN(CCCN1CCN(C)CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000174724566 484048234 /nfs/dbraw/zinc/04/82/34/484048234.db2.gz DLLCPAPOXJWZTF-UHFFFAOYSA-N 0 3 365.522 -0.364 20 0 FBADHN CN(CCCN1CCN(C)CC1)CC(=O)NC(=O)NCC(F)(F)F ZINC000174728851 484048131 /nfs/dbraw/zinc/04/81/31/484048131.db2.gz RCCRGGJFSGKNEX-UHFFFAOYSA-N 0 3 353.389 -0.056 20 0 FBADHN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)CCCN1CCN(C)CC1 ZINC000174729027 844243344 /nfs/dbraw/zinc/24/33/44/844243344.db2.gz PHUVVZCZBLIBCH-JKSUJKDBSA-N 0 3 374.551 -0.410 20 0 FBADHN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)CCCN1CCN(C)CC1 ZINC000174729042 844243606 /nfs/dbraw/zinc/24/36/06/844243606.db2.gz PHUVVZCZBLIBCH-HZPDHXFCSA-N 0 3 374.551 -0.410 20 0 FBADHN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CCCN1CCN(C)CC1 ZINC000174729053 844243812 /nfs/dbraw/zinc/24/38/12/844243812.db2.gz PHUVVZCZBLIBCH-HOTGVXAUSA-N 0 3 374.551 -0.410 20 0 FBADHN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CCCN1CCN(C)CC1 ZINC000174729065 844243536 /nfs/dbraw/zinc/24/35/36/844243536.db2.gz PHUVVZCZBLIBCH-CVEARBPZSA-N 0 3 374.551 -0.410 20 0 FBADHN CC(C)OCC[NH+]1CCN(Cc2nc3c([n-]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000174893982 243217300 /nfs/dbraw/zinc/21/73/00/243217300.db2.gz LBKIKCNRXWQDSH-UHFFFAOYSA-N 0 3 364.450 -0.497 20 0 FBADHN CNC(=O)CC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000175014395 243220125 /nfs/dbraw/zinc/22/01/25/243220125.db2.gz WIHHNOPGSJWCBQ-UHFFFAOYSA-N 0 3 362.434 -0.718 20 0 FBADHN CCN1CCN([C@@H]2CCN(CCNS(=O)(=O)CCCOC)C2)CC1 ZINC000175213173 484209851 /nfs/dbraw/zinc/20/98/51/484209851.db2.gz XADGXXYWCGEGRD-MRXNPFEDSA-N 0 3 362.540 -0.346 20 0 FBADHN CCN1CCN([C@H]2CCN(CCNS(=O)(=O)CCCOC)C2)CC1 ZINC000175213194 484209766 /nfs/dbraw/zinc/20/97/66/484209766.db2.gz XADGXXYWCGEGRD-INIZCTEOSA-N 0 3 362.540 -0.346 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000175407654 535652344 /nfs/dbraw/zinc/65/23/44/535652344.db2.gz POCUIIARPREKJX-HNNXBMFYSA-N 0 3 360.524 -0.104 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000175407681 535652778 /nfs/dbraw/zinc/65/27/78/535652778.db2.gz POCUIIARPREKJX-OAHLLOKOSA-N 0 3 360.524 -0.104 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000175410637 484282771 /nfs/dbraw/zinc/28/27/71/484282771.db2.gz HIGFMYOKXKMRQL-NSHDSACASA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000175410658 484234528 /nfs/dbraw/zinc/23/45/28/484234528.db2.gz HIGFMYOKXKMRQL-LLVKDONJSA-N 0 3 357.480 -0.086 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCn2c3ccccc3[nH]c2=O)CC1=O ZINC000175434629 535881398 /nfs/dbraw/zinc/88/13/98/535881398.db2.gz BJAARDMZFIUCNX-CYBMUJFWSA-N 0 3 359.430 -0.144 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCn2c3ccccc3[nH]c2=O)CC1=O ZINC000175434649 535878761 /nfs/dbraw/zinc/87/87/61/535878761.db2.gz BJAARDMZFIUCNX-ZDUSSCGKSA-N 0 3 359.430 -0.144 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C)CC(=O)N1CCOCC1 ZINC000175592564 243221971 /nfs/dbraw/zinc/22/19/71/243221971.db2.gz OSSQLWIWEJECNV-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN O=C1NC[C@@H]2CN(CCCCCN3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175877996 243221228 /nfs/dbraw/zinc/22/12/28/243221228.db2.gz ILALCDZQRDEVDA-GASCZTMLSA-N 0 3 350.467 -0.425 20 0 FBADHN O=C1NC[C@@H]2CN(CCCCCN3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175878004 243221510 /nfs/dbraw/zinc/22/15/10/243221510.db2.gz ILALCDZQRDEVDA-HUUCEWRRSA-N 0 3 350.467 -0.425 20 0 FBADHN O=C1NC[C@@H]2CN(CCCCCCN3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175925583 243220937 /nfs/dbraw/zinc/22/09/37/243220937.db2.gz CCBICUYVAVAUNQ-IYBDPMFKSA-N 0 3 364.494 -0.034 20 0 FBADHN O=C1NC[C@@H]2CN(CCCCCCN3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175925603 243222461 /nfs/dbraw/zinc/22/24/61/243222461.db2.gz CCBICUYVAVAUNQ-HZPDHXFCSA-N 0 3 364.494 -0.034 20 0 FBADHN CN1CCN([C@H]2CCCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000175985252 243220969 /nfs/dbraw/zinc/22/09/69/243220969.db2.gz QPJUHRCUMGWLII-AWEZNQCLSA-N 0 3 360.524 -0.057 20 0 FBADHN CN1CCN([C@@H]2CCCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000175985274 243221308 /nfs/dbraw/zinc/22/13/08/243221308.db2.gz QPJUHRCUMGWLII-CQSZACIVSA-N 0 3 360.524 -0.057 20 0 FBADHN CN(C)Cc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000176063883 535995717 /nfs/dbraw/zinc/99/57/17/535995717.db2.gz DZOWTDDXNSHFQG-UHFFFAOYSA-N 0 3 354.476 -0.206 20 0 FBADHN CN(C)Cc1cccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000176066145 484220497 /nfs/dbraw/zinc/22/04/97/484220497.db2.gz MNYIRGQMHXYAJM-UHFFFAOYSA-N 0 3 354.476 -0.206 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176163901 483535936 /nfs/dbraw/zinc/53/59/36/483535936.db2.gz YFNNCGHJBRVENM-IRXDYDNUSA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176163918 243219520 /nfs/dbraw/zinc/21/95/20/243219520.db2.gz YFNNCGHJBRVENM-SJORKVTESA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176163930 483537007 /nfs/dbraw/zinc/53/70/07/483537007.db2.gz 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C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178504134 484232401 /nfs/dbraw/zinc/23/24/01/484232401.db2.gz WUBNPKPHUBPKIK-LSDHHAIUSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178504148 484232479 /nfs/dbraw/zinc/23/24/79/484232479.db2.gz WUBNPKPHUBPKIK-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN O=C(CN1CCN2CCC[C@@H]2C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000178619500 243226363 /nfs/dbraw/zinc/22/63/63/243226363.db2.gz DPDNZZCQFAOASN-HZPDHXFCSA-N 0 3 370.519 -0.902 20 0 FBADHN O=C(CN1CCN2CCC[C@H]2C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000178619511 243227012 /nfs/dbraw/zinc/22/70/12/243227012.db2.gz DPDNZZCQFAOASN-JKSUJKDBSA-N 0 3 370.519 -0.902 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)CC1=O ZINC000178718881 535552851 /nfs/dbraw/zinc/55/28/51/535552851.db2.gz INJKQKQXCYRCNB-BRWVUGGUSA-N 0 3 363.506 -0.565 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000178724616 535970320 /nfs/dbraw/zinc/97/03/20/535970320.db2.gz CZYNQYDCSVDRLQ-LJQANCHMSA-N 0 3 374.441 -0.513 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000178724629 535950685 /nfs/dbraw/zinc/95/06/85/535950685.db2.gz CZYNQYDCSVDRLQ-IBGZPJMESA-N 0 3 374.441 -0.513 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000178728979 484150736 /nfs/dbraw/zinc/15/07/36/484150736.db2.gz KSKQPBZFTYOGPP-INIZCTEOSA-N 0 3 362.478 -0.383 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000178728992 484150784 /nfs/dbraw/zinc/15/07/84/484150784.db2.gz KSKQPBZFTYOGPP-MRXNPFEDSA-N 0 3 362.478 -0.383 20 0 FBADHN CCN1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000178738881 535638956 /nfs/dbraw/zinc/63/89/56/535638956.db2.gz CHFKGOJJTFEJQI-IRXDYDNUSA-N 0 3 365.522 -0.223 20 0 FBADHN CCN1CCN(C(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000178738906 535638434 /nfs/dbraw/zinc/63/84/34/535638434.db2.gz CHFKGOJJTFEJQI-DLBZAZTESA-N 0 3 365.522 -0.223 20 0 FBADHN CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C[C@@H]1CCOC1 ZINC000178767219 243226840 /nfs/dbraw/zinc/22/68/40/243226840.db2.gz CCVQYGCHZLMKGE-AWEZNQCLSA-N 0 3 373.461 -0.020 20 0 FBADHN CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C[C@H]1CCOC1 ZINC000178767233 243224566 /nfs/dbraw/zinc/22/45/66/243224566.db2.gz CCVQYGCHZLMKGE-CQSZACIVSA-N 0 3 373.461 -0.020 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803109 243228051 /nfs/dbraw/zinc/22/80/51/243228051.db2.gz UWJMMFPTMJPPSC-SJORKVTESA-N 0 3 360.458 -0.394 20 0 FBADHN N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803120 243226160 /nfs/dbraw/zinc/22/61/60/243226160.db2.gz UWJMMFPTMJPPSC-IAGOWNOFSA-N 0 3 360.458 -0.394 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803130 243225924 /nfs/dbraw/zinc/22/59/24/243225924.db2.gz UWJMMFPTMJPPSC-IRXDYDNUSA-N 0 3 360.458 -0.394 20 0 FBADHN N[C@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803135 243226340 /nfs/dbraw/zinc/22/63/40/243226340.db2.gz UWJMMFPTMJPPSC-DLBZAZTESA-N 0 3 360.458 -0.394 20 0 FBADHN NC[C@@H](C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000178803149 243225991 /nfs/dbraw/zinc/22/59/91/243225991.db2.gz SEROCDKOHHSIJF-IAGOWNOFSA-N 0 3 360.458 -0.222 20 0 FBADHN NC[C@H](C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000178803158 243227332 /nfs/dbraw/zinc/22/73/32/243227332.db2.gz SEROCDKOHHSIJF-SJORKVTESA-N 0 3 360.458 -0.222 20 0 FBADHN NC[C@@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000178803169 243227739 /nfs/dbraw/zinc/22/77/39/243227739.db2.gz SEROCDKOHHSIJF-DLBZAZTESA-N 0 3 360.458 -0.222 20 0 FBADHN NC[C@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000178803181 243226608 /nfs/dbraw/zinc/22/66/08/243226608.db2.gz SEROCDKOHHSIJF-IRXDYDNUSA-N 0 3 360.458 -0.222 20 0 FBADHN NC1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000178803242 243226463 /nfs/dbraw/zinc/22/64/63/243226463.db2.gz LODHBLUDWAMRIF-QGZVFWFLSA-N 0 3 372.469 -0.468 20 0 FBADHN NC1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000178803251 243227182 /nfs/dbraw/zinc/22/71/82/243227182.db2.gz LODHBLUDWAMRIF-KRWDZBQOSA-N 0 3 372.469 -0.468 20 0 FBADHN C[C@H]([NH3+])C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000178821032 243224354 /nfs/dbraw/zinc/22/43/54/243224354.db2.gz IWEMIMLFFCSDDB-QMMMGPOBSA-N 0 3 359.224 -0.115 20 0 FBADHN C[C@@H]([NH3+])C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000178821043 243227093 /nfs/dbraw/zinc/22/70/93/243227093.db2.gz IWEMIMLFFCSDDB-MRVPVSSYSA-N 0 3 359.224 -0.115 20 0 FBADHN Cn1c2[nH]c(CN3CCN(C[C@@H]4CCOC4)CC3)nc2c(=O)n(C)c1=O ZINC000178826826 243226583 /nfs/dbraw/zinc/22/65/83/243226583.db2.gz GBXIMUMBLHVMOK-LBPRGKRZSA-N 0 3 362.434 -0.886 20 0 FBADHN Cn1c2[nH]c(CN3CCN(C[C@H]4CCOC4)CC3)nc2c(=O)n(C)c1=O ZINC000178826836 243227967 /nfs/dbraw/zinc/22/79/67/243227967.db2.gz GBXIMUMBLHVMOK-GFCCVEGCSA-N 0 3 362.434 -0.886 20 0 FBADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)N1CCN(c2cnccn2)CC1 ZINC000178832472 484233626 /nfs/dbraw/zinc/23/36/26/484233626.db2.gz SOSVWJBBMUVEQE-KRWDZBQOSA-N 0 3 374.489 -0.221 20 0 FBADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)N1CCN(c2cnccn2)CC1 ZINC000178832478 484233845 /nfs/dbraw/zinc/23/38/45/484233845.db2.gz SOSVWJBBMUVEQE-QGZVFWFLSA-N 0 3 374.489 -0.221 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC([C@@H](C)[NH3+])CC2)cn1C ZINC000178851079 243227813 /nfs/dbraw/zinc/22/78/13/243227813.db2.gz CLOWGMWLZWQXOA-LLVKDONJSA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC([C@H](C)[NH3+])CC2)cn1C ZINC000178851091 243226761 /nfs/dbraw/zinc/22/67/61/243226761.db2.gz CLOWGMWLZWQXOA-NSHDSACASA-N 0 3 357.480 -0.017 20 0 FBADHN CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H]1CC[NH2+]C1 ZINC000178897210 243225888 /nfs/dbraw/zinc/22/58/88/243225888.db2.gz JJAUZJBDGZBNRY-SECBINFHSA-N 0 3 359.224 -0.100 20 0 FBADHN CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H]1CC[NH2+]C1 ZINC000178897221 243227282 /nfs/dbraw/zinc/22/72/82/243227282.db2.gz JJAUZJBDGZBNRY-VIFPVBQESA-N 0 3 359.224 -0.100 20 0 FBADHN CCCN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000178920508 535201477 /nfs/dbraw/zinc/20/14/77/535201477.db2.gz DOUUITHEGCNGMQ-CYBMUJFWSA-N 0 3 357.480 -0.003 20 0 FBADHN CCCN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H]1CC[NH2+]C1 ZINC000178920517 535201915 /nfs/dbraw/zinc/20/19/15/535201915.db2.gz DOUUITHEGCNGMQ-ZDUSSCGKSA-N 0 3 357.480 -0.003 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CNC2(CO)CCCC2)CC1 ZINC000179059584 484387368 /nfs/dbraw/zinc/38/73/68/484387368.db2.gz XCJFGZHTHARNNQ-UHFFFAOYSA-N 0 3 373.461 -0.093 20 0 FBADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)CC1=O ZINC000179099376 535552738 /nfs/dbraw/zinc/55/27/38/535552738.db2.gz YVUKCLIQZWDHSB-ZIAGYGMSSA-N 0 3 373.457 -0.013 20 0 FBADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)CC1=O ZINC000179099376 535552732 /nfs/dbraw/zinc/55/27/32/535552732.db2.gz YVUKCLIQZWDHSB-ZIAGYGMSSA-N 0 3 373.457 -0.013 20 0 FBADHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)CC1=O ZINC000179099389 243229954 /nfs/dbraw/zinc/22/99/54/243229954.db2.gz YVUKCLIQZWDHSB-KGLIPLIRSA-N 0 3 373.457 -0.013 20 0 FBADHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)CC1=O ZINC000179099389 243229950 /nfs/dbraw/zinc/22/99/50/243229950.db2.gz YVUKCLIQZWDHSB-KGLIPLIRSA-N 0 3 373.457 -0.013 20 0 FBADHN COC(=O)C[C@H]1CCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000179143525 243231065 /nfs/dbraw/zinc/23/10/65/243231065.db2.gz KNSDNXNGUHNBSE-GFCCVEGCSA-N 0 3 363.418 -0.149 20 0 FBADHN COC(=O)C[C@@H]1CCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000179143534 536316968 /nfs/dbraw/zinc/31/69/68/536316968.db2.gz KNSDNXNGUHNBSE-LBPRGKRZSA-N 0 3 363.418 -0.149 20 0 FBADHN CN(CCC1CC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000179244868 660529139 /nfs/dbraw/zinc/52/91/39/660529139.db2.gz MAUJOJZKLQNXNM-UHFFFAOYSA-N 0 3 352.479 -0.279 20 0 FBADHN COCCO[C@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000179344000 483454885 /nfs/dbraw/zinc/45/48/85/483454885.db2.gz PXGHMLIBRIIVAJ-ZDUSSCGKSA-N 0 3 365.434 -0.439 20 0 FBADHN COCCO[C@@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000179344012 484191709 /nfs/dbraw/zinc/19/17/09/484191709.db2.gz PXGHMLIBRIIVAJ-CYBMUJFWSA-N 0 3 365.434 -0.439 20 0 FBADHN COCCNCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000179380874 243231496 /nfs/dbraw/zinc/23/14/96/243231496.db2.gz DADKUDSFKFMPDV-UHFFFAOYSA-N 0 3 360.414 -0.590 20 0 FBADHN Cn1cnn(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1=O ZINC000179423971 243231582 /nfs/dbraw/zinc/23/15/82/243231582.db2.gz RBIJPLJDXYMFRC-UHFFFAOYSA-N 0 3 372.473 -0.094 20 0 FBADHN Cn1cc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c(=O)n(C)c1=O ZINC000179432865 243231087 /nfs/dbraw/zinc/23/10/87/243231087.db2.gz JLAXUVWEHCVTKE-CYBMUJFWSA-N 0 3 358.464 -0.622 20 0 FBADHN Cn1cc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c(=O)n(C)c1=O ZINC000179432873 243231869 /nfs/dbraw/zinc/23/18/69/243231869.db2.gz JLAXUVWEHCVTKE-ZDUSSCGKSA-N 0 3 358.464 -0.622 20 0 FBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)Cn3ncn(C)c3=O)cc21 ZINC000179462594 535933772 /nfs/dbraw/zinc/93/37/72/535933772.db2.gz RULQYCYSLVNXAS-UHFFFAOYSA-N 0 3 360.374 -0.310 20 0 FBADHN Cn1cnn(CC(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1=O ZINC000179469328 243230274 /nfs/dbraw/zinc/23/02/74/243230274.db2.gz SBADSNKKCHJZNS-AWEZNQCLSA-N 0 3 372.429 -0.082 20 0 FBADHN Cn1cnn(CC(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c1=O ZINC000179469339 243231189 /nfs/dbraw/zinc/23/11/89/243231189.db2.gz SBADSNKKCHJZNS-CQSZACIVSA-N 0 3 372.429 -0.082 20 0 FBADHN C[C@@H]1CN(CC2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C[C@H](C)O1 ZINC000179473241 243231139 /nfs/dbraw/zinc/23/11/39/243231139.db2.gz NTJCKFMMCYQIAU-OKILXGFUSA-N 0 3 351.451 -0.070 20 0 FBADHN C[C@H]1CN(CC2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C[C@H](C)O1 ZINC000179473252 243230579 /nfs/dbraw/zinc/23/05/79/243230579.db2.gz NTJCKFMMCYQIAU-KBPBESRZSA-N 0 3 351.451 -0.070 20 0 FBADHN C[C@@H]1CN(CC2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C[C@@H](C)O1 ZINC000179473263 243231984 /nfs/dbraw/zinc/23/19/84/243231984.db2.gz NTJCKFMMCYQIAU-ZIAGYGMSSA-N 0 3 351.451 -0.070 20 0 FBADHN Cn1cnn(CC(=O)NCc2ccccc2CN2CCC(O)CC2)c1=O ZINC000179529262 243235591 /nfs/dbraw/zinc/23/55/91/243235591.db2.gz FNISAOLZVWPPPC-UHFFFAOYSA-N 0 3 359.430 -0.145 20 0 FBADHN Cn1cnn(CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1=O ZINC000179709190 243235971 /nfs/dbraw/zinc/23/59/71/243235971.db2.gz LBRZNAZWBHZTIB-UHFFFAOYSA-N 0 3 358.446 -0.354 20 0 FBADHN Cn1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(=O)n(C)c1=O ZINC000179894249 243235163 /nfs/dbraw/zinc/23/51/63/243235163.db2.gz REGCZEFLKVZRKA-ZDUSSCGKSA-N 0 3 350.419 -0.845 20 0 FBADHN Cn1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(=O)n(C)c1=O ZINC000179894267 243236578 /nfs/dbraw/zinc/23/65/78/243236578.db2.gz REGCZEFLKVZRKA-CYBMUJFWSA-N 0 3 350.419 -0.845 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCN(C)CC2)n(C)c1 ZINC000179993417 243233513 /nfs/dbraw/zinc/23/35/13/243233513.db2.gz SYLWHWKPPXSVOJ-UHFFFAOYSA-N 0 3 371.507 -0.357 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000180008674 243234626 /nfs/dbraw/zinc/23/46/26/243234626.db2.gz DRFSYEIJXIVWIO-UHFFFAOYSA-N 0 3 365.478 -0.540 20 0 FBADHN Cn1cc(CN2CCCN(CC(=O)N3CCCC3)CC2)c(=O)n(C)c1=O ZINC000180010761 243235312 /nfs/dbraw/zinc/23/53/12/243235312.db2.gz ZAGXQJUPIVPOHF-UHFFFAOYSA-N 0 3 363.462 -0.786 20 0 FBADHN O=C(Cn1cn[nH]c1=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000180525765 484207190 /nfs/dbraw/zinc/20/71/90/484207190.db2.gz NZKZSQACICMMTL-UHFFFAOYSA-N 0 3 358.446 -0.105 20 0 FBADHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)Cn3cn[nH]c3=O)cc2)C1 ZINC000180557462 484209415 /nfs/dbraw/zinc/20/94/15/484209415.db2.gz MSHIMPYSFWZPQM-ZDUSSCGKSA-N 0 3 358.402 -0.093 20 0 FBADHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)Cn3cn[nH]c3=O)cc2)C1 ZINC000180557484 484208865 /nfs/dbraw/zinc/20/88/65/484208865.db2.gz MSHIMPYSFWZPQM-CYBMUJFWSA-N 0 3 358.402 -0.093 20 0 FBADHN COc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1-n1cnnn1 ZINC000180560178 243235690 /nfs/dbraw/zinc/23/56/90/243235690.db2.gz LNNLACFDZHYJFW-UHFFFAOYSA-N 0 3 359.434 -0.010 20 0 FBADHN Cn1cnn(CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1=O ZINC000180874482 243235907 /nfs/dbraw/zinc/23/59/07/243235907.db2.gz GWMPGIAPQNBZIB-MRXNPFEDSA-N 0 3 359.430 -0.145 20 0 FBADHN Cn1cnn(CC(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1=O ZINC000180874501 243236001 /nfs/dbraw/zinc/23/60/01/243236001.db2.gz GWMPGIAPQNBZIB-INIZCTEOSA-N 0 3 359.430 -0.145 20 0 FBADHN CCN1CCN(CCCCNC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000181027226 243233402 /nfs/dbraw/zinc/23/34/02/243233402.db2.gz MJQOIQXGZZAKLU-UHFFFAOYSA-N 0 3 365.482 -0.144 20 0 FBADHN CN(CC(=O)N1CCNC[C@H]1c1cnn(C)c1)c1ncnc2[nH]cnc21 ZINC000181365898 243234005 /nfs/dbraw/zinc/23/40/05/243234005.db2.gz CVLNPCHGJCPSTN-LBPRGKRZSA-N 0 3 355.406 -0.304 20 0 FBADHN CN(CC(=O)N1CCNC[C@@H]1c1cnn(C)c1)c1ncnc2[nH]cnc21 ZINC000181365917 243233970 /nfs/dbraw/zinc/23/39/70/243233970.db2.gz CVLNPCHGJCPSTN-GFCCVEGCSA-N 0 3 355.406 -0.304 20 0 FBADHN CC(C)[C@@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)N1CCN(C)CC1 ZINC000181424948 243232706 /nfs/dbraw/zinc/23/27/06/243232706.db2.gz DFMQQYOBJWAUOB-OAHLLOKOSA-N 0 3 365.482 -0.289 20 0 FBADHN CC(C)[C@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)N1CCN(C)CC1 ZINC000181424968 535003870 /nfs/dbraw/zinc/00/38/70/535003870.db2.gz DFMQQYOBJWAUOB-HNNXBMFYSA-N 0 3 365.482 -0.289 20 0 FBADHN C[C@@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)CN1CCN(C)CC1 ZINC000181425742 243235106 /nfs/dbraw/zinc/23/51/06/243235106.db2.gz DSSNPGPRAQEQGJ-ZDUSSCGKSA-N 0 3 351.455 -0.678 20 0 FBADHN C[C@H](CNC(=O)NCCNC(=O)c1ccn[nH]1)CN1CCN(C)CC1 ZINC000181425762 243235024 /nfs/dbraw/zinc/23/50/24/243235024.db2.gz DSSNPGPRAQEQGJ-CYBMUJFWSA-N 0 3 351.455 -0.678 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000181426037 243234990 /nfs/dbraw/zinc/23/49/90/243234990.db2.gz WZDCEVOUFOWJMQ-AWEZNQCLSA-N 0 3 365.482 -0.288 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000181426054 535713475 /nfs/dbraw/zinc/71/34/75/535713475.db2.gz WZDCEVOUFOWJMQ-CQSZACIVSA-N 0 3 365.482 -0.288 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)Cn2ncn(C)c2=O)c1 ZINC000181438408 535889929 /nfs/dbraw/zinc/88/99/29/535889929.db2.gz XWQFICYUQCUKSK-UHFFFAOYSA-N 0 3 360.418 -0.810 20 0 FBADHN CN(CCN1CCN(C(=O)Cn2ncn(C)c2=O)CC1)Cc1ccccc1 ZINC000181559004 243233880 /nfs/dbraw/zinc/23/38/80/243233880.db2.gz NGWCQLHGBDKEAK-UHFFFAOYSA-N 0 3 372.473 -0.142 20 0 FBADHN CN(C)CCNC(=O)c1ccc(CNC(=O)Cn2ncn(C)c2=O)cc1 ZINC000181626971 535889914 /nfs/dbraw/zinc/88/99/14/535889914.db2.gz LEFCQVQSQVINTO-UHFFFAOYSA-N 0 3 360.418 -0.810 20 0 FBADHN O=C(NC1CC1)[C@H]1CCCN1CC(O)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000181800379 243233161 /nfs/dbraw/zinc/23/31/61/243233161.db2.gz CSRHRGZAZSWOFD-IAGOWNOFSA-N 0 3 364.490 -0.167 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181867285 536347220 /nfs/dbraw/zinc/34/72/20/536347220.db2.gz SZCMQOOSOWNBLP-UHFFFAOYSA-N 0 3 351.455 -0.582 20 0 FBADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000181879336 535702958 /nfs/dbraw/zinc/70/29/58/535702958.db2.gz LEMPJFCJSXATON-UHFFFAOYSA-N 0 3 371.507 -0.357 20 0 FBADHN Cn1cnn(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1=O ZINC000181891903 243235271 /nfs/dbraw/zinc/23/52/71/243235271.db2.gz ZUAVJAQTRYCDHS-UHFFFAOYSA-N 0 3 359.430 -0.145 20 0 FBADHN COCCCN(CCOC)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182069863 536533132 /nfs/dbraw/zinc/53/31/32/536533132.db2.gz YVJFUJRGQHBKDK-UHFFFAOYSA-N 0 3 353.423 -0.581 20 0 FBADHN COC(=O)[C@@H](C)CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000182201611 484265477 /nfs/dbraw/zinc/26/54/77/484265477.db2.gz MAAZVPBTMXEBJV-NSHDSACASA-N 0 3 363.418 -0.293 20 0 FBADHN COC(=O)[C@H](C)CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000182201629 484265140 /nfs/dbraw/zinc/26/51/40/484265140.db2.gz MAAZVPBTMXEBJV-LLVKDONJSA-N 0 3 363.418 -0.293 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000182327631 483917878 /nfs/dbraw/zinc/91/78/78/483917878.db2.gz BQZLLCNZGUBKCS-UHFFFAOYSA-N 0 3 368.526 -0.571 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000182475890 484268283 /nfs/dbraw/zinc/26/82/83/484268283.db2.gz HBWKFNBOTDARMA-UHFFFAOYSA-N 0 3 351.455 -0.136 20 0 FBADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000182557170 243237966 /nfs/dbraw/zinc/23/79/66/243237966.db2.gz QXSZZKBRIOFTEQ-RISCZKNCSA-N 0 3 357.480 -0.065 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000182557185 243239074 /nfs/dbraw/zinc/23/90/74/243239074.db2.gz QXSZZKBRIOFTEQ-FZMZJTMJSA-N 0 3 357.480 -0.065 20 0 FBADHN CCOC(=O)C[C@@H](C)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182642839 484270229 /nfs/dbraw/zinc/27/02/29/484270229.db2.gz BJBDNTQBYIUFSO-LLVKDONJSA-N 0 3 351.407 -0.293 20 0 FBADHN CCOC(=O)C[C@H](C)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182642860 484270379 /nfs/dbraw/zinc/27/03/79/484270379.db2.gz BJBDNTQBYIUFSO-NSHDSACASA-N 0 3 351.407 -0.293 20 0 FBADHN O=C(CN1CCC(CCCN2CCOCC2)CC1)N1CCNC(=O)C1 ZINC000182958857 243238417 /nfs/dbraw/zinc/23/84/17/243238417.db2.gz OOMYIQPCMJWVPC-UHFFFAOYSA-N 0 3 352.479 -0.231 20 0 FBADHN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCCN2CCN(C)CC2)C1 ZINC000182960628 484287999 /nfs/dbraw/zinc/28/79/99/484287999.db2.gz QVBYTKVDVVBNQT-QGZVFWFLSA-N 0 3 353.511 -0.317 20 0 FBADHN CC(=O)N[C@H]1CCCN(C(=O)CN(C)CCCN2CCN(C)CC2)C1 ZINC000182960641 484288388 /nfs/dbraw/zinc/28/83/88/484288388.db2.gz QVBYTKVDVVBNQT-KRWDZBQOSA-N 0 3 353.511 -0.317 20 0 FBADHN CN(CCCN1CCN(C)CC1)CC(=O)NCCCN1CCCC1=O ZINC000182962637 484287474 /nfs/dbraw/zinc/28/74/74/484287474.db2.gz IZRFIZMTZINJOZ-UHFFFAOYSA-N 0 3 353.511 -0.316 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCCN1CCN(C)CC1 ZINC000182963887 484287173 /nfs/dbraw/zinc/28/71/73/484287173.db2.gz FCNAGODDFPWUQB-HNNXBMFYSA-N 0 3 353.511 -0.319 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCCN1CCN(C)CC1 ZINC000182963906 484288116 /nfs/dbraw/zinc/28/81/16/484288116.db2.gz FCNAGODDFPWUQB-OAHLLOKOSA-N 0 3 353.511 -0.319 20 0 FBADHN CCCCCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(N)=O ZINC000183042471 535031615 /nfs/dbraw/zinc/03/16/15/535031615.db2.gz VGZJRICRGSNJTR-UHFFFAOYSA-N 0 3 364.450 -0.199 20 0 FBADHN C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000183184878 484290642 /nfs/dbraw/zinc/29/06/42/484290642.db2.gz HZKAKUDEDKMQIG-UONOGXRCSA-N 0 3 373.461 -0.285 20 0 FBADHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000183184898 484289211 /nfs/dbraw/zinc/28/92/11/484289211.db2.gz HZKAKUDEDKMQIG-ZIAGYGMSSA-N 0 3 373.461 -0.285 20 0 FBADHN C[C@H](O)[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000183184919 484290491 /nfs/dbraw/zinc/29/04/91/484290491.db2.gz HZKAKUDEDKMQIG-KBPBESRZSA-N 0 3 373.461 -0.285 20 0 FBADHN C[C@@H](O)[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000183184937 484290692 /nfs/dbraw/zinc/29/06/92/484290692.db2.gz HZKAKUDEDKMQIG-KGLIPLIRSA-N 0 3 373.461 -0.285 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC(=O)NCC2CC2)CC1=O ZINC000183281095 535552985 /nfs/dbraw/zinc/55/29/85/535552985.db2.gz QQZWHDMYZABVBS-HUUCEWRRSA-N 0 3 350.463 -0.038 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC(=O)NCC2CC2)CC1=O ZINC000183281118 243241026 /nfs/dbraw/zinc/24/10/26/243241026.db2.gz QQZWHDMYZABVBS-CABCVRRESA-N 0 3 350.463 -0.038 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000183300119 243241117 /nfs/dbraw/zinc/24/11/17/243241117.db2.gz CKWCORWYOQPWJT-AWEZNQCLSA-N 0 3 357.418 -0.258 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000183300136 536367843 /nfs/dbraw/zinc/36/78/43/536367843.db2.gz CKWCORWYOQPWJT-CQSZACIVSA-N 0 3 357.418 -0.258 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC2(C)CC[NH2+]CC2)cn1C ZINC000183312297 243240635 /nfs/dbraw/zinc/24/06/35/243240635.db2.gz YVLPPTKKSIBOKU-UHFFFAOYSA-N 0 3 357.480 -0.097 20 0 FBADHN CC1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC[NH2+]CC1 ZINC000183317832 243237704 /nfs/dbraw/zinc/23/77/04/243237704.db2.gz RXTGXNBXIBVDIQ-UHFFFAOYSA-N 0 3 359.224 -0.195 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1=O ZINC000183408088 243239570 /nfs/dbraw/zinc/23/95/70/243239570.db2.gz AHVNGMIPQPYPDB-INIZCTEOSA-N 0 3 372.425 -0.570 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1=O ZINC000183408108 243237413 /nfs/dbraw/zinc/23/74/13/243237413.db2.gz AHVNGMIPQPYPDB-MRXNPFEDSA-N 0 3 372.425 -0.570 20 0 FBADHN CNc1nnc(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000183534291 484277450 /nfs/dbraw/zinc/27/74/50/484277450.db2.gz RJBOSYFZKJKYMK-UHFFFAOYSA-N 0 3 352.464 -0.111 20 0 FBADHN Cn1c(N)c(C(=O)CN[C@@H](CCO)C2CCCCC2)c(=O)n(C)c1=O ZINC000183702702 243240354 /nfs/dbraw/zinc/24/03/54/243240354.db2.gz MFJYOHXQEDVDSN-LBPRGKRZSA-N 0 3 352.435 -0.230 20 0 FBADHN Cn1c(N)c(C(=O)CN[C@H](CCO)C2CCCCC2)c(=O)n(C)c1=O ZINC000183702724 243238260 /nfs/dbraw/zinc/23/82/60/243238260.db2.gz MFJYOHXQEDVDSN-GFCCVEGCSA-N 0 3 352.435 -0.230 20 0 FBADHN CCN(CCO)CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000183973177 243239028 /nfs/dbraw/zinc/23/90/28/243239028.db2.gz ALOPAPVMJDJOTF-UHFFFAOYSA-N 0 3 374.441 -0.511 20 0 FBADHN CCN(CCO)CCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000183979853 243238631 /nfs/dbraw/zinc/23/86/31/243238631.db2.gz IPAGZBLQZUKVKM-UHFFFAOYSA-N 0 3 357.212 -0.069 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000184182633 243239410 /nfs/dbraw/zinc/23/94/10/243239410.db2.gz FXYVLOXMQBPKIE-UHFFFAOYSA-N 0 3 351.451 -0.921 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000184211827 484290341 /nfs/dbraw/zinc/29/03/41/484290341.db2.gz LULMPLDMRUGFML-UHFFFAOYSA-N 0 3 360.524 -0.056 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000184218794 484289587 /nfs/dbraw/zinc/28/95/87/484289587.db2.gz DRQWSRNLKDYAKN-UHFFFAOYSA-N 0 3 351.432 -0.314 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000184359351 484282461 /nfs/dbraw/zinc/28/24/61/484282461.db2.gz SLJALXNIEQGSLB-GJZGRUSLSA-N 0 3 360.524 -0.200 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000184359366 484283207 /nfs/dbraw/zinc/28/32/07/484283207.db2.gz SLJALXNIEQGSLB-CABCVRRESA-N 0 3 360.524 -0.200 20 0 FBADHN C[C@@H](CNC(=O)c1cn(CC2(C)COC2)nn1)CN1CCN(C)CC1 ZINC000184374314 243240963 /nfs/dbraw/zinc/24/09/63/243240963.db2.gz KRVJXCHCVJEYNY-AWEZNQCLSA-N 0 3 350.467 -0.072 20 0 FBADHN C[C@H](CNC(=O)c1cn(CC2(C)COC2)nn1)CN1CCN(C)CC1 ZINC000184374335 243238781 /nfs/dbraw/zinc/23/87/81/243238781.db2.gz KRVJXCHCVJEYNY-CQSZACIVSA-N 0 3 350.467 -0.072 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000184403702 660533142 /nfs/dbraw/zinc/53/31/42/660533142.db2.gz QOAXDYQBSNXZJO-GJZGRUSLSA-N 0 3 360.524 -0.057 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000184403720 660533077 /nfs/dbraw/zinc/53/30/77/660533077.db2.gz QOAXDYQBSNXZJO-CABCVRRESA-N 0 3 360.524 -0.057 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000184403739 660533072 /nfs/dbraw/zinc/53/30/72/660533072.db2.gz QOAXDYQBSNXZJO-LSDHHAIUSA-N 0 3 360.524 -0.057 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000184403761 660533099 /nfs/dbraw/zinc/53/30/99/660533099.db2.gz QOAXDYQBSNXZJO-HUUCEWRRSA-N 0 3 360.524 -0.057 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000184405810 484282023 /nfs/dbraw/zinc/28/20/23/484282023.db2.gz YPJHMRUVSUPVNU-AWEZNQCLSA-N 0 3 373.457 -0.168 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000184405830 484282736 /nfs/dbraw/zinc/28/27/36/484282736.db2.gz YPJHMRUVSUPVNU-CQSZACIVSA-N 0 3 373.457 -0.168 20 0 FBADHN Cc1nccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000184938688 243243526 /nfs/dbraw/zinc/24/35/26/243243526.db2.gz PEBXSIFITQDHQA-OAHLLOKOSA-N 0 3 360.462 -0.156 20 0 FBADHN Cc1nccc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000184938700 243243856 /nfs/dbraw/zinc/24/38/56/243243856.db2.gz PEBXSIFITQDHQA-HNNXBMFYSA-N 0 3 360.462 -0.156 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1C ZINC000184945476 243244070 /nfs/dbraw/zinc/24/40/70/243244070.db2.gz XQUAPMUABXUKLH-XQQFMLRXSA-N 0 3 355.464 -0.407 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1C ZINC000184945519 243243901 /nfs/dbraw/zinc/24/39/01/243243901.db2.gz XQUAPMUABXUKLH-YNEHKIRRSA-N 0 3 355.464 -0.407 20 0 FBADHN [NH3+][C@H]1CC[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C[C@H]21 ZINC000185086361 243242140 /nfs/dbraw/zinc/24/21/40/243242140.db2.gz KSUZYSADEKYJMD-XKSSXDPKSA-N 0 3 357.208 -0.505 20 0 FBADHN [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C[C@@H]12 ZINC000185086382 243242694 /nfs/dbraw/zinc/24/26/94/243242694.db2.gz KSUZYSADEKYJMD-MRTMQBJTSA-N 0 3 357.208 -0.505 20 0 FBADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C[C@@H]12 ZINC000185086401 243244147 /nfs/dbraw/zinc/24/41/47/243244147.db2.gz KSUZYSADEKYJMD-QXFUBDJGSA-N 0 3 357.208 -0.505 20 0 FBADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C[C@@H]12 ZINC000185086423 243244218 /nfs/dbraw/zinc/24/42/18/243244218.db2.gz KSUZYSADEKYJMD-NQMVMOMDSA-N 0 3 357.208 -0.505 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000185136706 484290763 /nfs/dbraw/zinc/29/07/63/484290763.db2.gz RDBSOSJMTRBYPQ-INIZCTEOSA-N 0 3 368.526 -0.524 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000185136725 484290246 /nfs/dbraw/zinc/29/02/46/484290246.db2.gz RDBSOSJMTRBYPQ-MRXNPFEDSA-N 0 3 368.526 -0.524 20 0 FBADHN CCS(=O)(=O)N1CCC(C(=O)N2CCN(CCN(C)C)CC2)CC1 ZINC000185284678 484293192 /nfs/dbraw/zinc/29/31/92/484293192.db2.gz MXYTUCYZGBLUHJ-UHFFFAOYSA-N 0 3 360.524 -0.246 20 0 FBADHN CN(C)CCN1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000185288152 535874533 /nfs/dbraw/zinc/87/45/33/535874533.db2.gz DRZNCGYHFRJSAF-UHFFFAOYSA-N 0 3 358.446 -0.113 20 0 FBADHN OCCN1CCCN(c2cc(N3CCCN(CCO)CC3)ncn2)CC1 ZINC000185358888 243244561 /nfs/dbraw/zinc/24/45/61/243244561.db2.gz YCENAWQNFALFDP-UHFFFAOYSA-N 0 3 364.494 -0.515 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC(=O)NCC(F)(F)F ZINC000185598724 484292427 /nfs/dbraw/zinc/29/24/27/484292427.db2.gz WIPFHKLEQRYIBX-NSHDSACASA-N 0 3 353.389 -0.010 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCC(=O)NCC(F)(F)F ZINC000185598740 484293153 /nfs/dbraw/zinc/29/31/53/484293153.db2.gz WIPFHKLEQRYIBX-LLVKDONJSA-N 0 3 353.389 -0.010 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000185637722 484292398 /nfs/dbraw/zinc/29/23/98/484292398.db2.gz JBMNUCSSFADPBU-UHFFFAOYSA-N 0 3 365.482 -0.145 20 0 FBADHN Cn1nnc2cc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cnc21 ZINC000185849117 243244910 /nfs/dbraw/zinc/24/49/10/243244910.db2.gz WHNPHFDIKUQFPG-UHFFFAOYSA-N 0 3 357.418 -0.257 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185857419 243245644 /nfs/dbraw/zinc/24/56/44/243245644.db2.gz GALCMJDVASGLGN-UHFFFAOYSA-N 0 3 357.480 -0.063 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000185889259 535490708 /nfs/dbraw/zinc/49/07/08/535490708.db2.gz PKFKKCWCHYGJKT-UHFFFAOYSA-N 0 3 359.434 -0.011 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000185932373 243245774 /nfs/dbraw/zinc/24/57/74/243245774.db2.gz UKTQYDOFFHDILV-ZDUSSCGKSA-N 0 3 351.455 -0.535 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000185932392 243244853 /nfs/dbraw/zinc/24/48/53/243244853.db2.gz UKTQYDOFFHDILV-CYBMUJFWSA-N 0 3 351.455 -0.535 20 0 FBADHN CN1CCN(c2cc(N3CCN(C[C@@H]4CCOC4)CC3)ncn2)CC1=O ZINC000186141341 536420045 /nfs/dbraw/zinc/42/00/45/536420045.db2.gz PJSUCZDIBSGRIK-HNNXBMFYSA-N 0 3 360.462 -0.087 20 0 FBADHN CN1CCN(c2cc(N3CCN(C[C@H]4CCOC4)CC3)ncn2)CC1=O ZINC000186141360 536419963 /nfs/dbraw/zinc/41/99/63/536419963.db2.gz PJSUCZDIBSGRIK-OAHLLOKOSA-N 0 3 360.462 -0.087 20 0 FBADHN Cn1c2ncn(CCN3CCC(Cn4cncn4)CC3)c2c(=O)n(C)c1=O ZINC000186206740 243242799 /nfs/dbraw/zinc/24/27/99/243242799.db2.gz XSXKXFIXDYAEHF-UHFFFAOYSA-N 0 3 372.433 -0.563 20 0 FBADHN CC(=O)N1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC1 ZINC000186596613 484292032 /nfs/dbraw/zinc/29/20/32/484292032.db2.gz YCNQSCROIWLCCG-UHFFFAOYSA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCN1CCOCC1 ZINC000186598320 484292269 /nfs/dbraw/zinc/29/22/69/484292269.db2.gz MKQDBRRTBHBDCO-UHFFFAOYSA-N 0 3 359.496 -0.328 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 ZINC000186603933 484291875 /nfs/dbraw/zinc/29/18/75/484291875.db2.gz PSKASVLDBRBATA-ZDUSSCGKSA-N 0 3 357.480 -0.052 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000186603953 484292898 /nfs/dbraw/zinc/29/28/98/484292898.db2.gz PSKASVLDBRBATA-CYBMUJFWSA-N 0 3 357.480 -0.052 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CC(=O)NC1CC1 ZINC000186606016 484292994 /nfs/dbraw/zinc/29/29/94/484292994.db2.gz WWLBESIIOTVLKL-UHFFFAOYSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(CCO)CC1 ZINC000186606130 484291702 /nfs/dbraw/zinc/29/17/02/484291702.db2.gz WAWJHHIMGWBMIZ-UHFFFAOYSA-N 0 3 359.496 -0.640 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC(=O)N1CCCC1 ZINC000186608825 484292588 /nfs/dbraw/zinc/29/25/88/484292588.db2.gz VEIIDAHVZTVDRY-UHFFFAOYSA-N 0 3 357.480 -0.038 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000186625370 535677136 /nfs/dbraw/zinc/67/71/36/535677136.db2.gz OCYUFAPQRBFAJU-INIZCTEOSA-N 0 3 351.495 -0.563 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000186625390 535677432 /nfs/dbraw/zinc/67/74/32/535677432.db2.gz OCYUFAPQRBFAJU-MRXNPFEDSA-N 0 3 351.495 -0.563 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(CCCO)CC1 ZINC000186627230 484292953 /nfs/dbraw/zinc/29/29/53/484292953.db2.gz ANORDFNTFBOVOQ-UHFFFAOYSA-N 0 3 373.523 -0.250 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN(C)CCN(C)C2CC2)c(=O)[nH]c1=O ZINC000186735203 243241981 /nfs/dbraw/zinc/24/19/81/243241981.db2.gz YJZOSOZSDCVZNN-UHFFFAOYSA-N 0 3 351.451 -0.017 20 0 FBADHN CN(CCN(C)C1CC1)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000186769810 243244019 /nfs/dbraw/zinc/24/40/19/243244019.db2.gz NKJJKYGMUYHJRB-MRXNPFEDSA-N 0 3 372.535 -0.656 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N(C)CCN(C)C2CC2)cn1C ZINC000186791802 484292206 /nfs/dbraw/zinc/29/22/06/484292206.db2.gz MVUPJQJFISQCFO-UHFFFAOYSA-N 0 3 357.480 -0.050 20 0 FBADHN O=C(Cn1cn[nH]c1=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000186808198 483840378 /nfs/dbraw/zinc/84/03/78/483840378.db2.gz CQQPQYZZAJYHHF-UHFFFAOYSA-N 0 3 372.429 -0.287 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000186973747 483842515 /nfs/dbraw/zinc/84/25/15/483842515.db2.gz YSXDUUDZBWCKFY-HUUCEWRRSA-N 0 3 354.495 -0.300 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000186973763 483842703 /nfs/dbraw/zinc/84/27/03/483842703.db2.gz YSXDUUDZBWCKFY-LSDHHAIUSA-N 0 3 354.495 -0.300 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC1(N(C)C)CCC1 ZINC000186992280 243249266 /nfs/dbraw/zinc/24/92/66/243249266.db2.gz DUYZLVUUIITJDD-NSHDSACASA-N 0 3 351.451 -0.347 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC1(N(C)C)CCC1 ZINC000186992297 243249978 /nfs/dbraw/zinc/24/99/78/243249978.db2.gz DUYZLVUUIITJDD-LLVKDONJSA-N 0 3 351.451 -0.347 20 0 FBADHN CCN(CCO)CCNC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000187104663 243249202 /nfs/dbraw/zinc/24/92/02/243249202.db2.gz NHMQOGJJXCSVMN-UHFFFAOYSA-N 0 3 364.494 -0.053 20 0 FBADHN CCN(CCO)CCNC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000187114563 243246491 /nfs/dbraw/zinc/24/64/91/243246491.db2.gz DSTCCCCIHSEGIZ-UHFFFAOYSA-N 0 3 364.494 -0.053 20 0 FBADHN CCN(CCO)CCNC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000187233626 243246600 /nfs/dbraw/zinc/24/66/00/243246600.db2.gz SZPAFVNEXCAMKQ-UHFFFAOYSA-N 0 3 364.494 -0.053 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(CCO)[C@H](C)C2)C1 ZINC000187717506 535118885 /nfs/dbraw/zinc/11/88/85/535118885.db2.gz FXRSFSQNZYMYRN-IAGOWNOFSA-N 0 3 356.511 -0.542 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(CCO)[C@@H](C)C2)C1 ZINC000187717526 535118954 /nfs/dbraw/zinc/11/89/54/535118954.db2.gz FXRSFSQNZYMYRN-DLBZAZTESA-N 0 3 356.511 -0.542 20 0 FBADHN CO[C@@H]1CN[C@@H](C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000187943355 243247146 /nfs/dbraw/zinc/24/71/46/243247146.db2.gz IZUOBYDDUMLGLT-DLBZAZTESA-N 0 3 360.458 -0.176 20 0 FBADHN CN(C)C1(CN(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCC1 ZINC000188026305 483883395 /nfs/dbraw/zinc/88/33/95/483883395.db2.gz PJGKAOIWBGBGPU-UHFFFAOYSA-N 0 3 362.434 -0.624 20 0 FBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C ZINC000188038720 243249526 /nfs/dbraw/zinc/24/95/26/243249526.db2.gz RLDFGZOKBNMPGB-KDOFPFPSSA-N 0 3 352.479 -0.058 20 0 FBADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C ZINC000188038746 535649287 /nfs/dbraw/zinc/64/92/87/535649287.db2.gz RLDFGZOKBNMPGB-KSSFIOAISA-N 0 3 352.479 -0.058 20 0 FBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C ZINC000188038777 535438520 /nfs/dbraw/zinc/43/85/20/535438520.db2.gz RLDFGZOKBNMPGB-RDTXWAMCSA-N 0 3 352.479 -0.058 20 0 FBADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C ZINC000188038799 243246395 /nfs/dbraw/zinc/24/63/95/243246395.db2.gz RLDFGZOKBNMPGB-KBXCAEBGSA-N 0 3 352.479 -0.058 20 0 FBADHN CN(C)C1(CN(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCC1 ZINC000188081447 243249462 /nfs/dbraw/zinc/24/94/62/243249462.db2.gz VFOOSXDEBBXCPX-UHFFFAOYSA-N 0 3 362.434 -0.624 20 0 FBADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000188143372 536452851 /nfs/dbraw/zinc/45/28/51/536452851.db2.gz JYKNQBBAFQBCEX-LJQANCHMSA-N 0 3 372.425 -0.368 20 0 FBADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000188143392 243248272 /nfs/dbraw/zinc/24/82/72/243248272.db2.gz JYKNQBBAFQBCEX-IBGZPJMESA-N 0 3 372.425 -0.368 20 0 FBADHN CCN(CCCN1CCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000188265848 243247168 /nfs/dbraw/zinc/24/71/68/243247168.db2.gz BZSMEMVIWVGNOH-UHFFFAOYSA-N 0 3 358.464 -0.420 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188272297 243248958 /nfs/dbraw/zinc/24/89/58/243248958.db2.gz UVKIEJJAVUUGAA-NWDGAFQWSA-N 0 3 360.411 -0.176 20 0 FBADHN CNS(=O)(=O)c1ccc(CNC(=O)c2[nH]nc3c2CNCC3)s1 ZINC000188289891 536316661 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/nfs/dbraw/zinc/02/12/33/484021233.db2.gz XGLQMFINKAUXTG-MRXNPFEDSA-N 0 3 370.538 -0.010 20 0 FBADHN C[C@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCN1CC(C)(C)O ZINC000189901731 484020349 /nfs/dbraw/zinc/02/03/49/484020349.db2.gz XGLQMFINKAUXTG-INIZCTEOSA-N 0 3 370.538 -0.010 20 0 FBADHN C[C@@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCN1CC(C)(C)O ZINC000189906784 243253459 /nfs/dbraw/zinc/25/34/59/243253459.db2.gz CQOIVPCZMBOPNU-CYBMUJFWSA-N 0 3 359.496 -0.525 20 0 FBADHN C[C@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCN1CC(C)(C)O ZINC000189906801 243253771 /nfs/dbraw/zinc/25/37/71/243253771.db2.gz CQOIVPCZMBOPNU-ZDUSSCGKSA-N 0 3 359.496 -0.525 20 0 FBADHN CCOCCOCCN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000190249784 243253099 /nfs/dbraw/zinc/25/30/99/243253099.db2.gz BYJHVNYWMMGYOG-UHFFFAOYSA-N 0 3 353.423 -0.581 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H]1CO ZINC000190391502 243253405 /nfs/dbraw/zinc/25/34/05/243253405.db2.gz CXSOVTXGZBWZOL-UKRRQHHQSA-N 0 3 373.461 -0.285 20 0 FBADHN C[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H]1CO ZINC000190391520 243252331 /nfs/dbraw/zinc/25/23/31/243252331.db2.gz CXSOVTXGZBWZOL-DZGCQCFKSA-N 0 3 373.461 -0.285 20 0 FBADHN CN1CCN(CC2CCN(C(=O)NCCN3CCOCC3)CC2)CC1 ZINC000190526373 243254643 /nfs/dbraw/zinc/25/46/43/243254643.db2.gz QSPBRZLRDIMSSM-UHFFFAOYSA-N 0 3 353.511 -0.012 20 0 FBADHN O=C(CN1CCCC1)N1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000190862589 484310253 /nfs/dbraw/zinc/31/02/53/484310253.db2.gz SUMIDQHWBWVJGC-UHFFFAOYSA-N 0 3 361.372 -0.025 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCNC(=O)C1(C)C ZINC000190871583 484310674 /nfs/dbraw/zinc/31/06/74/484310674.db2.gz LSHFCZUOFHPCMB-UHFFFAOYSA-N 0 3 357.480 -0.039 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1CO ZINC000190872594 243251707 /nfs/dbraw/zinc/25/17/07/243251707.db2.gz BOXNDSKEALNSRN-KGLIPLIRSA-N 0 3 373.461 -0.428 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000190943681 536369372 /nfs/dbraw/zinc/36/93/72/536369372.db2.gz SKLPJYADKAGQCO-LLVKDONJSA-N 0 3 361.372 -0.026 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000190943703 243254609 /nfs/dbraw/zinc/25/46/09/243254609.db2.gz SKLPJYADKAGQCO-NSHDSACASA-N 0 3 361.372 -0.026 20 0 FBADHN Cn1cnn(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1=O ZINC000190981257 243252273 /nfs/dbraw/zinc/25/22/73/243252273.db2.gz IQVDCDDEJBYITE-MRXNPFEDSA-N 0 3 359.430 -0.011 20 0 FBADHN Cn1cnn(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1=O ZINC000190981270 243253282 /nfs/dbraw/zinc/25/32/82/243253282.db2.gz IQVDCDDEJBYITE-INIZCTEOSA-N 0 3 359.430 -0.011 20 0 FBADHN C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H](C)N1C[C@H](O)Cn1cccn1 ZINC000191138653 484310614 /nfs/dbraw/zinc/31/06/14/484310614.db2.gz QOCFXRWYLWLERQ-XWTMOSNGSA-N 0 3 362.478 -0.104 20 0 FBADHN CC(C)N1CCN(CCCN2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000191448165 484311161 /nfs/dbraw/zinc/31/11/61/484311161.db2.gz JYAAUGMQGNUNBG-UHFFFAOYSA-N 0 3 365.522 -0.175 20 0 FBADHN C[C@@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)CN1CCN(C)CC1 ZINC000191629545 243255303 /nfs/dbraw/zinc/25/53/03/243255303.db2.gz HLCVDSGQPOIACC-HNNXBMFYSA-N 0 3 374.489 -0.369 20 0 FBADHN C[C@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)CN1CCN(C)CC1 ZINC000191629560 243256098 /nfs/dbraw/zinc/25/60/98/243256098.db2.gz HLCVDSGQPOIACC-OAHLLOKOSA-N 0 3 374.489 -0.369 20 0 FBADHN COc1ccnc(NC2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)n1 ZINC000191692606 243256495 /nfs/dbraw/zinc/25/64/95/243256495.db2.gz UZWUWVRRMKSNLW-UHFFFAOYSA-N 0 3 360.418 -0.041 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192210690 243256038 /nfs/dbraw/zinc/25/60/38/243256038.db2.gz FTICZBZMYPSHMM-MRXNPFEDSA-N 0 3 372.425 -0.056 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192210697 243258179 /nfs/dbraw/zinc/25/81/79/243258179.db2.gz FTICZBZMYPSHMM-INIZCTEOSA-N 0 3 372.425 -0.056 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192477415 243257486 /nfs/dbraw/zinc/25/74/86/243257486.db2.gz BPVGHVWBHNQLJP-WCFLWFBJSA-N 0 3 356.448 -0.022 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192477415 243257481 /nfs/dbraw/zinc/25/74/81/243257481.db2.gz BPVGHVWBHNQLJP-WCFLWFBJSA-N 0 3 356.448 -0.022 20 0 FBADHN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000192515062 484316815 /nfs/dbraw/zinc/31/68/15/484316815.db2.gz IYWTVGRRLCPRQQ-CYBMUJFWSA-N 0 3 357.480 -0.039 20 0 FBADHN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000192515075 484316487 /nfs/dbraw/zinc/31/64/87/484316487.db2.gz IYWTVGRRLCPRQQ-ZDUSSCGKSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cn1C ZINC000192523475 243255831 /nfs/dbraw/zinc/25/58/31/243255831.db2.gz KZBYUIQSVMITRO-BETUJISGSA-N 0 3 355.464 -0.583 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1C ZINC000192523475 243255826 /nfs/dbraw/zinc/25/58/26/243255826.db2.gz KZBYUIQSVMITRO-BETUJISGSA-N 0 3 355.464 -0.583 20 0 FBADHN CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000192615395 484318003 /nfs/dbraw/zinc/31/80/03/484318003.db2.gz XHMLBRFLUMUNTJ-CYBMUJFWSA-N 0 3 357.480 -0.039 20 0 FBADHN CC[C@H]1C(=O)NCCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000192615408 484318804 /nfs/dbraw/zinc/31/88/04/484318804.db2.gz XHMLBRFLUMUNTJ-ZDUSSCGKSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000192657342 483996064 /nfs/dbraw/zinc/99/60/64/483996064.db2.gz NUJIDASVDLDLHC-CYBMUJFWSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000192657358 483996538 /nfs/dbraw/zinc/99/65/38/483996538.db2.gz NUJIDASVDLDLHC-ZDUSSCGKSA-N 0 3 357.480 -0.039 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCC[NH+]1CCCC1 ZINC000192675940 484318081 /nfs/dbraw/zinc/31/80/81/484318081.db2.gz HOHRHBGCDIKMAV-UHFFFAOYSA-N 0 3 359.224 -0.099 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000192681618 484318023 /nfs/dbraw/zinc/31/80/23/484318023.db2.gz NHNIVHULXQBRFP-CYBMUJFWSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000192681631 484318426 /nfs/dbraw/zinc/31/84/26/484318426.db2.gz NHNIVHULXQBRFP-ZDUSSCGKSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCN(CCO)CC1 ZINC000192687647 484318319 /nfs/dbraw/zinc/31/83/19/484318319.db2.gz LRZXTWAEYLFQRP-UHFFFAOYSA-N 0 3 373.523 -0.250 20 0 FBADHN CN(C)CCN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000192766651 484319199 /nfs/dbraw/zinc/31/91/99/484319199.db2.gz FZLQWEDNZMIZND-UHFFFAOYSA-N 0 3 359.430 -0.604 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC000192808955 484319267 /nfs/dbraw/zinc/31/92/67/484319267.db2.gz WSLDFWGCTQIALY-OAHLLOKOSA-N 0 3 370.523 -0.660 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC000192808972 484318067 /nfs/dbraw/zinc/31/80/67/484318067.db2.gz WSLDFWGCTQIALY-HNNXBMFYSA-N 0 3 370.523 -0.660 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(C[C@@H](C)O)C[C@H]2C)C1 ZINC000192825157 535117843 /nfs/dbraw/zinc/11/78/43/535117843.db2.gz QCZIIOLASDYVBD-KZNAEPCWSA-N 0 3 370.538 -0.154 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(C[C@@H](C)O)C[C@@H]2C)C1 ZINC000192825169 535119083 /nfs/dbraw/zinc/11/90/83/535119083.db2.gz QCZIIOLASDYVBD-RCCFBDPRSA-N 0 3 370.538 -0.154 20 0 FBADHN C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H](C)N1C[C@@H](O)Cn1cccn1 ZINC000192826314 484319724 /nfs/dbraw/zinc/31/97/24/484319724.db2.gz QOCFXRWYLWLERQ-MHORFTMASA-N 0 3 362.478 -0.104 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H](C)N1C[C@H](O)Cn1cccn1 ZINC000192826329 484318793 /nfs/dbraw/zinc/31/87/93/484318793.db2.gz QOCFXRWYLWLERQ-XMTFNYHQSA-N 0 3 362.478 -0.104 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H](C)N1C[C@@H](O)Cn1cccn1 ZINC000192826342 484318358 /nfs/dbraw/zinc/31/83/58/484318358.db2.gz QOCFXRWYLWLERQ-XDNAFOTISA-N 0 3 362.478 -0.104 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCc1nc(N(C)C)no1 ZINC000192877168 484318602 /nfs/dbraw/zinc/31/86/02/484318602.db2.gz LUMOKHQSQJSYIA-UHFFFAOYSA-N 0 3 371.467 -0.011 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(C[C@H](C)O)CC1 ZINC000192909058 484319746 /nfs/dbraw/zinc/31/97/46/484319746.db2.gz ZPIGDJVHTINWJX-ZDUSSCGKSA-N 0 3 373.523 -0.251 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000192911607 484318103 /nfs/dbraw/zinc/31/81/03/484318103.db2.gz HAGXSASVAPULIA-ZDUSSCGKSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(C)C(=O)[C@H]1C ZINC000192911629 484318988 /nfs/dbraw/zinc/31/89/88/484318988.db2.gz HAGXSASVAPULIA-CYBMUJFWSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000192914126 484319309 /nfs/dbraw/zinc/31/93/09/484319309.db2.gz LOVXINWLXBWWFV-CYBMUJFWSA-N 0 3 373.523 -0.251 20 0 FBADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)C[C@@H]2C1 ZINC000192915202 243255623 /nfs/dbraw/zinc/25/56/23/243255623.db2.gz VJHKMOMKDNIKHJ-AOOOYVTPSA-N 0 3 350.400 -0.602 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCN1CCN(C)CC1 ZINC000192927057 484320443 /nfs/dbraw/zinc/32/04/43/484320443.db2.gz MZIQSBWRCOGHNH-UHFFFAOYSA-N 0 3 372.539 -0.413 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000192933352 484321128 /nfs/dbraw/zinc/32/11/28/484321128.db2.gz ZPIGDJVHTINWJX-CYBMUJFWSA-N 0 3 373.523 -0.251 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCNC(=O)[C@@H]1C ZINC000192943223 484320400 /nfs/dbraw/zinc/32/04/00/484320400.db2.gz UWEZYBRIJMPGJK-ZDUSSCGKSA-N 0 3 357.480 -0.039 20 0 FBADHN CCN1CCN(CCNS(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 ZINC000193100547 484290173 /nfs/dbraw/zinc/29/01/73/484290173.db2.gz CNFLPDBHWDMICE-UHFFFAOYSA-N 0 3 354.476 -0.038 20 0 FBADHN CCN1CCN(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000193100582 484291293 /nfs/dbraw/zinc/29/12/93/484291293.db2.gz QLLPUSZSEYKZGB-UHFFFAOYSA-N 0 3 353.448 -0.228 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000193158231 484321024 /nfs/dbraw/zinc/32/10/24/484321024.db2.gz LYTODUDGBDCQAG-UHFFFAOYSA-N 0 3 354.476 -0.086 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1 ZINC000193158508 484290839 /nfs/dbraw/zinc/29/08/39/484290839.db2.gz QSRPCZMCCDXJMU-UHFFFAOYSA-N 0 3 354.476 -0.086 20 0 FBADHN Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1S(N)(=O)=O ZINC000193158543 484339028 /nfs/dbraw/zinc/33/90/28/484339028.db2.gz MOBVYCQAZCMVGD-UHFFFAOYSA-N 0 3 354.476 -0.038 20 0 FBADHN CN(C)CCN1CCC(NC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000193270135 483907859 /nfs/dbraw/zinc/90/78/59/483907859.db2.gz HILAQKHZYUIMGH-UHFFFAOYSA-N 0 3 368.526 -0.524 20 0 FBADHN CN(C)CCN1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000193311283 535873338 /nfs/dbraw/zinc/87/33/38/535873338.db2.gz NNFWMCHBDSSYES-UHFFFAOYSA-N 0 3 373.457 -0.214 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000193579285 484322173 /nfs/dbraw/zinc/32/21/73/484322173.db2.gz BRMRPUQDMDNBEW-HNNXBMFYSA-N 0 3 360.524 -0.198 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000193579301 484322626 /nfs/dbraw/zinc/32/26/26/484322626.db2.gz BRMRPUQDMDNBEW-OAHLLOKOSA-N 0 3 360.524 -0.198 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000193582021 484384453 /nfs/dbraw/zinc/38/44/53/484384453.db2.gz KCIJJKDKJAMJTF-GJZGRUSLSA-N 0 3 360.524 -0.200 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000193582033 484384972 /nfs/dbraw/zinc/38/49/72/484384972.db2.gz KCIJJKDKJAMJTF-CABCVRRESA-N 0 3 360.524 -0.200 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000193582047 484385020 /nfs/dbraw/zinc/38/50/20/484385020.db2.gz KCIJJKDKJAMJTF-LSDHHAIUSA-N 0 3 360.524 -0.200 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000193582057 484384809 /nfs/dbraw/zinc/38/48/09/484384809.db2.gz KCIJJKDKJAMJTF-HUUCEWRRSA-N 0 3 360.524 -0.200 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN2C[C@H]3CN(C)C[C@H]3C2)c(=O)n(C)c1=O ZINC000193629525 243255369 /nfs/dbraw/zinc/25/53/69/243255369.db2.gz MFPLORVKRIWYMQ-BETUJISGSA-N 0 3 363.462 -0.539 20 0 FBADHN O=C(CN1CCN(C(=O)C2CCN(C3CC3)CC2)CC1)N1CCOCC1 ZINC000193924309 484466438 /nfs/dbraw/zinc/46/64/38/484466438.db2.gz ZWCPLSBEEXMFML-UHFFFAOYSA-N 0 3 364.490 -0.136 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000193932401 484324854 /nfs/dbraw/zinc/32/48/54/484324854.db2.gz HKWOAKDJQVHUEB-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN O=C(CN1CCOCC1)N1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000193984916 243260948 /nfs/dbraw/zinc/26/09/48/243260948.db2.gz LANMYNZTOMSPGU-UHFFFAOYSA-N 0 3 364.490 -0.136 20 0 FBADHN CN(C)CCN1CCC(NC(=O)NCC(=O)NCC(F)(F)F)CC1 ZINC000194428112 484428305 /nfs/dbraw/zinc/42/83/05/484428305.db2.gz OPSDGVRNULPXGW-UHFFFAOYSA-N 0 3 353.389 -0.010 20 0 FBADHN Cc1ccn(CC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c(=O)c1 ZINC000194755462 484327317 /nfs/dbraw/zinc/32/73/17/484327317.db2.gz BZWCNENZSAMUFT-UHFFFAOYSA-N 0 3 360.418 -0.330 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C(=O)NCC[C@H]2C)CC1=O ZINC000195165716 484321750 /nfs/dbraw/zinc/32/17/50/484321750.db2.gz MBQWANQISDDHPB-IXYNUQLISA-N 0 3 350.463 -0.040 20 0 FBADHN CN(CCNC(=O)Cn1cc(S(N)(=O)=O)cn1)Cc1ccccc1 ZINC000195182057 484321240 /nfs/dbraw/zinc/32/12/40/484321240.db2.gz HEDHFOZUYXWOPX-UHFFFAOYSA-N 0 3 351.432 -0.221 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCNC(=O)C1CC1 ZINC000195334108 484323226 /nfs/dbraw/zinc/32/32/26/484323226.db2.gz AEOPDPBJCMSMSK-UHFFFAOYSA-N 0 3 357.480 -0.134 20 0 FBADHN CN(C)CCNC(=O)C1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000195340692 484323186 /nfs/dbraw/zinc/32/31/86/484323186.db2.gz GWNNBWIQPBPQDZ-UHFFFAOYSA-N 0 3 374.445 -0.588 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000195475891 484431005 /nfs/dbraw/zinc/43/10/05/484431005.db2.gz QIFLRVQZUPVOAI-ZWNOBZJWSA-N 0 3 357.480 -0.136 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000195475895 484430336 /nfs/dbraw/zinc/43/03/36/484430336.db2.gz QIFLRVQZUPVOAI-MFKMUULPSA-N 0 3 357.480 -0.136 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000195475898 484430230 /nfs/dbraw/zinc/43/02/30/484430230.db2.gz QIFLRVQZUPVOAI-GXFFZTMASA-N 0 3 357.480 -0.136 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000195475901 484430169 /nfs/dbraw/zinc/43/01/69/484430169.db2.gz QIFLRVQZUPVOAI-GWCFXTLKSA-N 0 3 357.480 -0.136 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236641785 243260138 /nfs/dbraw/zinc/26/01/38/243260138.db2.gz XRGYSQIZAIRHQD-VIFPVBQESA-N 0 3 359.224 -0.195 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236641815 243260298 /nfs/dbraw/zinc/26/02/98/243260298.db2.gz XRGYSQIZAIRHQD-SECBINFHSA-N 0 3 359.224 -0.195 20 0 FBADHN CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)s1 ZINC000236659559 534458933 /nfs/dbraw/zinc/45/89/33/534458933.db2.gz RSSSXKHWTDARDB-UHFFFAOYSA-N 0 3 360.505 -0.390 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cn1C ZINC000236662452 484384048 /nfs/dbraw/zinc/38/40/48/484384048.db2.gz QFVMKLYBKMIVSP-ZDUSSCGKSA-N 0 3 357.480 -0.065 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)s1 ZINC000236670669 243261203 /nfs/dbraw/zinc/26/12/03/243261203.db2.gz YIBISHBHINZUEE-UHFFFAOYSA-N 0 3 360.505 -0.042 20 0 FBADHN CCN1CCN(Cc2ccccc2CNC(=O)CN2CCNCC2=O)CC1 ZINC000236954586 484385115 /nfs/dbraw/zinc/38/51/15/484385115.db2.gz QVNVUAGBVATQRJ-UHFFFAOYSA-N 0 3 373.501 -0.128 20 0 FBADHN CN(C)CCn1c2cc(NC(=O)CN3CCNCC3=O)ccc2oc1=O ZINC000236990028 484383638 /nfs/dbraw/zinc/38/36/38/484383638.db2.gz BLGUOBHZVLQUCO-UHFFFAOYSA-N 0 3 361.402 -0.474 20 0 FBADHN CN(CCN1CCN(C(=O)CN2CCNCC2=O)CC1)Cc1ccccc1 ZINC000237136730 484387274 /nfs/dbraw/zinc/38/72/74/484387274.db2.gz ZKSCCNPDUBONGD-UHFFFAOYSA-N 0 3 373.501 -0.306 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(C)(C)N)CC1 ZINC000237139905 243264509 /nfs/dbraw/zinc/26/45/09/243264509.db2.gz NDIDJPDVVZJRDH-UHFFFAOYSA-N 0 3 354.476 -0.024 20 0 FBADHN CNCc1ccccc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000237142177 484386951 /nfs/dbraw/zinc/38/69/51/484386951.db2.gz FJXSEZQESSYSQR-UHFFFAOYSA-N 0 3 356.386 -0.208 20 0 FBADHN C[NH2+]C[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000237169265 243263551 /nfs/dbraw/zinc/26/35/51/243263551.db2.gz VVTZNEGYBVZPKY-ZDUSSCGKSA-N 0 3 357.480 -0.145 20 0 FBADHN C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000237180569 536451881 /nfs/dbraw/zinc/45/18/81/536451881.db2.gz VLPSPDDNIYGTMP-VIFPVBQESA-N 0 3 359.224 -0.243 20 0 FBADHN CNCC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000237201575 243263216 /nfs/dbraw/zinc/26/32/16/243263216.db2.gz PKZRXNKEOLDGJB-UHFFFAOYSA-N 0 3 354.476 -0.363 20 0 FBADHN CN1CCN(CCCNC(=O)CN2CCNCC2=O)[C@@H](c2ccccc2)C1 ZINC000237202361 483955276 /nfs/dbraw/zinc/95/52/76/483955276.db2.gz BNOBMRHIJHSYLL-GOSISDBHSA-N 0 3 373.501 -0.087 20 0 FBADHN CN1CCN(Cc2ccc(CNC(=O)CN3CCNCC3=O)cc2)CC1 ZINC000237214855 484385862 /nfs/dbraw/zinc/38/58/62/484385862.db2.gz PBWSLLKLLOTEAT-UHFFFAOYSA-N 0 3 359.474 -0.518 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2(N)CC2)CC1 ZINC000237222927 243264960 /nfs/dbraw/zinc/26/49/60/243264960.db2.gz ODFOCTGIGNHJPP-UHFFFAOYSA-N 0 3 352.460 -0.270 20 0 FBADHN CNCc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000237262744 243264164 /nfs/dbraw/zinc/26/41/64/243264164.db2.gz MKEKKXBOTNTBGY-UHFFFAOYSA-N 0 3 356.386 -0.208 20 0 FBADHN CNCc1cccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000237262990 243263365 /nfs/dbraw/zinc/26/33/65/243263365.db2.gz YBPHLLANCOSVLJ-UHFFFAOYSA-N 0 3 356.386 -0.208 20 0 FBADHN C[NH2+]C[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000237288758 536464199 /nfs/dbraw/zinc/46/41/99/536464199.db2.gz VVTZNEGYBVZPKY-CYBMUJFWSA-N 0 3 357.480 -0.145 20 0 FBADHN C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000237297235 536465048 /nfs/dbraw/zinc/46/50/48/536465048.db2.gz VLPSPDDNIYGTMP-SECBINFHSA-N 0 3 359.224 -0.243 20 0 FBADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CNC2CC2)CC1 ZINC000237342015 483507990 /nfs/dbraw/zinc/50/79/90/483507990.db2.gz HZJJLDBAPBLURG-UHFFFAOYSA-N 0 3 352.460 -0.005 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)NCCCN2CC[NH2+]CC2)ccc1F ZINC000237346034 243263697 /nfs/dbraw/zinc/26/36/97/243263697.db2.gz MJCGAVXGMHSGBV-UHFFFAOYSA-N 0 3 358.439 -0.241 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCN1CC[NH2+]CC1 ZINC000237351636 243265103 /nfs/dbraw/zinc/26/51/03/243265103.db2.gz ONXHIDPCBIITKV-CYBMUJFWSA-N 0 3 372.466 -0.096 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CC[NH2+]CC1 ZINC000237351757 243263174 /nfs/dbraw/zinc/26/31/74/243263174.db2.gz GTTOKVAMYKAVIQ-GFCCVEGCSA-N 0 3 358.439 -0.486 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000237355062 243264758 /nfs/dbraw/zinc/26/47/58/243264758.db2.gz KMMFXAUQFGMTKB-BXUZGUMPSA-N 0 3 351.432 -0.097 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](N)c1ccccc1 ZINC000237355139 243264865 /nfs/dbraw/zinc/26/48/65/243264865.db2.gz KMMFXAUQFGMTKB-RISCZKNCSA-N 0 3 351.432 -0.097 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1C ZINC000237409679 243265121 /nfs/dbraw/zinc/26/51/21/243265121.db2.gz YYKACTGDCHTUNY-DGCLKSJQSA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cn1C ZINC000237410034 243264351 /nfs/dbraw/zinc/26/43/51/243264351.db2.gz YYKACTGDCHTUNY-AAEUAGOBSA-N 0 3 357.480 -0.017 20 0 FBADHN C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000237417459 243263954 /nfs/dbraw/zinc/26/39/54/243263954.db2.gz LRXIVLQWVWGUEP-IUCAKERBSA-N 0 3 359.224 -0.115 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000237423246 484386556 /nfs/dbraw/zinc/38/65/56/484386556.db2.gz HCMFOLYOXZNQBH-AEFFLSMTSA-N 0 3 374.485 -0.052 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@]2(C)CCCCN2)CC1 ZINC000237429833 484386756 /nfs/dbraw/zinc/38/67/56/484386756.db2.gz FHXZNPPLIJOXGX-CRAIPNDOSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237431615 484386479 /nfs/dbraw/zinc/38/64/79/484386479.db2.gz HCMFOLYOXZNQBH-SJLPKXTDSA-N 0 3 374.485 -0.052 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@]2(C)CCCCN2)CC1 ZINC000237435818 484387108 /nfs/dbraw/zinc/38/71/08/484387108.db2.gz FHXZNPPLIJOXGX-QAPCUYQASA-N 0 3 352.479 -0.090 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237446180 243265231 /nfs/dbraw/zinc/26/52/31/243265231.db2.gz JKBHFGLINOQSGQ-JFGNBEQYSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cn1C ZINC000237464580 243264016 /nfs/dbraw/zinc/26/40/16/243264016.db2.gz YYKACTGDCHTUNY-WCQYABFASA-N 0 3 357.480 -0.017 20 0 FBADHN C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000237470434 243263613 /nfs/dbraw/zinc/26/36/13/243263613.db2.gz LRXIVLQWVWGUEP-DTWKUNHWSA-N 0 3 359.224 -0.115 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000237493037 484386588 /nfs/dbraw/zinc/38/65/88/484386588.db2.gz HCMFOLYOXZNQBH-WMZOPIPTSA-N 0 3 374.485 -0.052 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@]2(C)CCCCN2)CC1 ZINC000237497481 484388806 /nfs/dbraw/zinc/38/88/06/484388806.db2.gz FHXZNPPLIJOXGX-MAUKXSAKSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237498918 484388578 /nfs/dbraw/zinc/38/85/78/484388578.db2.gz HCMFOLYOXZNQBH-FUHWJXTLSA-N 0 3 374.485 -0.052 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@]2(C)CCCCN2)CC1 ZINC000237503826 483958489 /nfs/dbraw/zinc/95/84/89/483958489.db2.gz FHXZNPPLIJOXGX-YJBOKZPZSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@@H]1C[NH3+] ZINC000237508468 484388607 /nfs/dbraw/zinc/38/86/07/484388607.db2.gz GURKHUYRWDETFZ-PSASIEDQSA-N 0 3 359.224 -0.115 20 0 FBADHN C[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H]1C[NH3+] ZINC000237508503 483958333 /nfs/dbraw/zinc/95/83/33/483958333.db2.gz GURKHUYRWDETFZ-SCZZXKLOSA-N 0 3 359.224 -0.115 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCN1CC[NH2+]CC1 ZINC000237517538 243264533 /nfs/dbraw/zinc/26/45/33/243264533.db2.gz ONXHIDPCBIITKV-ZDUSSCGKSA-N 0 3 372.466 -0.096 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CC[NH2+]CC1 ZINC000237517640 243263400 /nfs/dbraw/zinc/26/34/00/243263400.db2.gz GTTOKVAMYKAVIQ-LBPRGKRZSA-N 0 3 358.439 -0.486 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000237520594 243264941 /nfs/dbraw/zinc/26/49/41/243264941.db2.gz KMMFXAUQFGMTKB-SMDDNHRTSA-N 0 3 351.432 -0.097 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](N)c1ccccc1 ZINC000237520660 243264476 /nfs/dbraw/zinc/26/44/76/243264476.db2.gz KMMFXAUQFGMTKB-FZMZJTMJSA-N 0 3 351.432 -0.097 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237617686 243264292 /nfs/dbraw/zinc/26/42/92/243264292.db2.gz JKBHFGLINOQSGQ-JBLDHEPKSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@@H]2CCC[NH2+]C2)cn1C ZINC000237673048 243264307 /nfs/dbraw/zinc/26/43/07/243264307.db2.gz JTGGVGPMVUYYTR-ZDUSSCGKSA-N 0 3 357.480 -0.097 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@H]2CCC[NH2+]C2)cn1C ZINC000237673082 243265076 /nfs/dbraw/zinc/26/50/76/243265076.db2.gz JTGGVGPMVUYYTR-CYBMUJFWSA-N 0 3 357.480 -0.097 20 0 FBADHN C[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@@H]1C[NH3+] ZINC000237702259 484388302 /nfs/dbraw/zinc/38/83/02/484388302.db2.gz GURKHUYRWDETFZ-WCBMZHEXSA-N 0 3 359.224 -0.115 20 0 FBADHN C[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H]1C[NH3+] ZINC000237702292 484388434 /nfs/dbraw/zinc/38/84/34/484388434.db2.gz GURKHUYRWDETFZ-WPRPVWTQSA-N 0 3 359.224 -0.115 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000237727302 243265164 /nfs/dbraw/zinc/26/51/64/243265164.db2.gz AKVSKVRCVYRJKY-UHFFFAOYSA-N 0 3 355.464 -0.311 20 0 FBADHN O=C(NCCN1CC[NH2+]CC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000237730951 660220529 /nfs/dbraw/zinc/22/05/29/660220529.db2.gz NGJMHEBSONLSMI-UHFFFAOYSA-N 0 3 370.450 -0.099 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237734989 243264682 /nfs/dbraw/zinc/26/46/82/243264682.db2.gz BJLYNIVDRCKNNS-ZDUSSCGKSA-N 0 3 359.434 -0.220 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000237735020 243263490 /nfs/dbraw/zinc/26/34/90/243263490.db2.gz BJLYNIVDRCKNNS-CYBMUJFWSA-N 0 3 359.434 -0.220 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCN1CC[NH2+]CC1 ZINC000237767615 243264181 /nfs/dbraw/zinc/26/41/81/243264181.db2.gz MPFCHGCAHXEJCF-UHFFFAOYSA-N 0 3 366.896 -0.299 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1C ZINC000237777700 243264420 /nfs/dbraw/zinc/26/44/20/243264420.db2.gz UGZQOZZBYIZKRL-FUNVUKJBSA-N 0 3 355.464 -0.204 20 0 FBADHN NC[C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 ZINC000237801796 243264990 /nfs/dbraw/zinc/26/49/90/243264990.db2.gz NPDJLLDMCIOVLD-KRWDZBQOSA-N 0 3 360.458 -0.268 20 0 FBADHN Cn1cc(S(=O)(=O)NCCCNCc2cccnc2)cc1C(N)=O ZINC000237802823 484388514 /nfs/dbraw/zinc/38/85/14/484388514.db2.gz OMEZDUGTMJRVEO-UHFFFAOYSA-N 0 3 351.432 -0.023 20 0 FBADHN NC[C@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000237803163 243264217 /nfs/dbraw/zinc/26/42/17/243264217.db2.gz ZICRFOWQOONQCZ-KRWDZBQOSA-N 0 3 360.458 -0.268 20 0 FBADHN Cc1cc(N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)n2ncnc2n1 ZINC000237808313 484389940 /nfs/dbraw/zinc/38/99/40/484389940.db2.gz PZAQANQRFFAQDP-AWEZNQCLSA-N 0 3 359.434 -0.150 20 0 FBADHN Cc1cc(N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)n2ncnc2n1 ZINC000237808343 484390263 /nfs/dbraw/zinc/39/02/63/484390263.db2.gz PZAQANQRFFAQDP-CQSZACIVSA-N 0 3 359.434 -0.150 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](N)c1ccccc1)c(=O)n2C ZINC000237819293 243264835 /nfs/dbraw/zinc/26/48/35/243264835.db2.gz GHXDIKXDQZOUKG-GFCCVEGCSA-N 0 3 356.386 -0.750 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](N)c1ccccc1)c(=O)n2C ZINC000237819417 243264394 /nfs/dbraw/zinc/26/43/94/243264394.db2.gz GHXDIKXDQZOUKG-LBPRGKRZSA-N 0 3 356.386 -0.750 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@@H](N)c3ccccc3)c2c(=O)n(C)c1=O ZINC000237840386 243264948 /nfs/dbraw/zinc/26/49/48/243264948.db2.gz WMZOVBOZVILLCG-GFCCVEGCSA-N 0 3 356.386 -0.750 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@H](N)c3ccccc3)c2c(=O)n(C)c1=O ZINC000237840411 243264650 /nfs/dbraw/zinc/26/46/50/243264650.db2.gz WMZOVBOZVILLCG-LBPRGKRZSA-N 0 3 356.386 -0.750 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3(N)CC3)CC2)cc1 ZINC000237845666 243265047 /nfs/dbraw/zinc/26/50/47/243265047.db2.gz VQSBOAOXEVOZBJ-UHFFFAOYSA-N 0 3 366.487 -0.091 20 0 FBADHN O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCCCN1CC[NH2+]CC1 ZINC000237868323 483515401 /nfs/dbraw/zinc/51/54/01/483515401.db2.gz YFXYTXJDAYYRCF-UHFFFAOYSA-N 0 3 372.466 -0.094 20 0 FBADHN O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCCN1CC[NH2+]CC1 ZINC000237868370 243264814 /nfs/dbraw/zinc/26/48/14/243264814.db2.gz VTAUAEUUNFWJFK-UHFFFAOYSA-N 0 3 358.439 -0.485 20 0 FBADHN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000237881082 243263805 /nfs/dbraw/zinc/26/38/05/243263805.db2.gz IEXUCJSNXCTZLL-WPRPVWTQSA-N 0 3 359.224 -0.067 20 0 FBADHN O=C(CN1CCCN(C(=O)CNC[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000237889421 484389411 /nfs/dbraw/zinc/38/94/11/484389411.db2.gz OYMLZYCYXRDLCT-INIZCTEOSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000237890617 484389253 /nfs/dbraw/zinc/38/92/53/484389253.db2.gz HBNNRSJHTGQCSI-INIZCTEOSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)NCCCN1CCN(c2ncccn2)CC1 ZINC000237897452 243263097 /nfs/dbraw/zinc/26/30/97/243263097.db2.gz WXIVHQZOFMTHBO-INIZCTEOSA-N 0 3 362.478 -0.127 20 0 FBADHN Cn1cc(CNCCCN2c3ccccc3OCC2=O)c(=O)n(C)c1=O ZINC000237912024 243264150 /nfs/dbraw/zinc/26/41/50/243264150.db2.gz GWIOSOVDPSVZBA-UHFFFAOYSA-N 0 3 358.398 -0.011 20 0 FBADHN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000237919191 243265085 /nfs/dbraw/zinc/26/50/85/243265085.db2.gz IEXUCJSNXCTZLL-WCBMZHEXSA-N 0 3 359.224 -0.067 20 0 FBADHN O=C(CN1CCCN(C(=O)CNC[C@H]2CCCO2)CC1)N1CCCC1 ZINC000237923145 484390240 /nfs/dbraw/zinc/39/02/40/484390240.db2.gz OYMLZYCYXRDLCT-MRXNPFEDSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(CNC[C@H]1CCCO1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000237924059 484389763 /nfs/dbraw/zinc/38/97/63/484389763.db2.gz HBNNRSJHTGQCSI-MRXNPFEDSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(CNC[C@H]1CCCO1)NCCCN1CCN(c2ncccn2)CC1 ZINC000237928837 243264135 /nfs/dbraw/zinc/26/41/35/243264135.db2.gz WXIVHQZOFMTHBO-MRXNPFEDSA-N 0 3 362.478 -0.127 20 0 FBADHN [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000237982002 243263629 /nfs/dbraw/zinc/26/36/29/243263629.db2.gz IEXUCJSNXCTZLL-SCZZXKLOSA-N 0 3 359.224 -0.067 20 0 FBADHN N[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000238006436 243266486 /nfs/dbraw/zinc/26/64/86/243266486.db2.gz IHGFLFBHCCNRSP-IRXDYDNUSA-N 0 3 360.458 -0.017 20 0 FBADHN O=C(CNC(=O)[C@H]1C[C@@H](O)CN1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000238007222 243268617 /nfs/dbraw/zinc/26/86/17/243268617.db2.gz AMGNGHHYWYVZEL-HUUCEWRRSA-N 0 3 366.849 -0.172 20 0 FBADHN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000238010931 243266831 /nfs/dbraw/zinc/26/68/31/243266831.db2.gz IEXUCJSNXCTZLL-PSASIEDQSA-N 0 3 359.224 -0.067 20 0 FBADHN NC[C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 ZINC000238013438 243266727 /nfs/dbraw/zinc/26/67/27/243266727.db2.gz NPDJLLDMCIOVLD-QGZVFWFLSA-N 0 3 360.458 -0.268 20 0 FBADHN NC[C@@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000238014454 243267777 /nfs/dbraw/zinc/26/77/77/243267777.db2.gz ZICRFOWQOONQCZ-QGZVFWFLSA-N 0 3 360.458 -0.268 20 0 FBADHN N[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000238014748 243265723 /nfs/dbraw/zinc/26/57/23/243265723.db2.gz IHGFLFBHCCNRSP-SJORKVTESA-N 0 3 360.458 -0.017 20 0 FBADHN O=C(C[C@@H]1CSCCN1)NCCN1CCN(c2ncccn2)CC1 ZINC000238053623 243267324 /nfs/dbraw/zinc/26/73/24/243267324.db2.gz NNCHAEKPDOXRIK-CQSZACIVSA-N 0 3 350.492 -0.190 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000238070632 243268167 /nfs/dbraw/zinc/26/81/67/243268167.db2.gz SXIKHXNZOBTWOH-INIZCTEOSA-N 0 3 358.442 -0.150 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000238070893 243266925 /nfs/dbraw/zinc/26/69/25/243266925.db2.gz FROSAKUCMRYTDX-KRWDZBQOSA-N 0 3 360.458 -0.441 20 0 FBADHN O=C(C[C@H]1CSCCN1)NCCN1CCN(c2ncccn2)CC1 ZINC000238087052 243266114 /nfs/dbraw/zinc/26/61/14/243266114.db2.gz NNCHAEKPDOXRIK-AWEZNQCLSA-N 0 3 350.492 -0.190 20 0 FBADHN O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCCN1CC[NH2+]CC1 ZINC000238094189 243268493 /nfs/dbraw/zinc/26/84/93/243268493.db2.gz RNYXSZVQSXLZSH-UHFFFAOYSA-N 0 3 359.430 -0.509 20 0 FBADHN O=C(CNC(=O)[C@H]1C[C@H](O)CN1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000238096368 243266562 /nfs/dbraw/zinc/26/65/62/243266562.db2.gz AMGNGHHYWYVZEL-LSDHHAIUSA-N 0 3 366.849 -0.172 20 0 FBADHN O=C(CN1CCNCC1=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000238105896 484391255 /nfs/dbraw/zinc/39/12/55/484391255.db2.gz USHALSUCEKDRHX-UHFFFAOYSA-N 0 3 373.501 -0.258 20 0 FBADHN O=C(CN1CCNCC1=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000238105923 484391486 /nfs/dbraw/zinc/39/14/86/484391486.db2.gz FTOHJDHRSOOJPE-UHFFFAOYSA-N 0 3 359.474 -0.253 20 0 FBADHN CCN1CC[C@@H](N(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245417250 484837804 /nfs/dbraw/zinc/83/78/04/484837804.db2.gz FWJQHWBHKSXGOZ-NWDGAFQWSA-N 0 3 351.451 -0.489 20 0 FBADHN CCN1CC[C@H](N(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245417251 484838099 /nfs/dbraw/zinc/83/80/99/484838099.db2.gz FWJQHWBHKSXGOZ-RYUDHWBXSA-N 0 3 351.451 -0.489 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1=O ZINC000245440314 535879272 /nfs/dbraw/zinc/87/92/72/535879272.db2.gz UJVZYGPDUQKASR-GJZGRUSLSA-N 0 3 362.478 -0.085 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1=O ZINC000245440315 535879547 /nfs/dbraw/zinc/87/95/47/535879547.db2.gz UJVZYGPDUQKASR-LSDHHAIUSA-N 0 3 362.478 -0.085 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC(=O)NCC2CC2)CC1=O ZINC000245552743 243266992 /nfs/dbraw/zinc/26/69/92/243266992.db2.gz QQZWHDMYZABVBS-GJZGRUSLSA-N 0 3 350.463 -0.038 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(=O)NCC2CC2)CC1=O ZINC000245552745 243268017 /nfs/dbraw/zinc/26/80/17/243268017.db2.gz QQZWHDMYZABVBS-LSDHHAIUSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000245760191 243267344 /nfs/dbraw/zinc/26/73/44/243267344.db2.gz GUYBESIKXAUBAZ-NNYUYHANSA-N 0 3 350.419 -0.215 20 0 FBADHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000245760193 243266780 /nfs/dbraw/zinc/26/67/80/243266780.db2.gz GUYBESIKXAUBAZ-QCNOEVLYSA-N 0 3 350.419 -0.215 20 0 FBADHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000245760195 243266797 /nfs/dbraw/zinc/26/67/97/243266797.db2.gz GUYBESIKXAUBAZ-YFKTTZPYSA-N 0 3 350.419 -0.215 20 0 FBADHN C[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000245847565 243268084 /nfs/dbraw/zinc/26/80/84/243268084.db2.gz CIVBMGUOGDSCMU-DLBZAZTESA-N 0 3 366.506 -0.033 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C 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ZINC000250567210 243274295 /nfs/dbraw/zinc/27/42/95/243274295.db2.gz UZDRMWKRMFXFSY-HYVNUMGLSA-N 0 3 360.458 -0.048 20 0 FBADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C[C@H]12 ZINC000253559700 243278383 /nfs/dbraw/zinc/27/83/83/243278383.db2.gz KSUZYSADEKYJMD-KHQFGBGNSA-N 0 3 357.208 -0.093 20 0 FBADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C[C@H]12 ZINC000253559701 243277147 /nfs/dbraw/zinc/27/71/47/243277147.db2.gz KSUZYSADEKYJMD-OYNCUSHFSA-N 0 3 357.208 -0.093 20 0 FBADHN CNS(=O)(=O)c1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)ccc1C ZINC000261609762 243280177 /nfs/dbraw/zinc/28/01/77/243280177.db2.gz DKMZZNOOVBHXQA-AWEZNQCLSA-N 0 3 356.448 -0.059 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCNC[C@H]2c2cccnc2)cn1 ZINC000261610565 243279800 /nfs/dbraw/zinc/27/98/00/243279800.db2.gz BWNUEZTUNJSOBP-HNNXBMFYSA-N 0 3 350.448 -0.260 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCNC[C@@H]2c2cccnc2)cn1 ZINC000261610567 243279925 /nfs/dbraw/zinc/27/99/25/243279925.db2.gz BWNUEZTUNJSOBP-OAHLLOKOSA-N 0 3 350.448 -0.260 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cn1C ZINC000261632357 243281864 /nfs/dbraw/zinc/28/18/64/243281864.db2.gz ABTJXGBIEQKETM-YPMHNXCESA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1C ZINC000261650346 243280393 /nfs/dbraw/zinc/28/03/93/243280393.db2.gz JPCFLMIMKDTVTH-AWEZNQCLSA-N 0 3 356.448 -0.011 20 0 FBADHN Cn1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c(=O)n(C)c1=O ZINC000261652096 243280847 /nfs/dbraw/zinc/28/08/47/243280847.db2.gz HMRFCWVCMXZZBB-QWHCGFSZSA-N 0 3 364.427 -0.801 20 0 FBADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000261654660 243281215 /nfs/dbraw/zinc/28/12/15/243281215.db2.gz FTVPMDNEVPSVAR-UHFFFAOYSA-N 0 3 366.487 -0.434 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC3(CC[NH2+]C3)CC2)cn1C ZINC000261661767 243280203 /nfs/dbraw/zinc/28/02/03/243280203.db2.gz CDQRYGPWHSOTSZ-UHFFFAOYSA-N 0 3 355.464 -0.391 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000261667342 243281840 /nfs/dbraw/zinc/28/18/40/243281840.db2.gz LGCGNSMUKOVOJB-JSGCOSHPSA-N 0 3 362.496 -0.594 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000261667346 243280826 /nfs/dbraw/zinc/28/08/26/243280826.db2.gz LGCGNSMUKOVOJB-OCCSQVGLSA-N 0 3 362.496 -0.594 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1C ZINC000261672132 243280376 /nfs/dbraw/zinc/28/03/76/243280376.db2.gz CSHKELSQGVVBMV-OKILXGFUSA-N 0 3 369.491 -0.145 20 0 FBADHN CNC(=O)[C@H](NC(=O)CN1CCNC[C@H]1c1nccn1C)c1ccccc1 ZINC000261677390 243280141 /nfs/dbraw/zinc/28/01/41/243280141.db2.gz CTAZEKRCIYVIHW-DOTOQJQBSA-N 0 3 370.457 -0.030 20 0 FBADHN CNC(=O)[C@H](NC(=O)CN1CCNC[C@@H]1c1nccn1C)c1ccccc1 ZINC000261677392 243279893 /nfs/dbraw/zinc/27/98/93/243279893.db2.gz CTAZEKRCIYVIHW-NVXWUHKLSA-N 0 3 370.457 -0.030 20 0 FBADHN CNC(=O)[C@@H](NC(=O)CN1CCNC[C@H]1c1nccn1C)c1ccccc1 ZINC000261677395 536351400 /nfs/dbraw/zinc/35/14/00/536351400.db2.gz CTAZEKRCIYVIHW-RDJZCZTQSA-N 0 3 370.457 -0.030 20 0 FBADHN CNC(=O)[C@@H](NC(=O)CN1CCNC[C@@H]1c1nccn1C)c1ccccc1 ZINC000261677398 536351364 /nfs/dbraw/zinc/35/13/64/536351364.db2.gz CTAZEKRCIYVIHW-WBVHZDCISA-N 0 3 370.457 -0.030 20 0 FBADHN O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000261686558 243280428 /nfs/dbraw/zinc/28/04/28/243280428.db2.gz NGARPTDTCOUQGQ-AWEZNQCLSA-N 0 3 353.444 -0.102 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000261686564 243279264 /nfs/dbraw/zinc/27/92/64/243279264.db2.gz NGARPTDTCOUQGQ-CQSZACIVSA-N 0 3 353.444 -0.102 20 0 FBADHN Cc1n[n-]cc1S(=O)(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261688584 243281566 /nfs/dbraw/zinc/28/15/66/243281566.db2.gz NJQHKDRDDAZQQK-CHWSQXEVSA-N 0 3 355.464 -0.013 20 0 FBADHN Cc1n[n-]cc1S(=O)(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261688585 243280606 /nfs/dbraw/zinc/28/06/06/243280606.db2.gz NJQHKDRDDAZQQK-OLZOCXBDSA-N 0 3 355.464 -0.013 20 0 FBADHN Cc1n[n-]cc1S(=O)(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261688586 243279645 /nfs/dbraw/zinc/27/96/45/243279645.db2.gz NJQHKDRDDAZQQK-QWHCGFSZSA-N 0 3 355.464 -0.013 20 0 FBADHN Cc1n[n-]cc1S(=O)(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261688587 243280655 /nfs/dbraw/zinc/28/06/55/243280655.db2.gz NJQHKDRDDAZQQK-STQMWFEESA-N 0 3 355.464 -0.013 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1C ZINC000261690877 243282279 /nfs/dbraw/zinc/28/22/79/243282279.db2.gz MXLMDOXUKIVADF-UHFFFAOYSA-N 0 3 365.477 -0.583 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CC[C@@](C)(C[NH3+])C3)cc2c(=O)[n-]c1=O ZINC000261697896 243284397 /nfs/dbraw/zinc/28/43/97/243284397.db2.gz LHLNBDHUTDJHDB-AWEZNQCLSA-N 0 3 353.404 -0.607 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CC[C@](C)(C[NH3+])C3)cc2c(=O)[n-]c1=O ZINC000261697899 243283916 /nfs/dbraw/zinc/28/39/16/243283916.db2.gz LHLNBDHUTDJHDB-CQSZACIVSA-N 0 3 353.404 -0.607 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC3(CC[NH2+]C3)CC2)cn1C ZINC000261721700 243283253 /nfs/dbraw/zinc/28/32/53/243283253.db2.gz GXGTXEJDWMXKOJ-UHFFFAOYSA-N 0 3 369.491 -0.001 20 0 FBADHN C[C@@H](NC(=O)CN1CCNC[C@H]1c1nccn1C)C(=O)N1CCCCC1 ZINC000261728576 243284137 /nfs/dbraw/zinc/28/41/37/243284137.db2.gz JGIOPUGQYVNJJA-CABCVRRESA-N 0 3 362.478 -0.116 20 0 FBADHN C[C@H](NC(=O)CN1CCNC[C@H]1c1nccn1C)C(=O)N1CCCCC1 ZINC000261728580 243284384 /nfs/dbraw/zinc/28/43/84/243284384.db2.gz JGIOPUGQYVNJJA-GJZGRUSLSA-N 0 3 362.478 -0.116 20 0 FBADHN C[C@@H](NC(=O)CN1CCNC[C@@H]1c1nccn1C)C(=O)N1CCCCC1 ZINC000261728584 243283309 /nfs/dbraw/zinc/28/33/09/243283309.db2.gz JGIOPUGQYVNJJA-HUUCEWRRSA-N 0 3 362.478 -0.116 20 0 FBADHN C[C@H](NC(=O)CN1CCNC[C@@H]1c1nccn1C)C(=O)N1CCCCC1 ZINC000261728590 243283863 /nfs/dbraw/zinc/28/38/63/243283863.db2.gz JGIOPUGQYVNJJA-LSDHHAIUSA-N 0 3 362.478 -0.116 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261729235 243282984 /nfs/dbraw/zinc/28/29/84/243282984.db2.gz MONGQFIGPWQPQV-UHFFFAOYSA-N 0 3 365.459 -0.272 20 0 FBADHN N[C@H](C(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCOCC1 ZINC000261733396 243284304 /nfs/dbraw/zinc/28/43/04/243284304.db2.gz KAXWIDKQFUIRTA-HNNXBMFYSA-N 0 3 355.460 -0.024 20 0 FBADHN N[C@@H](C(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCOCC1 ZINC000261733399 243284101 /nfs/dbraw/zinc/28/41/01/243284101.db2.gz KAXWIDKQFUIRTA-OAHLLOKOSA-N 0 3 355.460 -0.024 20 0 FBADHN CCCS(=O)(=O)N1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000261743146 243283838 /nfs/dbraw/zinc/28/38/38/243283838.db2.gz TUKUWNKHFPZQIO-AWEZNQCLSA-N 0 3 362.496 -0.594 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261747072 243282322 /nfs/dbraw/zinc/28/23/22/243282322.db2.gz PTPGKMZWXYPYAX-UONOGXRCSA-N 0 3 361.489 -0.318 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1C ZINC000261747131 243282258 /nfs/dbraw/zinc/28/22/58/243282258.db2.gz PWMFGDIJUKUYLY-JTQLQIEISA-N 0 3 355.386 -0.157 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1C ZINC000261747132 243284639 /nfs/dbraw/zinc/28/46/39/243284639.db2.gz PWMFGDIJUKUYLY-SNVBAGLBSA-N 0 3 355.386 -0.157 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000261756638 243282384 /nfs/dbraw/zinc/28/23/84/243282384.db2.gz VGWRKTGPAOXZDU-AWEZNQCLSA-N 0 3 356.448 -0.908 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCNC[C@@H]2c2nccn2C)cn1 ZINC000261773417 243286699 /nfs/dbraw/zinc/28/66/99/243286699.db2.gz OGXVKTDEXFLHMU-CYBMUJFWSA-N 0 3 353.452 -0.922 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCNC[C@H]2c2nccn2C)cn1 ZINC000261773420 243285551 /nfs/dbraw/zinc/28/55/51/243285551.db2.gz OGXVKTDEXFLHMU-ZDUSSCGKSA-N 0 3 353.452 -0.922 20 0 FBADHN O=C(CN1CCNCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000261782029 243286311 /nfs/dbraw/zinc/28/63/11/243286311.db2.gz KDSZLFZBOPMVGG-UHFFFAOYSA-N 0 3 368.459 -0.449 20 0 FBADHN COc1ccc(NC(=O)CN2CCNCC2)cc1S(=O)(=O)N(C)C ZINC000261790108 536766882 /nfs/dbraw/zinc/76/68/82/536766882.db2.gz KXPAZNAGANWPQA-UHFFFAOYSA-N 0 3 356.448 -0.211 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000261793231 535053927 /nfs/dbraw/zinc/05/39/27/535053927.db2.gz ZEDDVGURYNIODU-AWEZNQCLSA-N 0 3 356.448 -0.025 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1C ZINC000261793415 243287025 /nfs/dbraw/zinc/28/70/25/243287025.db2.gz MBIOGJHWSOWTTA-BETUJISGSA-N 0 3 355.464 -0.535 20 0 FBADHN O=C(CN1CCNCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000261804378 243286920 /nfs/dbraw/zinc/28/69/20/243286920.db2.gz MCINGWGRYDUCEN-KRWDZBQOSA-N 0 3 374.441 -0.598 20 0 FBADHN O=C(CN1CCNCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000261804382 243286656 /nfs/dbraw/zinc/28/66/56/243286656.db2.gz MCINGWGRYDUCEN-QGZVFWFLSA-N 0 3 374.441 -0.598 20 0 FBADHN N[C@H](C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C1CCOCC1 ZINC000261807710 243285352 /nfs/dbraw/zinc/28/53/52/243285352.db2.gz OMPLHQWPNVKBTK-HNNXBMFYSA-N 0 3 368.459 -0.332 20 0 FBADHN N[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C1CCOCC1 ZINC000261807713 243287055 /nfs/dbraw/zinc/28/70/55/243287055.db2.gz OMPLHQWPNVKBTK-OAHLLOKOSA-N 0 3 368.459 -0.332 20 0 FBADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000261812150 243287069 /nfs/dbraw/zinc/28/70/69/243287069.db2.gz LXLJLXBZZGXFIL-SECBINFHSA-N 0 3 353.404 -0.964 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1 ZINC000261822141 243287010 /nfs/dbraw/zinc/28/70/10/243287010.db2.gz ASZIRMVCZDLICY-UHFFFAOYSA-N 0 3 351.450 -0.891 20 0 FBADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000261823348 243286509 /nfs/dbraw/zinc/28/65/09/243286509.db2.gz USNYUWHNDUVQKO-HNNXBMFYSA-N 0 3 360.462 -0.553 20 0 FBADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000261823351 243286023 /nfs/dbraw/zinc/28/60/23/243286023.db2.gz USNYUWHNDUVQKO-OAHLLOKOSA-N 0 3 360.462 -0.553 20 0 FBADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CCNCC1 ZINC000261825716 243285834 /nfs/dbraw/zinc/28/58/34/243285834.db2.gz HQZAWOWSEIBCIA-UHFFFAOYSA-N 0 3 356.448 -0.924 20 0 FBADHN COCCNCCNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000261830252 243286605 /nfs/dbraw/zinc/28/66/05/243286605.db2.gz AKAAUFPGNWJBPG-UHFFFAOYSA-N 0 3 354.432 -0.581 20 0 FBADHN Cn1c2ncn(CCN3CCNC[C@H]3c3cccnc3)c2c(=O)n(C)c1=O ZINC000261846888 243287617 /nfs/dbraw/zinc/28/76/17/243287617.db2.gz UXTJUNKPNDGEDI-AWEZNQCLSA-N 0 3 369.429 -0.525 20 0 FBADHN Cn1c2ncn(CCN3CCNC[C@@H]3c3cccnc3)c2c(=O)n(C)c1=O ZINC000261846897 243287195 /nfs/dbraw/zinc/28/71/95/243287195.db2.gz UXTJUNKPNDGEDI-CQSZACIVSA-N 0 3 369.429 -0.525 20 0 FBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)c1 ZINC000261854960 243286242 /nfs/dbraw/zinc/28/62/42/243286242.db2.gz PCYLVYDYAPMDLG-LLVKDONJSA-N 0 3 357.432 -0.116 20 0 FBADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000261863087 243288159 /nfs/dbraw/zinc/28/81/59/243288159.db2.gz PWPMBGLHNANLTD-LLVKDONJSA-N 0 3 355.416 -0.362 20 0 FBADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)c1 ZINC000261864654 243288098 /nfs/dbraw/zinc/28/80/98/243288098.db2.gz PZTUOWDJAGQJSV-SECBINFHSA-N 0 3 361.445 -0.285 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000261869649 243289432 /nfs/dbraw/zinc/28/94/32/243289432.db2.gz SGEOMLSVUOGZBQ-UHFFFAOYSA-N 0 3 371.463 -0.970 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000261870066 243289504 /nfs/dbraw/zinc/28/95/04/243289504.db2.gz XIQLSVFDCWUKJZ-ZWKOTPCHSA-N 0 3 373.501 -0.355 20 0 FBADHN O=C(CN1CCNCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000261885782 243289362 /nfs/dbraw/zinc/28/93/62/243289362.db2.gz UTQKJWMRNXBYPB-UHFFFAOYSA-N 0 3 368.459 -0.449 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1C ZINC000261902211 243288462 /nfs/dbraw/zinc/28/84/62/243288462.db2.gz WVIAREMAVBVXHM-FUNVUKJBSA-N 0 3 355.464 -0.252 20 0 FBADHN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000261904548 243288983 /nfs/dbraw/zinc/28/89/83/243288983.db2.gz VNSRPRWOHKCDRN-SECBINFHSA-N 0 3 373.431 -0.137 20 0 FBADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000261918885 243288299 /nfs/dbraw/zinc/28/82/99/243288299.db2.gz ZFECQAMRHWINBH-UHFFFAOYSA-N 0 3 370.450 -0.436 20 0 FBADHN COCC1(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC[NH2+]CC1 ZINC000261926671 243289031 /nfs/dbraw/zinc/28/90/31/243289031.db2.gz CHIQLYCYSAKMOF-UHFFFAOYSA-N 0 3 373.479 -0.861 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@@H]([NH3+])C2CC2)s1 ZINC000261927779 243288023 /nfs/dbraw/zinc/28/80/23/243288023.db2.gz KGNBJSSCSJRTBR-GFCCVEGCSA-N 0 3 374.488 -0.484 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@H]([NH3+])C2CC2)s1 ZINC000261927780 243289066 /nfs/dbraw/zinc/28/90/66/243289066.db2.gz KGNBJSSCSJRTBR-LBPRGKRZSA-N 0 3 374.488 -0.484 20 0 FBADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000261933069 243289878 /nfs/dbraw/zinc/28/98/78/243289878.db2.gz ZCVSEROMGBWFJH-SNVBAGLBSA-N 0 3 368.415 -0.802 20 0 FBADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000261953479 243290567 /nfs/dbraw/zinc/29/05/67/243290567.db2.gz WQOCOBVGKYPLDX-UHFFFAOYSA-N 0 3 352.460 -0.575 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000261960189 535053895 /nfs/dbraw/zinc/05/38/95/535053895.db2.gz AMNSPTRLOUSTJG-HNNXBMFYSA-N 0 3 363.418 -0.670 20 0 FBADHN COC(=O)CNC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000261964738 243292124 /nfs/dbraw/zinc/29/21/24/243292124.db2.gz AXMYPPATRNIAFX-HNNXBMFYSA-N 0 3 364.402 -0.373 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000261972369 243292686 /nfs/dbraw/zinc/29/26/86/243292686.db2.gz BMBRUFGONSAABU-HNNXBMFYSA-N 0 3 370.475 -0.347 20 0 FBADHN CNCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000261976278 243291705 /nfs/dbraw/zinc/29/17/05/243291705.db2.gz GDBKVGDZQSROBW-UHFFFAOYSA-N 0 3 355.416 -0.490 20 0 FBADHN COCCNCC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000261976321 243292360 /nfs/dbraw/zinc/29/23/60/243292360.db2.gz GESXTNVDZQEDNO-UHFFFAOYSA-N 0 3 374.463 -0.250 20 0 FBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000261980961 535772783 /nfs/dbraw/zinc/77/27/83/535772783.db2.gz WIRQMDQRMLKJEP-CABCVRRESA-N 0 3 367.471 -0.119 20 0 FBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000261980965 535774563 /nfs/dbraw/zinc/77/45/63/535774563.db2.gz WIRQMDQRMLKJEP-GJZGRUSLSA-N 0 3 367.471 -0.119 20 0 FBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000261980968 535772709 /nfs/dbraw/zinc/77/27/09/535772709.db2.gz WIRQMDQRMLKJEP-HUUCEWRRSA-N 0 3 367.471 -0.119 20 0 FBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000261980972 535774490 /nfs/dbraw/zinc/77/44/90/535774490.db2.gz WIRQMDQRMLKJEP-LSDHHAIUSA-N 0 3 367.471 -0.119 20 0 FBADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@@H](CN)C1 ZINC000261984953 243291731 /nfs/dbraw/zinc/29/17/31/243291731.db2.gz DBSRMBYSNGZLOP-JTQLQIEISA-N 0 3 364.445 -0.553 20 0 FBADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@H](CN)C1 ZINC000261984954 243292032 /nfs/dbraw/zinc/29/20/32/243292032.db2.gz DBSRMBYSNGZLOP-SNVBAGLBSA-N 0 3 364.445 -0.553 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000261996771 243291390 /nfs/dbraw/zinc/29/13/90/243291390.db2.gz DEQFMVNSVLOJRX-HNNXBMFYSA-N 0 3 370.475 -0.347 20 0 FBADHN O=C(CN1CCCN(CCC(=O)N2CCNCC2)CC1)N1CCCC1 ZINC000262001787 243291692 /nfs/dbraw/zinc/29/16/92/243291692.db2.gz DNLCUJGWFXPXGC-UHFFFAOYSA-N 0 3 351.495 -0.562 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000262003345 243291442 /nfs/dbraw/zinc/29/14/42/243291442.db2.gz DSHLWZIIHAOHBQ-JSGCOSHPSA-N 0 3 356.492 -0.348 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000262003347 243291196 /nfs/dbraw/zinc/29/11/96/243291196.db2.gz DSHLWZIIHAOHBQ-OCCSQVGLSA-N 0 3 356.492 -0.348 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000262004946 243291529 /nfs/dbraw/zinc/29/15/29/243291529.db2.gz DWFKIHCBCMCJIG-HIFRSBDPSA-N 0 3 354.451 -0.674 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000262004947 243292992 /nfs/dbraw/zinc/29/29/92/243292992.db2.gz DWFKIHCBCMCJIG-ZFWWWQNUSA-N 0 3 354.451 -0.674 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262009616 243295322 /nfs/dbraw/zinc/29/53/22/243295322.db2.gz FIDCRGRSTTVIKJ-UHFFFAOYSA-N 0 3 358.450 -0.693 20 0 FBADHN CS(=O)(=O)C1(C(=O)NCCC(=O)NCc2ccccc2)CCNCC1 ZINC000262014323 243294024 /nfs/dbraw/zinc/29/40/24/243294024.db2.gz CHKLZRNANODYKT-UHFFFAOYSA-N 0 3 367.471 -0.024 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000262014573 243293455 /nfs/dbraw/zinc/29/34/55/243293455.db2.gz FSDFXOKOPOGTGE-AWEZNQCLSA-N 0 3 356.448 -0.819 20 0 FBADHN CS(=O)(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CCNCC1 ZINC000262019808 243296034 /nfs/dbraw/zinc/29/60/34/243296034.db2.gz AGLCMKMKVMHLHW-UHFFFAOYSA-N 0 3 352.460 -0.103 20 0 FBADHN CC[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCNCC2)CCN1CCOC ZINC000262021266 243294225 /nfs/dbraw/zinc/29/42/25/243294225.db2.gz ALQQSENJDLJUPT-AWEZNQCLSA-N 0 3 361.508 -0.278 20 0 FBADHN CC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCNCC2)CCN1CCOC ZINC000262021271 535829837 /nfs/dbraw/zinc/82/98/37/535829837.db2.gz ALQQSENJDLJUPT-CQSZACIVSA-N 0 3 361.508 -0.278 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000262022767 243294244 /nfs/dbraw/zinc/29/42/44/243294244.db2.gz GGTKKCYRCIWCJG-INIZCTEOSA-N 0 3 352.410 -0.300 20 0 FBADHN C[C@@]1(c2cccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)c2)NC(=O)[N-]C1=O ZINC000262026314 243295268 /nfs/dbraw/zinc/29/52/68/243295268.db2.gz JGJIDFLDFVSKEG-BEFAXECRSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@]1(c2cccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)c2)NC(=O)[N-]C1=O ZINC000262026319 243294666 /nfs/dbraw/zinc/29/46/66/243294666.db2.gz JGJIDFLDFVSKEG-DNVCBOLYSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@]1(c2cccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)c2)NC(=O)[N-]C1=O ZINC000262026323 243294445 /nfs/dbraw/zinc/29/44/45/243294445.db2.gz JGJIDFLDFVSKEG-HNAYVOBHSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@@]1(c2cccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)c2)NC(=O)[N-]C1=O ZINC000262026328 243294912 /nfs/dbraw/zinc/29/49/12/243294912.db2.gz JGJIDFLDFVSKEG-KXBFYZLASA-N 0 3 371.441 -0.139 20 0 FBADHN COCCNCC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000262029672 243295558 /nfs/dbraw/zinc/29/55/58/243295558.db2.gz JRCAALLNWRDELC-UHFFFAOYSA-N 0 3 362.496 -0.513 20 0 FBADHN O=C(CN(CCC(=O)N1CCNCC1)C[C@@H]1CCCO1)N1CCCC1 ZINC000262031241 243294774 /nfs/dbraw/zinc/29/47/74/243294774.db2.gz GXPQWCZJBOARLT-INIZCTEOSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(CN(CCC(=O)N1CCNCC1)C[C@H]1CCCO1)N1CCCC1 ZINC000262031242 243293392 /nfs/dbraw/zinc/29/33/92/243293392.db2.gz GXPQWCZJBOARLT-MRXNPFEDSA-N 0 3 352.479 -0.088 20 0 FBADHN N[C@H](C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)C1CCOCC1 ZINC000262031348 243294888 /nfs/dbraw/zinc/29/48/88/243294888.db2.gz PKKLLAZLNJISFL-INIZCTEOSA-N 0 3 352.479 -0.199 20 0 FBADHN N[C@@H](C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)C1CCOCC1 ZINC000262031350 243295240 /nfs/dbraw/zinc/29/52/40/243295240.db2.gz PKKLLAZLNJISFL-MRXNPFEDSA-N 0 3 352.479 -0.199 20 0 FBADHN C[NH2+]CCC1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000262034954 536445103 /nfs/dbraw/zinc/44/51/03/536445103.db2.gz KJWQDTVNHHSFHH-UHFFFAOYSA-N 0 3 357.480 -0.145 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000262035404 243295719 /nfs/dbraw/zinc/29/57/19/243295719.db2.gz HFCKWSGRHLNQPR-HNNXBMFYSA-N 0 3 370.475 -0.678 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000262039587 243295197 /nfs/dbraw/zinc/29/51/97/243295197.db2.gz HNFMXSGPOWFHKQ-HNNXBMFYSA-N 0 3 355.460 -0.053 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1C(=O)NCCC(N)=O ZINC000262039756 535054049 /nfs/dbraw/zinc/05/40/49/535054049.db2.gz HNTGQLKZIBZYEN-HNNXBMFYSA-N 0 3 363.418 -0.670 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000262042651 243294006 /nfs/dbraw/zinc/29/40/06/243294006.db2.gz HTFBTFKBXBIOFE-AWEZNQCLSA-N 0 3 356.448 -0.226 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)o1 ZINC000262044384 243294991 /nfs/dbraw/zinc/29/49/91/243294991.db2.gz LRUIZGZZIFIANK-GFCCVEGCSA-N 0 3 356.448 -0.384 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(C)o1 ZINC000262044386 243295177 /nfs/dbraw/zinc/29/51/77/243295177.db2.gz LRUIZGZZIFIANK-LBPRGKRZSA-N 0 3 356.448 -0.384 20 0 FBADHN COCCNCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000262045073 243294497 /nfs/dbraw/zinc/29/44/97/243294497.db2.gz UDMMTJWPUNLSFJ-UHFFFAOYSA-N 0 3 360.436 -0.640 20 0 FBADHN COCCNCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262050199 243294145 /nfs/dbraw/zinc/29/41/45/243294145.db2.gz MNTAHZVXHFNYGB-UHFFFAOYSA-N 0 3 371.459 -0.440 20 0 FBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262056210 243294537 /nfs/dbraw/zinc/29/45/37/243294537.db2.gz ISMKBEDHEZYOQU-INIZCTEOSA-N 0 3 351.495 -0.563 20 0 FBADHN C[C@H](C(=O)N1CCCC1)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262056213 243295840 /nfs/dbraw/zinc/29/58/40/243295840.db2.gz ISMKBEDHEZYOQU-MRXNPFEDSA-N 0 3 351.495 -0.563 20 0 FBADHN Cc1cc(NC(=O)CN2CCN(CCC(=O)N3CCNCC3)CC2)no1 ZINC000262057559 243295949 /nfs/dbraw/zinc/29/59/49/243295949.db2.gz IVJUXDFSXAPYDC-UHFFFAOYSA-N 0 3 364.450 -0.639 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262058917 243293926 /nfs/dbraw/zinc/29/39/26/243293926.db2.gz IYULJBVYUKBZCI-INIZCTEOSA-N 0 3 365.522 -0.127 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262058920 243294699 /nfs/dbraw/zinc/29/46/99/243294699.db2.gz IYULJBVYUKBZCI-MRXNPFEDSA-N 0 3 365.522 -0.127 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[NH2+]C2)s1 ZINC000262059770 243293826 /nfs/dbraw/zinc/29/38/26/243293826.db2.gz YQGIQTUHQDPBTE-NSHDSACASA-N 0 3 374.488 -0.469 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1CS(C)(=O)=O ZINC000262067665 243294337 /nfs/dbraw/zinc/29/43/37/243294337.db2.gz JQHVWWUTVSYHIW-HNNXBMFYSA-N 0 3 355.460 -0.053 20 0 FBADHN C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000262071154 536364689 /nfs/dbraw/zinc/36/46/89/536364689.db2.gz SARBYKRRNTYCOB-SECBINFHSA-N 0 3 353.404 -0.593 20 0 FBADHN C[NH2+][C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000262071156 536413940 /nfs/dbraw/zinc/41/39/40/536413940.db2.gz SARBYKRRNTYCOB-VIFPVBQESA-N 0 3 353.404 -0.593 20 0 FBADHN CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262071285 243295091 /nfs/dbraw/zinc/29/50/91/243295091.db2.gz BQDVYWDHJRFDPD-KYOSRNDESA-N 0 3 373.450 -0.175 20 0 FBADHN CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262071286 243295673 /nfs/dbraw/zinc/29/56/73/243295673.db2.gz BQDVYWDHJRFDPD-LNSITVRQSA-N 0 3 373.450 -0.175 20 0 FBADHN CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262071288 243294479 /nfs/dbraw/zinc/29/44/79/243294479.db2.gz BQDVYWDHJRFDPD-WHOFXGATSA-N 0 3 373.450 -0.175 20 0 FBADHN CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262071290 243294958 /nfs/dbraw/zinc/29/49/58/243294958.db2.gz BQDVYWDHJRFDPD-ZLDLUXBVSA-N 0 3 373.450 -0.175 20 0 FBADHN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)C[C@H](C)O1 ZINC000262077012 243297595 /nfs/dbraw/zinc/29/75/95/243297595.db2.gz AHWOEYONQHFWHX-KBPBESRZSA-N 0 3 374.507 -0.244 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)C[C@H](C)O1 ZINC000262077014 243296453 /nfs/dbraw/zinc/29/64/53/243296453.db2.gz AHWOEYONQHFWHX-OKILXGFUSA-N 0 3 374.507 -0.244 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)C[C@@H](C)O1 ZINC000262077016 243298536 /nfs/dbraw/zinc/29/85/36/243298536.db2.gz AHWOEYONQHFWHX-ZIAGYGMSSA-N 0 3 374.507 -0.244 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000262077946 243297953 /nfs/dbraw/zinc/29/79/53/243297953.db2.gz KKKVEVSXNVWNGR-INIZCTEOSA-N 0 3 362.430 -0.224 20 0 FBADHN COCCNCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000262078642 243298571 /nfs/dbraw/zinc/29/85/71/243298571.db2.gz DSNNFJDBKMWBRG-UHFFFAOYSA-N 0 3 372.443 -0.026 20 0 FBADHN COCCNCCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000262085520 243296753 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20 0 FBADHN O=C(C[C@H]1CSCCN1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262736231 243334853 /nfs/dbraw/zinc/33/48/53/243334853.db2.gz CNYICENGZMQMKD-KBPBESRZSA-N 0 3 356.492 -0.869 20 0 FBADHN O=C(C[C@H]1CSCCN1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262736234 243335429 /nfs/dbraw/zinc/33/54/29/243335429.db2.gz CNYICENGZMQMKD-KGLIPLIRSA-N 0 3 356.492 -0.869 20 0 FBADHN O=C(C[C@@H]1CSCCN1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262736235 243334959 /nfs/dbraw/zinc/33/49/59/243334959.db2.gz CNYICENGZMQMKD-UONOGXRCSA-N 0 3 356.492 -0.869 20 0 FBADHN O=C(C[C@@H]1CSCCN1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262736236 243335324 /nfs/dbraw/zinc/33/53/24/243335324.db2.gz CNYICENGZMQMKD-ZIAGYGMSSA-N 0 3 356.492 -0.869 20 0 FBADHN COc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000262738305 243335302 /nfs/dbraw/zinc/33/53/02/243335302.db2.gz HTUIYTHAQGVHMT-HNNXBMFYSA-N 0 3 370.431 -0.235 20 0 FBADHN COc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000262738306 243334429 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0 3 356.404 -0.753 20 0 FBADHN O=C(C[C@@H]1CSCCN1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000262746770 243335008 /nfs/dbraw/zinc/33/50/08/243335008.db2.gz FZQABXATLCNELZ-GFCCVEGCSA-N 0 3 353.448 -0.225 20 0 FBADHN O=C(C[C@H]1CSCCN1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000262746777 243335022 /nfs/dbraw/zinc/33/50/22/243335022.db2.gz FZQABXATLCNELZ-LBPRGKRZSA-N 0 3 353.448 -0.225 20 0 FBADHN COc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000262747181 243333585 /nfs/dbraw/zinc/33/35/85/243333585.db2.gz LUWMVFCVUZXUIB-BJOHPYRUSA-N 0 3 370.431 -0.235 20 0 FBADHN COc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000262747184 243334619 /nfs/dbraw/zinc/33/46/19/243334619.db2.gz LUWMVFCVUZXUIB-VFZGTOFNSA-N 0 3 370.431 -0.235 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@H]3CC[NH2+]C3)cnc21 ZINC000262750124 243334665 /nfs/dbraw/zinc/33/46/65/243334665.db2.gz NBDIHJJBIGLVAO-SECBINFHSA-N 0 3 353.404 -0.688 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@@H]3CC[NH2+]C3)cnc21 ZINC000262750125 243335135 /nfs/dbraw/zinc/33/51/35/243335135.db2.gz NBDIHJJBIGLVAO-VIFPVBQESA-N 0 3 353.404 -0.688 20 0 FBADHN COCCNCCNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000262751696 243335723 /nfs/dbraw/zinc/33/57/23/243335723.db2.gz GOQDDSFJDXWKEQ-UHFFFAOYSA-N 0 3 369.447 -0.092 20 0 FBADHN COCCNCCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000262751719 243334706 /nfs/dbraw/zinc/33/47/06/243334706.db2.gz GQRYTNSYWMRXGK-UHFFFAOYSA-N 0 3 365.477 -0.549 20 0 FBADHN CNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262752696 243334379 /nfs/dbraw/zinc/33/43/79/243334379.db2.gz OAVRDIXYIVMRKT-UHFFFAOYSA-N 0 3 363.461 -0.795 20 0 FBADHN C[C@@H]1C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[NH2+]1 ZINC000262754224 243334066 /nfs/dbraw/zinc/33/40/66/243334066.db2.gz CTPOHHROZIEGPU-BDAKNGLRSA-N 0 3 353.404 -0.547 20 0 FBADHN C[C@H]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[NH2+]1 ZINC000262754226 243334777 /nfs/dbraw/zinc/33/47/77/243334777.db2.gz CTPOHHROZIEGPU-DTWKUNHWSA-N 0 3 353.404 -0.547 20 0 FBADHN C[C@H]1C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[NH2+]1 ZINC000262754227 243333866 /nfs/dbraw/zinc/33/38/66/243333866.db2.gz CTPOHHROZIEGPU-IUCAKERBSA-N 0 3 353.404 -0.547 20 0 FBADHN C[C@@H]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[NH2+]1 ZINC000262754228 243335398 /nfs/dbraw/zinc/33/53/98/243335398.db2.gz CTPOHHROZIEGPU-RKDXNWHRSA-N 0 3 353.404 -0.547 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000262755134 243333464 /nfs/dbraw/zinc/33/34/64/243333464.db2.gz PBUGVYYBOVILAB-BJOHPYRUSA-N 0 3 368.415 -0.610 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000262755138 243335377 /nfs/dbraw/zinc/33/53/77/243335377.db2.gz PBUGVYYBOVILAB-PSLIRLAXSA-N 0 3 368.415 -0.610 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000262755141 243334939 /nfs/dbraw/zinc/33/49/39/243334939.db2.gz PBUGVYYBOVILAB-RFAUZJTJSA-N 0 3 368.415 -0.610 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000262755145 243335658 /nfs/dbraw/zinc/33/56/58/243335658.db2.gz PBUGVYYBOVILAB-VFZGTOFNSA-N 0 3 368.415 -0.610 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCC[NH2+]C3)cnc21 ZINC000262755220 243333786 /nfs/dbraw/zinc/33/37/86/243333786.db2.gz PFCILBFTNQONOB-SECBINFHSA-N 0 3 353.404 -0.688 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@H]3CCC[NH2+]C3)cnc21 ZINC000262755222 243333749 /nfs/dbraw/zinc/33/37/49/243333749.db2.gz PFCILBFTNQONOB-VIFPVBQESA-N 0 3 353.404 -0.688 20 0 FBADHN COc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000262756032 243333434 /nfs/dbraw/zinc/33/34/34/243333434.db2.gz PLJPTXKJTPNZQH-HNNXBMFYSA-N 0 3 370.431 -0.235 20 0 FBADHN COc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000262756036 243335213 /nfs/dbraw/zinc/33/52/13/243335213.db2.gz PLJPTXKJTPNZQH-OAHLLOKOSA-N 0 3 370.431 -0.235 20 0 FBADHN COCCNCCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000262756042 243335547 /nfs/dbraw/zinc/33/55/47/243335547.db2.gz HYNSUZQJANZFSH-UHFFFAOYSA-N 0 3 365.839 -0.282 20 0 FBADHN CCC([NH3+])(CC)CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000262759587 243334129 /nfs/dbraw/zinc/33/41/29/243334129.db2.gz QUGFJFXVMSKQJB-UHFFFAOYSA-N 0 3 355.420 -0.170 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262764260 243335590 /nfs/dbraw/zinc/33/55/90/243335590.db2.gz IYLOFIIKVWYKCB-JLLWLGSASA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262764264 243334479 /nfs/dbraw/zinc/33/44/79/243334479.db2.gz IYLOFIIKVWYKCB-MVWJERBFSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262764267 243335762 /nfs/dbraw/zinc/33/57/62/243335762.db2.gz IYLOFIIKVWYKCB-WCQGTBRESA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262764270 243335522 /nfs/dbraw/zinc/33/55/22/243335522.db2.gz IYLOFIIKVWYKCB-YUSALJHKSA-N 0 3 357.480 -0.087 20 0 FBADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(CC(=O)NCCOC)CC2)C1(C)C ZINC000262765965 243336595 /nfs/dbraw/zinc/33/65/95/243336595.db2.gz GCJGCMXFDMLVHU-KBXCAEBGSA-N 0 3 370.494 -0.574 20 0 FBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(CC(=O)NCCOC)CC2)C1(C)C ZINC000262765967 243336341 /nfs/dbraw/zinc/33/63/41/243336341.db2.gz GCJGCMXFDMLVHU-KDOFPFPSSA-N 0 3 370.494 -0.574 20 0 FBADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(CC(=O)NCCOC)CC2)C1(C)C ZINC000262765968 535650210 /nfs/dbraw/zinc/65/02/10/535650210.db2.gz GCJGCMXFDMLVHU-KSSFIOAISA-N 0 3 370.494 -0.574 20 0 FBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(CC(=O)NCCOC)CC2)C1(C)C ZINC000262765969 535438107 /nfs/dbraw/zinc/43/81/07/535438107.db2.gz GCJGCMXFDMLVHU-RDTXWAMCSA-N 0 3 370.494 -0.574 20 0 FBADHN CNCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000262766099 243336673 /nfs/dbraw/zinc/33/66/73/243336673.db2.gz UFUCAUAUDJXDFL-UHFFFAOYSA-N 0 3 361.445 -0.413 20 0 FBADHN COCCNCCNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000262766631 243336428 /nfs/dbraw/zinc/33/64/28/243336428.db2.gz KVQFJNZPAUXGRO-UHFFFAOYSA-N 0 3 354.425 -0.257 20 0 FBADHN [NH3+]CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262767902 243336699 /nfs/dbraw/zinc/33/66/99/243336699.db2.gz UVTBLWRTLVEOMH-UHFFFAOYSA-N 0 3 361.367 -0.236 20 0 FBADHN C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000262767951 243336527 /nfs/dbraw/zinc/33/65/27/243336527.db2.gz UXURBHPFHOXSME-SECBINFHSA-N 0 3 353.404 -0.593 20 0 FBADHN C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000262767953 536459218 /nfs/dbraw/zinc/45/92/18/536459218.db2.gz UXURBHPFHOXSME-VIFPVBQESA-N 0 3 353.404 -0.593 20 0 FBADHN C[NH2+]CCCNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000262769180 243338210 /nfs/dbraw/zinc/33/82/10/243338210.db2.gz VAEOWHJBQCHMBC-HNNXBMFYSA-N 0 3 370.431 -0.362 20 0 FBADHN C[NH2+]CCCNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000262769182 243337424 /nfs/dbraw/zinc/33/74/24/243337424.db2.gz VAEOWHJBQCHMBC-OAHLLOKOSA-N 0 3 370.431 -0.362 20 0 FBADHN CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000262769236 243338349 /nfs/dbraw/zinc/33/83/49/243338349.db2.gz VFBGKKBDNNEMOT-UHFFFAOYSA-N 0 3 355.420 -0.361 20 0 FBADHN CC[NH2+]CCNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000262770624 535477179 /nfs/dbraw/zinc/47/71/79/535477179.db2.gz VUTXLEHZXSVJCN-HNNXBMFYSA-N 0 3 370.431 -0.362 20 0 FBADHN CC[NH2+]CCNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000262770626 535477171 /nfs/dbraw/zinc/47/71/71/535477171.db2.gz VUTXLEHZXSVJCN-OAHLLOKOSA-N 0 3 370.431 -0.362 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@@H]3CCC[NH2+]C3)cnc21 ZINC000262773631 243337749 /nfs/dbraw/zinc/33/77/49/243337749.db2.gz WKELFOWQPJJRAE-JTQLQIEISA-N 0 3 367.431 -0.298 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@H]3CCC[NH2+]C3)cnc21 ZINC000262773634 243337439 /nfs/dbraw/zinc/33/74/39/243337439.db2.gz WKELFOWQPJJRAE-SNVBAGLBSA-N 0 3 367.431 -0.298 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cnc21 ZINC000262775080 243337874 /nfs/dbraw/zinc/33/78/74/243337874.db2.gz WXTMJVNKEQEFHZ-ZJUUUORDSA-N 0 3 365.415 -0.451 20 0 FBADHN COc1ccc(S(=O)(=O)NCCC[NH3+])cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000262775140 243336357 /nfs/dbraw/zinc/33/63/57/243336357.db2.gz XCFZFIILNQQOLE-AWEZNQCLSA-N 0 3 356.404 -0.623 20 0 FBADHN COc1ccc(S(=O)(=O)NCCC[NH3+])cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000262775141 243337382 /nfs/dbraw/zinc/33/73/82/243337382.db2.gz XCFZFIILNQQOLE-CQSZACIVSA-N 0 3 356.404 -0.623 20 0 FBADHN COCCNCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000262779607 243336994 /nfs/dbraw/zinc/33/69/94/243336994.db2.gz OLOSUJLFMRNRPW-UHFFFAOYSA-N 0 3 350.462 -0.087 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)cc1F ZINC000262779675 243337283 /nfs/dbraw/zinc/33/72/83/243337283.db2.gz YSEJFHJPNCYFQP-UHFFFAOYSA-N 0 3 365.452 -0.587 20 0 FBADHN COCCNCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000262784151 243338366 /nfs/dbraw/zinc/33/83/66/243338366.db2.gz PVEQMKAXGAPPCC-UHFFFAOYSA-N 0 3 371.459 -0.327 20 0 FBADHN COCCNCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000262786271 243337696 /nfs/dbraw/zinc/33/76/96/243337696.db2.gz QKYBCCYXUNJSTB-UHFFFAOYSA-N 0 3 369.443 -0.172 20 0 FBADHN O=C(C[C@@H]1CSCCN1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000262786479 243336280 /nfs/dbraw/zinc/33/62/80/243336280.db2.gz MFKBMCFFCXDFJN-CHWSQXEVSA-N 0 3 365.521 -0.314 20 0 FBADHN O=C(C[C@@H]1CSCCN1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000262786481 243337198 /nfs/dbraw/zinc/33/71/98/243337198.db2.gz MFKBMCFFCXDFJN-OLZOCXBDSA-N 0 3 365.521 -0.314 20 0 FBADHN O=C(C[C@H]1CSCCN1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000262786482 243337452 /nfs/dbraw/zinc/33/74/52/243337452.db2.gz MFKBMCFFCXDFJN-QWHCGFSZSA-N 0 3 365.521 -0.314 20 0 FBADHN O=C(C[C@H]1CSCCN1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000262786484 243336836 /nfs/dbraw/zinc/33/68/36/243336836.db2.gz MFKBMCFFCXDFJN-STQMWFEESA-N 0 3 365.521 -0.314 20 0 FBADHN 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ZINC000264953473 484343524 /nfs/dbraw/zinc/34/35/24/484343524.db2.gz YJAZJSVWFSNBHT-QGZVFWFLSA-N 0 3 372.473 -0.140 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000265005746 484347589 /nfs/dbraw/zinc/34/75/89/484347589.db2.gz LWRSJYOGJGOCFM-UHFFFAOYSA-N 0 3 362.386 -0.336 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)NCCN2C(=O)CNC2=O)c1 ZINC000265029631 484349314 /nfs/dbraw/zinc/34/93/14/484349314.db2.gz FZQHCYNWEFBMRK-UHFFFAOYSA-N 0 3 363.418 -0.022 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC000265029838 484348558 /nfs/dbraw/zinc/34/85/58/484348558.db2.gz OPWRBOMSQCOPIL-UHFFFAOYSA-N 0 3 362.386 -0.336 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1=O ZINC000265032951 484349505 /nfs/dbraw/zinc/34/95/05/484349505.db2.gz LEHYGHJPYAADBV-GFCCVEGCSA-N 0 3 362.434 -0.490 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1=O ZINC000265032952 484348078 /nfs/dbraw/zinc/34/80/78/484348078.db2.gz LEHYGHJPYAADBV-LBPRGKRZSA-N 0 3 362.434 -0.490 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000265050478 484350293 /nfs/dbraw/zinc/35/02/93/484350293.db2.gz KAKFCZDDQLXWHH-UHFFFAOYSA-N 0 3 363.418 -0.022 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(CS(N)(=O)=O)c2)CC1=O ZINC000265051236 484350992 /nfs/dbraw/zinc/35/09/92/484350992.db2.gz QCAVCHYCXBGLMJ-CYBMUJFWSA-N 0 3 368.459 -0.176 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(CS(N)(=O)=O)c2)CC1=O ZINC000265051240 484349966 /nfs/dbraw/zinc/34/99/66/484349966.db2.gz QCAVCHYCXBGLMJ-ZDUSSCGKSA-N 0 3 368.459 -0.176 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](CN(C)C)C2)c(=O)n(C)c1=O ZINC000265057479 484350317 /nfs/dbraw/zinc/35/03/17/484350317.db2.gz RMAOWGJGBXXHCZ-CYBMUJFWSA-N 0 3 365.478 -0.149 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](CN(C)C)C2)c(=O)n(C)c1=O ZINC000265057480 484350522 /nfs/dbraw/zinc/35/05/22/484350522.db2.gz RMAOWGJGBXXHCZ-ZDUSSCGKSA-N 0 3 365.478 -0.149 20 0 FBADHN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1S(N)(=O)=O ZINC000265064794 484352806 /nfs/dbraw/zinc/35/28/06/484352806.db2.gz RVSOANYYZKCPSC-GFCCVEGCSA-N 0 3 368.459 -0.009 20 0 FBADHN Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1S(N)(=O)=O ZINC000265064797 484352102 /nfs/dbraw/zinc/35/21/02/484352102.db2.gz RVSOANYYZKCPSC-LBPRGKRZSA-N 0 3 368.459 -0.009 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000265072958 484352871 /nfs/dbraw/zinc/35/28/71/484352871.db2.gz XPLGMTJQGKZIIU-CYBMUJFWSA-N 0 3 350.423 -0.312 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000265072959 484352439 /nfs/dbraw/zinc/35/24/39/484352439.db2.gz XPLGMTJQGKZIIU-ZDUSSCGKSA-N 0 3 350.423 -0.312 20 0 FBADHN C[C@H](Cn1cccn1)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000265075410 484351827 /nfs/dbraw/zinc/35/18/27/484351827.db2.gz OUELJZJENHCWCQ-CYBMUJFWSA-N 0 3 365.459 -0.133 20 0 FBADHN C[C@@H](Cn1cccn1)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000265075412 484352141 /nfs/dbraw/zinc/35/21/41/484352141.db2.gz OUELJZJENHCWCQ-ZDUSSCGKSA-N 0 3 365.459 -0.133 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCS(=O)(=O)c2ccccc2)CC1=O ZINC000265075687 535879713 /nfs/dbraw/zinc/87/97/13/535879713.db2.gz YIOPNAKGWVDQDU-AWEZNQCLSA-N 0 3 367.471 -0.013 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCS(=O)(=O)c2ccccc2)CC1=O ZINC000265075688 535881947 /nfs/dbraw/zinc/88/19/47/535881947.db2.gz YIOPNAKGWVDQDU-CQSZACIVSA-N 0 3 367.471 -0.013 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1=O ZINC000265081237 484352917 /nfs/dbraw/zinc/35/29/17/484352917.db2.gz XNTKRMPCPISBDU-CYBMUJFWSA-N 0 3 368.459 -0.176 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1=O ZINC000265081238 484353636 /nfs/dbraw/zinc/35/36/36/484353636.db2.gz XNTKRMPCPISBDU-ZDUSSCGKSA-N 0 3 368.459 -0.176 20 0 FBADHN COC(=O)[C@@H]1CC12CC[NH+](Cc1nc3c([n-]1)n(C)c(=O)n(C)c3=O)CC2 ZINC000265090712 484353812 /nfs/dbraw/zinc/35/38/12/484353812.db2.gz UQMXOTPUBGQTLY-JTQLQIEISA-N 0 3 361.402 -0.265 20 0 FBADHN COC(=O)[C@H]1CC12CC[NH+](Cc1nc3c([n-]1)n(C)c(=O)n(C)c3=O)CC2 ZINC000265090713 484354425 /nfs/dbraw/zinc/35/44/25/484354425.db2.gz UQMXOTPUBGQTLY-SNVBAGLBSA-N 0 3 361.402 -0.265 20 0 FBADHN COCCN(C)CCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000265112464 484355420 /nfs/dbraw/zinc/35/54/20/484355420.db2.gz CWWIRWIGIXCVCQ-UHFFFAOYSA-N 0 3 364.450 -0.410 20 0 FBADHN C[C@H](CNC(=O)CN(C)c1ncnc2nc[nH]c21)CN1CCN(C)CC1 ZINC000265116734 484355039 /nfs/dbraw/zinc/35/50/39/484355039.db2.gz MHZPWDZOEYGFOJ-CYBMUJFWSA-N 0 3 360.466 -0.211 20 0 FBADHN C[C@@H](CNC(=O)CN(C)c1ncnc2nc[nH]c21)CN1CCN(C)CC1 ZINC000265116737 484355843 /nfs/dbraw/zinc/35/58/43/484355843.db2.gz MHZPWDZOEYGFOJ-ZDUSSCGKSA-N 0 3 360.466 -0.211 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCN(C3CCC3)CC1)c(=O)n2C ZINC000265139591 484355116 /nfs/dbraw/zinc/35/51/16/484355116.db2.gz PUTFCLOKRTWULZ-UHFFFAOYSA-N 0 3 360.462 -0.006 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)cc1C(N)=O ZINC000265253822 484359332 /nfs/dbraw/zinc/35/93/32/484359332.db2.gz BHNRHCHBAPBSQS-LLVKDONJSA-N 0 3 357.432 -0.255 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)cc1C(N)=O ZINC000265253824 484359298 /nfs/dbraw/zinc/35/92/98/484359298.db2.gz BHNRHCHBAPBSQS-NSHDSACASA-N 0 3 357.432 -0.255 20 0 FBADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000265287904 485303731 /nfs/dbraw/zinc/30/37/31/485303731.db2.gz YVLBUYWXWCTJBR-JTQLQIEISA-N 0 3 367.431 -0.251 20 0 FBADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000265287906 485303303 /nfs/dbraw/zinc/30/33/03/485303303.db2.gz YVLBUYWXWCTJBR-SNVBAGLBSA-N 0 3 367.431 -0.251 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000265334004 484362911 /nfs/dbraw/zinc/36/29/11/484362911.db2.gz UKLVIUZUGZFAQD-UHFFFAOYSA-N 0 3 354.476 -0.206 20 0 FBADHN COCCN1CCC(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000265351555 484365007 /nfs/dbraw/zinc/36/50/07/484365007.db2.gz BMJCZGLYEWXZEG-HNNXBMFYSA-N 0 3 364.450 -0.065 20 0 FBADHN COCCN1CCC(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000265351558 484364178 /nfs/dbraw/zinc/36/41/78/484364178.db2.gz BMJCZGLYEWXZEG-OAHLLOKOSA-N 0 3 364.450 -0.065 20 0 FBADHN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N(C)C ZINC000265357117 484364569 /nfs/dbraw/zinc/36/45/69/484364569.db2.gz CNNPGKZZMCRAQM-CYBMUJFWSA-N 0 3 352.439 -0.211 20 0 FBADHN CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N(C)C ZINC000265357119 243457241 /nfs/dbraw/zinc/45/72/41/243457241.db2.gz CNNPGKZZMCRAQM-ZDUSSCGKSA-N 0 3 352.439 -0.211 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000265365049 484365563 /nfs/dbraw/zinc/36/55/63/484365563.db2.gz FPHRPZCQTCGNSG-AWEZNQCLSA-N 0 3 374.445 -0.443 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000265365052 484365947 /nfs/dbraw/zinc/36/59/47/484365947.db2.gz FPHRPZCQTCGNSG-CQSZACIVSA-N 0 3 374.445 -0.443 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000265366399 484366439 /nfs/dbraw/zinc/36/64/39/484366439.db2.gz FWUQHAGUNIKRTA-UHFFFAOYSA-N 0 3 361.446 -0.310 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCO1 ZINC000265369083 484366113 /nfs/dbraw/zinc/36/61/13/484366113.db2.gz GPDDNQCQNQZHNC-KBPBESRZSA-N 0 3 350.423 -0.503 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCO1 ZINC000265369084 484366179 /nfs/dbraw/zinc/36/61/79/484366179.db2.gz GPDDNQCQNQZHNC-KGLIPLIRSA-N 0 3 350.423 -0.503 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCO1 ZINC000265369086 484366078 /nfs/dbraw/zinc/36/60/78/484366078.db2.gz GPDDNQCQNQZHNC-UONOGXRCSA-N 0 3 350.423 -0.503 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCO1 ZINC000265369088 484365626 /nfs/dbraw/zinc/36/56/26/484365626.db2.gz GPDDNQCQNQZHNC-ZIAGYGMSSA-N 0 3 350.423 -0.503 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000265369623 484366040 /nfs/dbraw/zinc/36/60/40/484366040.db2.gz XMGYBKFEQOWEGS-AWEZNQCLSA-N 0 3 368.459 -0.163 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000265369625 484366195 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ZINC000268238330 484494704 /nfs/dbraw/zinc/49/47/04/484494704.db2.gz UISYWALRCNLYPQ-NWDGAFQWSA-N 0 3 353.423 -0.980 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCC(=O)NC(N)=O)CC1=O ZINC000268238332 484494422 /nfs/dbraw/zinc/49/44/22/484494422.db2.gz UISYWALRCNLYPQ-RYUDHWBXSA-N 0 3 353.423 -0.980 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC(=O)NC(N)=O)CC1=O ZINC000268238334 484494260 /nfs/dbraw/zinc/49/42/60/484494260.db2.gz UISYWALRCNLYPQ-VXGBXAGGSA-N 0 3 353.423 -0.980 20 0 FBADHN CN(CCNC(=O)CN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000268263281 484496025 /nfs/dbraw/zinc/49/60/25/484496025.db2.gz ADJOKANZONSQTB-UHFFFAOYSA-N 0 3 368.503 -0.188 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000268264083 484495711 /nfs/dbraw/zinc/49/57/11/484495711.db2.gz ZYMVMJYODLPMCS-HZMBPMFUSA-N 0 3 357.414 -0.155 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000268264085 484495607 /nfs/dbraw/zinc/49/56/07/484495607.db2.gz ZYMVMJYODLPMCS-IINYFYTJSA-N 0 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484498007 /nfs/dbraw/zinc/49/80/07/484498007.db2.gz HDGUEYOKBZWGKT-UHFFFAOYSA-N 0 3 364.446 -0.125 20 0 FBADHN CN(C)Cc1ccccc1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000268344776 484497850 /nfs/dbraw/zinc/49/78/50/484497850.db2.gz CTSKAJTXJLOXTR-UHFFFAOYSA-N 0 3 368.503 -0.058 20 0 FBADHN CN(CC(=O)NC(=O)NCc1ccco1)C1CCN(S(C)(=O)=O)CC1 ZINC000268351594 536169338 /nfs/dbraw/zinc/16/93/38/536169338.db2.gz DIEVUCRCHVAKMN-UHFFFAOYSA-N 0 3 372.447 -0.039 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000268403704 484500169 /nfs/dbraw/zinc/50/01/69/484500169.db2.gz VTJIVOVAJAZPOM-UHFFFAOYSA-N 0 3 372.491 -0.253 20 0 FBADHN Cc1nnc([C@@H]2CCCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)[nH]1 ZINC000268411521 484501309 /nfs/dbraw/zinc/50/13/09/484501309.db2.gz AUVAYLAXAXOOPH-GFCCVEGCSA-N 0 3 372.433 -0.260 20 0 FBADHN Cc1n[nH]c([C@@H]2CCCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)n1 ZINC000268411521 484501303 /nfs/dbraw/zinc/50/13/03/484501303.db2.gz AUVAYLAXAXOOPH-GFCCVEGCSA-N 0 3 372.433 -0.260 20 0 FBADHN Cc1nc([C@@H]2CCCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)n[nH]1 ZINC000268411521 484501302 /nfs/dbraw/zinc/50/13/02/484501302.db2.gz AUVAYLAXAXOOPH-GFCCVEGCSA-N 0 3 372.433 -0.260 20 0 FBADHN Cc1nnc([C@H]2CCCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)[nH]1 ZINC000268411522 484501772 /nfs/dbraw/zinc/50/17/72/484501772.db2.gz AUVAYLAXAXOOPH-LBPRGKRZSA-N 0 3 372.433 -0.260 20 0 FBADHN Cc1n[nH]c([C@H]2CCCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)n1 ZINC000268411522 484501767 /nfs/dbraw/zinc/50/17/67/484501767.db2.gz AUVAYLAXAXOOPH-LBPRGKRZSA-N 0 3 372.433 -0.260 20 0 FBADHN Cc1nc([C@H]2CCCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)n[nH]1 ZINC000268411522 484501764 /nfs/dbraw/zinc/50/17/64/484501764.db2.gz AUVAYLAXAXOOPH-LBPRGKRZSA-N 0 3 372.433 -0.260 20 0 FBADHN CC(C)[NH+]1CCC(O)(CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000268440660 483420959 /nfs/dbraw/zinc/42/09/59/483420959.db2.gz GENNMNGEDBYMKO-UHFFFAOYSA-N 0 3 373.479 -0.950 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000268468028 483424404 /nfs/dbraw/zinc/42/44/04/483424404.db2.gz VTZQRDHCVKHPRV-CYBMUJFWSA-N 0 3 371.507 -0.324 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000268468030 483423786 /nfs/dbraw/zinc/42/37/86/483423786.db2.gz VTZQRDHCVKHPRV-ZDUSSCGKSA-N 0 3 371.507 -0.324 20 0 FBADHN CN(C)C(=O)CCN1CCN(C(=O)CN(C)c2ncnc3[nH]cnc32)CC1 ZINC000268544752 483427154 /nfs/dbraw/zinc/42/71/54/483427154.db2.gz HHYGJPCXNSWOTK-UHFFFAOYSA-N 0 3 374.449 -0.588 20 0 FBADHN COc1ncc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1C(N)=O ZINC000268553205 483427700 /nfs/dbraw/zinc/42/77/00/483427700.db2.gz DWMVRTFVTNWSKJ-UHFFFAOYSA-N 0 3 363.418 -0.024 20 0 FBADHN CN(CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)S(C)(=O)=O ZINC000268560942 483427280 /nfs/dbraw/zinc/42/72/80/483427280.db2.gz BDJHIPVUPMMFFE-OAHLLOKOSA-N 0 3 355.460 -0.587 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000268562803 243650771 /nfs/dbraw/zinc/65/07/71/243650771.db2.gz FESGAPOACLNBDN-UHFFFAOYSA-N 0 3 350.423 -0.629 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000268579354 483428555 /nfs/dbraw/zinc/42/85/55/483428555.db2.gz DQADNCOSBJZJFV-OAHLLOKOSA-N 0 3 358.398 -0.516 20 0 FBADHN C[C@H](O)c1cn(CC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000268603136 840491888 /nfs/dbraw/zinc/49/18/88/840491888.db2.gz HWDBMXRLKHPRKV-GXTWGEPZSA-N 0 3 352.439 -0.610 20 0 FBADHN C[C@H](O)c1cn(CC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000268603138 840491809 /nfs/dbraw/zinc/49/18/09/840491809.db2.gz HWDBMXRLKHPRKV-JSGCOSHPSA-N 0 3 352.439 -0.610 20 0 FBADHN C[C@@H](O)c1cn(CC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000268603139 840492035 /nfs/dbraw/zinc/49/20/35/840492035.db2.gz HWDBMXRLKHPRKV-OCCSQVGLSA-N 0 3 352.439 -0.610 20 0 FBADHN C[C@@H](O)c1cn(CC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000268603140 840491208 /nfs/dbraw/zinc/49/12/08/840491208.db2.gz HWDBMXRLKHPRKV-TZMCWYRMSA-N 0 3 352.439 -0.610 20 0 FBADHN CN1CC(=O)N(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1=O ZINC000268611064 483429658 /nfs/dbraw/zinc/42/96/58/483429658.db2.gz JBDVGSRSWJJCTN-OAHLLOKOSA-N 0 3 360.414 -0.584 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc([C@@H](C)O)nn2)CC1 ZINC000268617645 483430732 /nfs/dbraw/zinc/43/07/32/483430732.db2.gz CMPKFIQSGKZMEV-CYBMUJFWSA-N 0 3 352.439 -0.656 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc([C@H](C)O)nn2)CC1 ZINC000268617647 483430695 /nfs/dbraw/zinc/43/06/95/483430695.db2.gz CMPKFIQSGKZMEV-ZDUSSCGKSA-N 0 3 352.439 -0.656 20 0 FBADHN COc1ncc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1C(N)=O ZINC000268668856 483432098 /nfs/dbraw/zinc/43/20/98/483432098.db2.gz ZGTSNCPTBCBDIJ-LLVKDONJSA-N 0 3 363.418 -0.024 20 0 FBADHN COc1ncc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1C(N)=O ZINC000268668858 483432351 /nfs/dbraw/zinc/43/23/51/483432351.db2.gz ZGTSNCPTBCBDIJ-NSHDSACASA-N 0 3 363.418 -0.024 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000268699179 483435154 /nfs/dbraw/zinc/43/51/54/483435154.db2.gz RJSNEWVEGRMEBP-UHFFFAOYSA-N 0 3 367.406 -0.836 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000268701672 483435053 /nfs/dbraw/zinc/43/50/53/483435053.db2.gz RXUIWRMGINKKQO-JTQLQIEISA-N 0 3 351.407 -0.026 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000268701674 483434670 /nfs/dbraw/zinc/43/46/70/483434670.db2.gz RXUIWRMGINKKQO-SNVBAGLBSA-N 0 3 351.407 -0.026 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000268710666 483435295 /nfs/dbraw/zinc/43/52/95/483435295.db2.gz UJGQRPUGQINUQJ-UHFFFAOYSA-N 0 3 351.407 -0.024 20 0 FBADHN CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000268711112 483435245 /nfs/dbraw/zinc/43/52/45/483435245.db2.gz ZUSZHJPBWQCTJU-OAHLLOKOSA-N 0 3 369.487 -0.150 20 0 FBADHN COc1ncc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1C(N)=O ZINC000268726778 483434435 /nfs/dbraw/zinc/43/44/35/483434435.db2.gz XEHVNZOYOSKCBT-NEPJUHHUSA-N 0 3 361.402 -0.177 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000268822429 483437034 /nfs/dbraw/zinc/43/70/34/483437034.db2.gz 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483438686 /nfs/dbraw/zinc/43/86/86/483438686.db2.gz DUCWEAZONINIJF-INIZCTEOSA-N 0 3 374.441 -0.071 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000268895145 483440231 /nfs/dbraw/zinc/44/02/31/483440231.db2.gz DUCWEAZONINIJF-MRXNPFEDSA-N 0 3 374.441 -0.071 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000268905196 483440205 /nfs/dbraw/zinc/44/02/05/483440205.db2.gz GNNGAPGUOQPIJK-INIZCTEOSA-N 0 3 374.441 -0.071 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000268905199 483440351 /nfs/dbraw/zinc/44/03/51/483440351.db2.gz GNNGAPGUOQPIJK-MRXNPFEDSA-N 0 3 374.441 -0.071 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c1C ZINC000268912066 483440302 /nfs/dbraw/zinc/44/03/02/483440302.db2.gz GJBGAKKZOVQNBY-JTQLQIEISA-N 0 3 356.448 -0.092 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c1C ZINC000268912074 483440020 /nfs/dbraw/zinc/44/00/20/483440020.db2.gz GJBGAKKZOVQNBY-SNVBAGLBSA-N 0 3 356.448 -0.092 20 0 FBADHN C[C@H](O)c1cn(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000268916664 483440519 /nfs/dbraw/zinc/44/05/19/483440519.db2.gz IXKUCXZYANSLAH-GXTWGEPZSA-N 0 3 350.423 -0.904 20 0 FBADHN C[C@H](O)c1cn(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000268916666 483439909 /nfs/dbraw/zinc/43/99/09/483439909.db2.gz IXKUCXZYANSLAH-JSGCOSHPSA-N 0 3 350.423 -0.904 20 0 FBADHN C[C@@H](O)c1cn(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000268916668 483439873 /nfs/dbraw/zinc/43/98/73/483439873.db2.gz IXKUCXZYANSLAH-OCCSQVGLSA-N 0 3 350.423 -0.904 20 0 FBADHN C[C@@H](O)c1cn(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000268916670 483440320 /nfs/dbraw/zinc/44/03/20/483440320.db2.gz IXKUCXZYANSLAH-TZMCWYRMSA-N 0 3 350.423 -0.904 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000268922097 483440000 /nfs/dbraw/zinc/44/00/00/483440000.db2.gz KEZVKUSWYAWZBB-HNNXBMFYSA-N 0 3 359.430 -0.424 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000268922100 483440263 /nfs/dbraw/zinc/44/02/63/483440263.db2.gz KEZVKUSWYAWZBB-OAHLLOKOSA-N 0 3 359.430 -0.424 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000268923509 483439736 /nfs/dbraw/zinc/43/97/36/483439736.db2.gz KPXSUPZIYLIRQF-HNNXBMFYSA-N 0 3 374.441 -0.071 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000268923511 483439681 /nfs/dbraw/zinc/43/96/81/483439681.db2.gz KPXSUPZIYLIRQF-OAHLLOKOSA-N 0 3 374.441 -0.071 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000268975933 483441582 /nfs/dbraw/zinc/44/15/82/483441582.db2.gz JZCQIDHLYYXNNH-INIZCTEOSA-N 0 3 373.457 -0.038 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000268975935 483441192 /nfs/dbraw/zinc/44/11/92/483441192.db2.gz JZCQIDHLYYXNNH-MRXNPFEDSA-N 0 3 373.457 -0.038 20 0 FBADHN CNC(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000268980118 483441550 /nfs/dbraw/zinc/44/15/50/483441550.db2.gz ORXNOBOVXUZAKF-HNNXBMFYSA-N 0 3 359.430 -0.180 20 0 FBADHN CNC(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000268980119 483441321 /nfs/dbraw/zinc/44/13/21/483441321.db2.gz ORXNOBOVXUZAKF-OAHLLOKOSA-N 0 3 359.430 -0.180 20 0 FBADHN Cc1ccnc2nc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)nn21 ZINC000268985221 483442010 /nfs/dbraw/zinc/44/20/10/483442010.db2.gz PYNIRUOMYNJQAN-CYBMUJFWSA-N 0 3 357.418 -0.189 20 0 FBADHN Cc1ccnc2nc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)nn21 ZINC000268985224 483441080 /nfs/dbraw/zinc/44/10/80/483441080.db2.gz PYNIRUOMYNJQAN-ZDUSSCGKSA-N 0 3 357.418 -0.189 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)o2)CC1 ZINC000268992391 483441253 /nfs/dbraw/zinc/44/12/53/483441253.db2.gz SYIDVRUWSIITCM-CYBMUJFWSA-N 0 3 363.418 -0.174 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)o2)CC1 ZINC000268992397 483441638 /nfs/dbraw/zinc/44/16/38/483441638.db2.gz SYIDVRUWSIITCM-ZDUSSCGKSA-N 0 3 363.418 -0.174 20 0 FBADHN Cc1noc(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000268994693 483441405 /nfs/dbraw/zinc/44/14/05/483441405.db2.gz HFYUMXUNRGRHPT-CYBMUJFWSA-N 0 3 363.418 -0.005 20 0 FBADHN Cc1noc(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000268994694 483441535 /nfs/dbraw/zinc/44/15/35/483441535.db2.gz HFYUMXUNRGRHPT-ZDUSSCGKSA-N 0 3 363.418 -0.005 20 0 FBADHN Cc1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000268998939 483441840 /nfs/dbraw/zinc/44/18/40/483441840.db2.gz IRNPVZYYCCQBCU-AWEZNQCLSA-N 0 3 360.418 -0.511 20 0 FBADHN Cc1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000268998942 483441374 /nfs/dbraw/zinc/44/13/74/483441374.db2.gz IRNPVZYYCCQBCU-CQSZACIVSA-N 0 3 360.418 -0.511 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000269006818 483443628 /nfs/dbraw/zinc/44/36/28/483443628.db2.gz WJPDBILBAXEYEF-HNNXBMFYSA-N 0 3 370.409 -0.051 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000269006821 483442437 /nfs/dbraw/zinc/44/24/37/483442437.db2.gz WJPDBILBAXEYEF-OAHLLOKOSA-N 0 3 370.409 -0.051 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC000269010598 483442971 /nfs/dbraw/zinc/44/29/71/483442971.db2.gz XJIJHSKMZGGQJE-HNNXBMFYSA-N 0 3 359.430 -0.424 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC000269010599 483443374 /nfs/dbraw/zinc/44/33/74/483443374.db2.gz XJIJHSKMZGGQJE-OAHLLOKOSA-N 0 3 359.430 -0.424 20 0 FBADHN CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000269013029 483442846 /nfs/dbraw/zinc/44/28/46/483442846.db2.gz APJZONTVNKBCBU-NSHDSACASA-N 0 3 367.431 -0.574 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000269013856 483443201 /nfs/dbraw/zinc/44/32/01/483443201.db2.gz NVLUGUALYXDKLG-CYBMUJFWSA-N 0 3 363.393 -0.076 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000269013860 483442650 /nfs/dbraw/zinc/44/26/50/483442650.db2.gz NVLUGUALYXDKLG-ZDUSSCGKSA-N 0 3 363.393 -0.076 20 0 FBADHN Cc1cc(O)cc(=O)n1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000269016700 483442795 /nfs/dbraw/zinc/44/27/95/483442795.db2.gz YRTXRZIIOCGFJM-HNNXBMFYSA-N 0 3 362.430 -0.373 20 0 FBADHN Cc1cc(O)cc(=O)n1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000269016702 483443149 /nfs/dbraw/zinc/44/31/49/483443149.db2.gz YRTXRZIIOCGFJM-OAHLLOKOSA-N 0 3 362.430 -0.373 20 0 FBADHN CCn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000269025789 483443674 /nfs/dbraw/zinc/44/36/74/483443674.db2.gz RNSYSBOWODHCJW-AWEZNQCLSA-N 0 3 362.434 -0.394 20 0 FBADHN CCn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000269025792 483443477 /nfs/dbraw/zinc/44/34/77/483443477.db2.gz RNSYSBOWODHCJW-CQSZACIVSA-N 0 3 362.434 -0.394 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)/C=C/CN(C)C)CC2)cn1C ZINC000269040588 483444194 /nfs/dbraw/zinc/44/41/94/483444194.db2.gz YIUFIIHIRXOUJG-AATRIKPKSA-N 0 3 355.464 -0.321 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000269051671 483444600 /nfs/dbraw/zinc/44/46/00/483444600.db2.gz QINLOBJTRDENOZ-INIZCTEOSA-N 0 3 374.441 -0.914 20 0 FBADHN N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000269051672 483444811 /nfs/dbraw/zinc/44/48/11/483444811.db2.gz QINLOBJTRDENOZ-MRXNPFEDSA-N 0 3 374.441 -0.914 20 0 FBADHN N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000269052346 483444306 /nfs/dbraw/zinc/44/43/06/483444306.db2.gz SXIKHXNZOBTWOH-MRXNPFEDSA-N 0 3 358.442 -0.150 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000269064178 483446291 /nfs/dbraw/zinc/44/62/91/483446291.db2.gz CDXMKOWRPCXBND-UHFFFAOYSA-N 0 3 364.450 -0.052 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000269065392 483445924 /nfs/dbraw/zinc/44/59/24/483445924.db2.gz CSHYVZMCSMXQAS-GFCCVEGCSA-N 0 3 364.450 -0.053 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000269065395 483446375 /nfs/dbraw/zinc/44/63/75/483446375.db2.gz CSHYVZMCSMXQAS-LBPRGKRZSA-N 0 3 364.450 -0.053 20 0 FBADHN CC(C)[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000269106438 483447759 /nfs/dbraw/zinc/44/77/59/483447759.db2.gz VGLOMQAVSNTABW-CQSZACIVSA-N 0 3 354.432 -0.271 20 0 FBADHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(=O)NC(CO)CO ZINC000269134343 483448591 /nfs/dbraw/zinc/44/85/91/483448591.db2.gz WAVUIGYZEGXINS-UHFFFAOYSA-N 0 3 365.430 -0.041 20 0 FBADHN Nc1ncnc2c1ncn2CC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000269151590 483448988 /nfs/dbraw/zinc/44/89/88/483448988.db2.gz BIUXHSLEBIINLH-UHFFFAOYSA-N 0 3 353.390 -0.148 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCc2cc(C(N)=O)no2)CC1=O ZINC000269152023 483449017 /nfs/dbraw/zinc/44/90/17/483449017.db2.gz OVYRRVJDTBZDCP-NEPJUHHUSA-N 0 3 363.418 -0.278 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cc(C(N)=O)no2)CC1=O ZINC000269152024 483449046 /nfs/dbraw/zinc/44/90/46/483449046.db2.gz OVYRRVJDTBZDCP-NWDGAFQWSA-N 0 3 363.418 -0.278 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cc(C(N)=O)no2)CC1=O ZINC000269152025 483448605 /nfs/dbraw/zinc/44/86/05/483448605.db2.gz OVYRRVJDTBZDCP-RYUDHWBXSA-N 0 3 363.418 -0.278 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cc(C(N)=O)no2)CC1=O ZINC000269152026 483448623 /nfs/dbraw/zinc/44/86/23/483448623.db2.gz OVYRRVJDTBZDCP-VXGBXAGGSA-N 0 3 363.418 -0.278 20 0 FBADHN O=C(Cn1nc2ccccn2c1=O)Nc1ccc(N2CCNCC2)cn1 ZINC000269157198 243686132 /nfs/dbraw/zinc/68/61/32/243686132.db2.gz HZBBQDQCXVPRAG-UHFFFAOYSA-N 0 3 353.386 -0.061 20 0 FBADHN CCN1CCN(CC(=O)Nc2ccc(N3CCNCC3)cn2)C(=O)C1=O ZINC000269157221 483448971 /nfs/dbraw/zinc/44/89/71/483448971.db2.gz IALWICDOCBXWIB-UHFFFAOYSA-N 0 3 360.418 -0.880 20 0 FBADHN Cn1cc(/C=C/C(=O)Nc2ccc(N3CCNCC3)cn2)c(=O)n(C)c1=O ZINC000269160205 483450210 /nfs/dbraw/zinc/45/02/10/483450210.db2.gz LBRDVBYRPBBDSP-ZZXKWVIFSA-N 0 3 370.413 -0.460 20 0 FBADHN CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269165330 483450272 /nfs/dbraw/zinc/45/02/72/483450272.db2.gz PGQPGRCVIQTZJA-UHFFFAOYSA-N 0 3 371.463 -0.614 20 0 FBADHN O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(N2CCNCC2)cn1 ZINC000269170637 243685273 /nfs/dbraw/zinc/68/52/73/243685273.db2.gz UFBRWARKQVMLMN-UHFFFAOYSA-N 0 3 353.448 -0.840 20 0 FBADHN NS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000269173891 483450447 /nfs/dbraw/zinc/45/04/47/483450447.db2.gz WGSKYXSXORCQAA-UHFFFAOYSA-N 0 3 368.463 -0.655 20 0 FBADHN O=C(CCN1CCCS1(=O)=O)Nc1ccc(N2CCNCC2)cn1 ZINC000269177910 483449921 /nfs/dbraw/zinc/44/99/21/483449921.db2.gz ZACXTUNROJRQCM-UHFFFAOYSA-N 0 3 353.448 -0.145 20 0 FBADHN Cn1c2ncn(CC(=O)Nc3ccc4c(c3)CNCC4)c2c(=O)n(C)c1=O ZINC000269179323 483450380 /nfs/dbraw/zinc/45/03/80/483450380.db2.gz CPLVUUOGHRINTK-UHFFFAOYSA-N 0 3 368.397 -0.282 20 0 FBADHN Cn1c2ncn(CCC(=O)NC[C@@H](N)c3ccccc3)c2c(=O)n(C)c1=O ZINC000269188426 483450123 /nfs/dbraw/zinc/45/01/23/483450123.db2.gz VNQRORRAZNHJIW-CYBMUJFWSA-N 0 3 370.413 -0.360 20 0 FBADHN Cn1c2ncn(CCC(=O)NC[C@H](N)c3ccccc3)c2c(=O)n(C)c1=O ZINC000269188428 483449592 /nfs/dbraw/zinc/44/95/92/483449592.db2.gz VNQRORRAZNHJIW-ZDUSSCGKSA-N 0 3 370.413 -0.360 20 0 FBADHN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[C@H](O)CN1 ZINC000269196895 483449731 /nfs/dbraw/zinc/44/97/31/483449731.db2.gz SQJOGPRONQCONG-GXTWGEPZSA-N 0 3 355.416 -0.631 20 0 FBADHN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[C@@H](O)CN1 ZINC000269196904 483450052 /nfs/dbraw/zinc/45/00/52/483450052.db2.gz SQJOGPRONQCONG-TZMCWYRMSA-N 0 3 355.416 -0.631 20 0 FBADHN NC[C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000269197984 483450167 /nfs/dbraw/zinc/45/01/67/483450167.db2.gz CMMDFWWFSAGNSL-INIZCTEOSA-N 0 3 374.441 -0.742 20 0 FBADHN NC[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000269197988 483450037 /nfs/dbraw/zinc/45/00/37/483450037.db2.gz CMMDFWWFSAGNSL-MRXNPFEDSA-N 0 3 374.441 -0.742 20 0 FBADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[C@@H](O)CN1 ZINC000269198166 483450374 /nfs/dbraw/zinc/45/03/74/483450374.db2.gz UMEHXKSBSOCLDF-DGCLKSJQSA-N 0 3 373.406 -0.492 20 0 FBADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[C@H](O)CN1 ZINC000269198168 483450418 /nfs/dbraw/zinc/45/04/18/483450418.db2.gz UMEHXKSBSOCLDF-WCQYABFASA-N 0 3 373.406 -0.492 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000269203478 483450289 /nfs/dbraw/zinc/45/02/89/483450289.db2.gz IFMROQRHTMUDTK-CYBMUJFWSA-N 0 3 372.447 -0.497 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000269203479 483450198 /nfs/dbraw/zinc/45/01/98/483450198.db2.gz IFMROQRHTMUDTK-ZDUSSCGKSA-N 0 3 372.447 -0.497 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000269213270 483451429 /nfs/dbraw/zinc/45/14/29/483451429.db2.gz CGLFWMLNBCABAX-INIZCTEOSA-N 0 3 374.441 -0.357 20 0 FBADHN O=C(CNC[C@H]1CCCO1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000269213271 243688410 /nfs/dbraw/zinc/68/84/10/243688410.db2.gz CGLFWMLNBCABAX-MRXNPFEDSA-N 0 3 374.441 -0.357 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)NCCS(=O)(=O)NCc1ccccc1 ZINC000269219978 483451009 /nfs/dbraw/zinc/45/10/09/483451009.db2.gz HYFQRNJGGTXXMX-HNNXBMFYSA-N 0 3 355.460 -0.009 20 0 FBADHN O=C(CNC[C@H]1CCCO1)NCCS(=O)(=O)NCc1ccccc1 ZINC000269219979 483450791 /nfs/dbraw/zinc/45/07/91/483450791.db2.gz HYFQRNJGGTXXMX-OAHLLOKOSA-N 0 3 355.460 -0.009 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C[C@H]2CNCCO2)c1 ZINC000269222168 483451539 /nfs/dbraw/zinc/45/15/39/483451539.db2.gz OGOCJCMANDXQAH-AWEZNQCLSA-N 0 3 371.459 -0.394 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000269222169 483450999 /nfs/dbraw/zinc/45/09/99/483450999.db2.gz OGOCJCMANDXQAH-CQSZACIVSA-N 0 3 371.459 -0.394 20 0 FBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C[C@@H]3CNCCO3)CC2)no1 ZINC000269227018 483451038 /nfs/dbraw/zinc/45/10/38/483451038.db2.gz FYRPLHUXJPJOOQ-CYBMUJFWSA-N 0 3 351.407 -0.556 20 0 FBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C[C@H]3CNCCO3)CC2)no1 ZINC000269227024 483451768 /nfs/dbraw/zinc/45/17/68/483451768.db2.gz FYRPLHUXJPJOOQ-ZDUSSCGKSA-N 0 3 351.407 -0.556 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000269237728 483451808 /nfs/dbraw/zinc/45/18/08/483451808.db2.gz LQPUSYLNOXTIQP-AWEZNQCLSA-N 0 3 372.447 -0.583 20 0 FBADHN O=C(CNC[C@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000269237729 483451085 /nfs/dbraw/zinc/45/10/85/483451085.db2.gz LQPUSYLNOXTIQP-CQSZACIVSA-N 0 3 372.447 -0.583 20 0 FBADHN Cc1cc(NC(=O)CN2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)no1 ZINC000269244147 483451484 /nfs/dbraw/zinc/45/14/84/483451484.db2.gz SGZQFDKAJKFOTA-AWEZNQCLSA-N 0 3 365.434 -0.166 20 0 FBADHN Cc1cc(NC(=O)CN2CCN(C(=O)CNC[C@H]3CCCO3)CC2)no1 ZINC000269244148 483451647 /nfs/dbraw/zinc/45/16/47/483451647.db2.gz SGZQFDKAJKFOTA-CQSZACIVSA-N 0 3 365.434 -0.166 20 0 FBADHN NC(=O)C(NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(N)=O ZINC000269251943 483451781 /nfs/dbraw/zinc/45/17/81/483451781.db2.gz UAXVSJXWJFARCO-HNNXBMFYSA-N 0 3 372.347 -0.104 20 0 FBADHN NC(=O)C(NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(N)=O ZINC000269251945 483451329 /nfs/dbraw/zinc/45/13/29/483451329.db2.gz UAXVSJXWJFARCO-OAHLLOKOSA-N 0 3 372.347 -0.104 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000269255973 483452320 /nfs/dbraw/zinc/45/23/20/483452320.db2.gz YIQKDAROQAXJMB-UHFFFAOYSA-N 0 3 350.419 -0.465 20 0 FBADHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CNCCO2)c1 ZINC000269256129 483452724 /nfs/dbraw/zinc/45/27/24/483452724.db2.gz OXXLNEVCMPVRIH-GFCCVEGCSA-N 0 3 371.415 -0.545 20 0 FBADHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CNCCO2)c1 ZINC000269256130 483453233 /nfs/dbraw/zinc/45/32/33/483453233.db2.gz OXXLNEVCMPVRIH-LBPRGKRZSA-N 0 3 371.415 -0.545 20 0 FBADHN Cc1nc2c(cnn2C)c(N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)n1 ZINC000269256433 483453181 /nfs/dbraw/zinc/45/31/81/483453181.db2.gz KDQJQDCHKTYRRA-CYBMUJFWSA-N 0 3 359.434 -0.301 20 0 FBADHN Cc1nc2c(cnn2C)c(N2CCN(C(=O)C[C@H]3CNCCO3)CC2)n1 ZINC000269256436 243688100 /nfs/dbraw/zinc/68/81/00/243688100.db2.gz KDQJQDCHKTYRRA-ZDUSSCGKSA-N 0 3 359.434 -0.301 20 0 FBADHN O=C(C[C@H]1CNCCO1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000269257704 483453219 /nfs/dbraw/zinc/45/32/19/483453219.db2.gz ULDSLQXBMIWHMF-KRWDZBQOSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(C[C@@H]1CNCCO1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000269257707 483453001 /nfs/dbraw/zinc/45/30/01/483453001.db2.gz ULDSLQXBMIWHMF-QGZVFWFLSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(C[C@H]1CNCCO1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000269262057 483453107 /nfs/dbraw/zinc/45/31/07/483453107.db2.gz NITYJZPSMXGDHO-AEFFLSMTSA-N 0 3 363.458 -0.051 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000269262060 483453050 /nfs/dbraw/zinc/45/30/50/483453050.db2.gz NITYJZPSMXGDHO-FUHWJXTLSA-N 0 3 363.458 -0.051 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000269262062 483452444 /nfs/dbraw/zinc/45/24/44/483452444.db2.gz NITYJZPSMXGDHO-SJLPKXTDSA-N 0 3 363.458 -0.051 20 0 FBADHN O=C(C[C@H]1CNCCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000269262065 483453031 /nfs/dbraw/zinc/45/30/31/483453031.db2.gz NITYJZPSMXGDHO-WMZOPIPTSA-N 0 3 363.458 -0.051 20 0 FBADHN CCS(=O)(=O)NCC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000269280522 483452708 /nfs/dbraw/zinc/45/27/08/483452708.db2.gz LHJOYTVOXWYDIF-UHFFFAOYSA-N 0 3 370.475 -0.467 20 0 FBADHN COC(=O)CN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)CC1 ZINC000269291007 243691897 /nfs/dbraw/zinc/69/18/97/243691897.db2.gz LBOCAEMPFZWARK-HZPDHXFCSA-N 0 3 362.430 -0.357 20 0 FBADHN COC(=O)CN1CCN(c2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)CC1 ZINC000269291008 483453871 /nfs/dbraw/zinc/45/38/71/483453871.db2.gz LBOCAEMPFZWARK-JKSUJKDBSA-N 0 3 362.430 -0.357 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000269299770 483454578 /nfs/dbraw/zinc/45/45/78/483454578.db2.gz UAAHIIKYCDTTEF-UHFFFAOYSA-N 0 3 372.447 -0.691 20 0 FBADHN COC(=O)c1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c[nH]1 ZINC000269344870 483456861 /nfs/dbraw/zinc/45/68/61/483456861.db2.gz HVZFWHNEUUNTNY-AWEZNQCLSA-N 0 3 350.419 -0.176 20 0 FBADHN COC(=O)c1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c[nH]1 ZINC000269344872 483457421 /nfs/dbraw/zinc/45/74/21/483457421.db2.gz HVZFWHNEUUNTNY-CQSZACIVSA-N 0 3 350.419 -0.176 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2nocc2C)CC1 ZINC000269377544 483457763 /nfs/dbraw/zinc/45/77/63/483457763.db2.gz LPEZZYBICCVLGM-UHFFFAOYSA-N 0 3 351.407 -0.066 20 0 FBADHN CC(C(=O)NCCN(C)S(=O)(=O)c1cccs1)S(C)(=O)=O ZINC000269382505 483458481 /nfs/dbraw/zinc/45/84/81/483458481.db2.gz FEIJUGUYWACPQL-SECBINFHSA-N 0 3 354.475 -0.082 20 0 FBADHN CC(C(=O)NCCN(C)S(=O)(=O)c1cccs1)S(C)(=O)=O ZINC000269382506 483458389 /nfs/dbraw/zinc/45/83/89/483458389.db2.gz FEIJUGUYWACPQL-VIFPVBQESA-N 0 3 354.475 -0.082 20 0 FBADHN COCCNc1nc(NCCNC(C)=O)nc(NCCNC(C)=O)n1 ZINC000269391832 483458334 /nfs/dbraw/zinc/45/83/34/483458334.db2.gz CVWVJMDGUYKVCR-UHFFFAOYSA-N 0 3 354.415 -0.974 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000269406443 483459645 /nfs/dbraw/zinc/45/96/45/483459645.db2.gz MLGIXKYDKSHDSU-CYBMUJFWSA-N 0 3 373.479 -0.949 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000269406443 483459640 /nfs/dbraw/zinc/45/96/40/483459640.db2.gz MLGIXKYDKSHDSU-CYBMUJFWSA-N 0 3 373.479 -0.949 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000269406448 483459408 /nfs/dbraw/zinc/45/94/08/483459408.db2.gz MLGIXKYDKSHDSU-ZDUSSCGKSA-N 0 3 373.479 -0.949 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000269406448 483459403 /nfs/dbraw/zinc/45/94/03/483459403.db2.gz MLGIXKYDKSHDSU-ZDUSSCGKSA-N 0 3 373.479 -0.949 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cn1 ZINC000269455100 483462283 /nfs/dbraw/zinc/46/22/83/483462283.db2.gz CBVPCRWPPBBEGE-CYBMUJFWSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)cn1 ZINC000269455102 483462309 /nfs/dbraw/zinc/46/23/09/483462309.db2.gz CBVPCRWPPBBEGE-ZDUSSCGKSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)cn1 ZINC000269457160 483462153 /nfs/dbraw/zinc/46/21/53/483462153.db2.gz CSMDZDGAPWHFGZ-CYBMUJFWSA-N 0 3 352.439 -0.340 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)cn1 ZINC000269457162 483462083 /nfs/dbraw/zinc/46/20/83/483462083.db2.gz CSMDZDGAPWHFGZ-ZDUSSCGKSA-N 0 3 352.439 -0.340 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cn1 ZINC000269479131 483463533 /nfs/dbraw/zinc/46/35/33/483463533.db2.gz IIKBEHZHGJYWPA-CHWSQXEVSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cn1 ZINC000269479132 483463575 /nfs/dbraw/zinc/46/35/75/483463575.db2.gz IIKBEHZHGJYWPA-OLZOCXBDSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cn1 ZINC000269479134 483463322 /nfs/dbraw/zinc/46/33/22/483463322.db2.gz IIKBEHZHGJYWPA-QWHCGFSZSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cn1 ZINC000269479135 483463008 /nfs/dbraw/zinc/46/30/08/483463008.db2.gz IIKBEHZHGJYWPA-STQMWFEESA-N 0 3 364.450 -0.196 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000269479187 483463587 /nfs/dbraw/zinc/46/35/87/483463587.db2.gz IMEKJNGDBCJIIG-AWEZNQCLSA-N 0 3 364.450 -0.052 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000269479189 243707946 /nfs/dbraw/zinc/70/79/46/243707946.db2.gz IMEKJNGDBCJIIG-CQSZACIVSA-N 0 3 364.450 -0.052 20 0 FBADHN COCCN(C)CCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269484214 483463855 /nfs/dbraw/zinc/46/38/55/483463855.db2.gz MLYWEYDZJBQZSO-UHFFFAOYSA-N 0 3 364.493 -0.096 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1=O ZINC000269493764 483463662 /nfs/dbraw/zinc/46/36/62/483463662.db2.gz CVIAYHMSQXMZSE-CQSZACIVSA-N 0 3 358.398 -0.365 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000269509351 483464631 /nfs/dbraw/zinc/46/46/31/483464631.db2.gz PMLSUYGNVFYJND-UHFFFAOYSA-N 0 3 366.466 -0.388 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cn1 ZINC000269539464 483465400 /nfs/dbraw/zinc/46/54/00/483465400.db2.gz ZQFXJRCJRZABAU-CHWSQXEVSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cn1 ZINC000269539467 483466049 /nfs/dbraw/zinc/46/60/49/483466049.db2.gz ZQFXJRCJRZABAU-OLZOCXBDSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cn1 ZINC000269539470 243712681 /nfs/dbraw/zinc/71/26/81/243712681.db2.gz ZQFXJRCJRZABAU-QWHCGFSZSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cn1 ZINC000269539474 483465931 /nfs/dbraw/zinc/46/59/31/483465931.db2.gz ZQFXJRCJRZABAU-STQMWFEESA-N 0 3 364.450 -0.196 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000269555549 483467673 /nfs/dbraw/zinc/46/76/73/483467673.db2.gz PKHWSRGCBDCBGM-IUODEOHRSA-N 0 3 355.460 -0.541 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000269555552 483466924 /nfs/dbraw/zinc/46/69/24/483466924.db2.gz PKHWSRGCBDCBGM-SWLSCSKDSA-N 0 3 355.460 -0.541 20 0 FBADHN C[C@@H](O)c1cn(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)nn1 ZINC000269560838 483468413 /nfs/dbraw/zinc/46/84/13/483468413.db2.gz QRXOGQFOUHFSQQ-CZUORRHYSA-N 0 3 359.430 -0.133 20 0 FBADHN C[C@H](O)c1cn(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)nn1 ZINC000269560840 483468563 /nfs/dbraw/zinc/46/85/63/483468563.db2.gz QRXOGQFOUHFSQQ-XJKSGUPXSA-N 0 3 359.430 -0.133 20 0 FBADHN O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1(CO)COC1 ZINC000269564886 483468623 /nfs/dbraw/zinc/46/86/23/483468623.db2.gz FDBJYPBHJXZLHA-UHFFFAOYSA-N 0 3 363.462 -0.098 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269569523 483468188 /nfs/dbraw/zinc/46/81/88/483468188.db2.gz HVTKHXWXRKYODE-GFCCVEGCSA-N 0 3 361.489 -0.011 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)NC[C@@H](O)CN1CCCCC1 ZINC000269569523 483468182 /nfs/dbraw/zinc/46/81/82/483468182.db2.gz HVTKHXWXRKYODE-GFCCVEGCSA-N 0 3 361.489 -0.011 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000269569525 483468480 /nfs/dbraw/zinc/46/84/80/483468480.db2.gz HVTKHXWXRKYODE-LBPRGKRZSA-N 0 3 361.489 -0.011 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)NC[C@H](O)CN1CCCCC1 ZINC000269569525 483468476 /nfs/dbraw/zinc/46/84/76/483468476.db2.gz HVTKHXWXRKYODE-LBPRGKRZSA-N 0 3 361.489 -0.011 20 0 FBADHN Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](O)CN3CCCCC3)cnc21 ZINC000269573995 483468441 /nfs/dbraw/zinc/46/84/41/483468441.db2.gz IXLHFNQBFZJMIG-GFCCVEGCSA-N 0 3 361.402 -0.389 20 0 FBADHN Cn1cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(=O)[nH]c1=O ZINC000269575840 483468375 /nfs/dbraw/zinc/46/83/75/483468375.db2.gz VENOVZHKKHTCAU-CQSZACIVSA-N 0 3 358.398 -0.365 20 0 FBADHN COC(=O)c1cn(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)nn1 ZINC000269579229 483469907 /nfs/dbraw/zinc/46/99/07/483469907.db2.gz VVERKPHIKUKEPH-OAHLLOKOSA-N 0 3 373.413 -0.400 20 0 FBADHN NC(=O)C[C@H](N)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000269591755 483470020 /nfs/dbraw/zinc/47/00/20/483470020.db2.gz CMNQUEOATNIMNS-KRWDZBQOSA-N 0 3 361.490 -0.097 20 0 FBADHN NC(=O)C[C@@H](N)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000269591756 483469185 /nfs/dbraw/zinc/46/91/85/483469185.db2.gz CMNQUEOATNIMNS-QGZVFWFLSA-N 0 3 361.490 -0.097 20 0 FBADHN O=C(CCNS(=O)(=O)c1cccnc1)NC[C@H](O)CN1CCCCC1 ZINC000269606529 483470803 /nfs/dbraw/zinc/47/08/03/483470803.db2.gz QHDACIKAKKXSIZ-AWEZNQCLSA-N 0 3 370.475 -0.287 20 0 FBADHN CCc1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000269610390 483470561 /nfs/dbraw/zinc/47/05/61/483470561.db2.gz PHZQHBWGOIZPLL-AWEZNQCLSA-N 0 3 374.445 -0.258 20 0 FBADHN CCc1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000269610392 483470709 /nfs/dbraw/zinc/47/07/09/483470709.db2.gz PHZQHBWGOIZPLL-CQSZACIVSA-N 0 3 374.445 -0.258 20 0 FBADHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000269613884 483470909 /nfs/dbraw/zinc/47/09/09/483470909.db2.gz RRUQATRBVNMDEZ-SWLSCSKDSA-N 0 3 368.459 -0.321 20 0 FBADHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000269613885 483470916 /nfs/dbraw/zinc/47/09/16/483470916.db2.gz RRUQATRBVNMDEZ-WFASDCNBSA-N 0 3 368.459 -0.321 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000269622779 483472565 /nfs/dbraw/zinc/47/25/65/483472565.db2.gz RGPJKLAEHSOFID-UHFFFAOYSA-N 0 3 364.450 -0.378 20 0 FBADHN Cn1cc(/C=C/C(=O)NC[C@@H](O)CN2CCCCC2)c(=O)n(C)c1=O ZINC000269640910 483473919 /nfs/dbraw/zinc/47/39/19/483473919.db2.gz YABJYWDEVJWACO-PSKZRQQASA-N 0 3 350.419 -0.940 20 0 FBADHN Cn1cc(/C=C/C(=O)NC[C@H](O)CN2CCCCC2)c(=O)n(C)c1=O ZINC000269640915 483473446 /nfs/dbraw/zinc/47/34/46/483473446.db2.gz YABJYWDEVJWACO-UZYOAWRESA-N 0 3 350.419 -0.940 20 0 FBADHN CN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000269684522 483476857 /nfs/dbraw/zinc/47/68/57/483476857.db2.gz HFSQXNULQAKVFD-LLVKDONJSA-N 0 3 354.432 -0.635 20 0 FBADHN CN(C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000269684525 483476816 /nfs/dbraw/zinc/47/68/16/483476816.db2.gz HFSQXNULQAKVFD-NSHDSACASA-N 0 3 354.432 -0.635 20 0 FBADHN C[C@@H](NC(=O)[C@H](N)CC(N)=O)c1cc(F)ccc1N1CCN(C)CC1 ZINC000269684879 483476504 /nfs/dbraw/zinc/47/65/04/483476504.db2.gz IUTAVUOZPAPNJI-BXUZGUMPSA-N 0 3 351.426 -0.043 20 0 FBADHN C[C@H](NC(=O)[C@@H](N)CC(N)=O)c1cc(F)ccc1N1CCN(C)CC1 ZINC000269684884 483475909 /nfs/dbraw/zinc/47/59/09/483475909.db2.gz IUTAVUOZPAPNJI-FZMZJTMJSA-N 0 3 351.426 -0.043 20 0 FBADHN C[C@@H](NC(=O)[C@@H](N)CC(N)=O)c1cc(F)ccc1N1CCN(C)CC1 ZINC000269684889 483476642 /nfs/dbraw/zinc/47/66/42/483476642.db2.gz IUTAVUOZPAPNJI-RISCZKNCSA-N 0 3 351.426 -0.043 20 0 FBADHN C[C@H](NC(=O)[C@H](N)CC(N)=O)c1cc(F)ccc1N1CCN(C)CC1 ZINC000269684893 483475899 /nfs/dbraw/zinc/47/58/99/483475899.db2.gz IUTAVUOZPAPNJI-SMDDNHRTSA-N 0 3 351.426 -0.043 20 0 FBADHN CN(C)CCOc1ccccc1N1CCN(C(=O)[C@@H](N)CC(N)=O)CC1 ZINC000269689537 483476193 /nfs/dbraw/zinc/47/61/93/483476193.db2.gz JWMOLOKGISUMCL-AWEZNQCLSA-N 0 3 363.462 -0.522 20 0 FBADHN CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H](N)CC(N)=O)CC1 ZINC000269689541 483475970 /nfs/dbraw/zinc/47/59/70/483475970.db2.gz JWMOLOKGISUMCL-CQSZACIVSA-N 0 3 363.462 -0.522 20 0 FBADHN CNC(=O)c1cc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)cn1C ZINC000269700285 483477528 /nfs/dbraw/zinc/47/75/28/483477528.db2.gz AFTMPOJQKNZJFJ-UHFFFAOYSA-N 0 3 372.491 -0.102 20 0 FBADHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000269740495 483479540 /nfs/dbraw/zinc/47/95/40/483479540.db2.gz DWAZDYJQINIWTQ-GFCCVEGCSA-N 0 3 372.491 -0.163 20 0 FBADHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000269740497 483479360 /nfs/dbraw/zinc/47/93/60/483479360.db2.gz DWAZDYJQINIWTQ-LBPRGKRZSA-N 0 3 372.491 -0.163 20 0 FBADHN COc1cc(CN2CC[C@@H](NC(=O)[C@@H](N)CC(N)=O)C2)cc(OC)c1 ZINC000269744155 483478532 /nfs/dbraw/zinc/47/85/32/483478532.db2.gz WWGKRWNAEVRNGN-DOMZBBRYSA-N 0 3 350.419 -0.403 20 0 FBADHN COc1cc(CN2CC[C@@H](NC(=O)[C@H](N)CC(N)=O)C2)cc(OC)c1 ZINC000269744157 483479011 /nfs/dbraw/zinc/47/90/11/483479011.db2.gz WWGKRWNAEVRNGN-IUODEOHRSA-N 0 3 350.419 -0.403 20 0 FBADHN COc1cc(CN2CC[C@H](NC(=O)[C@H](N)CC(N)=O)C2)cc(OC)c1 ZINC000269744159 483479204 /nfs/dbraw/zinc/47/92/04/483479204.db2.gz WWGKRWNAEVRNGN-SWLSCSKDSA-N 0 3 350.419 -0.403 20 0 FBADHN COc1cc(CN2CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C2)cc(OC)c1 ZINC000269744161 483479028 /nfs/dbraw/zinc/47/90/28/483479028.db2.gz WWGKRWNAEVRNGN-WFASDCNBSA-N 0 3 350.419 -0.403 20 0 FBADHN NC(=O)C[C@H](N)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269744204 483478985 /nfs/dbraw/zinc/47/89/85/483478985.db2.gz WXYMKQUSEWOMCE-HNNXBMFYSA-N 0 3 352.410 -0.012 20 0 FBADHN NC(=O)C[C@@H](N)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269744206 483479224 /nfs/dbraw/zinc/47/92/24/483479224.db2.gz WXYMKQUSEWOMCE-OAHLLOKOSA-N 0 3 352.410 -0.012 20 0 FBADHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000269767354 483481082 /nfs/dbraw/zinc/48/10/82/483481082.db2.gz NIJHAYIIAGTRLW-CYBMUJFWSA-N 0 3 368.452 -0.180 20 0 FBADHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000269767356 483481450 /nfs/dbraw/zinc/48/14/50/483481450.db2.gz NIJHAYIIAGTRLW-ZDUSSCGKSA-N 0 3 368.452 -0.180 20 0 FBADHN Cn1cc([C@H](CNC(=O)[C@H]2CCCN2C)NC(=O)[C@H]2CCCN2C)cn1 ZINC000269776497 483482854 /nfs/dbraw/zinc/48/28/54/483482854.db2.gz DQRGPYGIBULDGP-ARFHVFGLSA-N 0 3 362.478 -0.118 20 0 FBADHN Cn1cc([C@@H](CNC(=O)[C@H]2CCCN2C)NC(=O)[C@H]2CCCN2C)cn1 ZINC000269776500 483482804 /nfs/dbraw/zinc/48/28/04/483482804.db2.gz DQRGPYGIBULDGP-BZUAXINKSA-N 0 3 362.478 -0.118 20 0 FBADHN COC(=O)COc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000269776696 483482760 /nfs/dbraw/zinc/48/27/60/483482760.db2.gz SGCDBUUQPXMSQN-HNNXBMFYSA-N 0 3 360.432 -0.171 20 0 FBADHN COC(=O)COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000269776697 483482468 /nfs/dbraw/zinc/48/24/68/483482468.db2.gz SGCDBUUQPXMSQN-OAHLLOKOSA-N 0 3 360.432 -0.171 20 0 FBADHN CNC(=O)c1cc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)cn1C ZINC000269795903 483484158 /nfs/dbraw/zinc/48/41/58/483484158.db2.gz RNEDVOIRAUCCHN-CYBMUJFWSA-N 0 3 372.491 -0.100 20 0 FBADHN CNC(=O)c1cc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)cn1C ZINC000269795904 483484025 /nfs/dbraw/zinc/48/40/25/483484025.db2.gz RNEDVOIRAUCCHN-ZDUSSCGKSA-N 0 3 372.491 -0.100 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000269824362 483485378 /nfs/dbraw/zinc/48/53/78/483485378.db2.gz XIHTVHCYGWDBJM-KRWDZBQOSA-N 0 3 350.419 -0.118 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000269824366 483485311 /nfs/dbraw/zinc/48/53/11/483485311.db2.gz XIHTVHCYGWDBJM-QGZVFWFLSA-N 0 3 350.419 -0.118 20 0 FBADHN Cn1cc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)cc1C(N)=O ZINC000269831856 483486084 /nfs/dbraw/zinc/48/60/84/483486084.db2.gz XPMXZGFFDXXCMP-GFCCVEGCSA-N 0 3 358.464 -0.361 20 0 FBADHN Cn1cc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)cc1C(N)=O ZINC000269831858 483486492 /nfs/dbraw/zinc/48/64/92/483486492.db2.gz XPMXZGFFDXXCMP-LBPRGKRZSA-N 0 3 358.464 -0.361 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269831950 483486187 /nfs/dbraw/zinc/48/61/87/483486187.db2.gz AEHXQBKVYBCNLL-CYBMUJFWSA-N 0 3 364.493 -0.362 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269831952 483486263 /nfs/dbraw/zinc/48/62/63/483486263.db2.gz AEHXQBKVYBCNLL-ZDUSSCGKSA-N 0 3 364.493 -0.362 20 0 FBADHN 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CN1CC[C@@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 ZINC000272497172 483583322 /nfs/dbraw/zinc/58/33/22/483583322.db2.gz NOODFQZJRFRRHB-OLZOCXBDSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)[C@@H]2C1 ZINC000272497175 483583893 /nfs/dbraw/zinc/58/38/93/483583893.db2.gz NOODFQZJRFRRHB-QWHCGFSZSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 ZINC000272497177 483583881 /nfs/dbraw/zinc/58/38/81/483583881.db2.gz NOODFQZJRFRRHB-STQMWFEESA-N 0 3 374.445 -0.624 20 0 FBADHN Cn1cnn(CC(=O)NCCCN2CCN(c3ccncc3)CC2)c1=O ZINC000272510137 483584837 /nfs/dbraw/zinc/58/48/37/483584837.db2.gz YGKHLXUUWWOZDH-UHFFFAOYSA-N 0 3 359.434 -0.695 20 0 FBADHN COCCCN1CCC(NC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272525252 483586540 /nfs/dbraw/zinc/58/65/40/483586540.db2.gz JGHBRQRDAWRLCZ-UHFFFAOYSA-N 0 3 352.439 -0.060 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000272539595 483586023 /nfs/dbraw/zinc/58/60/23/483586023.db2.gz JKBHFGLINOQSGQ-CKYFFXLPSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000272539600 483586118 /nfs/dbraw/zinc/58/61/18/483586118.db2.gz JKBHFGLINOQSGQ-HOSYDEDBSA-N 0 3 357.480 -0.087 20 0 FBADHN O=C(NCCNC(=O)N1CCN(CC2CCOCC2)CC1)c1ccn[nH]1 ZINC000272575788 483587773 /nfs/dbraw/zinc/58/77/73/483587773.db2.gz IXZBHBNNPVBEDN-UHFFFAOYSA-N 0 3 364.450 -0.107 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)[C@@H]2C1 ZINC000272607822 483588695 /nfs/dbraw/zinc/58/86/95/483588695.db2.gz JYCIJGWJEZKCMT-BXUZGUMPSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)[C@H]2C1 ZINC000272607826 483588743 /nfs/dbraw/zinc/58/87/43/483588743.db2.gz JYCIJGWJEZKCMT-FZMZJTMJSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)[C@H]2C1 ZINC000272607829 483589699 /nfs/dbraw/zinc/58/96/99/483589699.db2.gz JYCIJGWJEZKCMT-RISCZKNCSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)[C@@H]2C1 ZINC000272607834 483588950 /nfs/dbraw/zinc/58/89/50/483588950.db2.gz JYCIJGWJEZKCMT-SMDDNHRTSA-N 0 3 357.414 -0.202 20 0 FBADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000272608113 483588866 /nfs/dbraw/zinc/58/88/66/483588866.db2.gz YXSAHUXCOQUYTN-LLVKDONJSA-N 0 3 358.464 -0.565 20 0 FBADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000272608114 483589187 /nfs/dbraw/zinc/58/91/87/483589187.db2.gz YXSAHUXCOQUYTN-NSHDSACASA-N 0 3 358.464 -0.565 20 0 FBADHN C[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1=CCN(C)CC1 ZINC000272625345 483588781 /nfs/dbraw/zinc/58/87/81/483588781.db2.gz AQTSJKKFTWGNQG-GFCCVEGCSA-N 0 3 374.445 -0.410 20 0 FBADHN C[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1=CCN(C)CC1 ZINC000272625348 483589683 /nfs/dbraw/zinc/58/96/83/483589683.db2.gz AQTSJKKFTWGNQG-LBPRGKRZSA-N 0 3 374.445 -0.410 20 0 FBADHN CN(C)CCOc1cc(C(=O)N(C)CC(=O)N2CCOCC2)ccn1 ZINC000272639891 483590085 /nfs/dbraw/zinc/59/00/85/483590085.db2.gz CHRWRWRXGVKQPA-UHFFFAOYSA-N 0 3 350.419 -0.047 20 0 FBADHN O=C(CCN1CCN(c2ccccc2)CC1)NCCN1CCNC(=O)C1 ZINC000272652599 483590719 /nfs/dbraw/zinc/59/07/19/483590719.db2.gz FWTTUWBRLVHLQN-UHFFFAOYSA-N 0 3 359.474 -0.253 20 0 FBADHN C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1=CCN(C)CC1 ZINC000272658322 483590765 /nfs/dbraw/zinc/59/07/65/483590765.db2.gz BNEIKOKBONAVMI-CYBMUJFWSA-N 0 3 363.462 -0.231 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1=CCN(C)CC1 ZINC000272658324 483590292 /nfs/dbraw/zinc/59/02/92/483590292.db2.gz BNEIKOKBONAVMI-ZDUSSCGKSA-N 0 3 363.462 -0.231 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)[C@@H]2C1 ZINC000272699133 483592640 /nfs/dbraw/zinc/59/26/40/483592640.db2.gz YGDIUKAVILWFAE-BXUZGUMPSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)[C@H]2C1 ZINC000272699134 483593347 /nfs/dbraw/zinc/59/33/47/483593347.db2.gz YGDIUKAVILWFAE-FZMZJTMJSA-N 0 3 357.414 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/nfs/dbraw/zinc/59/45/88/483594588.db2.gz WKCKXGIEVDIWSU-CYBMUJFWSA-N 0 3 350.419 -0.313 20 0 FBADHN C[C@H](O)C(=O)N1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000272716370 483593745 /nfs/dbraw/zinc/59/37/45/483593745.db2.gz WKCKXGIEVDIWSU-ZDUSSCGKSA-N 0 3 350.419 -0.313 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)c2ccnc(OCCN(C)C)c2)CCO1 ZINC000272717842 483594389 /nfs/dbraw/zinc/59/43/89/483594389.db2.gz WUMSJNUPVTVTOV-HNNXBMFYSA-N 0 3 350.419 -0.001 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)c2ccnc(OCCN(C)C)c2)CCO1 ZINC000272717843 483594439 /nfs/dbraw/zinc/59/44/39/483594439.db2.gz WUMSJNUPVTVTOV-OAHLLOKOSA-N 0 3 350.419 -0.001 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000272721416 483594414 /nfs/dbraw/zinc/59/44/14/483594414.db2.gz ZMXFMLURKUKLGU-BLLLJJGKSA-N 0 3 364.446 -0.086 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000272721419 483594570 /nfs/dbraw/zinc/59/45/70/483594570.db2.gz ZMXFMLURKUKLGU-LRDDRELGSA-N 0 3 364.446 -0.086 20 0 FBADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000272721422 483594013 /nfs/dbraw/zinc/59/40/13/483594013.db2.gz ZMXFMLURKUKLGU-MLGOLLRUSA-N 0 3 364.446 -0.086 20 0 FBADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000272721425 483593905 /nfs/dbraw/zinc/59/39/05/483593905.db2.gz ZMXFMLURKUKLGU-WBMJQRKESA-N 0 3 364.446 -0.086 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)NCCN2CCNC(=O)C2)c1 ZINC000272738822 483595269 /nfs/dbraw/zinc/59/52/69/483595269.db2.gz CNUBYJHRPSOLSZ-UHFFFAOYSA-N 0 3 363.462 -0.142 20 0 FBADHN CN(CC(=O)NCc1ccccc1CN1CC[C@H](O)C1)S(C)(=O)=O ZINC000272739813 483595653 /nfs/dbraw/zinc/59/56/53/483595653.db2.gz CAYUQDIYYHWDNC-HNNXBMFYSA-N 0 3 355.460 -0.239 20 0 FBADHN CN(CC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)S(C)(=O)=O ZINC000272739816 483595051 /nfs/dbraw/zinc/59/50/51/483595051.db2.gz CAYUQDIYYHWDNC-OAHLLOKOSA-N 0 3 355.460 -0.239 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000272740445 483595793 /nfs/dbraw/zinc/59/57/93/483595793.db2.gz LXMISWZDHRPMJZ-CYBMUJFWSA-N 0 3 358.402 -0.599 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000272740448 483595470 /nfs/dbraw/zinc/59/54/70/483595470.db2.gz LXMISWZDHRPMJZ-ZDUSSCGKSA-N 0 3 358.402 -0.599 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000272742569 483595192 /nfs/dbraw/zinc/59/51/92/483595192.db2.gz WMCAUJOMKWRIDH-UHFFFAOYSA-N 0 3 358.402 -0.044 20 0 FBADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000272745029 243870177 /nfs/dbraw/zinc/87/01/77/243870177.db2.gz BMNDIAUMRZSHGL-INIZCTEOSA-N 0 3 355.366 -0.020 20 0 FBADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000272745032 483595667 /nfs/dbraw/zinc/59/56/67/483595667.db2.gz BMNDIAUMRZSHGL-MRXNPFEDSA-N 0 3 355.366 -0.020 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1=O ZINC000272753346 483595644 /nfs/dbraw/zinc/59/56/44/483595644.db2.gz FBFGRIYDWRFYHZ-AWEZNQCLSA-N 0 3 374.397 -0.710 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1=O ZINC000272753347 483595081 /nfs/dbraw/zinc/59/50/81/483595081.db2.gz FBFGRIYDWRFYHZ-CQSZACIVSA-N 0 3 374.397 -0.710 20 0 FBADHN O=C(CN1CCCS1(=O)=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272761767 483596320 /nfs/dbraw/zinc/59/63/20/483596320.db2.gz GDCLAOGSKVYION-INIZCTEOSA-N 0 3 367.471 -0.095 20 0 FBADHN O=C(CN1CCCS1(=O)=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272761770 483597228 /nfs/dbraw/zinc/59/72/28/483597228.db2.gz GDCLAOGSKVYION-MRXNPFEDSA-N 0 3 367.471 -0.095 20 0 FBADHN C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1=CCN(C)CC1 ZINC000272763297 483597191 /nfs/dbraw/zinc/59/71/91/483597191.db2.gz GCWTZJKJKYSEJY-CYBMUJFWSA-N 0 3 362.438 -0.823 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1=CCN(C)CC1 ZINC000272763299 483596713 /nfs/dbraw/zinc/59/67/13/483596713.db2.gz GCWTZJKJKYSEJY-ZDUSSCGKSA-N 0 3 362.438 -0.823 20 0 FBADHN CN1CC(=O)N(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1=O ZINC000272774735 483596939 /nfs/dbraw/zinc/59/69/39/483596939.db2.gz HTQFOQWICBEWCJ-HNNXBMFYSA-N 0 3 360.414 -0.237 20 0 FBADHN CN1CC(=O)N(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1=O ZINC000272774738 483596621 /nfs/dbraw/zinc/59/66/21/483596621.db2.gz HTQFOQWICBEWCJ-OAHLLOKOSA-N 0 3 360.414 -0.237 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)CCO1 ZINC000272776274 483596689 /nfs/dbraw/zinc/59/66/89/483596689.db2.gz NOAVOIGLOLKIFL-AWEZNQCLSA-N 0 3 365.434 -0.322 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)CCO1 ZINC000272776277 483596572 /nfs/dbraw/zinc/59/65/72/483596572.db2.gz NOAVOIGLOLKIFL-CQSZACIVSA-N 0 3 365.434 -0.322 20 0 FBADHN CS(=O)(=O)NCCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272809970 483597611 /nfs/dbraw/zinc/59/76/11/483597611.db2.gz SNTCZNNWJGXYEI-HNNXBMFYSA-N 0 3 370.475 -0.398 20 0 FBADHN CS(=O)(=O)NCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272809977 483597993 /nfs/dbraw/zinc/59/79/93/483597993.db2.gz SNTCZNNWJGXYEI-OAHLLOKOSA-N 0 3 370.475 -0.398 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272813804 483598911 /nfs/dbraw/zinc/59/89/11/483598911.db2.gz MIECHOCNQDHXJM-DOMZBBRYSA-N 0 3 355.460 -0.193 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272813808 483599562 /nfs/dbraw/zinc/59/95/62/483599562.db2.gz MIECHOCNQDHXJM-IUODEOHRSA-N 0 3 355.460 -0.193 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272813812 483599490 /nfs/dbraw/zinc/59/94/90/483599490.db2.gz MIECHOCNQDHXJM-SWLSCSKDSA-N 0 3 355.460 -0.193 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272813816 483599290 /nfs/dbraw/zinc/59/92/90/483599290.db2.gz MIECHOCNQDHXJM-WFASDCNBSA-N 0 3 355.460 -0.193 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000272827852 483599127 /nfs/dbraw/zinc/59/91/27/483599127.db2.gz PPDBVSRCQRJLCZ-UHFFFAOYSA-N 0 3 360.418 -0.351 20 0 FBADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000272835162 483600437 /nfs/dbraw/zinc/60/04/37/483600437.db2.gz ICXJLVNEIAXIAP-INIZCTEOSA-N 0 3 355.366 -0.020 20 0 FBADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000272835164 483600457 /nfs/dbraw/zinc/60/04/57/483600457.db2.gz ICXJLVNEIAXIAP-MRXNPFEDSA-N 0 3 355.366 -0.020 20 0 FBADHN CCS(=O)(=O)NCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272845278 483600790 /nfs/dbraw/zinc/60/07/90/483600790.db2.gz PZVAMKNZKGEKNL-HNNXBMFYSA-N 0 3 355.460 -0.191 20 0 FBADHN CCS(=O)(=O)NCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272845282 483600291 /nfs/dbraw/zinc/60/02/91/483600291.db2.gz PZVAMKNZKGEKNL-OAHLLOKOSA-N 0 3 355.460 -0.191 20 0 FBADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000272860397 484063805 /nfs/dbraw/zinc/06/38/05/484063805.db2.gz KQTNZFLNUPHXLJ-KRWDZBQOSA-N 0 3 367.402 -0.151 20 0 FBADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000272860399 484067205 /nfs/dbraw/zinc/06/72/05/484067205.db2.gz KQTNZFLNUPHXLJ-QGZVFWFLSA-N 0 3 367.402 -0.151 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CCO1 ZINC000272882264 483601386 /nfs/dbraw/zinc/60/13/86/483601386.db2.gz VPXCPWBMMIPNST-HNNXBMFYSA-N 0 3 362.430 -0.031 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CCO1 ZINC000272882268 243882132 /nfs/dbraw/zinc/88/21/32/243882132.db2.gz VPXCPWBMMIPNST-OAHLLOKOSA-N 0 3 362.430 -0.031 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1CCNC(=O)C1 ZINC000272897348 483603560 /nfs/dbraw/zinc/60/35/60/483603560.db2.gz JNRLWYXIGOPCLR-UHFFFAOYSA-N 0 3 361.446 -0.457 20 0 FBADHN CN(C)CCOc1ccccc1CNC(=O)NCCN1CCNC(=O)C1 ZINC000272907327 483603472 /nfs/dbraw/zinc/60/34/72/483603472.db2.gz JGHXVLMMVSJVPQ-UHFFFAOYSA-N 0 3 363.462 -0.142 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCO1 ZINC000272924198 483604579 /nfs/dbraw/zinc/60/45/79/483604579.db2.gz BILIBJWODKJFIN-CVEARBPZSA-N 0 3 362.430 -0.351 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000272924199 483604724 /nfs/dbraw/zinc/60/47/24/483604724.db2.gz BILIBJWODKJFIN-HOTGVXAUSA-N 0 3 362.430 -0.351 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCO1 ZINC000272924200 483604835 /nfs/dbraw/zinc/60/48/35/483604835.db2.gz BILIBJWODKJFIN-HZPDHXFCSA-N 0 3 362.430 -0.351 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000272924202 483604452 /nfs/dbraw/zinc/60/44/52/483604452.db2.gz BILIBJWODKJFIN-JKSUJKDBSA-N 0 3 362.430 -0.351 20 0 FBADHN O=C(CN1CC(=O)[N-]C1=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272944922 483606276 /nfs/dbraw/zinc/60/62/76/483606276.db2.gz XLFJBOHNYNDTPD-HNNXBMFYSA-N 0 3 360.414 -0.189 20 0 FBADHN O=C(CN1CC(=O)[N-]C1=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272944922 483606271 /nfs/dbraw/zinc/60/62/71/483606271.db2.gz XLFJBOHNYNDTPD-HNNXBMFYSA-N 0 3 360.414 -0.189 20 0 FBADHN O=C(CN1CC(=O)[N-]C1=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272944925 483605822 /nfs/dbraw/zinc/60/58/22/483605822.db2.gz XLFJBOHNYNDTPD-OAHLLOKOSA-N 0 3 360.414 -0.189 20 0 FBADHN O=C(CN1CC(=O)[N-]C1=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272944925 483605819 /nfs/dbraw/zinc/60/58/19/483605819.db2.gz XLFJBOHNYNDTPD-OAHLLOKOSA-N 0 3 360.414 -0.189 20 0 FBADHN CCN(CC)Cc1cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c1 ZINC000272972746 483607397 /nfs/dbraw/zinc/60/73/97/483607397.db2.gz JTDBOAQGQOZBEJ-UHFFFAOYSA-N 0 3 356.448 -0.128 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)NCCN2CCNC(=O)C2)ccn1 ZINC000272983165 243885838 /nfs/dbraw/zinc/88/58/38/243885838.db2.gz PHAGBBYYXITUPQ-UHFFFAOYSA-N 0 3 364.450 -0.747 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCCCN(C)CCOC ZINC000273007698 483606957 /nfs/dbraw/zinc/60/69/57/483606957.db2.gz BHQIXEYIHRMFJT-UHFFFAOYSA-N 0 3 369.422 -0.380 20 0 FBADHN CN(C)C1(CNC(=O)NCCN2CCNC(=O)C2)Cc2ccccc2C1 ZINC000273052292 483609810 /nfs/dbraw/zinc/60/98/10/483609810.db2.gz XLVQSLRPFMOJDA-UHFFFAOYSA-N 0 3 359.474 -0.183 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)NCCN2CCNC(=O)C2)cc1 ZINC000273066732 483610691 /nfs/dbraw/zinc/61/06/91/483610691.db2.gz YZGMZPYXELOYFR-UHFFFAOYSA-N 0 3 363.462 -0.142 20 0 FBADHN Cn1c2ncn(CCN[C@H](CO)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000273101316 483611618 /nfs/dbraw/zinc/61/16/18/483611618.db2.gz MCIAFLBAGFQNJM-CYBMUJFWSA-N 0 3 361.377 -0.104 20 0 FBADHN Cn1c2ncn(CCN[C@@H](CO)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000273101320 483611772 /nfs/dbraw/zinc/61/17/72/483611772.db2.gz MCIAFLBAGFQNJM-ZDUSSCGKSA-N 0 3 361.377 -0.104 20 0 FBADHN COC(=O)c1cn(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)nn1 ZINC000273125191 483612235 /nfs/dbraw/zinc/61/22/35/483612235.db2.gz QIJPRIAPDRULQT-HNNXBMFYSA-N 0 3 373.413 -0.052 20 0 FBADHN COC(=O)c1cn(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)nn1 ZINC000273125194 483611507 /nfs/dbraw/zinc/61/15/07/483611507.db2.gz QIJPRIAPDRULQT-OAHLLOKOSA-N 0 3 373.413 -0.052 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C1=NN(CCO)C(=O)CC1 ZINC000273126470 483611802 /nfs/dbraw/zinc/61/18/02/483611802.db2.gz QQODXXKAVJPLTK-INIZCTEOSA-N 0 3 374.441 -0.160 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C1=NN(CCO)C(=O)CC1 ZINC000273126475 483611288 /nfs/dbraw/zinc/61/12/88/483611288.db2.gz QQODXXKAVJPLTK-MRXNPFEDSA-N 0 3 374.441 -0.160 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000273127396 243894688 /nfs/dbraw/zinc/89/46/88/243894688.db2.gz LWKYJHMAQXCBQU-UHFFFAOYSA-N 0 3 369.422 -0.428 20 0 FBADHN Cn1cc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c(=O)[nH]c1=O ZINC000273137162 483613262 /nfs/dbraw/zinc/61/32/62/483613262.db2.gz SURFBJBKWFDALV-AWEZNQCLSA-N 0 3 358.398 -0.018 20 0 FBADHN Cn1cc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c(=O)[nH]c1=O ZINC000273137165 483613586 /nfs/dbraw/zinc/61/35/86/483613586.db2.gz SURFBJBKWFDALV-CQSZACIVSA-N 0 3 358.398 -0.018 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCCN(C)CCCOC ZINC000273201448 483615172 /nfs/dbraw/zinc/61/51/72/483615172.db2.gz BDGNUDRBDNIGFD-UHFFFAOYSA-N 0 3 369.422 -0.380 20 0 FBADHN CN1CCC(O)(CNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1 ZINC000273289144 483616757 /nfs/dbraw/zinc/61/67/57/483616757.db2.gz IGZWQGREYMMQFK-UHFFFAOYSA-N 0 3 358.402 -0.221 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1 ZINC000273314206 483617361 /nfs/dbraw/zinc/61/73/61/483617361.db2.gz NXASOGNUKDTZJD-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1 ZINC000273354796 483618493 /nfs/dbraw/zinc/61/84/93/483618493.db2.gz YVJWFEVZWSOMTP-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2nccn(C)c2=O)CC1 ZINC000273366419 483619029 /nfs/dbraw/zinc/61/90/29/483619029.db2.gz DYTGORPNLZGTJE-UHFFFAOYSA-N 0 3 350.423 -0.202 20 0 FBADHN CN(C)CCN1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000273373153 535874756 /nfs/dbraw/zinc/87/47/56/535874756.db2.gz HBYUPQDRMZQADQ-UHFFFAOYSA-N 0 3 367.475 -0.810 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1 ZINC000273419370 483622177 /nfs/dbraw/zinc/62/21/77/483622177.db2.gz JPUGVKBSJCDXFJ-UHFFFAOYSA-N 0 3 364.446 -0.298 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1nccn(C)c1=O ZINC000273453010 483622394 /nfs/dbraw/zinc/62/23/94/483622394.db2.gz ZLVNSBOOPVSJLM-GFCCVEGCSA-N 0 3 350.423 -0.156 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1nccn(C)c1=O ZINC000273453011 483621805 /nfs/dbraw/zinc/62/18/05/483621805.db2.gz ZLVNSBOOPVSJLM-LBPRGKRZSA-N 0 3 350.423 -0.156 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cnc21 ZINC000273461143 483621840 /nfs/dbraw/zinc/62/18/40/483621840.db2.gz GNWZPJZOODRVAF-UHFFFAOYSA-N 0 3 369.447 -0.100 20 0 FBADHN CN(C)CCN1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000273471457 535873600 /nfs/dbraw/zinc/87/36/00/535873600.db2.gz ORLZUYMQOORTEA-UHFFFAOYSA-N 0 3 367.475 -0.810 20 0 FBADHN CS[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1N1CCCC1 ZINC000273482660 483623894 /nfs/dbraw/zinc/62/38/94/483623894.db2.gz JFNCJMIEBVCJMK-CHWSQXEVSA-N 0 3 352.460 -0.415 20 0 FBADHN CS[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1N1CCCC1 ZINC000273482662 483623403 /nfs/dbraw/zinc/62/34/03/483623403.db2.gz JFNCJMIEBVCJMK-OLZOCXBDSA-N 0 3 352.460 -0.415 20 0 FBADHN CS[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1N1CCCC1 ZINC000273482664 483623757 /nfs/dbraw/zinc/62/37/57/483623757.db2.gz JFNCJMIEBVCJMK-QWHCGFSZSA-N 0 3 352.460 -0.415 20 0 FBADHN CS[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1N1CCCC1 ZINC000273483746 483623919 /nfs/dbraw/zinc/62/39/19/483623919.db2.gz JFNCJMIEBVCJMK-STQMWFEESA-N 0 3 352.460 -0.415 20 0 FBADHN CN1CCN(CCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000273499116 483624035 /nfs/dbraw/zinc/62/40/35/483624035.db2.gz YBQUSGXBKUQKBF-UHFFFAOYSA-N 0 3 367.475 -0.762 20 0 FBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(C)(C)CC(N)=O)C2=O ZINC000273536783 483624701 /nfs/dbraw/zinc/62/47/01/483624701.db2.gz SGHILRXHTQLOJM-UHFFFAOYSA-N 0 3 353.423 -0.238 20 0 FBADHN COCCN(C)CCNC(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000273672466 483627537 /nfs/dbraw/zinc/62/75/37/483627537.db2.gz LLHQHNADRXWHPH-UHFFFAOYSA-N 0 3 368.438 -0.011 20 0 FBADHN CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000273689713 483627562 /nfs/dbraw/zinc/62/75/62/483627562.db2.gz GZGRIGVXEAEUBK-INIZCTEOSA-N 0 3 357.476 -0.044 20 0 FBADHN CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000273689718 483627078 /nfs/dbraw/zinc/62/70/78/483627078.db2.gz GZGRIGVXEAEUBK-MRXNPFEDSA-N 0 3 357.476 -0.044 20 0 FBADHN CNc1nnc(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000273734446 483629059 /nfs/dbraw/zinc/62/90/59/483629059.db2.gz REOMQONPESVJAB-LLVKDONJSA-N 0 3 352.464 -0.113 20 0 FBADHN CNc1nnc(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000273734447 483629170 /nfs/dbraw/zinc/62/91/70/483629170.db2.gz REOMQONPESVJAB-NSHDSACASA-N 0 3 352.464 -0.113 20 0 FBADHN CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CCCOC(=O)N=C(N)[O-] ZINC000273835703 483630633 /nfs/dbraw/zinc/63/06/33/483630633.db2.gz IGEQPDXSBIFFSB-LLVKDONJSA-N 0 3 359.427 -0.336 20 0 FBADHN CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CCCOC(=O)N=C(N)[O-] ZINC000273835703 483630628 /nfs/dbraw/zinc/63/06/28/483630628.db2.gz IGEQPDXSBIFFSB-LLVKDONJSA-N 0 3 359.427 -0.336 20 0 FBADHN CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CCCOC(=O)N=C(N)[O-] ZINC000273835706 483630078 /nfs/dbraw/zinc/63/00/78/483630078.db2.gz IGEQPDXSBIFFSB-NSHDSACASA-N 0 3 359.427 -0.336 20 0 FBADHN CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CCCOC(=O)N=C(N)[O-] ZINC000273835706 483630076 /nfs/dbraw/zinc/63/00/76/483630076.db2.gz IGEQPDXSBIFFSB-NSHDSACASA-N 0 3 359.427 -0.336 20 0 FBADHN CCCNC(=O)C[C@H](C(N)=O)N(CCC)CCCN1C(=O)CNC1=O ZINC000273887575 483630788 /nfs/dbraw/zinc/63/07/88/483630788.db2.gz UPXBDHBXBGENKN-GFCCVEGCSA-N 0 3 355.439 -0.590 20 0 FBADHN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)CCCN1C(=O)CNC1=O ZINC000273887579 483630225 /nfs/dbraw/zinc/63/02/25/483630225.db2.gz UPXBDHBXBGENKN-LBPRGKRZSA-N 0 3 355.439 -0.590 20 0 FBADHN CCCNC(=O)C[C@H](C(N)=O)N(CCC)CCC(=O)NCC(=O)OC ZINC000273893127 483630917 /nfs/dbraw/zinc/63/09/17/483630917.db2.gz VTNFFLYSOMFQIC-GFCCVEGCSA-N 0 3 358.439 -0.852 20 0 FBADHN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)CCC(=O)NCC(=O)OC ZINC000273893130 483630766 /nfs/dbraw/zinc/63/07/66/483630766.db2.gz VTNFFLYSOMFQIC-LBPRGKRZSA-N 0 3 358.439 -0.852 20 0 FBADHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000273919549 483630864 /nfs/dbraw/zinc/63/08/64/483630864.db2.gz BDYJBSVOSWDPGT-CHWSQXEVSA-N 0 3 354.432 -0.094 20 0 FBADHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000273919550 483630717 /nfs/dbraw/zinc/63/07/17/483630717.db2.gz BDYJBSVOSWDPGT-OLZOCXBDSA-N 0 3 354.432 -0.094 20 0 FBADHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000273919552 483630186 /nfs/dbraw/zinc/63/01/86/483630186.db2.gz BDYJBSVOSWDPGT-QWHCGFSZSA-N 0 3 354.432 -0.094 20 0 FBADHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000273919554 483630315 /nfs/dbraw/zinc/63/03/15/483630315.db2.gz BDYJBSVOSWDPGT-STQMWFEESA-N 0 3 354.432 -0.094 20 0 FBADHN CN(C)CCOc1cc(-c2noc(Cn3ccc(=O)n(C)c3=O)n2)ccn1 ZINC000273954507 483632108 /nfs/dbraw/zinc/63/21/08/483632108.db2.gz NNZHXFPTIPPVMN-UHFFFAOYSA-N 0 3 372.385 -0.019 20 0 FBADHN CN(C)[C@@H](CNC(=O)CN1CCN(S(N)(=O)=O)CC1)c1ccccc1 ZINC000274046393 243921860 /nfs/dbraw/zinc/92/18/60/243921860.db2.gz NUIUTEREXVEZAW-HNNXBMFYSA-N 0 3 369.491 -0.773 20 0 FBADHN CN(C)[C@H](CNC(=O)CN1CCN(S(N)(=O)=O)CC1)c1ccccc1 ZINC000274046399 483633663 /nfs/dbraw/zinc/63/36/63/483633663.db2.gz NUIUTEREXVEZAW-OAHLLOKOSA-N 0 3 369.491 -0.773 20 0 FBADHN C[C@H](N[C@@H](C)[C@H](C)CO)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000274055175 483632875 /nfs/dbraw/zinc/63/28/75/483632875.db2.gz PTUZEWRXYGWZLK-AGIUHOORSA-N 0 3 357.476 -0.012 20 0 FBADHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000274055178 483633577 /nfs/dbraw/zinc/63/35/77/483633577.db2.gz PTUZEWRXYGWZLK-AVGNSLFASA-N 0 3 357.476 -0.012 20 0 FBADHN C[C@@H](N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](C)CO ZINC000274055181 483633814 /nfs/dbraw/zinc/63/38/14/483633814.db2.gz PTUZEWRXYGWZLK-UPJWGTAASA-N 0 3 357.476 -0.012 20 0 FBADHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000274055184 483632931 /nfs/dbraw/zinc/63/29/31/483632931.db2.gz PTUZEWRXYGWZLK-XQQFMLRXSA-N 0 3 357.476 -0.012 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CN2C[C@H](O)C[C@H]2CO)c(OC)c1 ZINC000274071524 483634584 /nfs/dbraw/zinc/63/45/84/483634584.db2.gz CEBZJZPRLKDYPL-BFHYXJOUSA-N 0 3 355.387 -0.351 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@H]2CO)c(OC)c1 ZINC000274071532 483635004 /nfs/dbraw/zinc/63/50/04/483635004.db2.gz CEBZJZPRLKDYPL-MELADBBJSA-N 0 3 355.387 -0.351 20 0 FBADHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000274139883 483635605 /nfs/dbraw/zinc/63/56/05/483635605.db2.gz ZMXOCDQRRMPQIB-CHWSQXEVSA-N 0 3 354.432 -0.094 20 0 FBADHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000274139885 483636750 /nfs/dbraw/zinc/63/67/50/483636750.db2.gz ZMXOCDQRRMPQIB-OLZOCXBDSA-N 0 3 354.432 -0.094 20 0 FBADHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000274139887 483636890 /nfs/dbraw/zinc/63/68/90/483636890.db2.gz ZMXOCDQRRMPQIB-QWHCGFSZSA-N 0 3 354.432 -0.094 20 0 FBADHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000274139889 483636190 /nfs/dbraw/zinc/63/61/90/483636190.db2.gz ZMXOCDQRRMPQIB-STQMWFEESA-N 0 3 354.432 -0.094 20 0 FBADHN Cc1cc(C)n(CC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(=O)n1 ZINC000274175419 483638206 /nfs/dbraw/zinc/63/82/06/483638206.db2.gz IFDLQTXGAGXRBV-HNNXBMFYSA-N 0 3 363.462 -0.081 20 0 FBADHN Cc1cc(C)n(CC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(=O)n1 ZINC000274175423 483637893 /nfs/dbraw/zinc/63/78/93/483637893.db2.gz IFDLQTXGAGXRBV-OAHLLOKOSA-N 0 3 363.462 -0.081 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1=O ZINC000274221820 483637261 /nfs/dbraw/zinc/63/72/61/483637261.db2.gz OVCVNDIKSIWZEP-CYBMUJFWSA-N 0 3 364.425 -0.326 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1=O ZINC000274221824 483637761 /nfs/dbraw/zinc/63/77/61/483637761.db2.gz OVCVNDIKSIWZEP-ZDUSSCGKSA-N 0 3 364.425 -0.326 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1 ZINC000274271082 483639765 /nfs/dbraw/zinc/63/97/65/483639765.db2.gz WSSBJOHMWVERSN-UHFFFAOYSA-N 0 3 358.446 -0.110 20 0 FBADHN COC(=O)CNC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274296238 483640757 /nfs/dbraw/zinc/64/07/57/483640757.db2.gz DDJFDLNCSIKOMS-GOSISDBHSA-N 0 3 374.397 -0.528 20 0 FBADHN COC(=O)CNC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274296244 483640848 /nfs/dbraw/zinc/64/08/48/483640848.db2.gz DDJFDLNCSIKOMS-SFHVURJKSA-N 0 3 374.397 -0.528 20 0 FBADHN NC(=O)NC(=O)CCN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274325919 483641979 /nfs/dbraw/zinc/64/19/79/483641979.db2.gz LJOCKKFQLVDUMZ-KRWDZBQOSA-N 0 3 359.386 -0.232 20 0 FBADHN NC(=O)NC(=O)CCN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274325922 483641667 /nfs/dbraw/zinc/64/16/67/483641667.db2.gz LJOCKKFQLVDUMZ-QGZVFWFLSA-N 0 3 359.386 -0.232 20 0 FBADHN CNC(=O)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274332360 483641741 /nfs/dbraw/zinc/64/17/41/483641741.db2.gz NHSQUSWRVXVLTJ-KRWDZBQOSA-N 0 3 359.386 -0.362 20 0 FBADHN CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274332362 483641649 /nfs/dbraw/zinc/64/16/49/483641649.db2.gz NHSQUSWRVXVLTJ-QGZVFWFLSA-N 0 3 359.386 -0.362 20 0 FBADHN O=C(CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O)N1CCNC1=O ZINC000274339465 483642457 /nfs/dbraw/zinc/64/24/57/483642457.db2.gz PMWGDTATDFQFQR-GOSISDBHSA-N 0 3 371.397 -0.265 20 0 FBADHN O=C(CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O)N1CCNC1=O ZINC000274339467 483642668 /nfs/dbraw/zinc/64/26/68/483642668.db2.gz PMWGDTATDFQFQR-SFHVURJKSA-N 0 3 371.397 -0.265 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000274340153 483642337 /nfs/dbraw/zinc/64/23/37/483642337.db2.gz IBHVTGRFAYGHEU-UHFFFAOYSA-N 0 3 362.477 -0.051 20 0 FBADHN CCN(CCO)CCNC(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000274374493 483643070 /nfs/dbraw/zinc/64/30/70/483643070.db2.gz CCEUXBHIWTVTCP-UHFFFAOYSA-N 0 3 356.427 -0.919 20 0 FBADHN CCN(CCO)CCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000274378451 483643675 /nfs/dbraw/zinc/64/36/75/483643675.db2.gz 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/nfs/dbraw/zinc/16/02/94/244160294.db2.gz RGJBRWBWHWXHJZ-JSGCOSHPSA-N 0 3 362.409 -0.077 20 0 FBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(CCN(C)C)CC2)c(=O)c1 ZINC000279522310 244166416 /nfs/dbraw/zinc/16/64/16/244166416.db2.gz GDMMLJSMOMVTOS-GOSISDBHSA-N 0 3 350.463 -0.386 20 0 FBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCN(CCN(C)C)CC2)c(=O)c1 ZINC000279522317 244167389 /nfs/dbraw/zinc/16/73/89/244167389.db2.gz GDMMLJSMOMVTOS-SFHVURJKSA-N 0 3 350.463 -0.386 20 0 FBADHN CCN1CCN(CCNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000279588996 535701364 /nfs/dbraw/zinc/70/13/64/535701364.db2.gz OBGRTHQFYTVYNX-GOSISDBHSA-N 0 3 350.463 -0.339 20 0 FBADHN CCN1CCN(CCNC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000279589000 535702307 /nfs/dbraw/zinc/70/23/07/535702307.db2.gz OBGRTHQFYTVYNX-SFHVURJKSA-N 0 3 350.463 -0.339 20 0 FBADHN NC(=O)[C@H]1CC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)O1 ZINC000279628331 244169136 /nfs/dbraw/zinc/16/91/36/244169136.db2.gz BLVWYPIQJZVIDQ-CVEARBPZSA-N 0 3 361.446 -0.257 20 0 FBADHN NC(=O)[C@@H]1CC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)O1 ZINC000279628334 244169647 /nfs/dbraw/zinc/16/96/47/244169647.db2.gz BLVWYPIQJZVIDQ-HOTGVXAUSA-N 0 3 361.446 -0.257 20 0 FBADHN NC(=O)[C@H]1CC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)O1 ZINC000279628336 244170066 /nfs/dbraw/zinc/17/00/66/244170066.db2.gz BLVWYPIQJZVIDQ-HZPDHXFCSA-N 0 3 361.446 -0.257 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)O1 ZINC000279628341 244170212 /nfs/dbraw/zinc/17/02/12/244170212.db2.gz BLVWYPIQJZVIDQ-JKSUJKDBSA-N 0 3 361.446 -0.257 20 0 FBADHN CN(CCN1C(=O)CNC1=O)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279728563 244172451 /nfs/dbraw/zinc/17/24/51/244172451.db2.gz NKOKCWSNZZXFPA-JSGCOSHPSA-N 0 3 352.414 -0.184 20 0 FBADHN O=C(CN1CCOCC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000279811161 244173264 /nfs/dbraw/zinc/17/32/64/244173264.db2.gz LEMOKUISGTYAII-DLBZAZTESA-N 0 3 361.442 -0.156 20 0 FBADHN O=C(CN1CCOCC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000279811177 244172897 /nfs/dbraw/zinc/17/28/97/244172897.db2.gz LEMOKUISGTYAII-IAGOWNOFSA-N 0 3 361.442 -0.156 20 0 FBADHN O=C(CN1CCOCC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000279811191 244172821 /nfs/dbraw/zinc/17/28/21/244172821.db2.gz LEMOKUISGTYAII-IRXDYDNUSA-N 0 3 361.442 -0.156 20 0 FBADHN O=C(CN1CCOCC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000279811210 244174584 /nfs/dbraw/zinc/17/45/84/244174584.db2.gz LEMOKUISGTYAII-SJORKVTESA-N 0 3 361.442 -0.156 20 0 FBADHN C[C@H](CN1CCOCC1)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000279822688 244173708 /nfs/dbraw/zinc/17/37/08/244173708.db2.gz YTWVYQRPPRHCKY-CYBMUJFWSA-N 0 3 364.450 -0.914 20 0 FBADHN C[C@@H](CN1CCOCC1)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000279822696 244174599 /nfs/dbraw/zinc/17/45/99/244174599.db2.gz YTWVYQRPPRHCKY-ZDUSSCGKSA-N 0 3 364.450 -0.914 20 0 FBADHN O=C(COCC(=O)NCCN1CC=CCC1)NCCN1CC=CCC1 ZINC000279943732 483683845 /nfs/dbraw/zinc/68/38/45/483683845.db2.gz HVQMPZVUHNYOKG-UHFFFAOYSA-N 0 3 350.463 -0.241 20 0 FBADHN CN1CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000279946371 483683631 /nfs/dbraw/zinc/68/36/31/483683631.db2.gz YDUTYBGVGQFPJS-UHFFFAOYSA-N 0 3 352.460 -0.139 20 0 FBADHN COC[C@H](CO)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000280094890 244177981 /nfs/dbraw/zinc/17/79/81/244177981.db2.gz AZUKPYMPUJBRAC-HNNXBMFYSA-N 0 3 351.451 -0.100 20 0 FBADHN COC[C@@H](CO)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000280094891 536634382 /nfs/dbraw/zinc/63/43/82/536634382.db2.gz AZUKPYMPUJBRAC-OAHLLOKOSA-N 0 3 351.451 -0.100 20 0 FBADHN CN1CCN(Cc2ccc(CNC(=O)CN3CCOCC3=O)cc2)CC1 ZINC000280339871 244186286 /nfs/dbraw/zinc/18/62/86/244186286.db2.gz ZVHKYSBSWRWCRG-UHFFFAOYSA-N 0 3 360.458 -0.091 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280354207 244189747 /nfs/dbraw/zinc/18/97/47/244189747.db2.gz KUFKCGOCVOKHSE-QQDQCYIDSA-N 0 3 361.446 -0.083 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280354219 244188617 /nfs/dbraw/zinc/18/86/17/244188617.db2.gz KUFKCGOCVOKHSE-RNCIANSQSA-N 0 3 361.446 -0.083 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280354230 244190052 /nfs/dbraw/zinc/19/00/52/244190052.db2.gz KUFKCGOCVOKHSE-WGHIXYSZSA-N 0 3 361.446 -0.083 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280354242 244190851 /nfs/dbraw/zinc/19/08/51/244190851.db2.gz KUFKCGOCVOKHSE-YJOCZYATSA-N 0 3 361.446 -0.083 20 0 FBADHN COCCCN(C)CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280389164 536505872 /nfs/dbraw/zinc/50/58/72/536505872.db2.gz NEABHIXJBFBUCA-JKSUJKDBSA-N 0 3 367.450 -0.597 20 0 FBADHN COC[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000280424219 244190170 /nfs/dbraw/zinc/19/01/70/244190170.db2.gz KZBZOWBJTBHPAJ-HNNXBMFYSA-N 0 3 364.446 -0.110 20 0 FBADHN COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000280424221 244189066 /nfs/dbraw/zinc/18/90/66/244189066.db2.gz KZBZOWBJTBHPAJ-OAHLLOKOSA-N 0 3 364.446 -0.110 20 0 FBADHN COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000280473123 244192240 /nfs/dbraw/zinc/19/22/40/244192240.db2.gz PETQKOMJVFKPDD-CYBMUJFWSA-N 0 3 353.419 -0.003 20 0 FBADHN COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000280473127 244192156 /nfs/dbraw/zinc/19/21/56/244192156.db2.gz PETQKOMJVFKPDD-ZDUSSCGKSA-N 0 3 353.419 -0.003 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CO)COC)c2)CC1 ZINC000280478101 535750097 /nfs/dbraw/zinc/75/00/97/535750097.db2.gz PPJNEDDKWOLEBK-HNNXBMFYSA-N 0 3 364.446 -0.110 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CO)COC)c2)CC1 ZINC000280478108 535750007 /nfs/dbraw/zinc/75/00/07/535750007.db2.gz PPJNEDDKWOLEBK-OAHLLOKOSA-N 0 3 364.446 -0.110 20 0 FBADHN CN(C)CCn1c2cc(NC(=O)CN3CCOCC3=O)ccc2oc1=O ZINC000280648570 535933568 /nfs/dbraw/zinc/93/35/68/535933568.db2.gz NLGGWRSONQQPLP-UHFFFAOYSA-N 0 3 362.386 -0.047 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)CN2CCOCC2=O)c1 ZINC000280683373 535889806 /nfs/dbraw/zinc/88/98/06/535889806.db2.gz QOGLDLGSOYRISH-UHFFFAOYSA-N 0 3 362.430 -0.547 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(CCN(C)C)CC1 ZINC000280755723 244200194 /nfs/dbraw/zinc/20/01/94/244200194.db2.gz IEODUQPJHTYGOL-GOSISDBHSA-N 0 3 350.463 -0.386 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(CCN(C)C)CC1 ZINC000280755726 244199816 /nfs/dbraw/zinc/19/98/16/244199816.db2.gz IEODUQPJHTYGOL-SFHVURJKSA-N 0 3 350.463 -0.386 20 0 FBADHN O=C(CN1CCOCC1=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000280769005 244201327 /nfs/dbraw/zinc/20/13/27/244201327.db2.gz YVJXYFGYKXIPDA-UHFFFAOYSA-N 0 3 361.446 -0.431 20 0 FBADHN CN(C)CCNC(=O)c1ccc(CNC(=O)CN2CCOCC2=O)cc1 ZINC000280781020 535889445 /nfs/dbraw/zinc/88/94/45/535889445.db2.gz ZVJHSYOLLYDJNR-UHFFFAOYSA-N 0 3 362.430 -0.547 20 0 FBADHN COCCN(C)CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280784444 536792193 /nfs/dbraw/zinc/79/21/93/536792193.db2.gz KMBSZVLABFHILM-JKSUJKDBSA-N 0 3 367.450 -0.597 20 0 FBADHN COCCN(C)CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280789011 244200210 /nfs/dbraw/zinc/20/02/10/244200210.db2.gz FMBDROJGGYMBCV-LSDHHAIUSA-N 0 3 353.423 -0.987 20 0 FBADHN COC(=O)[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C ZINC000280818906 484858998 /nfs/dbraw/zinc/85/89/98/484858998.db2.gz UNVUWFIXCXXARL-VXGBXAGGSA-N 0 3 363.418 -0.435 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000280874218 244203901 /nfs/dbraw/zinc/20/39/01/244203901.db2.gz LMRDFEGYDOTXCE-BEFAXECRSA-N 0 3 364.490 -0.093 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000280874221 244204755 /nfs/dbraw/zinc/20/47/55/244204755.db2.gz LMRDFEGYDOTXCE-DNVCBOLYSA-N 0 3 364.490 -0.093 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000280874224 244202880 /nfs/dbraw/zinc/20/28/80/244202880.db2.gz LMRDFEGYDOTXCE-HNAYVOBHSA-N 0 3 364.490 -0.093 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000280874228 244202608 /nfs/dbraw/zinc/20/26/08/244202608.db2.gz LMRDFEGYDOTXCE-KXBFYZLASA-N 0 3 364.490 -0.093 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000280964440 244205504 /nfs/dbraw/zinc/20/55/04/244205504.db2.gz RHKUKYMFWYTGKB-CWRNSKLLSA-N 0 3 365.434 -0.893 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000280964445 535946869 /nfs/dbraw/zinc/94/68/69/535946869.db2.gz RHKUKYMFWYTGKB-VNQPRFMTSA-N 0 3 365.434 -0.893 20 0 FBADHN CCN1CCN(CCNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280971389 535701552 /nfs/dbraw/zinc/70/15/52/535701552.db2.gz RPXGWFQMWDUKBN-GOSISDBHSA-N 0 3 350.463 -0.339 20 0 FBADHN CCN1CCN(CCNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280971396 535701187 /nfs/dbraw/zinc/70/11/87/535701187.db2.gz RPXGWFQMWDUKBN-SFHVURJKSA-N 0 3 350.463 -0.339 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000280981173 244208090 /nfs/dbraw/zinc/20/80/90/244208090.db2.gz IVXHBWTTZIVUMH-UHFFFAOYSA-N 0 3 367.402 -0.149 20 0 FBADHN CCN(CCO)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000281033410 244209853 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FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cc1OC ZINC000281123748 483685739 /nfs/dbraw/zinc/68/57/39/483685739.db2.gz VONJTCZFLYFVCE-KRWDZBQOSA-N 0 3 367.402 -0.151 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cc1OC ZINC000281123754 483685952 /nfs/dbraw/zinc/68/59/52/483685952.db2.gz VONJTCZFLYFVCE-QGZVFWFLSA-N 0 3 367.402 -0.151 20 0 FBADHN CNC(=O)[C@]1(C)CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000281186706 244211956 /nfs/dbraw/zinc/21/19/56/244211956.db2.gz RDZFCJZEUDTMOU-GOSISDBHSA-N 0 3 362.430 -0.375 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000281186710 536372409 /nfs/dbraw/zinc/37/24/09/536372409.db2.gz RDZFCJZEUDTMOU-SFHVURJKSA-N 0 3 362.430 -0.375 20 0 FBADHN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000281239997 244216645 /nfs/dbraw/zinc/21/66/45/244216645.db2.gz UMBNIZDJXATRIN-KBXCAEBGSA-N 0 3 360.462 -0.028 20 0 FBADHN CNC(=O)[C@@]1(C)CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000281240002 536372945 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/nfs/dbraw/zinc/36/80/48/536368048.db2.gz SZOGJIXNNOTZDD-CYBMUJFWSA-N 0 3 357.418 -0.258 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc3c2nnn3C)CC1 ZINC000282945181 244273011 /nfs/dbraw/zinc/27/30/11/244273011.db2.gz SZOGJIXNNOTZDD-ZDUSSCGKSA-N 0 3 357.418 -0.258 20 0 FBADHN COC(=O)c1cccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c1 ZINC000282960004 244272953 /nfs/dbraw/zinc/27/29/53/244272953.db2.gz ILGGRKFVBDTRGZ-SECBINFHSA-N 0 3 355.372 -0.181 20 0 FBADHN COC(=O)c1cccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c1 ZINC000282960008 244276202 /nfs/dbraw/zinc/27/62/02/244276202.db2.gz ILGGRKFVBDTRGZ-VIFPVBQESA-N 0 3 355.372 -0.181 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NC(=O)NCc1ccccc1 ZINC000282972645 244277574 /nfs/dbraw/zinc/27/75/74/244277574.db2.gz JAOYDLCNIISWLE-JTQLQIEISA-N 0 3 354.388 -0.580 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NC(=O)NCc1ccccc1 ZINC000282972648 244277772 /nfs/dbraw/zinc/27/77/72/244277772.db2.gz JAOYDLCNIISWLE-SNVBAGLBSA-N 0 3 354.388 -0.580 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000282972702 244277200 /nfs/dbraw/zinc/27/72/00/244277200.db2.gz JBMGZOPTQDNACZ-JTQLQIEISA-N 0 3 368.415 -0.266 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000282972707 244278625 /nfs/dbraw/zinc/27/86/25/244278625.db2.gz JBMGZOPTQDNACZ-SNVBAGLBSA-N 0 3 368.415 -0.266 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccco2)CC1 ZINC000282996777 244277643 /nfs/dbraw/zinc/27/76/43/244277643.db2.gz GQKZKDPVPWOLQH-UHFFFAOYSA-N 0 3 350.419 -0.092 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000283020172 244277254 /nfs/dbraw/zinc/27/72/54/244277254.db2.gz MDTGDZRPIULZLS-JTQLQIEISA-N 0 3 361.445 -0.156 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000283020175 244279164 /nfs/dbraw/zinc/27/91/64/244279164.db2.gz MDTGDZRPIULZLS-SNVBAGLBSA-N 0 3 361.445 -0.156 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000283022786 244279291 /nfs/dbraw/zinc/27/92/91/244279291.db2.gz BBNLJRPJZSBSJX-CYBMUJFWSA-N 0 3 350.423 -0.900 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000283022788 244279310 /nfs/dbraw/zinc/27/93/10/244279310.db2.gz BBNLJRPJZSBSJX-ZDUSSCGKSA-N 0 3 350.423 -0.900 20 0 FBADHN COC(=O)c1ccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000283027333 536744840 /nfs/dbraw/zinc/74/48/40/536744840.db2.gz MQIHBARKBPOXMZ-SECBINFHSA-N 0 3 355.372 -0.181 20 0 FBADHN COC(=O)c1ccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000283027336 536745100 /nfs/dbraw/zinc/74/51/00/536745100.db2.gz MQIHBARKBPOXMZ-VIFPVBQESA-N 0 3 355.372 -0.181 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000283031166 244278135 /nfs/dbraw/zinc/27/81/35/244278135.db2.gz MXSRSSDCWXAWNH-MRVPVSSYSA-N 0 3 353.356 -0.393 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000283031169 244277405 /nfs/dbraw/zinc/27/74/05/244277405.db2.gz MXSRSSDCWXAWNH-QMMMGPOBSA-N 0 3 353.356 -0.393 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccnc2)CC1 ZINC000283045078 536388998 /nfs/dbraw/zinc/38/89/98/536388998.db2.gz JOXRYVQYHQBLCJ-HNNXBMFYSA-N 0 3 359.430 -0.537 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccnc2)CC1 ZINC000283045082 536367582 /nfs/dbraw/zinc/36/75/82/536367582.db2.gz JOXRYVQYHQBLCJ-OAHLLOKOSA-N 0 3 359.430 -0.537 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC(CO)CC2)ccn1 ZINC000283067648 244281278 /nfs/dbraw/zinc/28/12/78/244281278.db2.gz ALEPTPDRQHSYLX-UHFFFAOYSA-N 0 3 364.446 -0.131 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000283097881 244281162 /nfs/dbraw/zinc/28/11/62/244281162.db2.gz RABZYCAVIJZFPR-SECBINFHSA-N 0 3 355.372 -0.561 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000283097886 244281371 /nfs/dbraw/zinc/28/13/71/244281371.db2.gz RABZYCAVIJZFPR-VIFPVBQESA-N 0 3 355.372 -0.561 20 0 FBADHN CC(=O)Nc1ccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000283107963 244286425 /nfs/dbraw/zinc/28/64/25/244286425.db2.gz RTSJQSAAFPSWHC-SECBINFHSA-N 0 3 354.388 -0.009 20 0 FBADHN CC(=O)Nc1ccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000283107966 244283847 /nfs/dbraw/zinc/28/38/47/244283847.db2.gz RTSJQSAAFPSWHC-VIFPVBQESA-N 0 3 354.388 -0.009 20 0 FBADHN CNS(=O)(=O)N1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000283134357 244283245 /nfs/dbraw/zinc/28/32/45/244283245.db2.gz DRSSUAGWRYGPDX-UHFFFAOYSA-N 0 3 371.463 -0.756 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccccn2)CC1 ZINC000283145001 536388967 /nfs/dbraw/zinc/38/89/67/536388967.db2.gz PEWAUAPNWXEOGG-INIZCTEOSA-N 0 3 373.457 -0.495 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccccn2)CC1 ZINC000283145007 536367351 /nfs/dbraw/zinc/36/73/51/536367351.db2.gz PEWAUAPNWXEOGG-MRXNPFEDSA-N 0 3 373.457 -0.495 20 0 FBADHN CC(=O)Nc1cccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c1 ZINC000283146544 244285729 /nfs/dbraw/zinc/28/57/29/244285729.db2.gz UVQWZYBMRITUNW-SECBINFHSA-N 0 3 354.388 -0.009 20 0 FBADHN CC(=O)Nc1cccc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c1 ZINC000283146549 244284139 /nfs/dbraw/zinc/28/41/39/244284139.db2.gz UVQWZYBMRITUNW-VIFPVBQESA-N 0 3 354.388 -0.009 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccnc2)CC1 ZINC000283158083 244284856 /nfs/dbraw/zinc/28/48/56/244284856.db2.gz PZWAGXCYWVISQO-UHFFFAOYSA-N 0 3 361.446 -0.290 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccncc2)CC1 ZINC000283182927 244289041 /nfs/dbraw/zinc/28/90/41/244289041.db2.gz RLUKEPPZYSANQA-UHFFFAOYSA-N 0 3 361.446 -0.290 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000283217466 483689820 /nfs/dbraw/zinc/68/98/20/483689820.db2.gz AYILOODZDQTHTE-UHFFFAOYSA-N 0 3 364.450 -0.988 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)NCCn2ccnc2)ccn1 ZINC000283226349 483690224 /nfs/dbraw/zinc/69/02/24/483690224.db2.gz BRJLVPHJOODAMS-UHFFFAOYSA-N 0 3 360.418 -0.349 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccccn2)CC1 ZINC000283238627 244291051 /nfs/dbraw/zinc/29/10/51/244291051.db2.gz LCDGXHCQJFXPDL-UHFFFAOYSA-N 0 3 361.446 -0.290 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCOCC2)c1 ZINC000283252903 535889836 /nfs/dbraw/zinc/88/98/36/535889836.db2.gz QLSWXFDTAHNEPB-UHFFFAOYSA-N 0 3 362.430 -0.547 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000283262498 244291593 /nfs/dbraw/zinc/29/15/93/244291593.db2.gz BWBUFCIGPYGZSQ-MSOLQXFVSA-N 0 3 373.501 -0.261 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000283262501 244292744 /nfs/dbraw/zinc/29/27/44/244292744.db2.gz BWBUFCIGPYGZSQ-QZTJIDSGSA-N 0 3 373.501 -0.261 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000283262504 244292678 /nfs/dbraw/zinc/29/26/78/244292678.db2.gz BWBUFCIGPYGZSQ-ROUUACIJSA-N 0 3 373.501 -0.261 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000283262508 244291956 /nfs/dbraw/zinc/29/19/56/244291956.db2.gz BWBUFCIGPYGZSQ-ZWKOTPCHSA-N 0 3 373.501 -0.261 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C)CC3)CC2)c1 ZINC000283265329 537113867 /nfs/dbraw/zinc/11/38/67/537113867.db2.gz AVNYZIAWQLGQBQ-UHFFFAOYSA-N 0 3 361.446 -0.051 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)COCc2ccnn2C)CC1 ZINC000283266660 244292097 /nfs/dbraw/zinc/29/20/97/244292097.db2.gz AJPQVTBSMDBMFA-UHFFFAOYSA-N 0 3 351.451 -0.051 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC2=O)cn1 ZINC000283292236 244290581 /nfs/dbraw/zinc/29/05/81/244290581.db2.gz CJZTUURXPMTAEF-UHFFFAOYSA-N 0 3 374.445 -0.662 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COCc1ccnn1C ZINC000283299254 244294322 /nfs/dbraw/zinc/29/43/22/244294322.db2.gz GHZZNXOXBNAMRR-HNNXBMFYSA-N 0 3 351.451 -0.004 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)COCc1ccnn1C ZINC000283299256 244294173 /nfs/dbraw/zinc/29/41/73/244294173.db2.gz GHZZNXOXBNAMRR-OAHLLOKOSA-N 0 3 351.451 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)Cn2cccn2)CC1 ZINC000283305543 483690552 /nfs/dbraw/zinc/69/05/52/483690552.db2.gz FXUFMRJJOZLQJU-CVEARBPZSA-N 0 3 364.494 -0.222 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)Cn2cccn2)CC1 ZINC000283305552 483690545 /nfs/dbraw/zinc/69/05/45/483690545.db2.gz FXUFMRJJOZLQJU-HOTGVXAUSA-N 0 3 364.494 -0.222 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)Cn2cccn2)CC1 ZINC000283305558 483690338 /nfs/dbraw/zinc/69/03/38/483690338.db2.gz FXUFMRJJOZLQJU-HZPDHXFCSA-N 0 3 364.494 -0.222 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)Cn2cccn2)CC1 ZINC000283305567 483690149 /nfs/dbraw/zinc/69/01/49/483690149.db2.gz FXUFMRJJOZLQJU-JKSUJKDBSA-N 0 3 364.494 -0.222 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000283339538 483690856 /nfs/dbraw/zinc/69/08/56/483690856.db2.gz GTFBDWSYZNFSAB-UHFFFAOYSA-N 0 3 367.479 -0.631 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NCCCn1ccnc1)N1CCN(C)CC1 ZINC000283347024 483690733 /nfs/dbraw/zinc/69/07/33/483690733.db2.gz SZBDBMHNBFYIPX-INIZCTEOSA-N 0 3 364.494 -0.222 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)NCCCn1ccnc1)N1CCN(C)CC1 ZINC000283347028 483690938 /nfs/dbraw/zinc/69/09/38/483690938.db2.gz SZBDBMHNBFYIPX-MRXNPFEDSA-N 0 3 364.494 -0.222 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCn2ccnc2)CC1 ZINC000283352548 483691447 /nfs/dbraw/zinc/69/14/47/483691447.db2.gz UEBCJUHMQRQKEG-INIZCTEOSA-N 0 3 364.494 -0.221 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCn2ccnc2)CC1 ZINC000283352550 483691798 /nfs/dbraw/zinc/69/17/98/483691798.db2.gz UEBCJUHMQRQKEG-MRXNPFEDSA-N 0 3 364.494 -0.221 20 0 FBADHN C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000283370078 244297350 /nfs/dbraw/zinc/29/73/50/244297350.db2.gz FWHYVQMHJOSLCP-LLVKDONJSA-N 0 3 356.448 -0.469 20 0 FBADHN C[C@H](NC(=O)C(=O)N(C)CCN(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000283370079 244296788 /nfs/dbraw/zinc/29/67/88/244296788.db2.gz FWHYVQMHJOSLCP-NSHDSACASA-N 0 3 356.448 -0.469 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCCn2ccnc2)CC1(C)C ZINC000283379147 244296126 /nfs/dbraw/zinc/29/61/26/244296126.db2.gz WEIMUGXBGGVGRJ-UHFFFAOYSA-N 0 3 350.467 -0.468 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000283416382 244295758 /nfs/dbraw/zinc/29/57/58/244295758.db2.gz KYDQEICIIYBECQ-UHFFFAOYSA-N 0 3 364.425 -0.135 20 0 FBADHN CCNC(=O)N1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000283435307 535791523 /nfs/dbraw/zinc/79/15/23/535791523.db2.gz COMMKBJDBWJWHJ-UHFFFAOYSA-N 0 3 352.443 -0.052 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000283447401 244300830 /nfs/dbraw/zinc/30/08/30/244300830.db2.gz CTDKUNYXVQYLSP-INIZCTEOSA-N 0 3 374.441 -0.520 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000283447403 244299280 /nfs/dbraw/zinc/29/92/80/244299280.db2.gz CTDKUNYXVQYLSP-MRXNPFEDSA-N 0 3 374.441 -0.520 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000283462474 244299948 /nfs/dbraw/zinc/29/99/48/244299948.db2.gz NFYRHGRQAMFYJJ-UHFFFAOYSA-N 0 3 373.457 -0.034 20 0 FBADHN COCCCNC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000283475372 244298788 /nfs/dbraw/zinc/29/87/88/244298788.db2.gz FQCUWQZZBSCDEP-UHFFFAOYSA-N 0 3 364.446 -0.253 20 0 FBADHN COc1cc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)ccn1 ZINC000283485339 244299088 /nfs/dbraw/zinc/29/90/88/244299088.db2.gz HKQRPFTVYZOQLS-UHFFFAOYSA-N 0 3 363.462 -0.198 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccoc2)CC1 ZINC000283487548 244303743 /nfs/dbraw/zinc/30/37/43/244303743.db2.gz NZQMNHGTCHROCE-UHFFFAOYSA-N 0 3 350.419 -0.092 20 0 FBADHN COCc1cccc(CNC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c1 ZINC000283491240 244303688 /nfs/dbraw/zinc/30/36/88/244303688.db2.gz INZYYLVKEAXVNN-LLVKDONJSA-N 0 3 355.416 -0.144 20 0 FBADHN COCc1cccc(CNC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c1 ZINC000283491243 244301460 /nfs/dbraw/zinc/30/14/60/244301460.db2.gz INZYYLVKEAXVNN-NSHDSACASA-N 0 3 355.416 -0.144 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)Cc1ccccc1 ZINC000283496304 244303207 /nfs/dbraw/zinc/30/32/07/244303207.db2.gz NEARKXSLYHYHTE-HNNXBMFYSA-N 0 3 362.430 -0.663 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)Cc1ccccc1 ZINC000283496310 536348923 /nfs/dbraw/zinc/34/89/23/536348923.db2.gz NEARKXSLYHYHTE-OAHLLOKOSA-N 0 3 362.430 -0.663 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)c1cccc(S(N)(=O)=O)c1 ZINC000283547912 244302455 /nfs/dbraw/zinc/30/24/55/244302455.db2.gz QLVDYKALJRMSOZ-LLVKDONJSA-N 0 3 368.459 -0.278 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)c1cccc(S(N)(=O)=O)c1 ZINC000283547915 244302048 /nfs/dbraw/zinc/30/20/48/244302048.db2.gz QLVDYKALJRMSOZ-NSHDSACASA-N 0 3 368.459 -0.278 20 0 FBADHN CS(=O)(=O)CCNC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000283563262 244306028 /nfs/dbraw/zinc/30/60/28/244306028.db2.gz MFAODHCKKGBJLX-UHFFFAOYSA-N 0 3 367.471 -0.072 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(O)cc2)CC1 ZINC000283573694 536389266 /nfs/dbraw/zinc/38/92/66/536389266.db2.gz OHVCMCNMXPNSDL-INIZCTEOSA-N 0 3 374.441 -0.227 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(O)cc2)CC1 ZINC000283573697 536367164 /nfs/dbraw/zinc/36/71/64/536367164.db2.gz OHVCMCNMXPNSDL-MRXNPFEDSA-N 0 3 374.441 -0.227 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccoc1 ZINC000283581402 244305559 /nfs/dbraw/zinc/30/55/59/244305559.db2.gz VCHDUNXPBMPKMP-AWEZNQCLSA-N 0 3 350.419 -0.045 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccoc1 ZINC000283581406 244306932 /nfs/dbraw/zinc/30/69/32/244306932.db2.gz VCHDUNXPBMPKMP-CQSZACIVSA-N 0 3 350.419 -0.045 20 0 FBADHN COc1cc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)ccn1 ZINC000283599495 244305776 /nfs/dbraw/zinc/30/57/76/244305776.db2.gz QPTXCWRFMOVOGT-UHFFFAOYSA-N 0 3 363.462 -0.151 20 0 FBADHN COCCCNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000283599754 536551131 /nfs/dbraw/zinc/55/11/31/536551131.db2.gz PCLOMYVOGNGRLA-UHFFFAOYSA-N 0 3 363.462 -0.137 20 0 FBADHN C[C@@H](Cn1cccn1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000283624093 244309356 /nfs/dbraw/zinc/30/93/56/244309356.db2.gz YIQGXNNHFKSKNO-AWEZNQCLSA-N 0 3 350.467 -0.470 20 0 FBADHN C[C@H](Cn1cccn1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000283624097 244307463 /nfs/dbraw/zinc/30/74/63/244307463.db2.gz 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/nfs/dbraw/zinc/30/90/04/244309004.db2.gz APYPTIRXLSQSIU-AWEZNQCLSA-N 0 3 351.451 -0.218 20 0 FBADHN Cc1nccn1CCCNC(=O)C(=O)NC[C@@H](C)CN1CCOCC1 ZINC000283640084 244309922 /nfs/dbraw/zinc/30/99/22/244309922.db2.gz APYPTIRXLSQSIU-CQSZACIVSA-N 0 3 351.451 -0.218 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000283654781 244310468 /nfs/dbraw/zinc/31/04/68/244310468.db2.gz BMIUHDSFFJDGEY-HNNXBMFYSA-N 0 3 360.462 -0.027 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000283654786 244308376 /nfs/dbraw/zinc/30/83/76/244308376.db2.gz BMIUHDSFFJDGEY-OAHLLOKOSA-N 0 3 360.462 -0.027 20 0 FBADHN CN(CCCNC(=O)C(=O)NCCS(C)(=O)=O)Cc1ccccc1 ZINC000283658670 244307931 /nfs/dbraw/zinc/30/79/31/244307931.db2.gz YDCCIWSMFFUGHC-UHFFFAOYSA-N 0 3 355.460 -0.215 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000283668591 244310486 /nfs/dbraw/zinc/31/04/86/244310486.db2.gz DXVJTBHUUSCLCM-UHFFFAOYSA-N 0 3 350.423 -0.947 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000283668719 244308521 /nfs/dbraw/zinc/30/85/21/244308521.db2.gz DZRQSXZOAYQVNI-AWEZNQCLSA-N 0 3 350.467 -0.037 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000283668723 244308613 /nfs/dbraw/zinc/30/86/13/244308613.db2.gz DZRQSXZOAYQVNI-CQSZACIVSA-N 0 3 350.467 -0.037 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCc2ccnc(OC)c2)CC1 ZINC000283671631 536858443 /nfs/dbraw/zinc/85/84/43/536858443.db2.gz WTPUIQMMQLAAEA-UHFFFAOYSA-N 0 3 350.419 -0.067 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000283674936 244313240 /nfs/dbraw/zinc/31/32/40/244313240.db2.gz FKONWFYCOMYOTR-UHFFFAOYSA-N 0 3 364.450 -0.408 20 0 FBADHN COCC(=O)N1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000283683037 536766688 /nfs/dbraw/zinc/76/66/88/536766688.db2.gz XWQXMOPJEGAWBH-UHFFFAOYSA-N 0 3 353.427 -0.609 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000283687155 244314049 /nfs/dbraw/zinc/31/40/49/244314049.db2.gz YJVNGMYYUNZGQL-INIZCTEOSA-N 0 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/nfs/dbraw/zinc/78/26/71/536782671.db2.gz AQRLQMABNTUQCJ-HNNXBMFYSA-N 0 3 363.462 -0.139 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000283715828 536782489 /nfs/dbraw/zinc/78/24/89/536782489.db2.gz AQRLQMABNTUQCJ-OAHLLOKOSA-N 0 3 363.462 -0.139 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](CO)C2)ccn1 ZINC000283716951 244313368 /nfs/dbraw/zinc/31/33/68/244313368.db2.gz MUOAIPAONMHKSS-HNNXBMFYSA-N 0 3 364.446 -0.131 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](CO)C2)ccn1 ZINC000283716953 244310946 /nfs/dbraw/zinc/31/09/46/244310946.db2.gz MUOAIPAONMHKSS-OAHLLOKOSA-N 0 3 364.446 -0.131 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000283717066 536780414 /nfs/dbraw/zinc/78/04/14/536780414.db2.gz ATYOHNROWNCEHA-UHFFFAOYSA-N 0 3 350.419 -0.244 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000283719982 244313284 /nfs/dbraw/zinc/31/32/84/244313284.db2.gz KPQZMAUYEDCASV-UHFFFAOYSA-N 0 3 350.419 -0.375 20 0 FBADHN C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000283722028 244311751 /nfs/dbraw/zinc/31/17/51/244311751.db2.gz NHWKDHLXWXDUAQ-DZGCQCFKSA-N 0 3 364.446 -0.133 20 0 FBADHN C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000283722030 244313999 /nfs/dbraw/zinc/31/39/99/244313999.db2.gz NHWKDHLXWXDUAQ-HIFRSBDPSA-N 0 3 364.446 -0.133 20 0 FBADHN C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000283722031 244312426 /nfs/dbraw/zinc/31/24/26/244312426.db2.gz NHWKDHLXWXDUAQ-UKRRQHHQSA-N 0 3 364.446 -0.133 20 0 FBADHN C[C@H](O)[C@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000283722033 244312609 /nfs/dbraw/zinc/31/26/09/244312609.db2.gz NHWKDHLXWXDUAQ-ZFWWWQNUSA-N 0 3 364.446 -0.133 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000283722611 536783279 /nfs/dbraw/zinc/78/32/79/536783279.db2.gz BHSGKYCLJLUCFA-UHFFFAOYSA-N 0 3 350.419 -0.514 20 0 FBADHN CCOCCNC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000283726237 244312721 /nfs/dbraw/zinc/31/27/21/244312721.db2.gz HAOKHMUQWSJPCQ-UHFFFAOYSA-N 0 3 364.446 -0.253 20 0 FBADHN Cc1n[nH]cc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000283727300 244312094 /nfs/dbraw/zinc/31/20/94/244312094.db2.gz BVJQFESAJVFUCF-AWEZNQCLSA-N 0 3 362.434 -0.901 20 0 FBADHN Cc1n[nH]cc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000283727302 244312961 /nfs/dbraw/zinc/31/29/61/244312961.db2.gz BVJQFESAJVFUCF-CQSZACIVSA-N 0 3 362.434 -0.901 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCC2(C(N)=O)CCOCC2)n1 ZINC000283728643 244316580 /nfs/dbraw/zinc/31/65/80/244316580.db2.gz HKPIPXOZSKWONF-UHFFFAOYSA-N 0 3 353.427 -0.210 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2c[nH]nc2C)CC1 ZINC000283730509 244315793 /nfs/dbraw/zinc/31/57/93/244315793.db2.gz CEUPFXOOMAHWIV-UHFFFAOYSA-N 0 3 364.450 -0.653 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000283732934 536783084 /nfs/dbraw/zinc/78/30/84/536783084.db2.gz CJUBNENUQAOOFK-UHFFFAOYSA-N 0 3 354.455 -0.266 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000283739570 244317031 /nfs/dbraw/zinc/31/70/31/244317031.db2.gz MSESUXHFTDAHCR-UHFFFAOYSA-N 0 3 361.446 -0.176 20 0 FBADHN CCOC(=O)C1(O)CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000283745017 244314755 /nfs/dbraw/zinc/31/47/55/244314755.db2.gz JTSKZAALNFGBGY-UHFFFAOYSA-N 0 3 368.438 -0.010 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000283753345 244315828 /nfs/dbraw/zinc/31/58/28/244315828.db2.gz OVUXNTGYVFJOPW-UHFFFAOYSA-N 0 3 363.462 -0.008 20 0 FBADHN CC(C)N(CCOCCO)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000283755644 244315350 /nfs/dbraw/zinc/31/53/50/244315350.db2.gz LUTYVIHQOZWABQ-UHFFFAOYSA-N 0 3 353.423 -0.847 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000283757697 536499703 /nfs/dbraw/zinc/49/97/03/536499703.db2.gz APXMSFPMLJWMOI-AWEZNQCLSA-N 0 3 351.451 -0.002 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000283757699 536498865 /nfs/dbraw/zinc/49/88/65/536498865.db2.gz APXMSFPMLJWMOI-CQSZACIVSA-N 0 3 351.451 -0.002 20 0 FBADHN COCCOCCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000283758917 536508179 /nfs/dbraw/zinc/50/81/79/536508179.db2.gz AIIHJBHUGXTGNM-UHFFFAOYSA-N 0 3 363.458 -0.019 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)CCO1 ZINC000283764936 244316820 /nfs/dbraw/zinc/31/68/20/244316820.db2.gz SDUJWHCDRSZBMF-CYBMUJFWSA-N 0 3 350.419 -0.115 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)CCO1 ZINC000283764939 244314488 /nfs/dbraw/zinc/31/44/88/244314488.db2.gz SDUJWHCDRSZBMF-ZDUSSCGKSA-N 0 3 350.419 -0.115 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N1CCC[C@H](O)C1 ZINC000283785253 244314513 /nfs/dbraw/zinc/31/45/13/244314513.db2.gz VIMDFHMJWGRTMT-DLBZAZTESA-N 0 3 361.442 -0.147 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N1CCC[C@@H](O)C1 ZINC000283785255 244314348 /nfs/dbraw/zinc/31/43/48/244314348.db2.gz VIMDFHMJWGRTMT-IAGOWNOFSA-N 0 3 361.442 -0.147 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N1CCC[C@H](O)C1 ZINC000283785257 244316706 /nfs/dbraw/zinc/31/67/06/244316706.db2.gz VIMDFHMJWGRTMT-IRXDYDNUSA-N 0 3 361.442 -0.147 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N1CCC[C@@H](O)C1 ZINC000283785259 244317435 /nfs/dbraw/zinc/31/74/35/244317435.db2.gz VIMDFHMJWGRTMT-SJORKVTESA-N 0 3 361.442 -0.147 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](O)C2)ccn1 ZINC000283787135 244316048 /nfs/dbraw/zinc/31/60/48/244316048.db2.gz VRWKVLVKWMRGKZ-AWEZNQCLSA-N 0 3 350.419 -0.379 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](O)C2)ccn1 ZINC000283787137 244317047 /nfs/dbraw/zinc/31/70/47/244317047.db2.gz VRWKVLVKWMRGKZ-CQSZACIVSA-N 0 3 350.419 -0.379 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000283789865 244317326 /nfs/dbraw/zinc/31/73/26/244317326.db2.gz URRBTUBMAXWHLM-UHFFFAOYSA-N 0 3 363.462 -0.008 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000283789915 244314583 /nfs/dbraw/zinc/31/45/83/244314583.db2.gz USBFFVMDVJJPLQ-GJZGRUSLSA-N 0 3 351.451 -0.588 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000283791763 244319545 /nfs/dbraw/zinc/31/95/45/244319545.db2.gz UZICTGZFSJQYBS-UHFFFAOYSA-N 0 3 370.475 -0.331 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)[C@@H](C)O)CC2)n1 ZINC000283792880 244320063 /nfs/dbraw/zinc/32/00/63/244320063.db2.gz SIHNDDZXYFPPEQ-LLVKDONJSA-N 0 3 353.427 -0.875 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000283792886 244319830 /nfs/dbraw/zinc/31/98/30/244319830.db2.gz SIHNDDZXYFPPEQ-NSHDSACASA-N 0 3 353.427 -0.875 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N(C)Cc2cnn(C)c2)CCCO1 ZINC000283799540 244319470 /nfs/dbraw/zinc/31/94/70/244319470.db2.gz WVSKHLOGYXLHEI-AWEZNQCLSA-N 0 3 351.451 -0.004 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N(C)Cc2cnn(C)c2)CCCO1 ZINC000283799541 244320363 /nfs/dbraw/zinc/32/03/63/244320363.db2.gz WVSKHLOGYXLHEI-CQSZACIVSA-N 0 3 351.451 -0.004 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000283800023 244320926 /nfs/dbraw/zinc/32/09/26/244320926.db2.gz 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CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccn1C ZINC000283851215 244321104 /nfs/dbraw/zinc/32/11/04/244321104.db2.gz CSKMJAATFZHUOY-OAHLLOKOSA-N 0 3 363.462 -0.300 20 0 FBADHN O=C(NC1CCN(C2CC2)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000283855326 244323059 /nfs/dbraw/zinc/32/30/59/244323059.db2.gz GTWYMBHLEQLAFO-UHFFFAOYSA-N 0 3 358.446 -0.132 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000283865058 536779991 /nfs/dbraw/zinc/77/99/91/536779991.db2.gz BOFSNHLALZGHTF-UHFFFAOYSA-N 0 3 365.434 -0.988 20 0 FBADHN CN(C)C1(CN(C)C(=O)C(=O)NCCNC(=O)c2cccnc2)CCC1 ZINC000283872114 244323727 /nfs/dbraw/zinc/32/37/27/244323727.db2.gz BWXBNPJSNOMMBP-UHFFFAOYSA-N 0 3 361.446 -0.130 20 0 FBADHN CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000283874035 535629425 /nfs/dbraw/zinc/62/94/25/535629425.db2.gz BYWFUVDUOMKOBY-UHFFFAOYSA-N 0 3 355.460 -0.085 20 0 FBADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000283876286 244322867 /nfs/dbraw/zinc/32/28/67/244322867.db2.gz 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244327240 /nfs/dbraw/zinc/32/72/40/244327240.db2.gz KWFJISVYTGYCQY-CQSZACIVSA-N 0 3 364.450 -0.942 20 0 FBADHN CN(CCNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)C1CC1 ZINC000283908344 244325504 /nfs/dbraw/zinc/32/55/04/244325504.db2.gz DMRXSCCZTSTSNV-UHFFFAOYSA-N 0 3 374.489 -0.340 20 0 FBADHN C[C@H](O)CN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@@H](C)CO ZINC000283916143 244325627 /nfs/dbraw/zinc/32/56/27/244325627.db2.gz DLDVOCLVQBOHOV-KBPBESRZSA-N 0 3 351.447 -0.045 20 0 FBADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000283916148 244326731 /nfs/dbraw/zinc/32/67/31/244326731.db2.gz DLDVOCLVQBOHOV-KGLIPLIRSA-N 0 3 351.447 -0.045 20 0 FBADHN C[C@@H](O)CN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@@H](C)CO ZINC000283916152 244325317 /nfs/dbraw/zinc/32/53/17/244325317.db2.gz DLDVOCLVQBOHOV-UONOGXRCSA-N 0 3 351.447 -0.045 20 0 FBADHN C[C@@H](O)CN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@H](C)CO ZINC000283916155 244325390 /nfs/dbraw/zinc/32/53/90/244325390.db2.gz DLDVOCLVQBOHOV-ZIAGYGMSSA-N 0 3 351.447 -0.045 20 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/nfs/dbraw/zinc/36/73/03/536367303.db2.gz KOXFTOSPILMTOP-MRXNPFEDSA-N 0 3 373.457 -0.495 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000283952687 244329941 /nfs/dbraw/zinc/32/99/41/244329941.db2.gz FZIGPFRAYSPSRJ-UHFFFAOYSA-N 0 3 350.419 -0.562 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NCCn1ccnc1)N1CCN(C)CC1 ZINC000283958106 244327865 /nfs/dbraw/zinc/32/78/65/244327865.db2.gz NDLDDLVUSMHAQX-HNNXBMFYSA-N 0 3 350.467 -0.613 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)NCCn1ccnc1)N1CCN(C)CC1 ZINC000283958110 244328146 /nfs/dbraw/zinc/32/81/46/244328146.db2.gz NDLDDLVUSMHAQX-OAHLLOKOSA-N 0 3 350.467 -0.613 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000283968863 244332437 /nfs/dbraw/zinc/33/24/37/244332437.db2.gz IIURBASGWOFXGB-UHFFFAOYSA-N 0 3 362.478 -0.083 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCCCN(C)CCOC ZINC000283982105 244334119 /nfs/dbraw/zinc/33/41/19/244334119.db2.gz JEWRKGVTTWCVHN-UHFFFAOYSA-N 0 3 369.466 -0.308 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000283982418 536783383 /nfs/dbraw/zinc/78/33/83/536783383.db2.gz JHEFVTATAXBWTO-UHFFFAOYSA-N 0 3 374.445 -0.032 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H]1c1nncn1C ZINC000283985354 536780141 /nfs/dbraw/zinc/78/01/41/536780141.db2.gz JIQJBQVPVGGSHV-CYBMUJFWSA-N 0 3 352.439 -0.437 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H]1c1nncn1C ZINC000283985361 536780438 /nfs/dbraw/zinc/78/04/38/536780438.db2.gz JIQJBQVPVGGSHV-ZDUSSCGKSA-N 0 3 352.439 -0.437 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)NCc1ccc(NC(C)=O)nc1 ZINC000283988547 536781944 /nfs/dbraw/zinc/78/19/44/536781944.db2.gz JLVBUBQWYVNHDI-UHFFFAOYSA-N 0 3 365.434 -0.259 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccn2C)CC1 ZINC000283995958 244334018 /nfs/dbraw/zinc/33/40/18/244334018.db2.gz JUFPUFMVWDUOOR-UHFFFAOYSA-N 0 3 363.462 -0.346 20 0 FBADHN O=C(NC1CCN(C2CC2)CC1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000284013225 244336015 /nfs/dbraw/zinc/33/60/15/244336015.db2.gz OEPYHYOELTVHDF-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/33/58/12/244335812.db2.gz SDGOJEBYDNTIMZ-JKSUJKDBSA-N 0 3 364.494 -0.222 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000284044372 536782628 /nfs/dbraw/zinc/78/26/28/536782628.db2.gz LWNVHSCVHHMVEV-UHFFFAOYSA-N 0 3 351.451 -0.152 20 0 FBADHN CNC(=O)c1cccc(CNC(=O)C(=O)N(CCOC)CCN(C)C)c1 ZINC000284044562 244339468 /nfs/dbraw/zinc/33/94/68/244339468.db2.gz JURJQYLZEBBFGR-UHFFFAOYSA-N 0 3 364.446 -0.301 20 0 FBADHN CN(CCNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1)C1CC1 ZINC000284046893 244339415 /nfs/dbraw/zinc/33/94/15/244339415.db2.gz QHVXZDRQYOPQSB-UHFFFAOYSA-N 0 3 374.489 -0.340 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000284051649 536782651 /nfs/dbraw/zinc/78/26/51/536782651.db2.gz MHBISKRRNZTCHR-AWEZNQCLSA-N 0 3 351.451 -0.002 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000284051657 536783206 /nfs/dbraw/zinc/78/32/06/536783206.db2.gz MHBISKRRNZTCHR-CQSZACIVSA-N 0 3 351.451 -0.002 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000284062238 536497408 /nfs/dbraw/zinc/49/74/08/536497408.db2.gz KPBNOBJRGJHDFA-UHFFFAOYSA-N 0 3 350.419 -0.514 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccncc2)CC1 ZINC000284077348 536388836 /nfs/dbraw/zinc/38/88/36/536388836.db2.gz LLTYXWCGECDPFA-INIZCTEOSA-N 0 3 373.457 -0.495 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccncc2)CC1 ZINC000284077351 536366976 /nfs/dbraw/zinc/36/69/76/536366976.db2.gz LLTYXWCGECDPFA-MRXNPFEDSA-N 0 3 373.457 -0.495 20 0 FBADHN C[C@H](CO)N(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000284101463 244343509 /nfs/dbraw/zinc/34/35/09/244343509.db2.gz BHOZBTIVTJETHH-LLVKDONJSA-N 0 3 364.402 -0.066 20 0 FBADHN Cc1n[nH]cc1CNC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000284102795 244344901 /nfs/dbraw/zinc/34/49/01/244344901.db2.gz ONEHFDZUDKVNCO-UHFFFAOYSA-N 0 3 360.418 -0.014 20 0 FBADHN CN(C)c1ncc(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n1C ZINC000284105860 244343839 /nfs/dbraw/zinc/34/38/39/244343839.db2.gz OVPOCBVUFDBLDW-INIZCTEOSA-N 0 3 368.507 -0.344 20 0 FBADHN CN(C)c1ncc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n1C ZINC000284105865 244345577 /nfs/dbraw/zinc/34/55/77/244345577.db2.gz OVPOCBVUFDBLDW-MRXNPFEDSA-N 0 3 368.507 -0.344 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCn2cccn2)CC1 ZINC000284119793 244343977 /nfs/dbraw/zinc/34/39/77/244343977.db2.gz RFDASSZIQDTRBK-INIZCTEOSA-N 0 3 364.494 -0.221 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCn2cccn2)CC1 ZINC000284119796 535711036 /nfs/dbraw/zinc/71/10/36/535711036.db2.gz RFDASSZIQDTRBK-MRXNPFEDSA-N 0 3 364.494 -0.221 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)Cn1ccnc1)N1CCN(C)CC1 ZINC000284123375 244346047 /nfs/dbraw/zinc/34/60/47/244346047.db2.gz XNNCHZIBWJUGRI-CVEARBPZSA-N 0 3 364.494 -0.224 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1)N1CCN(C)CC1 ZINC000284123377 244342297 /nfs/dbraw/zinc/34/22/97/244342297.db2.gz XNNCHZIBWJUGRI-HOTGVXAUSA-N 0 3 364.494 -0.224 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1ccnc1)N1CCN(C)CC1 ZINC000284123379 244342560 /nfs/dbraw/zinc/34/25/60/244342560.db2.gz XNNCHZIBWJUGRI-HZPDHXFCSA-N 0 3 364.494 -0.224 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1)N1CCN(C)CC1 ZINC000284123381 244342060 /nfs/dbraw/zinc/34/20/60/244342060.db2.gz XNNCHZIBWJUGRI-JKSUJKDBSA-N 0 3 364.494 -0.224 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CCn2cccn2)CC1 ZINC000284137870 244347920 /nfs/dbraw/zinc/34/79/20/244347920.db2.gz DMPGAWFGGVUJOP-INIZCTEOSA-N 0 3 364.494 -0.269 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CCn2cccn2)CC1 ZINC000284137874 535709381 /nfs/dbraw/zinc/70/93/81/535709381.db2.gz DMPGAWFGGVUJOP-MRXNPFEDSA-N 0 3 364.494 -0.269 20 0 FBADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000284137894 244347066 /nfs/dbraw/zinc/34/70/66/244347066.db2.gz QSESZVCSOSHQBQ-INIZCTEOSA-N 0 3 373.457 -0.229 20 0 FBADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000284137899 244348292 /nfs/dbraw/zinc/34/82/92/244348292.db2.gz QSESZVCSOSHQBQ-MRXNPFEDSA-N 0 3 373.457 -0.229 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000284142077 536779371 /nfs/dbraw/zinc/77/93/71/536779371.db2.gz QDAYSNYAJTYLDQ-UHFFFAOYSA-N 0 3 364.450 -0.790 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2nccs2)CC1 ZINC000284142839 536367569 /nfs/dbraw/zinc/36/75/69/536367569.db2.gz DGFKYXPWPUTEHT-GFCCVEGCSA-N 0 3 365.459 -0.476 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2nccs2)CC1 ZINC000284142840 536388943 /nfs/dbraw/zinc/38/89/43/536388943.db2.gz DGFKYXPWPUTEHT-LBPRGKRZSA-N 0 3 365.459 -0.476 20 0 FBADHN C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000284155993 244349262 /nfs/dbraw/zinc/34/92/62/244349262.db2.gz ZHCVNZZGXOZIFT-AWEZNQCLSA-N 0 3 350.467 -0.470 20 0 FBADHN C[C@H](Cn1ccnc1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000284155995 244348087 /nfs/dbraw/zinc/34/80/87/244348087.db2.gz ZHCVNZZGXOZIFT-CQSZACIVSA-N 0 3 350.467 -0.470 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2nccs2)CC1 ZINC000284171624 244346840 /nfs/dbraw/zinc/34/68/40/244346840.db2.gz 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/nfs/dbraw/zinc/35/04/12/244350412.db2.gz SSDDBSPZYLSCJS-UHFFFAOYSA-N 0 3 353.444 -0.083 20 0 FBADHN Cc1nccn1CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000284227505 244351702 /nfs/dbraw/zinc/35/17/02/244351702.db2.gz KAPQFCQMVZZJQL-INIZCTEOSA-N 0 3 363.462 -0.121 20 0 FBADHN Cc1nccn1CCCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000284227507 244351980 /nfs/dbraw/zinc/35/19/80/244351980.db2.gz KAPQFCQMVZZJQL-MRXNPFEDSA-N 0 3 363.462 -0.121 20 0 FBADHN Cc1nccn1CCCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000284227726 244352251 /nfs/dbraw/zinc/35/22/51/244352251.db2.gz KCTOSQHCXJDDPO-UHFFFAOYSA-N 0 3 364.494 -0.160 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NCCN2CCN(C)C(C)(C)C2)nn1 ZINC000284230470 244356795 /nfs/dbraw/zinc/35/67/95/244356795.db2.gz OJZQPHRKTOHPFG-UHFFFAOYSA-N 0 3 367.454 -0.610 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000284254141 536780594 /nfs/dbraw/zinc/78/05/94/536780594.db2.gz RKNHMTMTKUUSEQ-UHFFFAOYSA-N 0 3 364.450 -0.790 20 0 FBADHN CS(=O)(=O)CCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000284254750 244354785 /nfs/dbraw/zinc/35/47/85/244354785.db2.gz LQNBOMCIZKNUEA-UHFFFAOYSA-N 0 3 367.471 -0.288 20 0 FBADHN CN(CCNC(=O)C(=O)NCc1cccnc1N1CCOCC1)C1CC1 ZINC000284257268 244356517 /nfs/dbraw/zinc/35/65/17/244356517.db2.gz QGJTVUNSHYQXNS-UHFFFAOYSA-N 0 3 361.446 -0.255 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000284262320 536781830 /nfs/dbraw/zinc/78/18/30/536781830.db2.gz NGZBHRPEANIJHJ-UHFFFAOYSA-N 0 3 350.419 -0.514 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)c1cccs1 ZINC000284265035 536123310 /nfs/dbraw/zinc/12/33/10/536123310.db2.gz GYFZRJSGYLODNP-KBPBESRZSA-N 0 3 367.519 -0.171 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)c1cccs1 ZINC000284265039 536123635 /nfs/dbraw/zinc/12/36/35/536123635.db2.gz GYFZRJSGYLODNP-KGLIPLIRSA-N 0 3 367.519 -0.171 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)c1cccs1 ZINC000284265045 244355240 /nfs/dbraw/zinc/35/52/40/244355240.db2.gz 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244359169 /nfs/dbraw/zinc/35/91/69/244359169.db2.gz MEMDQNVQQVRGJN-HNNXBMFYSA-N 0 3 364.494 -0.302 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCn2ccnc2C)CC1 ZINC000284284088 535710536 /nfs/dbraw/zinc/71/05/36/535710536.db2.gz MEMDQNVQQVRGJN-OAHLLOKOSA-N 0 3 364.494 -0.302 20 0 FBADHN COc1ncccc1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000284291773 244360703 /nfs/dbraw/zinc/36/07/03/244360703.db2.gz SSXGDJOIBGUAJD-UHFFFAOYSA-N 0 3 363.462 -0.198 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000284300884 244360218 /nfs/dbraw/zinc/36/02/18/244360218.db2.gz VBFZKKTVZSAVMO-CYBMUJFWSA-N 0 3 374.507 -0.459 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000284300887 244359544 /nfs/dbraw/zinc/35/95/44/244359544.db2.gz VBFZKKTVZSAVMO-ZDUSSCGKSA-N 0 3 374.507 -0.459 20 0 FBADHN COCCn1cc(CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)cn1 ZINC000284305147 244360940 /nfs/dbraw/zinc/36/09/40/244360940.db2.gz OWNLTHNOEITLSN-AWEZNQCLSA-N 0 3 351.451 -0.006 20 0 FBADHN 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CCN(CCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)S(C)(=O)=O ZINC000284959425 483708619 /nfs/dbraw/zinc/70/86/19/483708619.db2.gz GRERTFLMOKBJDJ-ZDUSSCGKSA-N 0 3 374.507 -0.459 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000284975829 483709380 /nfs/dbraw/zinc/70/93/80/483709380.db2.gz SDIXQFXCJULDBS-UHFFFAOYSA-N 0 3 350.398 -0.525 20 0 FBADHN CN1CCC(NC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000284989734 483709514 /nfs/dbraw/zinc/70/95/14/483709514.db2.gz SROIOQOKXDKKCV-UHFFFAOYSA-N 0 3 367.471 -0.072 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C)CC3)CC2)n1 ZINC000285001119 483710481 /nfs/dbraw/zinc/71/04/81/483710481.db2.gz TVXHJXHPJWTXLZ-UHFFFAOYSA-N 0 3 362.434 -0.656 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000285008294 483710430 /nfs/dbraw/zinc/71/04/30/483710430.db2.gz QOBNQCXFHDKAAP-UHFFFAOYSA-N 0 3 374.445 -0.032 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@](O)(C(N)=O)C2)c(OC)c1 ZINC000285011053 483710347 /nfs/dbraw/zinc/71/03/47/483710347.db2.gz 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C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000285045093 483710727 /nfs/dbraw/zinc/71/07/27/483710727.db2.gz LAQOUDPSAKLNLY-VYDXJSESSA-N 0 3 365.474 -0.134 20 0 FBADHN C[C@H](O)CN(C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@@H](C)CO ZINC000285045095 483711111 /nfs/dbraw/zinc/71/11/11/483711111.db2.gz LAQOUDPSAKLNLY-YQQAZPJKSA-N 0 3 365.474 -0.134 20 0 FBADHN C[C@H](O)CN(C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@@H](C)CO ZINC000285045099 483710972 /nfs/dbraw/zinc/71/09/72/483710972.db2.gz LAQOUDPSAKLNLY-ZOBUZTSGSA-N 0 3 365.474 -0.134 20 0 FBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000285050904 483710993 /nfs/dbraw/zinc/71/09/93/483710993.db2.gz LEZKCCHUJGPLDG-CYBMUJFWSA-N 0 3 373.413 -0.321 20 0 FBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000285050909 483710944 /nfs/dbraw/zinc/71/09/44/483710944.db2.gz LEZKCCHUJGPLDG-ZDUSSCGKSA-N 0 3 373.413 -0.321 20 0 FBADHN COc1ccc(COC[C@H](O)CN2CC[C@](O)(C(N)=O)C2)cc1OC ZINC000285053830 483711029 /nfs/dbraw/zinc/71/10/29/483711029.db2.gz OGAIHRNKCDZMIS-CXAGYDPISA-N 0 3 354.403 -0.497 20 0 FBADHN COc1ccc(COC[C@H](O)CN2CC[C@@](O)(C(N)=O)C2)cc1OC ZINC000285053838 483711041 /nfs/dbraw/zinc/71/10/41/483711041.db2.gz OGAIHRNKCDZMIS-DYVFJYSZSA-N 0 3 354.403 -0.497 20 0 FBADHN COc1ccc(COC[C@@H](O)CN2CC[C@@](O)(C(N)=O)C2)cc1OC ZINC000285053846 483711073 /nfs/dbraw/zinc/71/10/73/483711073.db2.gz OGAIHRNKCDZMIS-GUYCJALGSA-N 0 3 354.403 -0.497 20 0 FBADHN COc1ccc(COC[C@@H](O)CN2CC[C@](O)(C(N)=O)C2)cc1OC ZINC000285053855 483711147 /nfs/dbraw/zinc/71/11/47/483711147.db2.gz OGAIHRNKCDZMIS-SUMWQHHRSA-N 0 3 354.403 -0.497 20 0 FBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC3CCN(C)CC3)CC2)n1 ZINC000285054317 483710933 /nfs/dbraw/zinc/71/09/33/483710933.db2.gz VSEJAGKCOJPXOL-UHFFFAOYSA-N 0 3 360.462 -0.048 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(F)n2)CC1 ZINC000285059608 483711704 /nfs/dbraw/zinc/71/17/04/483711704.db2.gz FJKOXTHKCUFPBH-GFCCVEGCSA-N 0 3 363.393 -0.076 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(F)n2)CC1 ZINC000285059611 483711525 /nfs/dbraw/zinc/71/15/25/483711525.db2.gz FJKOXTHKCUFPBH-LBPRGKRZSA-N 0 3 363.393 -0.076 20 0 FBADHN CN(CCNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1)C1CC1 ZINC000285063298 483711730 /nfs/dbraw/zinc/71/17/30/483711730.db2.gz OUZOPBZSVOHORW-UHFFFAOYSA-N 0 3 374.489 -0.340 20 0 FBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC(CO)C3)cc2)CC1 ZINC000285071485 483711245 /nfs/dbraw/zinc/71/12/45/483711245.db2.gz UAVUWQSURNIZHH-UHFFFAOYSA-N 0 3 374.485 -0.109 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000285086584 483711744 /nfs/dbraw/zinc/71/17/44/483711744.db2.gz PPARBGSVYAUXKH-UHFFFAOYSA-N 0 3 364.446 -0.035 20 0 FBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)CCO)cc2)CC1 ZINC000285094588 483712028 /nfs/dbraw/zinc/71/20/28/483712028.db2.gz VCLFTCIZOOOEAP-UHFFFAOYSA-N 0 3 362.474 -0.109 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000285097632 483712219 /nfs/dbraw/zinc/71/22/19/483712219.db2.gz 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COCCN(C)CCNC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000285128457 483712614 /nfs/dbraw/zinc/71/26/14/483712614.db2.gz ZQWZLFGWESRCML-CZUORRHYSA-N 0 3 366.466 -0.041 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000285135061 483712623 /nfs/dbraw/zinc/71/26/23/483712623.db2.gz RUEYFZFDNBMMMC-AWEZNQCLSA-N 0 3 362.430 -0.281 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000285135068 483712477 /nfs/dbraw/zinc/71/24/77/483712477.db2.gz RUEYFZFDNBMMMC-CQSZACIVSA-N 0 3 362.430 -0.281 20 0 FBADHN NC(=O)CN(CC(N)=O)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285136748 483712875 /nfs/dbraw/zinc/71/28/75/483712875.db2.gz ANCZRJFWNPPLLP-CYBMUJFWSA-N 0 3 368.384 -0.057 20 0 FBADHN NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285136752 483712981 /nfs/dbraw/zinc/71/29/81/483712981.db2.gz ANCZRJFWNPPLLP-ZDUSSCGKSA-N 0 3 368.384 -0.057 20 0 FBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000285136822 483712985 /nfs/dbraw/zinc/71/29/85/483712985.db2.gz OKQFJGODUDQJOL-BEFAXECRSA-N 0 3 360.458 -0.001 20 0 FBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000285136825 483712633 /nfs/dbraw/zinc/71/26/33/483712633.db2.gz OKQFJGODUDQJOL-DNVCBOLYSA-N 0 3 360.458 -0.001 20 0 FBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000285136831 483712700 /nfs/dbraw/zinc/71/27/00/483712700.db2.gz OKQFJGODUDQJOL-HNAYVOBHSA-N 0 3 360.458 -0.001 20 0 FBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000285136836 483712997 /nfs/dbraw/zinc/71/29/97/483712997.db2.gz OKQFJGODUDQJOL-KXBFYZLASA-N 0 3 360.458 -0.001 20 0 FBADHN Cc1ccc(CN2CCCN(C(=O)CN3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150041 483713016 /nfs/dbraw/zinc/71/30/16/483713016.db2.gz UCIBLPSKUGQFMF-FQEVSTJZSA-N 0 3 374.485 -0.049 20 0 FBADHN Cc1ccc(CN2CCCN(C(=O)CN3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000285150048 483712809 /nfs/dbraw/zinc/71/28/09/483712809.db2.gz UCIBLPSKUGQFMF-HXUWFJFHSA-N 0 3 374.485 -0.049 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CN(CCNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1CC1 ZINC000285272363 483715450 /nfs/dbraw/zinc/71/54/50/483715450.db2.gz ZKSCBDLJARDLHI-UHFFFAOYSA-N 0 3 374.445 -0.961 20 0 FBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCn2cnnc2C1 ZINC000285291105 483716227 /nfs/dbraw/zinc/71/62/27/483716227.db2.gz VKYRGRKWRINYRT-HNNXBMFYSA-N 0 3 356.430 -0.091 20 0 FBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCn2cnnc2C1 ZINC000285291108 483716211 /nfs/dbraw/zinc/71/62/11/483716211.db2.gz VKYRGRKWRINYRT-OAHLLOKOSA-N 0 3 356.430 -0.091 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000285291438 483716245 /nfs/dbraw/zinc/71/62/45/483716245.db2.gz PRZPVXDTZWOVAY-UHFFFAOYSA-N 0 3 360.414 -0.093 20 0 FBADHN NC(=O)C(NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C(N)=O ZINC000285301344 483716326 /nfs/dbraw/zinc/71/63/26/483716326.db2.gz DDQFZRXTBXLEFU-LLVKDONJSA-N 0 3 354.357 -0.401 20 0 FBADHN NC(=O)C(NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C(N)=O ZINC000285301348 483716340 /nfs/dbraw/zinc/71/63/40/483716340.db2.gz DDQFZRXTBXLEFU-NSHDSACASA-N 0 3 354.357 -0.401 20 0 FBADHN COCCN1CCC(NC(=O)NCCn2cc(C(=O)OC)nn2)CC1 ZINC000285343342 483717156 /nfs/dbraw/zinc/71/71/56/483717156.db2.gz JIGHQCFYZAHDBS-UHFFFAOYSA-N 0 3 354.411 -0.525 20 0 FBADHN COCCN(C)CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000285374654 483717677 /nfs/dbraw/zinc/71/76/77/483717677.db2.gz ZOHIJLCTOHZIBS-KRWDZBQOSA-N 0 3 364.490 -0.030 20 0 FBADHN COCCN(C)CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000285374655 483717399 /nfs/dbraw/zinc/71/73/99/483717399.db2.gz ZOHIJLCTOHZIBS-QGZVFWFLSA-N 0 3 364.490 -0.030 20 0 FBADHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000285381390 483717440 /nfs/dbraw/zinc/71/74/40/483717440.db2.gz RRXXXVVDZPMGIP-NEPJUHHUSA-N 0 3 356.448 -0.669 20 0 FBADHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000285381394 661629252 /nfs/dbraw/zinc/62/92/52/661629252.db2.gz RRXXXVVDZPMGIP-NWDGAFQWSA-N 0 3 356.448 -0.669 20 0 FBADHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000285381399 483717357 /nfs/dbraw/zinc/71/73/57/483717357.db2.gz RRXXXVVDZPMGIP-RYUDHWBXSA-N 0 3 356.448 -0.669 20 0 FBADHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000285381403 483717909 /nfs/dbraw/zinc/71/79/09/483717909.db2.gz RRXXXVVDZPMGIP-VXGBXAGGSA-N 0 3 356.448 -0.669 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285392812 483718531 /nfs/dbraw/zinc/71/85/31/483718531.db2.gz CBNPOFUDGQPCBE-AGIUHOORSA-N 0 3 363.462 -0.204 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285392820 483718280 /nfs/dbraw/zinc/71/82/80/483718280.db2.gz CBNPOFUDGQPCBE-FRRDWIJNSA-N 0 3 363.462 -0.204 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285392824 483718177 /nfs/dbraw/zinc/71/81/77/483718177.db2.gz CBNPOFUDGQPCBE-JHJVBQTASA-N 0 3 363.462 -0.204 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285392831 483718162 /nfs/dbraw/zinc/71/81/62/483718162.db2.gz CBNPOFUDGQPCBE-UPJWGTAASA-N 0 3 363.462 -0.204 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000285427666 483718573 /nfs/dbraw/zinc/71/85/73/483718573.db2.gz YDIXLHRKKROOAE-UHFFFAOYSA-N 0 3 366.393 -0.520 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCc2nccs2)CC1(C)C ZINC000285429242 483718944 /nfs/dbraw/zinc/71/89/44/483718944.db2.gz JKNJSUNVOZRMGE-UHFFFAOYSA-N 0 3 353.492 -0.056 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NC[C@@]2(N(C)C)CCSC2)nn1 ZINC000285445247 483718902 /nfs/dbraw/zinc/71/89/02/483718902.db2.gz OPKXKNXIBNQVSW-AWEZNQCLSA-N 0 3 356.452 -0.199 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NC[C@]2(N(C)C)CCSC2)nn1 ZINC000285445250 483719078 /nfs/dbraw/zinc/71/90/78/483719078.db2.gz OPKXKNXIBNQVSW-CQSZACIVSA-N 0 3 356.452 -0.199 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)on1 ZINC000285547109 483720525 /nfs/dbraw/zinc/72/05/25/483720525.db2.gz AKIYXMKJPLJKPI-AWEZNQCLSA-N 0 3 363.418 -0.636 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)on1 ZINC000285547114 483720329 /nfs/dbraw/zinc/72/03/29/483720329.db2.gz AKIYXMKJPLJKPI-CQSZACIVSA-N 0 3 363.418 -0.636 20 0 FBADHN Cn1cc(CNCCCN2C(=O)c3ccccc3C2=O)c(=O)n(C)c1=O ZINC000285573780 483720129 /nfs/dbraw/zinc/72/01/29/483720129.db2.gz SRIWWHNPCVTMHL-UHFFFAOYSA-N 0 3 356.382 -0.140 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N(C)CCCO)c1 ZINC000285660445 483721516 /nfs/dbraw/zinc/72/15/16/483721516.db2.gz HNFHOJLWWIXYKT-UHFFFAOYSA-N 0 3 364.446 -0.565 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000285692120 483722029 /nfs/dbraw/zinc/72/20/29/483722029.db2.gz GYMOAYMRANWLBB-UHFFFAOYSA-N 0 3 362.478 -0.530 20 0 FBADHN COC(=O)c1cn(CCNC(=O)c2ccnc(OCCN(C)C)c2)nn1 ZINC000285702555 483722679 /nfs/dbraw/zinc/72/26/79/483722679.db2.gz GMCGYLGWSRTDKU-UHFFFAOYSA-N 0 3 362.390 -0.170 20 0 FBADHN COCCN(C)C(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000285724570 483722607 /nfs/dbraw/zinc/72/26/07/483722607.db2.gz NPANTJCSIADQKK-UHFFFAOYSA-N 0 3 364.446 -0.301 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000285736435 483722694 /nfs/dbraw/zinc/72/26/94/483722694.db2.gz CAKVZJLBVBBTEF-INIZCTEOSA-N 0 3 363.462 -0.121 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000285736436 483722637 /nfs/dbraw/zinc/72/26/37/483722637.db2.gz CAKVZJLBVBBTEF-MRXNPFEDSA-N 0 3 363.462 -0.121 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000285763416 483723417 /nfs/dbraw/zinc/72/34/17/483723417.db2.gz DNLQXODTHLQBJF-UHFFFAOYSA-N 0 3 363.462 -0.121 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](NC)c2cnn(C)c2)CC1 ZINC000285768853 483723094 /nfs/dbraw/zinc/72/30/94/483723094.db2.gz LPLNNNMJTXXPPV-INIZCTEOSA-N 0 3 350.467 -0.307 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](NC)c2cnn(C)c2)CC1 ZINC000285768860 483723537 /nfs/dbraw/zinc/72/35/37/483723537.db2.gz LPLNNNMJTXXPPV-MRXNPFEDSA-N 0 3 350.467 -0.307 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@@H]2CCCN2C2CCOCC2)nn1 ZINC000285771657 483723281 /nfs/dbraw/zinc/72/32/81/483723281.db2.gz KVGIXZMFRGXKOC-AWEZNQCLSA-N 0 3 351.407 -0.176 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@H]2CCCN2C2CCOCC2)nn1 ZINC000285771664 483723412 /nfs/dbraw/zinc/72/34/12/483723412.db2.gz KVGIXZMFRGXKOC-CQSZACIVSA-N 0 3 351.407 -0.176 20 0 FBADHN CCCN(CCN1CCCC1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000285777964 483723714 /nfs/dbraw/zinc/72/37/14/483723714.db2.gz DSOJJXOJGDOXIL-UHFFFAOYSA-N 0 3 351.451 -0.343 20 0 FBADHN CCN(CCO)C(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000285813750 483724668 /nfs/dbraw/zinc/72/46/68/483724668.db2.gz WZIIJBVFGWFZQC-UHFFFAOYSA-N 0 3 364.446 -0.565 20 0 FBADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)n[nH]1 ZINC000285815311 483724334 /nfs/dbraw/zinc/72/43/34/483724334.db2.gz HSLZEQVTWMRBSR-CHWSQXEVSA-N 0 3 351.451 -0.150 20 0 FBADHN Cc1cc(C[C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)n[nH]1 ZINC000285815314 483724686 /nfs/dbraw/zinc/72/46/86/483724686.db2.gz HSLZEQVTWMRBSR-OLZOCXBDSA-N 0 3 351.451 -0.150 20 0 FBADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCOCC2)n[nH]1 ZINC000285815317 483724587 /nfs/dbraw/zinc/72/45/87/483724587.db2.gz HSLZEQVTWMRBSR-QWHCGFSZSA-N 0 3 351.451 -0.150 20 0 FBADHN Cc1cc(C[C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCOCC2)n[nH]1 ZINC000285815320 483724516 /nfs/dbraw/zinc/72/45/16/483724516.db2.gz HSLZEQVTWMRBSR-STQMWFEESA-N 0 3 351.451 -0.150 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000285826828 483724421 /nfs/dbraw/zinc/72/44/21/483724421.db2.gz IKUIFRFWXNMTQX-UHFFFAOYSA-N 0 3 350.467 -0.550 20 0 FBADHN CN[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834887 483724374 /nfs/dbraw/zinc/72/43/74/483724374.db2.gz VQYOUGJIWZCFQE-CABCVRRESA-N 0 3 350.467 -0.261 20 0 FBADHN CN[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834891 483724677 /nfs/dbraw/zinc/72/46/77/483724677.db2.gz VQYOUGJIWZCFQE-GJZGRUSLSA-N 0 3 350.467 -0.261 20 0 FBADHN CN[C@@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834895 483724489 /nfs/dbraw/zinc/72/44/89/483724489.db2.gz VQYOUGJIWZCFQE-HUUCEWRRSA-N 0 3 350.467 -0.261 20 0 FBADHN CN[C@@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1cnn(C)c1 ZINC000285834900 483724311 /nfs/dbraw/zinc/72/43/11/483724311.db2.gz VQYOUGJIWZCFQE-LSDHHAIUSA-N 0 3 350.467 -0.261 20 0 FBADHN CCN(CCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000285850419 483724915 /nfs/dbraw/zinc/72/49/15/483724915.db2.gz DPVZEFFEUHOAEG-AWEZNQCLSA-N 0 3 362.434 -0.758 20 0 FBADHN CCN(CCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000285850423 483725282 /nfs/dbraw/zinc/72/52/82/483725282.db2.gz DPVZEFFEUHOAEG-CQSZACIVSA-N 0 3 362.434 -0.758 20 0 FBADHN Cc1cnn(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000285854353 483725304 /nfs/dbraw/zinc/72/53/04/483725304.db2.gz CYMBJPUELPYPSW-CYBMUJFWSA-N 0 3 355.464 -0.344 20 0 FBADHN Cc1cnn(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000285854357 483725290 /nfs/dbraw/zinc/72/52/90/483725290.db2.gz CYMBJPUELPYPSW-ZDUSSCGKSA-N 0 3 355.464 -0.344 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000285857687 483725203 /nfs/dbraw/zinc/72/52/03/483725203.db2.gz KFDHSYOCTWRFAQ-KBPBESRZSA-N 0 3 351.451 -0.077 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000285857689 483725379 /nfs/dbraw/zinc/72/53/79/483725379.db2.gz KFDHSYOCTWRFAQ-OKILXGFUSA-N 0 3 351.451 -0.077 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000285857691 483725387 /nfs/dbraw/zinc/72/53/87/483725387.db2.gz KFDHSYOCTWRFAQ-ZIAGYGMSSA-N 0 3 351.451 -0.077 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000285858664 483724953 /nfs/dbraw/zinc/72/49/53/483724953.db2.gz AYXWJMNMSAXZEA-CHWSQXEVSA-N 0 3 372.516 -0.079 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000285858669 483725355 /nfs/dbraw/zinc/72/53/55/483725355.db2.gz AYXWJMNMSAXZEA-OLZOCXBDSA-N 0 3 372.516 -0.079 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000285858675 483725270 /nfs/dbraw/zinc/72/52/70/483725270.db2.gz AYXWJMNMSAXZEA-QWHCGFSZSA-N 0 3 372.516 -0.079 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000285861116 483725343 /nfs/dbraw/zinc/72/53/43/483725343.db2.gz AYXWJMNMSAXZEA-STQMWFEESA-N 0 3 372.516 -0.079 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)C1CC1 ZINC000285869672 483725400 /nfs/dbraw/zinc/72/54/00/483725400.db2.gz FRLRUHAGSXEJOL-UHFFFAOYSA-N 0 3 373.457 -0.034 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C1CC1 ZINC000285884270 483725610 /nfs/dbraw/zinc/72/56/10/483725610.db2.gz GLQGMXYGDLLRNJ-UHFFFAOYSA-N 0 3 367.479 -0.631 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000285918026 483726893 /nfs/dbraw/zinc/72/68/93/483726893.db2.gz NYFLZIPFPIJDDW-AWEZNQCLSA-N 0 3 351.451 -0.075 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000285918030 483726617 /nfs/dbraw/zinc/72/66/17/483726617.db2.gz NYFLZIPFPIJDDW-CQSZACIVSA-N 0 3 351.451 -0.075 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000285933173 483726908 /nfs/dbraw/zinc/72/69/08/483726908.db2.gz OYTMCXHUPOHGJN-UHFFFAOYSA-N 0 3 374.445 -0.040 20 0 FBADHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285936685 483726788 /nfs/dbraw/zinc/72/67/88/483726788.db2.gz UOMYPRINQNXKCK-CHWSQXEVSA-N 0 3 374.445 -0.481 20 0 FBADHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285936688 483726271 /nfs/dbraw/zinc/72/62/71/483726271.db2.gz UOMYPRINQNXKCK-OLZOCXBDSA-N 0 3 374.445 -0.481 20 0 FBADHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285936692 483726877 /nfs/dbraw/zinc/72/68/77/483726877.db2.gz UOMYPRINQNXKCK-QWHCGFSZSA-N 0 3 374.445 -0.481 20 0 FBADHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285936698 483726991 /nfs/dbraw/zinc/72/69/91/483726991.db2.gz UOMYPRINQNXKCK-STQMWFEESA-N 0 3 374.445 -0.481 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C1CC1 ZINC000285939480 483727442 /nfs/dbraw/zinc/72/74/42/483727442.db2.gz KFYGBIHCEIZJKN-UHFFFAOYSA-N 0 3 362.434 -0.804 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C1CC1 ZINC000285942975 483727471 /nfs/dbraw/zinc/72/74/71/483727471.db2.gz KMSJRJJIXXDJCQ-UHFFFAOYSA-N 0 3 364.425 -0.135 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000285955598 483727397 /nfs/dbraw/zinc/72/73/97/483727397.db2.gz GQHKKZLNOHUVHC-AWEZNQCLSA-N 0 3 354.455 -0.400 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000285955603 483727228 /nfs/dbraw/zinc/72/72/28/483727228.db2.gz GQHKKZLNOHUVHC-CQSZACIVSA-N 0 3 354.455 -0.400 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000285973824 483728158 /nfs/dbraw/zinc/72/81/58/483728158.db2.gz RPLBBZYBAAKGJR-CYBMUJFWSA-N 0 3 351.451 -0.389 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000285973825 483728415 /nfs/dbraw/zinc/72/84/15/483728415.db2.gz RPLBBZYBAAKGJR-ZDUSSCGKSA-N 0 3 351.451 -0.389 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000285989513 483728206 /nfs/dbraw/zinc/72/82/06/483728206.db2.gz PNXNFGDQWFMIGO-UHFFFAOYSA-N 0 3 355.460 -0.013 20 0 FBADHN COCCN(C)C(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000285993162 483727969 /nfs/dbraw/zinc/72/79/69/483727969.db2.gz OXUOCVOVCDHHMR-UHFFFAOYSA-N 0 3 363.462 -0.185 20 0 FBADHN C[C@@H](CO)N(C)C(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000285993199 483728497 /nfs/dbraw/zinc/72/84/97/483728497.db2.gz OYAOZEPEGASAPZ-HNNXBMFYSA-N 0 3 363.462 -0.451 20 0 FBADHN CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1COC[C@H]1O ZINC000286002008 483729278 /nfs/dbraw/zinc/72/92/78/483729278.db2.gz OYGHKBAQPUFUCA-HUUCEWRRSA-N 0 3 371.459 -0.926 20 0 FBADHN Cc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000286013270 483729118 /nfs/dbraw/zinc/72/91/18/483729118.db2.gz UZJMCHWBCAONAV-INIZCTEOSA-N 0 3 373.457 -0.229 20 0 FBADHN Cc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000286013275 483729203 /nfs/dbraw/zinc/72/92/03/483729203.db2.gz UZJMCHWBCAONAV-MRXNPFEDSA-N 0 3 373.457 -0.229 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)CN(C)C)CC2)n1 ZINC000286015466 483729089 /nfs/dbraw/zinc/72/90/89/483729089.db2.gz FKVBBROTWLOEGV-UHFFFAOYSA-N 0 3 366.470 -0.694 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000286020252 483728917 /nfs/dbraw/zinc/72/89/17/483728917.db2.gz PPIWOJQHAHPORJ-CYBMUJFWSA-N 0 3 364.450 -0.558 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000286020255 483728975 /nfs/dbraw/zinc/72/89/75/483728975.db2.gz PPIWOJQHAHPORJ-ZDUSSCGKSA-N 0 3 364.450 -0.558 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)no2)CC1 ZINC000286021378 483729011 /nfs/dbraw/zinc/72/90/11/483729011.db2.gz RTGGBQAJMTULMK-UHFFFAOYSA-N 0 3 365.434 -0.388 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000286028744 483729325 /nfs/dbraw/zinc/72/93/25/483729325.db2.gz QFIYTCWAEGWLHB-LLVKDONJSA-N 0 3 369.495 -0.385 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000286028749 483729165 /nfs/dbraw/zinc/72/91/65/483729165.db2.gz QFIYTCWAEGWLHB-NSHDSACASA-N 0 3 369.495 -0.385 20 0 FBADHN C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000286035429 483729739 /nfs/dbraw/zinc/72/97/39/483729739.db2.gz KMSPINIZBFKGKR-KBPBESRZSA-N 0 3 352.439 -0.600 20 0 FBADHN C[C@H](Cn1cncn1)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000286035434 483730131 /nfs/dbraw/zinc/73/01/31/483730131.db2.gz KMSPINIZBFKGKR-KGLIPLIRSA-N 0 3 352.439 -0.600 20 0 FBADHN C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000286035438 483729802 /nfs/dbraw/zinc/72/98/02/483729802.db2.gz KMSPINIZBFKGKR-UONOGXRCSA-N 0 3 352.439 -0.600 20 0 FBADHN C[C@H](Cn1cncn1)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000286035442 483730017 /nfs/dbraw/zinc/73/00/17/483730017.db2.gz KMSPINIZBFKGKR-ZIAGYGMSSA-N 0 3 352.439 -0.600 20 0 FBADHN COCCNC(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000286044817 483729983 /nfs/dbraw/zinc/72/99/83/483729983.db2.gz QTZQPISMSXNNAC-INIZCTEOSA-N 0 3 373.475 -0.346 20 0 FBADHN COCCNC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000286044819 483729750 /nfs/dbraw/zinc/72/97/50/483729750.db2.gz QTZQPISMSXNNAC-MRXNPFEDSA-N 0 3 373.475 -0.346 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCC(=O)N2CCOCC2)n1 ZINC000286075944 483730711 /nfs/dbraw/zinc/73/07/11/483730711.db2.gz JKDAHDVXPAKNBZ-UHFFFAOYSA-N 0 3 353.427 -0.243 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000286076309 483730434 /nfs/dbraw/zinc/73/04/34/483730434.db2.gz YOGGMSVWNNBDGU-UHFFFAOYSA-N 0 3 363.462 -0.121 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000286079182 483730256 /nfs/dbraw/zinc/73/02/56/483730256.db2.gz UAOQYXIAFHFABK-AWEZNQCLSA-N 0 3 350.467 -0.085 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000286079185 483730522 /nfs/dbraw/zinc/73/05/22/483730522.db2.gz UAOQYXIAFHFABK-CQSZACIVSA-N 0 3 350.467 -0.085 20 0 FBADHN CNC(=O)CN1CCC(Nc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000286087931 483730543 /nfs/dbraw/zinc/73/05/43/483730543.db2.gz KEBJXICINYHKLV-UHFFFAOYSA-N 0 3 366.470 -0.282 20 0 FBADHN COCCN(C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000286109221 483731145 /nfs/dbraw/zinc/73/11/45/483731145.db2.gz SUDGHZLQHGMQAG-UHFFFAOYSA-N 0 3 354.451 -0.136 20 0 FBADHN CCN(CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)C1CC1 ZINC000286116076 483731421 /nfs/dbraw/zinc/73/14/21/483731421.db2.gz WLZAJXJMNBZFMJ-HOCLYGCPSA-N 0 3 363.462 -0.445 20 0 FBADHN C[C@@H](Cn1cncn1)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000286128443 483731758 /nfs/dbraw/zinc/73/17/58/483731758.db2.gz OVINJVPZGOZOTO-AWEZNQCLSA-N 0 3 370.457 -0.002 20 0 FBADHN C[C@H](Cn1cncn1)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000286128445 483731710 /nfs/dbraw/zinc/73/17/10/483731710.db2.gz OVINJVPZGOZOTO-CQSZACIVSA-N 0 3 370.457 -0.002 20 0 FBADHN CN(CCCO)C(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000286144710 483732166 /nfs/dbraw/zinc/73/21/66/483732166.db2.gz VBYBEDMQBBHZIJ-UHFFFAOYSA-N 0 3 363.462 -0.449 20 0 FBADHN CCN(CCO)C(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000286162206 483732497 /nfs/dbraw/zinc/73/24/97/483732497.db2.gz WAUXUKYVIONDCD-UHFFFAOYSA-N 0 3 363.462 -0.449 20 0 FBADHN CN(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286192636 483733473 /nfs/dbraw/zinc/73/34/73/483733473.db2.gz LTFSDUHICUWNKJ-FUNVUKJBSA-N 0 3 355.464 -0.218 20 0 FBADHN CN(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286192636 483733471 /nfs/dbraw/zinc/73/34/71/483733471.db2.gz LTFSDUHICUWNKJ-FUNVUKJBSA-N 0 3 355.464 -0.218 20 0 FBADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000286248912 483734209 /nfs/dbraw/zinc/73/42/09/483734209.db2.gz MLRZHVJUCYOVPY-GFCCVEGCSA-N 0 3 370.475 -0.208 20 0 FBADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000286248916 483734597 /nfs/dbraw/zinc/73/45/97/483734597.db2.gz MLRZHVJUCYOVPY-LBPRGKRZSA-N 0 3 370.475 -0.208 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCCN2CCNC(=O)C2)n1 ZINC000286249399 483734250 /nfs/dbraw/zinc/73/42/50/483734250.db2.gz PAYNBBHQMGGXGM-UHFFFAOYSA-N 0 3 352.443 -0.670 20 0 FBADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CCC(N)=O ZINC000286309989 483735218 /nfs/dbraw/zinc/73/52/18/483735218.db2.gz DXGWCIMDTXEEFR-UHFFFAOYSA-N 0 3 371.459 -0.107 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1F ZINC000286328089 483735642 /nfs/dbraw/zinc/73/56/42/483735642.db2.gz YTZHNRXMSDYKMC-CYBMUJFWSA-N 0 3 370.450 -0.147 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1F ZINC000286328093 483735453 /nfs/dbraw/zinc/73/54/53/483735453.db2.gz YTZHNRXMSDYKMC-ZDUSSCGKSA-N 0 3 370.450 -0.147 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000286349817 483735706 /nfs/dbraw/zinc/73/57/06/483735706.db2.gz IWVRNOTXUVPEGG-UHFFFAOYSA-N 0 3 364.446 -0.471 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000286372761 483736431 /nfs/dbraw/zinc/73/64/31/483736431.db2.gz MHCJDTSJYZWVAZ-CYBMUJFWSA-N 0 3 352.439 -0.946 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000286372767 483736177 /nfs/dbraw/zinc/73/61/77/483736177.db2.gz MHCJDTSJYZWVAZ-ZDUSSCGKSA-N 0 3 352.439 -0.946 20 0 FBADHN CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCC[C@H]1O ZINC000286398559 483736893 /nfs/dbraw/zinc/73/68/93/483736893.db2.gz HFOJMSYCOPLYOE-HUUCEWRRSA-N 0 3 373.461 -0.143 20 0 FBADHN CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCn2cnnc2C1 ZINC000286398619 483736944 /nfs/dbraw/zinc/73/69/44/483736944.db2.gz DKJGIIRXDRAYAH-UHFFFAOYSA-N 0 3 372.429 -0.123 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1cc(C(N)=O)no1)N1CCC(C)CC1 ZINC000286427983 483737650 /nfs/dbraw/zinc/73/76/50/483737650.db2.gz XAHJKZDZFQHBDT-LLVKDONJSA-N 0 3 351.407 -0.374 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1cc(C(N)=O)no1)N1CCC(C)CC1 ZINC000286427989 483737436 /nfs/dbraw/zinc/73/74/36/483737436.db2.gz XAHJKZDZFQHBDT-NSHDSACASA-N 0 3 351.407 -0.374 20 0 FBADHN COCCN1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1=O ZINC000286452360 483737589 /nfs/dbraw/zinc/73/75/89/483737589.db2.gz JNTHWDUIFLCZIE-UHFFFAOYSA-N 0 3 353.427 -0.609 20 0 FBADHN 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/nfs/dbraw/zinc/73/75/25/483737525.db2.gz RKJGSLBNUARQHJ-KBPBESRZSA-N 0 3 350.419 -0.741 20 0 FBADHN COC(=O)c1cn(CCNc2nc(NCCO)nc(NC(C)C)n2)nn1 ZINC000286472263 483738083 /nfs/dbraw/zinc/73/80/83/483738083.db2.gz OLZDMGUCGSATDU-UHFFFAOYSA-N 0 3 365.398 -0.414 20 0 FBADHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc(S(N)(=O)=O)cn2C)C1 ZINC000286492401 483738653 /nfs/dbraw/zinc/73/86/53/483738653.db2.gz TXMCHCBJUORVMK-STQMWFEESA-N 0 3 370.475 -0.002 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N(C)CCCn2ccnc2C)C1 ZINC000286532064 483738970 /nfs/dbraw/zinc/73/89/70/483738970.db2.gz KDZJFSPPWGTNMK-HNNXBMFYSA-N 0 3 351.451 -0.123 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N(C)CCCn2ccnc2C)C1 ZINC000286532068 483739085 /nfs/dbraw/zinc/73/90/85/483739085.db2.gz KDZJFSPPWGTNMK-OAHLLOKOSA-N 0 3 351.451 -0.123 20 0 FBADHN CO[C@H]1C[C@@H](CN2CCCC2)N(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000286553142 483739765 /nfs/dbraw/zinc/73/97/65/483739765.db2.gz XKCUDBCXZUCWAL-STQMWFEESA-N 0 3 370.475 -0.002 20 0 FBADHN 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483762456 /nfs/dbraw/zinc/76/24/56/483762456.db2.gz BBBYJFHDTQWJDZ-UHFFFAOYSA-N 0 3 369.495 -0.383 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CN(C)C)CC2)cn1C ZINC000287972560 483762464 /nfs/dbraw/zinc/76/24/64/483762464.db2.gz JBGJLRZTDRMMJK-LBPRGKRZSA-N 0 3 372.495 -0.305 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCC1 ZINC000287980219 483762192 /nfs/dbraw/zinc/76/21/92/483762192.db2.gz ZUGLIXNMRWRKID-UHFFFAOYSA-N 0 3 362.430 -0.233 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1ccc(NC(C)=O)nc1 ZINC000288008003 483762982 /nfs/dbraw/zinc/76/29/82/483762982.db2.gz BRSKUXLDJYMDAU-UHFFFAOYSA-N 0 3 365.434 -0.259 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)CN(C)C)c1 ZINC000288008443 483763040 /nfs/dbraw/zinc/76/30/40/483763040.db2.gz BVHSRFVFYCMNQQ-NSHDSACASA-N 0 3 356.448 -0.092 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)N(C)C1CC1 ZINC000288014516 483762967 /nfs/dbraw/zinc/76/29/67/483762967.db2.gz SMEFMLGITWVZHF-INWMFGNUSA-N 0 3 363.462 -0.447 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)N(C)C1CC1 ZINC000288014517 483762712 /nfs/dbraw/zinc/76/27/12/483762712.db2.gz SMEFMLGITWVZHF-NOLJZWGESA-N 0 3 363.462 -0.447 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000288024655 483763182 /nfs/dbraw/zinc/76/31/82/483763182.db2.gz CTBPHQPIFFFSGY-HNNXBMFYSA-N 0 3 363.462 -0.139 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000288024664 483763512 /nfs/dbraw/zinc/76/35/12/483763512.db2.gz CTBPHQPIFFFSGY-OAHLLOKOSA-N 0 3 363.462 -0.139 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000288035613 483764079 /nfs/dbraw/zinc/76/40/79/483764079.db2.gz DJTGLRURSDPERK-NSHDSACASA-N 0 3 356.448 -0.058 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(=O)N1CCOCC1 ZINC000288045924 483764006 /nfs/dbraw/zinc/76/40/06/483764006.db2.gz DUEMDURNVWTYSA-DZGCQCFKSA-N 0 3 366.462 -0.493 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)C(=O)N1CCOCC1 ZINC000288045927 483763698 /nfs/dbraw/zinc/76/36/98/483763698.db2.gz DUEMDURNVWTYSA-HIFRSBDPSA-N 0 3 366.462 -0.493 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)C(=O)N1CCOCC1 ZINC000288045929 483764018 /nfs/dbraw/zinc/76/40/18/483764018.db2.gz DUEMDURNVWTYSA-UKRRQHHQSA-N 0 3 366.462 -0.493 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(=O)N1CCOCC1 ZINC000288045930 483763813 /nfs/dbraw/zinc/76/38/13/483763813.db2.gz DUEMDURNVWTYSA-ZFWWWQNUSA-N 0 3 366.462 -0.493 20 0 FBADHN Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000288046589 483763990 /nfs/dbraw/zinc/76/39/90/483763990.db2.gz AGINAAUEDYLDJS-CABCVRRESA-N 0 3 360.462 -0.188 20 0 FBADHN Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000288046591 483763851 /nfs/dbraw/zinc/76/38/51/483763851.db2.gz AGINAAUEDYLDJS-GJZGRUSLSA-N 0 3 360.462 -0.188 20 0 FBADHN Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000288046594 483763925 /nfs/dbraw/zinc/76/39/25/483763925.db2.gz AGINAAUEDYLDJS-HUUCEWRRSA-N 0 3 360.462 -0.188 20 0 FBADHN Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000288046597 483763999 /nfs/dbraw/zinc/76/39/99/483763999.db2.gz AGINAAUEDYLDJS-LSDHHAIUSA-N 0 3 360.462 -0.188 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000288048185 483763807 /nfs/dbraw/zinc/76/38/07/483763807.db2.gz FDWCAOPRAHHRGK-UHFFFAOYSA-N 0 3 354.455 -0.266 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000288049455 483763941 /nfs/dbraw/zinc/76/39/41/483763941.db2.gz JCOZHYUJDJGTCH-CZUORRHYSA-N 0 3 366.466 -0.305 20 0 FBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)CN(C)C)CC2 ZINC000288050951 483763826 /nfs/dbraw/zinc/76/38/26/483763826.db2.gz FHOPJCPGPODZOK-NSHDSACASA-N 0 3 368.459 -0.450 20 0 FBADHN CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC000288054280 483763737 /nfs/dbraw/zinc/76/37/37/483763737.db2.gz XYKLNFUNUSULDA-JTQLQIEISA-N 0 3 362.438 -0.339 20 0 FBADHN CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC000288054283 483763876 /nfs/dbraw/zinc/76/38/76/483763876.db2.gz XYKLNFUNUSULDA-SNVBAGLBSA-N 0 3 362.438 -0.339 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCn1cccc1 ZINC000288059176 483764310 /nfs/dbraw/zinc/76/43/10/483764310.db2.gz SKJLFZBTDSUMMT-HNNXBMFYSA-N 0 3 363.462 -0.337 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCn1cccc1 ZINC000288059182 483764539 /nfs/dbraw/zinc/76/45/39/483764539.db2.gz SKJLFZBTDSUMMT-OAHLLOKOSA-N 0 3 363.462 -0.337 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1ncnn1-c1ccccc1 ZINC000288070466 483764699 /nfs/dbraw/zinc/76/46/99/483764699.db2.gz GIAMPJHUDPTLGR-UHFFFAOYSA-N 0 3 374.445 -0.032 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCNC(=O)C1 ZINC000288083502 483764519 /nfs/dbraw/zinc/76/45/19/483764519.db2.gz HOARYTWJGPTFMD-GDBMZVCRSA-N 0 3 358.442 -0.028 20 0 FBADHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCNC(=O)C1 ZINC000288083506 483764694 /nfs/dbraw/zinc/76/46/94/483764694.db2.gz HOARYTWJGPTFMD-GOEBONIOSA-N 0 3 358.442 -0.028 20 0 FBADHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCNC(=O)C1 ZINC000288083511 483764671 /nfs/dbraw/zinc/76/46/71/483764671.db2.gz HOARYTWJGPTFMD-HOCLYGCPSA-N 0 3 358.442 -0.028 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCNC(=O)C1 ZINC000288083515 483764594 /nfs/dbraw/zinc/76/45/94/483764594.db2.gz HOARYTWJGPTFMD-ZBFHGGJFSA-N 0 3 358.442 -0.028 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N1CCC[C@H]1CO ZINC000288084454 483764429 /nfs/dbraw/zinc/76/44/29/483764429.db2.gz IAPJMCFTCCVEFA-DLBZAZTESA-N 0 3 361.442 -0.147 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N1CCC[C@@H]1CO ZINC000288084458 483764665 /nfs/dbraw/zinc/76/46/65/483764665.db2.gz IAPJMCFTCCVEFA-IAGOWNOFSA-N 0 3 361.442 -0.147 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N1CCC[C@H]1CO ZINC000288084461 483764612 /nfs/dbraw/zinc/76/46/12/483764612.db2.gz IAPJMCFTCCVEFA-IRXDYDNUSA-N 0 3 361.442 -0.147 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N1CCC[C@@H]1CO ZINC000288084464 483764364 /nfs/dbraw/zinc/76/43/64/483764364.db2.gz IAPJMCFTCCVEFA-SJORKVTESA-N 0 3 361.442 -0.147 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CCC1 ZINC000288088141 483764845 /nfs/dbraw/zinc/76/48/45/483764845.db2.gz WFLLKYBUYGHPQY-GJZGRUSLSA-N 0 3 363.462 -0.445 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCC1 ZINC000288089854 483765076 /nfs/dbraw/zinc/76/50/76/483765076.db2.gz WIUDPTBTCHWHKS-CYBMUJFWSA-N 0 3 362.434 -0.758 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCC1 ZINC000288089858 483765065 /nfs/dbraw/zinc/76/50/65/483765065.db2.gz WIUDPTBTCHWHKS-ZDUSSCGKSA-N 0 3 362.434 -0.758 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000288114169 483765577 /nfs/dbraw/zinc/76/55/77/483765577.db2.gz JPJHPQWKTHREDW-NSHDSACASA-N 0 3 356.448 -0.259 20 0 FBADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N1CCNC(=O)C1 ZINC000288117444 483765434 /nfs/dbraw/zinc/76/54/34/483765434.db2.gz HYCFILMOCWVQGB-UHFFFAOYSA-N 0 3 374.441 -0.782 20 0 FBADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000288124208 483765511 /nfs/dbraw/zinc/76/55/11/483765511.db2.gz LZHUWJFUAWZKNE-BBRMVZONSA-N 0 3 374.441 -0.784 20 0 FBADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000288124213 483765489 /nfs/dbraw/zinc/76/54/89/483765489.db2.gz LZHUWJFUAWZKNE-CJNGLKHVSA-N 0 3 374.441 -0.784 20 0 FBADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000288124219 483765313 /nfs/dbraw/zinc/76/53/13/483765313.db2.gz LZHUWJFUAWZKNE-CZUORRHYSA-N 0 3 374.441 -0.784 20 0 FBADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000288124224 483765404 /nfs/dbraw/zinc/76/54/04/483765404.db2.gz LZHUWJFUAWZKNE-XJKSGUPXSA-N 0 3 374.441 -0.784 20 0 FBADHN CN(C)CCOc1ccccc1C(=O)NCCNS(=O)(=O)N(C)C ZINC000288127989 483765668 /nfs/dbraw/zinc/76/56/68/483765668.db2.gz DODLDOKUZVODTM-UHFFFAOYSA-N 0 3 358.464 -0.247 20 0 FBADHN CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCNC(=O)C1)C1CC1 ZINC000288133165 483765523 /nfs/dbraw/zinc/76/55/23/483765523.db2.gz KBZVHQOUCSWVEP-INIZCTEOSA-N 0 3 358.442 -0.028 20 0 FBADHN CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCNC(=O)C1)C1CC1 ZINC000288133168 483765560 /nfs/dbraw/zinc/76/55/60/483765560.db2.gz KBZVHQOUCSWVEP-MRXNPFEDSA-N 0 3 358.442 -0.028 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)N(C)C1CC1 ZINC000288145475 483766104 /nfs/dbraw/zinc/76/61/04/483766104.db2.gz YZBMUFGHBXMAHZ-AWEZNQCLSA-N 0 3 373.457 -0.035 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)N(C)C1CC1 ZINC000288145479 483766040 /nfs/dbraw/zinc/76/60/40/483766040.db2.gz YZBMUFGHBXMAHZ-CQSZACIVSA-N 0 3 373.457 -0.035 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N(CCCO)Cc1ccccn1 ZINC000288146851 483765906 /nfs/dbraw/zinc/76/59/06/483765906.db2.gz LVFJQJQMMGZNCF-UHFFFAOYSA-N 0 3 366.462 -0.123 20 0 FBADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1-n1nnnc1C ZINC000288148846 483766063 /nfs/dbraw/zinc/76/60/63/483766063.db2.gz LYSUGOURNIEYNO-JTQLQIEISA-N 0 3 361.406 -0.016 20 0 FBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c1C ZINC000288154224 483766008 /nfs/dbraw/zinc/76/60/08/483766008.db2.gz MKNOUIWZQKYETF-JTQLQIEISA-N 0 3 356.448 -0.044 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c1C ZINC000288163772 483766029 /nfs/dbraw/zinc/76/60/29/483766029.db2.gz NCRDBDGOGCUVJJ-JTQLQIEISA-N 0 3 356.448 -0.092 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000288165734 483766564 /nfs/dbraw/zinc/76/65/64/483766564.db2.gz NHGQXPYATMQAJD-UHFFFAOYSA-N 0 3 366.466 -0.847 20 0 FBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCCN(C)C3CC3)C2=O)n(C)n1 ZINC000288167651 483766459 /nfs/dbraw/zinc/76/64/59/483766459.db2.gz KSQXQMDUDBBHIM-CYBMUJFWSA-N 0 3 362.434 -0.840 20 0 FBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCN(C)C3CC3)C2=O)n(C)n1 ZINC000288167654 483766601 /nfs/dbraw/zinc/76/66/01/483766601.db2.gz KSQXQMDUDBBHIM-ZDUSSCGKSA-N 0 3 362.434 -0.840 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000288173628 483766427 /nfs/dbraw/zinc/76/64/27/483766427.db2.gz NVGDJXOHTYVJET-AAEUAGOBSA-N 0 3 360.414 -0.103 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000288173635 483766707 /nfs/dbraw/zinc/76/67/07/483766707.db2.gz NVGDJXOHTYVJET-WCQYABFASA-N 0 3 360.414 -0.103 20 0 FBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)ccc1C ZINC000288173812 483766757 /nfs/dbraw/zinc/76/67/57/483766757.db2.gz NWXGUMOEQVSJKH-NSHDSACASA-N 0 3 356.448 -0.092 20 0 FBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000288180157 483766607 /nfs/dbraw/zinc/76/66/07/483766607.db2.gz LHYIFMCJHMATLB-KBPBESRZSA-N 0 3 374.445 -0.743 20 0 FBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000288180160 483766773 /nfs/dbraw/zinc/76/67/73/483766773.db2.gz LHYIFMCJHMATLB-KGLIPLIRSA-N 0 3 374.445 -0.743 20 0 FBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000288180162 483766518 /nfs/dbraw/zinc/76/65/18/483766518.db2.gz LHYIFMCJHMATLB-UONOGXRCSA-N 0 3 374.445 -0.743 20 0 FBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000288180165 483766733 /nfs/dbraw/zinc/76/67/33/483766733.db2.gz LHYIFMCJHMATLB-ZIAGYGMSSA-N 0 3 374.445 -0.743 20 0 FBADHN COC(=O)C[C@@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)CCO1 ZINC000288189229 483766669 /nfs/dbraw/zinc/76/66/69/483766669.db2.gz BZZLIVZTKRWQLV-LLVKDONJSA-N 0 3 354.411 -0.136 20 0 FBADHN COC(=O)C[C@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)CCO1 ZINC000288189231 483766628 /nfs/dbraw/zinc/76/66/28/483766628.db2.gz BZZLIVZTKRWQLV-NSHDSACASA-N 0 3 354.411 -0.136 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000288203268 483767039 /nfs/dbraw/zinc/76/70/39/483767039.db2.gz POGBWGRAUFPEBB-UHFFFAOYSA-N 0 3 364.450 -0.790 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000288203392 483767159 /nfs/dbraw/zinc/76/71/59/483767159.db2.gz PPPUURKBSHQCMH-UHFFFAOYSA-N 0 3 364.450 -0.790 20 0 FBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCN(C)C)ccc1F ZINC000288210050 483767076 /nfs/dbraw/zinc/76/70/76/483767076.db2.gz UIWZSYGVYVOIOP-UHFFFAOYSA-N 0 3 360.411 -0.308 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000288212265 483766949 /nfs/dbraw/zinc/76/69/49/483766949.db2.gz OVCKGCOQWHAHFX-UHFFFAOYSA-N 0 3 350.467 -0.083 20 0 FBADHN Cc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000288223395 483767677 /nfs/dbraw/zinc/76/76/77/483767677.db2.gz RLMVRWRODVAJAR-CYBMUJFWSA-N 0 3 355.464 -0.344 20 0 FBADHN Cc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000288223398 483767811 /nfs/dbraw/zinc/76/78/11/483767811.db2.gz RLMVRWRODVAJAR-ZDUSSCGKSA-N 0 3 355.464 -0.344 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H]1CO ZINC000288240235 483767827 /nfs/dbraw/zinc/76/78/27/483767827.db2.gz ANNKHTJAMYCCSR-DZGCQCFKSA-N 0 3 364.446 -0.133 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[C@H]1CO ZINC000288240239 483767694 /nfs/dbraw/zinc/76/76/94/483767694.db2.gz ANNKHTJAMYCCSR-HIFRSBDPSA-N 0 3 364.446 -0.133 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H]1CO ZINC000288240243 483767555 /nfs/dbraw/zinc/76/75/55/483767555.db2.gz ANNKHTJAMYCCSR-UKRRQHHQSA-N 0 3 364.446 -0.133 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[C@H]1CO ZINC000288240250 483768274 /nfs/dbraw/zinc/76/82/74/483768274.db2.gz ANNKHTJAMYCCSR-ZFWWWQNUSA-N 0 3 364.446 -0.133 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000288247352 483768187 /nfs/dbraw/zinc/76/81/87/483768187.db2.gz SRKCQFOJYACVRW-UHFFFAOYSA-N 0 3 351.451 -0.152 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N(CCO)C1CC1 ZINC000288249619 483768095 /nfs/dbraw/zinc/76/80/95/483768095.db2.gz XSQYQRAHPNKUCK-KRWDZBQOSA-N 0 3 361.442 -0.147 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N(CCO)C1CC1 ZINC000288249624 483768029 /nfs/dbraw/zinc/76/80/29/483768029.db2.gz XSQYQRAHPNKUCK-QGZVFWFLSA-N 0 3 361.442 -0.147 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CCn2cccn2)ccn1 ZINC000288250833 483768281 /nfs/dbraw/zinc/76/82/81/483768281.db2.gz BNLKNSJGIUMEHT-UHFFFAOYSA-N 0 3 374.445 -0.007 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000288255063 483768044 /nfs/dbraw/zinc/76/80/44/483768044.db2.gz TUXHAJGZXNRPDF-UHFFFAOYSA-N 0 3 364.450 -0.790 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CC(C)(C)O)ccn1 ZINC000288256493 483768254 /nfs/dbraw/zinc/76/82/54/483768254.db2.gz CBHIUYOQJSPFTF-UHFFFAOYSA-N 0 3 352.435 -0.133 20 0 FBADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000288257400 483768269 /nfs/dbraw/zinc/76/82/69/483768269.db2.gz TWXSUIUUCZCEPO-NSHDSACASA-N 0 3 364.402 -0.406 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000288260887 483768145 /nfs/dbraw/zinc/76/81/45/483768145.db2.gz RGNNGKALAQYFQW-HOTGVXAUSA-N 0 3 365.478 -0.198 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCCN(C)CCCOC ZINC000288265040 483768048 /nfs/dbraw/zinc/76/80/48/483768048.db2.gz UKLPMFBOWZPUKQ-UHFFFAOYSA-N 0 3 369.466 -0.308 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1nncn1-c1ccccc1 ZINC000288279727 483768559 /nfs/dbraw/zinc/76/85/59/483768559.db2.gz VEMBMVUKOGVPOR-UHFFFAOYSA-N 0 3 374.445 -0.032 20 0 FBADHN CCCN(CCO)C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000288290248 483768935 /nfs/dbraw/zinc/76/89/35/483768935.db2.gz FXVBOTFVAJERAA-UHFFFAOYSA-N 0 3 352.435 -0.131 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CCOCCO)ccn1 ZINC000288298292 483768794 /nfs/dbraw/zinc/76/87/94/483768794.db2.gz GPDVDQWGGFLOAE-UHFFFAOYSA-N 0 3 368.434 -0.895 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NCCCN2CCCO[C@H](C)C2)nn1 ZINC000288301996 483768600 /nfs/dbraw/zinc/76/86/00/483768600.db2.gz DRKDTNJILZSKNM-CYBMUJFWSA-N 0 3 368.438 -0.135 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NCCCN2CCCO[C@@H](C)C2)nn1 ZINC000288302003 483768852 /nfs/dbraw/zinc/76/88/52/483768852.db2.gz DRKDTNJILZSKNM-ZDUSSCGKSA-N 0 3 368.438 -0.135 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000288311339 483769165 /nfs/dbraw/zinc/76/91/65/483769165.db2.gz UIOQATFFHROHNE-UHFFFAOYSA-N 0 3 364.450 -0.557 20 0 FBADHN CCc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1S(N)(=O)=O ZINC000288314791 483769171 /nfs/dbraw/zinc/76/91/71/483769171.db2.gz XDRUESRGZUSDNW-JTQLQIEISA-N 0 3 356.448 -0.099 20 0 FBADHN CN(C)CCOc1ccccc1C(=O)NCCOCCS(N)(=O)=O ZINC000288322614 483769455 /nfs/dbraw/zinc/76/94/55/483769455.db2.gz UUXSFDNGGDOGTC-UHFFFAOYSA-N 0 3 359.448 -0.338 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000288324072 483769112 /nfs/dbraw/zinc/76/91/12/483769112.db2.gz XSOZUFJHXLGLIE-UHFFFAOYSA-N 0 3 363.462 -0.185 20 0 FBADHN Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2=O)n1 ZINC000288342283 483770068 /nfs/dbraw/zinc/77/00/68/483770068.db2.gz AUOMZMXWYGYZDT-KBPBESRZSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2=O)n1 ZINC000288342289 483770035 /nfs/dbraw/zinc/77/00/35/483770035.db2.gz AUOMZMXWYGYZDT-KGLIPLIRSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2=O)n1 ZINC000288342293 483770004 /nfs/dbraw/zinc/77/00/04/483770004.db2.gz AUOMZMXWYGYZDT-UONOGXRCSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2=O)n1 ZINC000288342297 483770092 /nfs/dbraw/zinc/77/00/92/483770092.db2.gz AUOMZMXWYGYZDT-ZIAGYGMSSA-N 0 3 374.445 -0.662 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000288356626 483770062 /nfs/dbraw/zinc/77/00/62/483770062.db2.gz JHOVKRVMGIMCGR-UHFFFAOYSA-N 0 3 365.434 -0.767 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1c1nncn1C ZINC000288358077 483770026 /nfs/dbraw/zinc/77/00/26/483770026.db2.gz ZMIFGSCTMCURIB-CYBMUJFWSA-N 0 3 352.439 -0.437 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]1c1nncn1C ZINC000288358083 483769924 /nfs/dbraw/zinc/76/99/24/483769924.db2.gz ZMIFGSCTMCURIB-ZDUSSCGKSA-N 0 3 352.439 -0.437 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1cnn(CCOC)c1 ZINC000288364267 483770618 /nfs/dbraw/zinc/77/06/18/483770618.db2.gz ZXYTVRHYUUXBCE-UHFFFAOYSA-N 0 3 355.439 -0.770 20 0 FBADHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)C(=O)N1CCNC(=O)C1 ZINC000288415000 483770968 /nfs/dbraw/zinc/77/09/68/483770968.db2.gz NNBNYTNLLFDVSK-UHFFFAOYSA-N 0 3 374.441 -0.782 20 0 FBADHN CNC(=O)CCN(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000288444617 483771517 /nfs/dbraw/zinc/77/15/17/483771517.db2.gz FLHUEFOFLATKLW-UHFFFAOYSA-N 0 3 360.458 -0.204 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000288445349 483771650 /nfs/dbraw/zinc/77/16/50/483771650.db2.gz IAKASBWPBIDDJX-AWEZNQCLSA-N 0 3 362.434 -0.806 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000288445353 483771409 /nfs/dbraw/zinc/77/14/09/483771409.db2.gz IAKASBWPBIDDJX-CQSZACIVSA-N 0 3 362.434 -0.806 20 0 FBADHN O=C(NC1CCN(c2cccnn2)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000288464295 483772176 /nfs/dbraw/zinc/77/21/76/483772176.db2.gz ZQYXWCLIQBQPCO-HNNXBMFYSA-N 0 3 358.446 -0.132 20 0 FBADHN O=C(NC1CCN(c2cccnn2)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000288464299 483772008 /nfs/dbraw/zinc/77/20/08/483772008.db2.gz ZQYXWCLIQBQPCO-OAHLLOKOSA-N 0 3 358.446 -0.132 20 0 FBADHN Cn1cc(/C=C/C(=O)N[C@@H](CO)CN2CCCCC2)c(=O)n(C)c1=O ZINC000288464863 483772296 /nfs/dbraw/zinc/77/22/96/483772296.db2.gz KEKHLZYEYYWDDR-PSKZRQQASA-N 0 3 350.419 -0.940 20 0 FBADHN Cn1cc(/C=C/C(=O)N[C@H](CO)CN2CCCCC2)c(=O)n(C)c1=O ZINC000288464870 483772403 /nfs/dbraw/zinc/77/24/03/483772403.db2.gz KEKHLZYEYYWDDR-UZYOAWRESA-N 0 3 350.419 -0.940 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000288492509 483771997 /nfs/dbraw/zinc/77/19/97/483771997.db2.gz KCVHFGQAXZCDRB-GXTWGEPZSA-N 0 3 362.434 -0.758 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000288492512 483772113 /nfs/dbraw/zinc/77/21/13/483772113.db2.gz KCVHFGQAXZCDRB-JSGCOSHPSA-N 0 3 362.434 -0.758 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000288492517 483771927 /nfs/dbraw/zinc/77/19/27/483771927.db2.gz KCVHFGQAXZCDRB-OCCSQVGLSA-N 0 3 362.434 -0.758 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000288492521 483772152 /nfs/dbraw/zinc/77/21/52/483772152.db2.gz KCVHFGQAXZCDRB-TZMCWYRMSA-N 0 3 362.434 -0.758 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCn3cnnc3C2)Cc2ccccc2C1 ZINC000288497601 483772095 /nfs/dbraw/zinc/77/20/95/483772095.db2.gz JAMPKQMTFQKDLJ-UHFFFAOYSA-N 0 3 368.441 -0.164 20 0 FBADHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000288501590 483773066 /nfs/dbraw/zinc/77/30/66/483773066.db2.gz SEMHGOGWSDDSDL-CHWSQXEVSA-N 0 3 355.464 -0.216 20 0 FBADHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000288501600 483772679 /nfs/dbraw/zinc/77/26/79/483772679.db2.gz SEMHGOGWSDDSDL-OLZOCXBDSA-N 0 3 355.464 -0.216 20 0 FBADHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000288501610 483772956 /nfs/dbraw/zinc/77/29/56/483772956.db2.gz SEMHGOGWSDDSDL-QWHCGFSZSA-N 0 3 355.464 -0.216 20 0 FBADHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000288501620 483772719 /nfs/dbraw/zinc/77/27/19/483772719.db2.gz SEMHGOGWSDDSDL-STQMWFEESA-N 0 3 355.464 -0.216 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CC2(CO)CC2)ccn1 ZINC000288508363 483773058 /nfs/dbraw/zinc/77/30/58/483773058.db2.gz JPTNTXNPRJODJD-UHFFFAOYSA-N 0 3 364.446 -0.131 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCc3nn(C)c(=O)cc3C2)n1 ZINC000288527072 483772592 /nfs/dbraw/zinc/77/25/92/483772592.db2.gz UIONXQDSXPUABT-UHFFFAOYSA-N 0 3 360.422 -0.248 20 0 FBADHN O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000288539114 483773339 /nfs/dbraw/zinc/77/33/39/483773339.db2.gz AFYQSPWCQIGVBA-AWEZNQCLSA-N 0 3 371.441 -0.414 20 0 FBADHN O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000288539117 483773459 /nfs/dbraw/zinc/77/34/59/483773459.db2.gz AFYQSPWCQIGVBA-CQSZACIVSA-N 0 3 371.441 -0.414 20 0 FBADHN COCCN(C)CCNC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000288553153 483773395 /nfs/dbraw/zinc/77/33/95/483773395.db2.gz IZUAXWTXKMCQTN-UHFFFAOYSA-N 0 3 374.463 -0.280 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000288556285 483773297 /nfs/dbraw/zinc/77/32/97/483773297.db2.gz MUYOCGAUQGBLGD-IPYPFGDCSA-N 0 3 374.445 -0.663 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000288556289 483773421 /nfs/dbraw/zinc/77/34/21/483773421.db2.gz MUYOCGAUQGBLGD-NFAWXSAZSA-N 0 3 374.445 -0.663 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000288556292 483773288 /nfs/dbraw/zinc/77/32/88/483773288.db2.gz MUYOCGAUQGBLGD-UMVBOHGHSA-N 0 3 374.445 -0.663 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000288556296 483773558 /nfs/dbraw/zinc/77/35/58/483773558.db2.gz MUYOCGAUQGBLGD-VNHYZAJKSA-N 0 3 374.445 -0.663 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N(C)CCOCCO)Cc2ccccc2C1 ZINC000288568042 483773599 /nfs/dbraw/zinc/77/35/99/483773599.db2.gz NMOVYMDAYQLPAK-UHFFFAOYSA-N 0 3 363.458 -0.331 20 0 FBADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000288573662 483773277 /nfs/dbraw/zinc/77/32/77/483773277.db2.gz NXCGVTRAJBCRQM-CYBMUJFWSA-N 0 3 358.442 -0.451 20 0 FBADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000288573666 483773371 /nfs/dbraw/zinc/77/33/71/483773371.db2.gz NXCGVTRAJBCRQM-ZDUSSCGKSA-N 0 3 358.442 -0.451 20 0 FBADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C1=O ZINC000288592146 483773857 /nfs/dbraw/zinc/77/38/57/483773857.db2.gz NBXJBIWZHIAKJU-CYBMUJFWSA-N 0 3 362.430 -0.063 20 0 FBADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)C1=O ZINC000288592152 483774131 /nfs/dbraw/zinc/77/41/31/483774131.db2.gz NBXJBIWZHIAKJU-ZDUSSCGKSA-N 0 3 362.430 -0.063 20 0 FBADHN CNC(=O)CCN(C)C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000288611395 483774105 /nfs/dbraw/zinc/77/41/05/483774105.db2.gz LBUBWTLOTZLFJN-UHFFFAOYSA-N 0 3 365.434 -0.767 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(C)[C@H]2CCOC2)ccn1 ZINC000288617341 483774164 /nfs/dbraw/zinc/77/41/64/483774164.db2.gz LVOGICCHMSVJTE-AWEZNQCLSA-N 0 3 350.419 -0.115 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(C)[C@@H]2CCOC2)ccn1 ZINC000288617347 483773915 /nfs/dbraw/zinc/77/39/15/483773915.db2.gz LVOGICCHMSVJTE-CQSZACIVSA-N 0 3 350.419 -0.115 20 0 FBADHN Cc1ocnc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000288623058 483774523 /nfs/dbraw/zinc/77/45/23/483774523.db2.gz LNWZJEQXYJNPEW-AWEZNQCLSA-N 0 3 363.418 -0.636 20 0 FBADHN Cc1ocnc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000288623061 483774623 /nfs/dbraw/zinc/77/46/23/483774623.db2.gz LNWZJEQXYJNPEW-CQSZACIVSA-N 0 3 363.418 -0.636 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H]2CO)ccn1 ZINC000288623510 483774583 /nfs/dbraw/zinc/77/45/83/483774583.db2.gz MTBLYTUMQDHYFB-AWEZNQCLSA-N 0 3 350.419 -0.379 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H]2CO)ccn1 ZINC000288623511 483774840 /nfs/dbraw/zinc/77/48/40/483774840.db2.gz MTBLYTUMQDHYFB-CQSZACIVSA-N 0 3 350.419 -0.379 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(CCO)C2CC2)ccn1 ZINC000288624350 483774829 /nfs/dbraw/zinc/77/48/29/483774829.db2.gz MWDXKBJTOWXLGW-UHFFFAOYSA-N 0 3 350.419 -0.379 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000288635276 483774699 /nfs/dbraw/zinc/77/46/99/483774699.db2.gz REYLRCIXZADOFZ-GXTWGEPZSA-N 0 3 362.434 -0.806 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000288635279 483774708 /nfs/dbraw/zinc/77/47/08/483774708.db2.gz REYLRCIXZADOFZ-JSGCOSHPSA-N 0 3 362.434 -0.806 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000288635282 483774671 /nfs/dbraw/zinc/77/46/71/483774671.db2.gz REYLRCIXZADOFZ-OCCSQVGLSA-N 0 3 362.434 -0.806 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000288635285 483774654 /nfs/dbraw/zinc/77/46/54/483774654.db2.gz REYLRCIXZADOFZ-TZMCWYRMSA-N 0 3 362.434 -0.806 20 0 FBADHN C[C@@H](O)CCN(C)C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000288645597 483774811 /nfs/dbraw/zinc/77/48/11/483774811.db2.gz PVMILHHDGKDHJT-CYBMUJFWSA-N 0 3 352.435 -0.133 20 0 FBADHN C[C@H](O)CCN(C)C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000288645599 483774563 /nfs/dbraw/zinc/77/45/63/483774563.db2.gz PVMILHHDGKDHJT-ZDUSSCGKSA-N 0 3 352.435 -0.133 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CC[C@H](CO)C2)ccn1 ZINC000288645839 483774705 /nfs/dbraw/zinc/77/47/05/483774705.db2.gz PZCYZQXKAZTBPE-AWEZNQCLSA-N 0 3 350.419 -0.521 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@H](CO)C2)ccn1 ZINC000288645843 483774498 /nfs/dbraw/zinc/77/44/98/483774498.db2.gz PZCYZQXKAZTBPE-CQSZACIVSA-N 0 3 350.419 -0.521 20 0 FBADHN Cn1cc(CCCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000288656119 483775263 /nfs/dbraw/zinc/77/52/63/483775263.db2.gz ZZFVWBBKCBYGHA-UHFFFAOYSA-N 0 3 364.494 -0.389 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ncoc2C)CC1 ZINC000288660311 483775098 /nfs/dbraw/zinc/77/50/98/483775098.db2.gz OVMQEERKLFRMEW-UHFFFAOYSA-N 0 3 365.434 -0.388 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000288663396 483775377 /nfs/dbraw/zinc/77/53/77/483775377.db2.gz VQGXDVAOONYBLB-UHFFFAOYSA-N 0 3 360.458 -0.204 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc(NC(C)=O)nc1 ZINC000288667344 483775368 /nfs/dbraw/zinc/77/53/68/483775368.db2.gz SGOHQXCFDWGUAB-UHFFFAOYSA-N 0 3 365.434 -0.307 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)Cc2ccccc2C1 ZINC000288681145 483775372 /nfs/dbraw/zinc/77/53/72/483775372.db2.gz WTAQLXBMSRQTQN-IBGZPJMESA-N 0 3 372.469 -0.074 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)Cc2ccccc2C1 ZINC000288681149 483775246 /nfs/dbraw/zinc/77/52/46/483775246.db2.gz WTAQLXBMSRQTQN-LJQANCHMSA-N 0 3 372.469 -0.074 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cnn(CCOC)c1 ZINC000288689135 483775597 /nfs/dbraw/zinc/77/55/97/483775597.db2.gz DJPNICRNMDINDI-UHFFFAOYSA-N 0 3 355.439 -0.818 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCc2ccccc2S(N)(=O)=O)CC1=O ZINC000288695778 483775729 /nfs/dbraw/zinc/77/57/29/483775729.db2.gz UEGOHRFWPIXOBT-CYBMUJFWSA-N 0 3 368.459 -0.640 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccccc2S(N)(=O)=O)CC1=O ZINC000288695782 483775874 /nfs/dbraw/zinc/77/58/74/483775874.db2.gz UEGOHRFWPIXOBT-ZDUSSCGKSA-N 0 3 368.459 -0.640 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(CCO)CC(F)F)ccn1 ZINC000288699167 483775628 /nfs/dbraw/zinc/77/56/28/483775628.db2.gz WLFGEBJPYFJNGZ-UHFFFAOYSA-N 0 3 374.388 -0.276 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000288718399 483775612 /nfs/dbraw/zinc/77/56/12/483775612.db2.gz ZOAKCBWFYKTXRM-AWEZNQCLSA-N 0 3 369.443 -0.200 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000288718401 483775880 /nfs/dbraw/zinc/77/58/80/483775880.db2.gz ZOAKCBWFYKTXRM-CQSZACIVSA-N 0 3 369.443 -0.200 20 0 FBADHN CCN1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)CC1 ZINC000288724850 483776132 /nfs/dbraw/zinc/77/61/32/483776132.db2.gz ZFZALRRNUJXHRQ-UHFFFAOYSA-N 0 3 363.462 -0.198 20 0 FBADHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000288748917 483776089 /nfs/dbraw/zinc/77/60/89/483776089.db2.gz HQDWZPIRIHWMBO-LBPRGKRZSA-N 0 3 352.439 -0.196 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000288751697 483776235 /nfs/dbraw/zinc/77/62/35/483776235.db2.gz NIDDJAPDILGGTQ-CMPLNLGQSA-N 0 3 354.359 -0.448 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000288751698 483776406 /nfs/dbraw/zinc/77/64/06/483776406.db2.gz NIDDJAPDILGGTQ-JQWIXIFHSA-N 0 3 354.359 -0.448 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000288751699 483776899 /nfs/dbraw/zinc/77/68/99/483776899.db2.gz NIDDJAPDILGGTQ-PWSUYJOCSA-N 0 3 354.359 -0.448 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000288751700 483776831 /nfs/dbraw/zinc/77/68/31/483776831.db2.gz NIDDJAPDILGGTQ-ZYHUDNBSSA-N 0 3 354.359 -0.448 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000288768724 483776559 /nfs/dbraw/zinc/77/65/59/483776559.db2.gz PAEMWLBHOLWFRZ-CYBMUJFWSA-N 0 3 357.432 -0.330 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000288768728 483776591 /nfs/dbraw/zinc/77/65/91/483776591.db2.gz PAEMWLBHOLWFRZ-ZDUSSCGKSA-N 0 3 357.432 -0.330 20 0 FBADHN COCCOCCN(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000288777751 483776771 /nfs/dbraw/zinc/77/67/71/483776771.db2.gz IZUPKTNFCIEZHL-UHFFFAOYSA-N 0 3 353.423 -0.581 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000288784629 483776581 /nfs/dbraw/zinc/77/65/81/483776581.db2.gz QHOHANIQHQKMMM-CYBMUJFWSA-N 0 3 357.432 -0.497 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000288784634 483776863 /nfs/dbraw/zinc/77/68/63/483776863.db2.gz QHOHANIQHQKMMM-ZDUSSCGKSA-N 0 3 357.432 -0.497 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000288798878 483777492 /nfs/dbraw/zinc/77/74/92/483777492.db2.gz ZAJTXBOACGHMCK-AWEZNQCLSA-N 0 3 364.450 -0.560 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000288798880 483777384 /nfs/dbraw/zinc/77/73/84/483777384.db2.gz ZAJTXBOACGHMCK-CQSZACIVSA-N 0 3 364.450 -0.560 20 0 FBADHN CCOCCS(=O)(=O)[N-]CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288818742 483777349 /nfs/dbraw/zinc/77/73/49/483777349.db2.gz UBAJVMCBUNIEGI-VIFPVBQESA-N 0 3 362.477 -0.147 20 0 FBADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CCNC(=O)C1 ZINC000288838197 483778069 /nfs/dbraw/zinc/77/80/69/483778069.db2.gz HTXXDSRKMDWWGV-INIZCTEOSA-N 0 3 374.441 -0.648 20 0 FBADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CCNC(=O)C1 ZINC000288838199 483777934 /nfs/dbraw/zinc/77/79/34/483777934.db2.gz HTXXDSRKMDWWGV-MRXNPFEDSA-N 0 3 374.441 -0.648 20 0 FBADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000288861287 483777994 /nfs/dbraw/zinc/77/79/94/483777994.db2.gz FHXCVHRMYAFNAE-UHFFFAOYSA-N 0 3 350.423 -0.359 20 0 FBADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000288862103 483777713 /nfs/dbraw/zinc/77/77/13/483777713.db2.gz RARPESMCUMXZGC-CYBMUJFWSA-N 0 3 359.430 -0.318 20 0 FBADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000288862108 483777806 /nfs/dbraw/zinc/77/78/06/483777806.db2.gz RARPESMCUMXZGC-ZDUSSCGKSA-N 0 3 359.430 -0.318 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000288870096 483778458 /nfs/dbraw/zinc/77/84/58/483778458.db2.gz YLPVCLFEGOGTGI-QMMMGPOBSA-N 0 3 370.460 -0.390 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1F ZINC000288888708 483778427 /nfs/dbraw/zinc/77/84/27/483778427.db2.gz ASBQJVYHEDDWQQ-CYBMUJFWSA-N 0 3 370.450 -0.147 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1F ZINC000288888714 483778386 /nfs/dbraw/zinc/77/83/86/483778386.db2.gz ASBQJVYHEDDWQQ-ZDUSSCGKSA-N 0 3 370.450 -0.147 20 0 FBADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CC(CO)C1 ZINC000288918347 483778802 /nfs/dbraw/zinc/77/88/02/483778802.db2.gz NTGKHVGXIFHLOU-KRWDZBQOSA-N 0 3 361.442 -0.156 20 0 FBADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CC(CO)C1 ZINC000288918350 483778955 /nfs/dbraw/zinc/77/89/55/483778955.db2.gz NTGKHVGXIFHLOU-QGZVFWFLSA-N 0 3 361.442 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C[C@@H]1N(C)C ZINC000288997739 483780363 /nfs/dbraw/zinc/78/03/63/483780363.db2.gz WFNZBZRQKYYHPR-ILXRZTDVSA-N 0 3 362.478 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C[C@@H]1N(C)C ZINC000288997743 483780176 /nfs/dbraw/zinc/78/01/76/483780176.db2.gz WFNZBZRQKYYHPR-KFWWJZLASA-N 0 3 362.478 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C[C@H]1N(C)C ZINC000288997746 483780020 /nfs/dbraw/zinc/78/00/20/483780020.db2.gz WFNZBZRQKYYHPR-QLFBSQMISA-N 0 3 362.478 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C[C@H]1N(C)C ZINC000288997749 483780280 /nfs/dbraw/zinc/78/02/80/483780280.db2.gz WFNZBZRQKYYHPR-RBSFLKMASA-N 0 3 362.478 -0.086 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2COC[C@H]2O)cc1 ZINC000289020275 483780606 /nfs/dbraw/zinc/78/06/06/483780606.db2.gz MKYXNRIZSVHYGP-HUUCEWRRSA-N 0 3 351.403 -0.216 20 0 FBADHN CN(CCn1cccn1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000289053440 483780855 /nfs/dbraw/zinc/78/08/55/483780855.db2.gz KNCRSZWEDXOSPK-UHFFFAOYSA-N 0 3 350.467 -0.516 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1=CCN(C)CC1 ZINC000289077270 483781311 /nfs/dbraw/zinc/78/13/11/483781311.db2.gz JFCVLNJEVMUHLD-GXTWGEPZSA-N 0 3 372.491 -0.707 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1=CCN(C)CC1 ZINC000289077273 483781169 /nfs/dbraw/zinc/78/11/69/483781169.db2.gz JFCVLNJEVMUHLD-TZMCWYRMSA-N 0 3 372.491 -0.707 20 0 FBADHN CN(CCCn1ccnc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000289175773 483782230 /nfs/dbraw/zinc/78/22/30/483782230.db2.gz QRPJGQMHPMXZEL-UHFFFAOYSA-N 0 3 364.494 -0.126 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCc2cccc(CO)c2)CC1(C)C ZINC000289183793 483782244 /nfs/dbraw/zinc/78/22/44/483782244.db2.gz RCQZFLFFYJBSJB-UHFFFAOYSA-N 0 3 362.474 -0.063 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289204960 483782459 /nfs/dbraw/zinc/78/24/59/483782459.db2.gz JYJMTYDNTGFVGM-CHWSQXEVSA-N 0 3 372.516 -0.079 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289204969 483782671 /nfs/dbraw/zinc/78/26/71/483782671.db2.gz JYJMTYDNTGFVGM-OLZOCXBDSA-N 0 3 372.516 -0.079 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289204976 483782644 /nfs/dbraw/zinc/78/26/44/483782644.db2.gz JYJMTYDNTGFVGM-QWHCGFSZSA-N 0 3 372.516 -0.079 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289204983 483782252 /nfs/dbraw/zinc/78/22/52/483782252.db2.gz JYJMTYDNTGFVGM-STQMWFEESA-N 0 3 372.516 -0.079 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2ncccn2)CC1)C1=CCN(C)CC1 ZINC000289226444 483782855 /nfs/dbraw/zinc/78/28/55/483782855.db2.gz CSYPBYFYBKINAL-AWEZNQCLSA-N 0 3 358.446 -0.108 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2ncccn2)CC1)C1=CCN(C)CC1 ZINC000289226446 483782890 /nfs/dbraw/zinc/78/28/90/483782890.db2.gz CSYPBYFYBKINAL-CQSZACIVSA-N 0 3 358.446 -0.108 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1nnc(SC)s1 ZINC000289233014 483782984 /nfs/dbraw/zinc/78/29/84/483782984.db2.gz KJKXNDAXAYIRHS-UHFFFAOYSA-N 0 3 361.493 -0.087 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)o1 ZINC000289256259 483783404 /nfs/dbraw/zinc/78/34/04/483783404.db2.gz NXOHNXMSUJTGPH-GFCCVEGCSA-N 0 3 356.448 -0.384 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(C)o1 ZINC000289256264 483783378 /nfs/dbraw/zinc/78/33/78/483783378.db2.gz NXOHNXMSUJTGPH-LBPRGKRZSA-N 0 3 356.448 -0.384 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2cccnn2)CC1)C1=CCN(C)CC1 ZINC000289268604 483783398 /nfs/dbraw/zinc/78/33/98/483783398.db2.gz GDBFARPZQBDPGW-AWEZNQCLSA-N 0 3 358.446 -0.108 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2cccnn2)CC1)C1=CCN(C)CC1 ZINC000289268607 483783641 /nfs/dbraw/zinc/78/36/41/483783641.db2.gz GDBFARPZQBDPGW-CQSZACIVSA-N 0 3 358.446 -0.108 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C1=O ZINC000289291826 483784142 /nfs/dbraw/zinc/78/41/42/483784142.db2.gz GYFICHPLLKFBHT-CYBMUJFWSA-N 0 3 364.450 -0.465 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)CCN(C)C)C1=O ZINC000289291829 483784185 /nfs/dbraw/zinc/78/41/85/483784185.db2.gz GYFICHPLLKFBHT-ZDUSSCGKSA-N 0 3 364.450 -0.465 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000289324296 483783912 /nfs/dbraw/zinc/78/39/12/483783912.db2.gz GCXQIYLXXWYJHZ-UHFFFAOYSA-N 0 3 367.425 -0.307 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289349434 483785038 /nfs/dbraw/zinc/78/50/38/483785038.db2.gz XVLUBVVOPASCBH-GFCCVEGCSA-N 0 3 358.489 -0.468 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289349437 483785027 /nfs/dbraw/zinc/78/50/27/483785027.db2.gz XVLUBVVOPASCBH-LBPRGKRZSA-N 0 3 358.489 -0.468 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC000289365666 483784894 /nfs/dbraw/zinc/78/48/94/483784894.db2.gz KUKQERGTTXHUNA-UHFFFAOYSA-N 0 3 360.418 -0.123 20 0 FBADHN COc1ccc(C[C@@H](CO)CNCc2cn(C)c(=O)n(C)c2=O)cc1O ZINC000289425743 483785222 /nfs/dbraw/zinc/78/52/22/483785222.db2.gz JURAIDRYFQQJNP-CYBMUJFWSA-N 0 3 363.414 -0.261 20 0 FBADHN COc1ccc(C[C@H](CO)CNCc2cn(C)c(=O)n(C)c2=O)cc1O ZINC000289425744 483785594 /nfs/dbraw/zinc/78/55/94/483785594.db2.gz JURAIDRYFQQJNP-ZDUSSCGKSA-N 0 3 363.414 -0.261 20 0 FBADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000289433354 483786217 /nfs/dbraw/zinc/78/62/17/483786217.db2.gz TWFMKPLPHCUQLU-CYBMUJFWSA-N 0 3 359.430 -0.239 20 0 FBADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000289433357 483786267 /nfs/dbraw/zinc/78/62/67/483786267.db2.gz TWFMKPLPHCUQLU-ZDUSSCGKSA-N 0 3 359.430 -0.239 20 0 FBADHN CO[C@H](CN)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000289446044 483786475 /nfs/dbraw/zinc/78/64/75/483786475.db2.gz BDNXBBGVOCUDND-GFCCVEGCSA-N 0 3 361.395 -0.241 20 0 FBADHN CO[C@@H](CN)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000289446045 483786392 /nfs/dbraw/zinc/78/63/92/483786392.db2.gz BDNXBBGVOCUDND-LBPRGKRZSA-N 0 3 361.395 -0.241 20 0 FBADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000289463415 483786464 /nfs/dbraw/zinc/78/64/64/483786464.db2.gz CRBPEHJSWHVNHR-GFCCVEGCSA-N 0 3 363.386 -0.229 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000289463416 483786437 /nfs/dbraw/zinc/78/64/37/483786437.db2.gz CRBPEHJSWHVNHR-LBPRGKRZSA-N 0 3 363.386 -0.229 20 0 FBADHN CN(CCOCCO)C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000289471141 483786379 /nfs/dbraw/zinc/78/63/79/483786379.db2.gz XEZUZKAUSLBASU-UHFFFAOYSA-N 0 3 364.446 -0.119 20 0 FBADHN CO[C@@H](CN)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000289472451 483786432 /nfs/dbraw/zinc/78/64/32/483786432.db2.gz AZIRIVBCWAKJRK-INIZCTEOSA-N 0 3 364.446 -0.063 20 0 FBADHN CO[C@H](CN)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000289472454 483786141 /nfs/dbraw/zinc/78/61/41/483786141.db2.gz AZIRIVBCWAKJRK-MRXNPFEDSA-N 0 3 364.446 -0.063 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C1=CCN(C)CC1 ZINC000289565469 483787818 /nfs/dbraw/zinc/78/78/18/483787818.db2.gz JHRSTLDJVMQRMJ-CYBMUJFWSA-N 0 3 374.445 -0.638 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C1=CCN(C)CC1 ZINC000289565472 483787986 /nfs/dbraw/zinc/78/79/86/483787986.db2.gz JHRSTLDJVMQRMJ-ZDUSSCGKSA-N 0 3 374.445 -0.638 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000289607985 483789418 /nfs/dbraw/zinc/78/94/18/483789418.db2.gz OANFKGHFYDQRMQ-HNNXBMFYSA-N 0 3 369.443 -0.304 20 0 FBADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000289607987 483788742 /nfs/dbraw/zinc/78/87/42/483788742.db2.gz OANFKGHFYDQRMQ-OAHLLOKOSA-N 0 3 369.443 -0.304 20 0 FBADHN CO[C@H](CN)C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000289613091 483789201 /nfs/dbraw/zinc/78/92/01/483789201.db2.gz OJSKKEVWNFAKNY-GDBMZVCRSA-N 0 3 365.430 -0.050 20 0 FBADHN CO[C@H](CN)C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000289613095 483788992 /nfs/dbraw/zinc/78/89/92/483788992.db2.gz OJSKKEVWNFAKNY-GOEBONIOSA-N 0 3 365.430 -0.050 20 0 FBADHN CO[C@@H](CN)C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000289613098 483788798 /nfs/dbraw/zinc/78/87/98/483788798.db2.gz OJSKKEVWNFAKNY-HOCLYGCPSA-N 0 3 365.430 -0.050 20 0 FBADHN CO[C@@H](CN)C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000289613102 483788821 /nfs/dbraw/zinc/78/88/21/483788821.db2.gz OJSKKEVWNFAKNY-ZBFHGGJFSA-N 0 3 365.430 -0.050 20 0 FBADHN Cc1onc(N)c1S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000289638377 244374873 /nfs/dbraw/zinc/37/48/73/244374873.db2.gz ZFAQAKFNFPBUOO-UHFFFAOYSA-N 0 3 359.452 -0.356 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C1=CCN(C)CC1 ZINC000289658949 244375762 /nfs/dbraw/zinc/37/57/62/244375762.db2.gz NBLHCNPMZFOKDT-DOMZBBRYSA-N 0 3 363.462 -0.185 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C1=CCN(C)CC1 ZINC000289658952 244374969 /nfs/dbraw/zinc/37/49/69/244374969.db2.gz NBLHCNPMZFOKDT-IUODEOHRSA-N 0 3 363.462 -0.185 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C1=CCN(C)CC1 ZINC000289658954 244373842 /nfs/dbraw/zinc/37/38/42/244373842.db2.gz NBLHCNPMZFOKDT-SWLSCSKDSA-N 0 3 363.462 -0.185 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C1=CCN(C)CC1 ZINC000289658956 244375339 /nfs/dbraw/zinc/37/53/39/244375339.db2.gz NBLHCNPMZFOKDT-WFASDCNBSA-N 0 3 363.462 -0.185 20 0 FBADHN C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000289660463 244375983 /nfs/dbraw/zinc/37/59/83/244375983.db2.gz CSWUDQBVBNLMGX-NXEZZACHSA-N 0 3 359.386 -0.341 20 0 FBADHN C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000289660463 244375974 /nfs/dbraw/zinc/37/59/74/244375974.db2.gz CSWUDQBVBNLMGX-NXEZZACHSA-N 0 3 359.386 -0.341 20 0 FBADHN CCN1CCN(CCCNC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000289665419 244375142 /nfs/dbraw/zinc/37/51/42/244375142.db2.gz WHNJIAPODCKJOZ-UHFFFAOYSA-N 0 3 369.491 -0.496 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C1=CCN(C)CC1 ZINC000289668094 244374703 /nfs/dbraw/zinc/37/47/03/244374703.db2.gz NLRHTGLHEOSXOE-AWEZNQCLSA-N 0 3 360.462 -0.165 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C1=CCN(C)CC1 ZINC000289668101 244374584 /nfs/dbraw/zinc/37/45/84/244374584.db2.gz NLRHTGLHEOSXOE-CQSZACIVSA-N 0 3 360.462 -0.165 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000289705740 244374240 /nfs/dbraw/zinc/37/42/40/244374240.db2.gz FXMIMLDJXPEWPH-UHFFFAOYSA-N 0 3 354.455 -0.314 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000289725866 244379264 /nfs/dbraw/zinc/37/92/64/244379264.db2.gz GLSCTXDNHKZWPP-HNNXBMFYSA-N 0 3 351.451 -0.038 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000289725870 244379474 /nfs/dbraw/zinc/37/94/74/244379474.db2.gz GLSCTXDNHKZWPP-OAHLLOKOSA-N 0 3 351.451 -0.038 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000289749993 244379225 /nfs/dbraw/zinc/37/92/25/244379225.db2.gz QMSSEMCFMAVTLF-GXTWGEPZSA-N 0 3 372.491 -0.707 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000289749995 244377714 /nfs/dbraw/zinc/37/77/14/244377714.db2.gz QMSSEMCFMAVTLF-JSGCOSHPSA-N 0 3 372.491 -0.707 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000289749997 244377793 /nfs/dbraw/zinc/37/77/93/244377793.db2.gz QMSSEMCFMAVTLF-OCCSQVGLSA-N 0 3 372.491 -0.707 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000289749999 244378896 /nfs/dbraw/zinc/37/88/96/244378896.db2.gz QMSSEMCFMAVTLF-TZMCWYRMSA-N 0 3 372.491 -0.707 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1=CCN(C)CC1 ZINC000289762011 244377165 /nfs/dbraw/zinc/37/71/65/244377165.db2.gz QZYCHRQNNXAFLE-CYBMUJFWSA-N 0 3 365.478 -0.839 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1=CCN(C)CC1 ZINC000289762015 244378311 /nfs/dbraw/zinc/37/83/11/244378311.db2.gz QZYCHRQNNXAFLE-ZDUSSCGKSA-N 0 3 365.478 -0.839 20 0 FBADHN CO[C@H](CN)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000289780558 244379650 /nfs/dbraw/zinc/37/96/50/244379650.db2.gz YBYPXUMAHNGSCW-DZGCQCFKSA-N 0 3 371.459 -0.266 20 0 FBADHN CO[C@@H](CN)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000289780565 244379145 /nfs/dbraw/zinc/37/91/45/244379145.db2.gz YBYPXUMAHNGSCW-HIFRSBDPSA-N 0 3 371.459 -0.266 20 0 FBADHN CO[C@H](CN)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000289780571 244379084 /nfs/dbraw/zinc/37/90/84/244379084.db2.gz YBYPXUMAHNGSCW-UKRRQHHQSA-N 0 3 371.459 -0.266 20 0 FBADHN CO[C@@H](CN)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000289780575 244379165 /nfs/dbraw/zinc/37/91/65/244379165.db2.gz YBYPXUMAHNGSCW-ZFWWWQNUSA-N 0 3 371.459 -0.266 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)[C@H](CN)OC)CC2)cc1OC ZINC000289780720 244376629 /nfs/dbraw/zinc/37/66/29/244376629.db2.gz YDAITNJPVQPCOV-HNNXBMFYSA-N 0 3 351.403 -0.038 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)[C@@H](CN)OC)CC2)cc1OC ZINC000289780726 244376961 /nfs/dbraw/zinc/37/69/61/244376961.db2.gz YDAITNJPVQPCOV-OAHLLOKOSA-N 0 3 351.403 -0.038 20 0 FBADHN COCCN1CCC(NC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000289786417 244379757 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CN(CCCN1CCN(C)CC1)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000289923925 483791393 /nfs/dbraw/zinc/79/13/93/483791393.db2.gz BHUJMDYJZXQLGH-UHFFFAOYSA-N 0 3 369.491 -0.544 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC000289928157 483791374 /nfs/dbraw/zinc/79/13/74/483791374.db2.gz WGURKUDNKKHQJK-CYBMUJFWSA-N 0 3 358.402 -0.370 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC000289928161 483791206 /nfs/dbraw/zinc/79/12/06/483791206.db2.gz WGURKUDNKKHQJK-ZDUSSCGKSA-N 0 3 358.402 -0.370 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2cnccn2)CC1)C1=CCN(C)CC1 ZINC000289959984 483791307 /nfs/dbraw/zinc/79/13/07/483791307.db2.gz ZAPTZBBRGPHNHC-AWEZNQCLSA-N 0 3 358.446 -0.108 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2cnccn2)CC1)C1=CCN(C)CC1 ZINC000289959990 483791476 /nfs/dbraw/zinc/79/14/76/483791476.db2.gz ZAPTZBBRGPHNHC-CQSZACIVSA-N 0 3 358.446 -0.108 20 0 FBADHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000289993904 483791704 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CO[C@@H](CN)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000290068583 483792607 /nfs/dbraw/zinc/79/26/07/483792607.db2.gz VEIMDZGSXAJPTF-HNNXBMFYSA-N 0 3 350.419 -0.339 20 0 FBADHN CO[C@H](CN)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000290068587 483792519 /nfs/dbraw/zinc/79/25/19/483792519.db2.gz VEIMDZGSXAJPTF-OAHLLOKOSA-N 0 3 350.419 -0.339 20 0 FBADHN CO[C@@H](CN)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000290088552 483793463 /nfs/dbraw/zinc/79/34/63/483793463.db2.gz WPMDVOYCICREEU-AWEZNQCLSA-N 0 3 356.448 -0.465 20 0 FBADHN CO[C@H](CN)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000290088554 483793489 /nfs/dbraw/zinc/79/34/89/483793489.db2.gz WPMDVOYCICREEU-CQSZACIVSA-N 0 3 356.448 -0.465 20 0 FBADHN COCCCS(=O)(=O)[N-]CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000290105010 244380884 /nfs/dbraw/zinc/38/08/84/244380884.db2.gz XYJVJIYBEYXLFR-VIFPVBQESA-N 0 3 362.477 -0.147 20 0 FBADHN COC(=O)CN1CCN(c2ccc(NC(=O)[C@H](CN)OC)cc2)CC1 ZINC000290121234 244384131 /nfs/dbraw/zinc/38/41/31/244384131.db2.gz 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483809747 /nfs/dbraw/zinc/80/97/47/483809747.db2.gz UVCSSIFQXSYXAI-AWEZNQCLSA-N 0 3 352.435 -0.229 20 0 FBADHN CN1CC[C@]2(CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)C2)C1 ZINC000292504301 483810855 /nfs/dbraw/zinc/81/08/55/483810855.db2.gz HKDWYCFGXRAIQM-JZXOWHBKSA-N 0 3 361.446 -0.127 20 0 FBADHN CN1CC[C@@]2(CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)C2)C1 ZINC000292504303 483810743 /nfs/dbraw/zinc/81/07/43/483810743.db2.gz HKDWYCFGXRAIQM-LZLYRXPVSA-N 0 3 361.446 -0.127 20 0 FBADHN Cc1c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnn1C ZINC000292535490 483810937 /nfs/dbraw/zinc/81/09/37/483810937.db2.gz JCYALMORCOQOTP-CYBMUJFWSA-N 0 3 355.464 -0.344 20 0 FBADHN Cc1c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnn1C ZINC000292535495 483810952 /nfs/dbraw/zinc/81/09/52/483810952.db2.gz JCYALMORCOQOTP-ZDUSSCGKSA-N 0 3 355.464 -0.344 20 0 FBADHN CC(C)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(N)=O ZINC000292544102 483810597 /nfs/dbraw/zinc/81/05/97/483810597.db2.gz HAYSYOUFVIRLNI-UHFFFAOYSA-N 0 3 370.475 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483812120 /nfs/dbraw/zinc/81/21/20/483812120.db2.gz AQJOYXDYJXFYQI-KPZWWZAWSA-N 0 3 363.462 -0.345 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292832584 483812457 /nfs/dbraw/zinc/81/24/57/483812457.db2.gz AQJOYXDYJXFYQI-KZULUSFZSA-N 0 3 363.462 -0.345 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292832585 483812504 /nfs/dbraw/zinc/81/25/04/483812504.db2.gz AQJOYXDYJXFYQI-SGTLLEGYSA-N 0 3 363.462 -0.345 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292832586 483812231 /nfs/dbraw/zinc/81/22/31/483812231.db2.gz AQJOYXDYJXFYQI-XIKOKIGWSA-N 0 3 363.462 -0.345 20 0 FBADHN Cn1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c(=O)n(C)c1=O ZINC000292841362 483812297 /nfs/dbraw/zinc/81/22/97/483812297.db2.gz PROXCJWIRLUDHP-HNNXBMFYSA-N 0 3 356.448 -0.810 20 0 FBADHN Cn1cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c(=O)n(C)c1=O ZINC000292841374 483812442 /nfs/dbraw/zinc/81/24/42/483812442.db2.gz 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ZINC000292862824 483812890 /nfs/dbraw/zinc/81/28/90/483812890.db2.gz UBFBOUZFETZLNB-VIFPVBQESA-N 0 3 363.413 -0.159 20 0 FBADHN COC(=O)CNC(=O)CCN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292876270 483812738 /nfs/dbraw/zinc/81/27/38/483812738.db2.gz XOTGNYYKJCCBLE-UHFFFAOYSA-N 0 3 373.431 -0.676 20 0 FBADHN CNC(=O)NC(=O)CCN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292884801 483812797 /nfs/dbraw/zinc/81/27/97/483812797.db2.gz YFBCBMQEBPTVAW-UHFFFAOYSA-N 0 3 358.420 -0.510 20 0 FBADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000292917102 483812783 /nfs/dbraw/zinc/81/27/83/483812783.db2.gz BFCASJVKJKQPOM-LLVKDONJSA-N 0 3 351.407 -0.007 20 0 FBADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000292917104 483812714 /nfs/dbraw/zinc/81/27/14/483812714.db2.gz BFCASJVKJKQPOM-NSHDSACASA-N 0 3 351.407 -0.007 20 0 FBADHN CN(C)CCNC(=O)c1ccc(CNC(=O)CCn2ncn(C)c2=O)cc1 ZINC000292956861 483813249 /nfs/dbraw/zinc/81/32/49/483813249.db2.gz ABIPLGRNUOTRRR-UHFFFAOYSA-N 0 3 374.445 -0.420 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@H](O)CC2)CC1 ZINC000292982978 483813209 /nfs/dbraw/zinc/81/32/09/483813209.db2.gz BLWIQVDADYOTOB-AWEZNQCLSA-N 0 3 373.461 -0.141 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@@H](O)CC2)CC1 ZINC000292982979 483813624 /nfs/dbraw/zinc/81/36/24/483813624.db2.gz BLWIQVDADYOTOB-CQSZACIVSA-N 0 3 373.461 -0.141 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)CCn2ncn(C)c2=O)c1 ZINC000293031136 483813401 /nfs/dbraw/zinc/81/34/01/483813401.db2.gz GFJQTFVDQNQHFL-UHFFFAOYSA-N 0 3 374.445 -0.420 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCn1ncn(C)c1=O ZINC000293032033 483813689 /nfs/dbraw/zinc/81/36/89/483813689.db2.gz LHIOBWSTXUXLCO-CYBMUJFWSA-N 0 3 352.439 -0.969 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCn1ncn(C)c1=O ZINC000293032034 483813497 /nfs/dbraw/zinc/81/34/97/483813497.db2.gz LHIOBWSTXUXLCO-ZDUSSCGKSA-N 0 3 352.439 -0.969 20 0 FBADHN CC(C)[C@@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1(CO)CCC1 ZINC000293032117 483814050 /nfs/dbraw/zinc/81/40/50/483814050.db2.gz LJDRGLRJNCLGIJ-CYBMUJFWSA-N 0 3 352.435 -0.374 20 0 FBADHN CC(C)[C@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1(CO)CCC1 ZINC000293032121 483813990 /nfs/dbraw/zinc/81/39/90/483813990.db2.gz LJDRGLRJNCLGIJ-ZDUSSCGKSA-N 0 3 352.435 -0.374 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2nc(C)n(C)n2)CC1 ZINC000293037071 483814002 /nfs/dbraw/zinc/81/40/02/483814002.db2.gz JKAXEHNFYJGELV-UHFFFAOYSA-N 0 3 365.438 -0.925 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1c(C(=O)OC)cnn1C ZINC000293052969 483814235 /nfs/dbraw/zinc/81/42/35/483814235.db2.gz KYEDZWLPAPLRJA-UHFFFAOYSA-N 0 3 355.395 -0.818 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)ccc1F ZINC000293177624 483814620 /nfs/dbraw/zinc/81/46/20/483814620.db2.gz MSIINAZBAVJMOK-JTQLQIEISA-N 0 3 374.438 -0.014 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)ccc1F ZINC000293177626 483814750 /nfs/dbraw/zinc/81/47/50/483814750.db2.gz MSIINAZBAVJMOK-SNVBAGLBSA-N 0 3 374.438 -0.014 20 0 FBADHN Cn1cnn(CCC(=O)NCCCN2CCN(c3ccncc3)CC2)c1=O ZINC000293248114 483815275 /nfs/dbraw/zinc/81/52/75/483815275.db2.gz BIQQPEXVHAYBTL-UHFFFAOYSA-N 0 3 373.461 -0.305 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(OC(=O)NC)c1 ZINC000293279045 483815234 /nfs/dbraw/zinc/81/52/34/483815234.db2.gz CSQLWZBGIQDFIG-UHFFFAOYSA-N 0 3 352.391 -0.226 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293299582 483815526 /nfs/dbraw/zinc/81/55/26/483815526.db2.gz HTPKCJYWDSSESK-PSASIEDQSA-N 0 3 357.208 -0.078 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293299585 483815513 /nfs/dbraw/zinc/81/55/13/483815513.db2.gz HTPKCJYWDSSESK-SCZZXKLOSA-N 0 3 357.208 -0.078 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293299589 483815421 /nfs/dbraw/zinc/81/54/21/483815421.db2.gz HTPKCJYWDSSESK-WCBMZHEXSA-N 0 3 357.208 -0.078 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293299592 483815348 /nfs/dbraw/zinc/81/53/48/483815348.db2.gz HTPKCJYWDSSESK-WPRPVWTQSA-N 0 3 357.208 -0.078 20 0 FBADHN Cn1cnn(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1=O ZINC000293317367 483815287 /nfs/dbraw/zinc/81/52/87/483815287.db2.gz FIBPYFIKTJMOJE-DLBZAZTESA-N 0 3 373.457 -0.029 20 0 FBADHN Cn1cnn(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1=O ZINC000293317371 483815452 /nfs/dbraw/zinc/81/54/52/483815452.db2.gz FIBPYFIKTJMOJE-IAGOWNOFSA-N 0 3 373.457 -0.029 20 0 FBADHN Cn1cnn(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1=O ZINC000293317375 244439140 /nfs/dbraw/zinc/43/91/40/244439140.db2.gz FIBPYFIKTJMOJE-IRXDYDNUSA-N 0 3 373.457 -0.029 20 0 FBADHN Cn1cnn(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1=O ZINC000293317379 483815509 /nfs/dbraw/zinc/81/55/09/483815509.db2.gz FIBPYFIKTJMOJE-SJORKVTESA-N 0 3 373.457 -0.029 20 0 FBADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@@H](O)Cc1ccccc1 ZINC000293320140 483815427 /nfs/dbraw/zinc/81/54/27/483815427.db2.gz LZZUNFCDYVJQNP-HNNXBMFYSA-N 0 3 371.441 -0.031 20 0 FBADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@H](O)Cc1ccccc1 ZINC000293320145 483815198 /nfs/dbraw/zinc/81/51/98/483815198.db2.gz LZZUNFCDYVJQNP-OAHLLOKOSA-N 0 3 371.441 -0.031 20 0 FBADHN C[N@@H+](CCCOC(=O)N=C(N)[O-])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000293343853 483815385 /nfs/dbraw/zinc/81/53/85/483815385.db2.gz NHMMDPQBBFMFOP-UHFFFAOYSA-N 0 3 374.419 -0.160 20 0 FBADHN C[N@H+](CCCOC(=O)N=C(N)[O-])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000293343853 483815382 /nfs/dbraw/zinc/81/53/82/483815382.db2.gz NHMMDPQBBFMFOP-UHFFFAOYSA-N 0 3 374.419 -0.160 20 0 FBADHN C[N@@H+](CCCOC([O-])=NC(N)=O)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000293343853 483815379 /nfs/dbraw/zinc/81/53/79/483815379.db2.gz NHMMDPQBBFMFOP-UHFFFAOYSA-N 0 3 374.419 -0.160 20 0 FBADHN C[N@H+](CCCOC([O-])=NC(N)=O)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000293343853 483815376 /nfs/dbraw/zinc/81/53/76/483815376.db2.gz NHMMDPQBBFMFOP-UHFFFAOYSA-N 0 3 374.419 -0.160 20 0 FBADHN CCNC(=O)[C@@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C ZINC000293378239 483815806 /nfs/dbraw/zinc/81/58/06/483815806.db2.gz VUOPLFBWIUKQFQ-NSHDSACASA-N 0 3 350.423 -0.816 20 0 FBADHN CC[C@H](O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000293432952 483815885 /nfs/dbraw/zinc/81/58/85/483815885.db2.gz NWALRMYUBCRVJK-LBPRGKRZSA-N 0 3 364.402 -0.018 20 0 FBADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCN1C(=O)CNC1=O ZINC000293475229 483816644 /nfs/dbraw/zinc/81/66/44/483816644.db2.gz XQSLJTDFFAKZHW-UHFFFAOYSA-N 0 3 356.404 -0.804 20 0 FBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 ZINC000293497364 483816517 /nfs/dbraw/zinc/81/65/17/483816517.db2.gz RODPCXTYRJENGZ-UHFFFAOYSA-N 0 3 357.480 -0.097 20 0 FBADHN COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)OC ZINC000293531319 483816578 /nfs/dbraw/zinc/81/65/78/483816578.db2.gz YPELJORFGOFYCZ-AWEZNQCLSA-N 0 3 367.402 -0.130 20 0 FBADHN COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)OC ZINC000293531321 483816732 /nfs/dbraw/zinc/81/67/32/483816732.db2.gz YPELJORFGOFYCZ-CQSZACIVSA-N 0 3 367.402 -0.130 20 0 FBADHN Cn1cnn(CCC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1=O ZINC000293533583 483816531 /nfs/dbraw/zinc/81/65/31/483816531.db2.gz RIOFFFRIANPKKO-INIZCTEOSA-N 0 3 359.430 -0.145 20 0 FBADHN Cn1cnn(CCC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1=O ZINC000293533584 483816692 /nfs/dbraw/zinc/81/66/92/483816692.db2.gz RIOFFFRIANPKKO-MRXNPFEDSA-N 0 3 359.430 -0.145 20 0 FBADHN O=C(N[C@H](CO)CN1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000293535155 483816633 /nfs/dbraw/zinc/81/66/33/483816633.db2.gz FHLUMRZGFYXUBD-AWEZNQCLSA-N 0 3 368.459 -0.553 20 0 FBADHN O=C(N[C@@H](CO)CN1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000293535156 483816409 /nfs/dbraw/zinc/81/64/09/483816409.db2.gz FHLUMRZGFYXUBD-CQSZACIVSA-N 0 3 368.459 -0.553 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)CCn2ncn(C)c2=O)CC1 ZINC000293594412 483816839 /nfs/dbraw/zinc/81/68/39/483816839.db2.gz URDJCDLVEJKRBG-UHFFFAOYSA-N 0 3 353.423 -0.637 20 0 FBADHN CN1CC[C@@]2(CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)C1 ZINC000293603051 483817069 /nfs/dbraw/zinc/81/70/69/483817069.db2.gz CCBWNTDJOANKBA-GOSISDBHSA-N 0 3 357.414 -0.200 20 0 FBADHN CN1CC[C@]2(CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)C1 ZINC000293603060 483817000 /nfs/dbraw/zinc/81/70/00/483817000.db2.gz CCBWNTDJOANKBA-SFHVURJKSA-N 0 3 357.414 -0.200 20 0 FBADHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000293635981 483817086 /nfs/dbraw/zinc/81/70/86/483817086.db2.gz HIMJKDXZDKREPF-ZDUSSCGKSA-N 0 3 360.414 -0.055 20 0 FBADHN C[C@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CCN(C2CCC2)C1 ZINC000293719999 483817371 /nfs/dbraw/zinc/81/73/71/483817371.db2.gz PKPINIKKCFMEAN-GFCCVEGCSA-N 0 3 355.464 -0.137 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CCN(C2CCC2)C1 ZINC000293720002 483817591 /nfs/dbraw/zinc/81/75/91/483817591.db2.gz PKPINIKKCFMEAN-LBPRGKRZSA-N 0 3 355.464 -0.137 20 0 FBADHN Cn1cnn(CCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1=O ZINC000293728353 483817863 /nfs/dbraw/zinc/81/78/63/483817863.db2.gz OHIDQALYPQQRFB-MRXNPFEDSA-N 0 3 359.430 -0.493 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)[C@H]2C1 ZINC000293771637 483817893 /nfs/dbraw/zinc/81/78/93/483817893.db2.gz AVHSQSMXBNKQRV-DLBZAZTESA-N 0 3 373.457 -0.047 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 ZINC000293856279 483818435 /nfs/dbraw/zinc/81/84/35/483818435.db2.gz JEFLMRAJKOVKMA-ICWYTKJFSA-N 0 3 362.430 -0.581 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCCC2N=NC(=S)N2C)CC1=O ZINC000293876549 483818426 /nfs/dbraw/zinc/81/84/26/483818426.db2.gz FNCPWKMLKMBFRG-LLVKDONJSA-N 0 3 354.480 -0.437 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCCC2N=NC(=S)N2C)CC1=O ZINC000293876550 483818527 /nfs/dbraw/zinc/81/85/27/483818527.db2.gz FNCPWKMLKMBFRG-NSHDSACASA-N 0 3 354.480 -0.437 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293878975 483818682 /nfs/dbraw/zinc/81/86/82/483818682.db2.gz FPJIVYBJDOFACD-HNNXBMFYSA-N 0 3 355.464 -0.357 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293878975 483818680 /nfs/dbraw/zinc/81/86/80/483818680.db2.gz FPJIVYBJDOFACD-HNNXBMFYSA-N 0 3 355.464 -0.357 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293878977 483818740 /nfs/dbraw/zinc/81/87/40/483818740.db2.gz FPJIVYBJDOFACD-OAHLLOKOSA-N 0 3 355.464 -0.357 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293878977 483818737 /nfs/dbraw/zinc/81/87/37/483818737.db2.gz FPJIVYBJDOFACD-OAHLLOKOSA-N 0 3 355.464 -0.357 20 0 FBADHN CN(C)CCn1nccc1NC(=O)CSCC(=O)N1CCOCC1 ZINC000293914364 483818507 /nfs/dbraw/zinc/81/85/07/483818507.db2.gz AQOGXYXQNLUTMJ-UHFFFAOYSA-N 0 3 355.464 -0.025 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3cn(C)cn3)[C@H]2C1 ZINC000293972803 483819216 /nfs/dbraw/zinc/81/92/16/483819216.db2.gz UXDSYVHJSWHSCJ-QWHCGFSZSA-N 0 3 371.463 -0.980 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)NC)nc3)[C@H]2C1 ZINC000293992281 483819118 /nfs/dbraw/zinc/81/91/18/483819118.db2.gz WMTXOGCVZMJPNQ-UONOGXRCSA-N 0 3 368.459 -0.075 20 0 FBADHN CN(C)S(=O)(=O)CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000293996863 483819022 /nfs/dbraw/zinc/81/90/22/483819022.db2.gz CVQIOMZTZHESGR-MRXNPFEDSA-N 0 3 369.487 -0.197 20 0 FBADHN CN(C)CCn1nccc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000294009656 483819624 /nfs/dbraw/zinc/81/96/24/483819624.db2.gz INQPNCHZTQOKRB-UHFFFAOYSA-N 0 3 355.424 -0.905 20 0 FBADHN CN(C)CCn1nccc1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000294022283 483819381 /nfs/dbraw/zinc/81/93/81/483819381.db2.gz JMFQCNQWDWRKPQ-UONOGXRCSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1nccc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000294080467 483819487 /nfs/dbraw/zinc/81/94/87/483819487.db2.gz NGYSRNPWKLDMFR-UHFFFAOYSA-N 0 3 371.401 -0.357 20 0 FBADHN CN(C)CCn1nccc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000294094795 483819803 /nfs/dbraw/zinc/81/98/03/483819803.db2.gz OBEQJDAPVFIKCS-UHFFFAOYSA-N 0 3 371.401 -0.357 20 0 FBADHN CN(C)[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccccc1 ZINC000294115463 483820090 /nfs/dbraw/zinc/82/00/90/483820090.db2.gz DQFLSVQESRYPKU-AWEZNQCLSA-N 0 3 357.480 -0.016 20 0 FBADHN CN(C)[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccccc1 ZINC000294115467 483819948 /nfs/dbraw/zinc/81/99/48/483819948.db2.gz DQFLSVQESRYPKU-CQSZACIVSA-N 0 3 357.480 -0.016 20 0 FBADHN CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000294126162 483820107 /nfs/dbraw/zinc/82/01/07/483820107.db2.gz KRBBESUOASGLFW-SJORKVTESA-N 0 3 363.458 -0.345 20 0 FBADHN O=C(CN1CCCS1(=O)=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000294149295 483820428 /nfs/dbraw/zinc/82/04/28/483820428.db2.gz LRVNIDICBFCGAQ-MRXNPFEDSA-N 0 3 367.471 -0.443 20 0 FBADHN CN(CCNC(=O)NCCOCCS(N)(=O)=O)Cc1ccccc1 ZINC000294152645 483820360 /nfs/dbraw/zinc/82/03/60/483820360.db2.gz HOHCLVPKMJVOKB-UHFFFAOYSA-N 0 3 358.464 -0.277 20 0 FBADHN CN(C)CCn1nccc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000294153331 483820565 /nfs/dbraw/zinc/82/05/65/483820565.db2.gz RQFIUSUWAIKPRW-UHFFFAOYSA-N 0 3 364.431 -0.119 20 0 FBADHN CN(C)CCn1nccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000294162431 535937762 /nfs/dbraw/zinc/93/77/62/535937762.db2.gz IHBIPLOUVQGADO-GFCCVEGCSA-N 0 3 358.468 -0.010 20 0 FBADHN CN(C)CCn1nccc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000294162436 483820267 /nfs/dbraw/zinc/82/02/67/483820267.db2.gz IHBIPLOUVQGADO-LBPRGKRZSA-N 0 3 358.468 -0.010 20 0 FBADHN CN1CCC[C@@]2(CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)C1 ZINC000294166224 483820513 /nfs/dbraw/zinc/82/05/13/483820513.db2.gz OFMBZZHQPTXYGF-GOSISDBHSA-N 0 3 374.445 -0.622 20 0 FBADHN CN1CCC[C@]2(CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)C1 ZINC000294166229 483820509 /nfs/dbraw/zinc/82/05/09/483820509.db2.gz OFMBZZHQPTXYGF-SFHVURJKSA-N 0 3 374.445 -0.622 20 0 FBADHN NS(=O)(=O)CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000294192936 483820372 /nfs/dbraw/zinc/82/03/72/483820372.db2.gz KRGHGYYPKCTGEH-HNNXBMFYSA-N 0 3 370.475 -0.135 20 0 FBADHN NS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294192944 483820531 /nfs/dbraw/zinc/82/05/31/483820531.db2.gz KRGHGYYPKCTGEH-OAHLLOKOSA-N 0 3 370.475 -0.135 20 0 FBADHN CN(C)S(=O)(=O)NCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000294238390 483820839 /nfs/dbraw/zinc/82/08/39/483820839.db2.gz OOHBEJYXEVOXRE-HNNXBMFYSA-N 0 3 369.491 -0.044 20 0 FBADHN CN(C)S(=O)(=O)NCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294238393 483820892 /nfs/dbraw/zinc/82/08/92/483820892.db2.gz OOHBEJYXEVOXRE-OAHLLOKOSA-N 0 3 369.491 -0.044 20 0 FBADHN CC(C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O ZINC000294239070 483820919 /nfs/dbraw/zinc/82/09/19/483820919.db2.gz ZPRAXNCZTRNUBV-JTQLQIEISA-N 0 3 364.445 -0.396 20 0 FBADHN CC(C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O ZINC000294241745 244464162 /nfs/dbraw/zinc/46/41/62/244464162.db2.gz ZPRAXNCZTRNUBV-SNVBAGLBSA-N 0 3 364.445 -0.396 20 0 FBADHN CN(C)[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)c1ccccc1 ZINC000294324083 483821359 /nfs/dbraw/zinc/82/13/59/483821359.db2.gz WERBWBLKXKUWRE-AWEZNQCLSA-N 0 3 358.464 -0.106 20 0 FBADHN CN(C)[C@H](CNC(=O)NCCOCCS(N)(=O)=O)c1ccccc1 ZINC000294324086 483821390 /nfs/dbraw/zinc/82/13/90/483821390.db2.gz WERBWBLKXKUWRE-CQSZACIVSA-N 0 3 358.464 -0.106 20 0 FBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C1=NN(CCO)C(=O)CC1 ZINC000294327377 483821320 /nfs/dbraw/zinc/82/13/20/483821320.db2.gz 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ZINC000294587415 483822569 /nfs/dbraw/zinc/82/25/69/483822569.db2.gz MVATVWILNKZVNW-MRXNPFEDSA-N 0 3 363.462 -0.708 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)cn1 ZINC000294611688 483822689 /nfs/dbraw/zinc/82/26/89/483822689.db2.gz JZHRDVWFWPJHEG-DGCLKSJQSA-N 0 3 356.448 -0.483 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cn1 ZINC000294611688 483822686 /nfs/dbraw/zinc/82/26/86/483822686.db2.gz JZHRDVWFWPJHEG-DGCLKSJQSA-N 0 3 356.448 -0.483 20 0 FBADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000294636299 483822539 /nfs/dbraw/zinc/82/25/39/483822539.db2.gz LTCAMKGFTMVJJP-CZUORRHYSA-N 0 3 361.446 -0.455 20 0 FBADHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ncn(C)n1 ZINC000294734107 483822917 /nfs/dbraw/zinc/82/29/17/483822917.db2.gz KWDPIKRZMRDSRS-CYBMUJFWSA-N 0 3 351.455 -0.372 20 0 FBADHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ncn(C)n1 ZINC000294734108 483823102 /nfs/dbraw/zinc/82/31/02/483823102.db2.gz 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/nfs/dbraw/zinc/82/45/89/483824589.db2.gz HNOXLBWKFIFVCM-UHFFFAOYSA-N 0 3 355.464 -0.273 20 0 FBADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)CCN1C(=O)CCC1=O ZINC000295186705 483824583 /nfs/dbraw/zinc/82/45/83/483824583.db2.gz IXWVXXVTSKQGGR-UHFFFAOYSA-N 0 3 368.459 -0.149 20 0 FBADHN C[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN(C2CC2)C1 ZINC000295246218 483824506 /nfs/dbraw/zinc/82/45/06/483824506.db2.gz DKSGLQIEPRMIIG-GFCCVEGCSA-N 0 3 374.445 -0.624 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCN(C2CC2)C1 ZINC000295246222 483824302 /nfs/dbraw/zinc/82/43/02/483824302.db2.gz DKSGLQIEPRMIIG-LBPRGKRZSA-N 0 3 374.445 -0.624 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O ZINC000295260395 483824598 /nfs/dbraw/zinc/82/45/98/483824598.db2.gz GXJPJRNGBCCJFA-SECBINFHSA-N 0 3 373.412 -0.762 20 0 FBADHN CC1C(=O)N(C)S(=O)(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O ZINC000295260400 483824614 /nfs/dbraw/zinc/82/46/14/483824614.db2.gz GXJPJRNGBCCJFA-VIFPVBQESA-N 0 3 373.412 -0.762 20 0 FBADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@H](O)Cn1cccn1 ZINC000295279680 483824644 /nfs/dbraw/zinc/82/46/44/483824644.db2.gz SPPYRLQXTFLVSR-HNNXBMFYSA-N 0 3 367.475 -0.040 20 0 FBADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@@H](O)Cn1cccn1 ZINC000295279681 483824683 /nfs/dbraw/zinc/82/46/83/483824683.db2.gz SPPYRLQXTFLVSR-OAHLLOKOSA-N 0 3 367.475 -0.040 20 0 FBADHN COCc1ccc(CNC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000295288050 483824592 /nfs/dbraw/zinc/82/45/92/483824592.db2.gz JDQATOZDZZEOAF-LLVKDONJSA-N 0 3 355.416 -0.144 20 0 FBADHN COCc1ccc(CNC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000295288052 483824385 /nfs/dbraw/zinc/82/43/85/483824385.db2.gz JDQATOZDZZEOAF-NSHDSACASA-N 0 3 355.416 -0.144 20 0 FBADHN COc1ccc(NC(=O)NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000295352498 483824940 /nfs/dbraw/zinc/82/49/40/483824940.db2.gz NXKRWMLXFQADSN-SECBINFHSA-N 0 3 370.387 -0.249 20 0 FBADHN COc1ccc(NC(=O)NC(=O)CN2C(C)=C([O-])N(C)S2(=O)=O)cc1 ZINC000295352498 483824939 /nfs/dbraw/zinc/82/49/39/483824939.db2.gz 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ZINC000295360381 483824900 /nfs/dbraw/zinc/82/49/00/483824900.db2.gz OLCHCXLZYJXNIZ-SNVBAGLBSA-N 0 3 359.379 -0.272 20 0 FBADHN C[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN(C2CC2)C1 ZINC000295409289 483824954 /nfs/dbraw/zinc/82/49/54/483824954.db2.gz SGWZCEXRGKGMGF-GFCCVEGCSA-N 0 3 374.445 -0.624 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCN(C2CC2)C1 ZINC000295409292 483825190 /nfs/dbraw/zinc/82/51/90/483825190.db2.gz SGWZCEXRGKGMGF-LBPRGKRZSA-N 0 3 374.445 -0.624 20 0 FBADHN COC(=O)c1ccccc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295443169 483825582 /nfs/dbraw/zinc/82/55/82/483825582.db2.gz VUMIKAMUDSMDNA-SECBINFHSA-N 0 3 355.372 -0.181 20 0 FBADHN COC(=O)c1ccccc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295443172 483825674 /nfs/dbraw/zinc/82/56/74/483825674.db2.gz VUMIKAMUDSMDNA-VIFPVBQESA-N 0 3 355.372 -0.181 20 0 FBADHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CCN(C2CC2)C1 ZINC000295489557 483825572 /nfs/dbraw/zinc/82/55/72/483825572.db2.gz ZSNAZIONJKPEIV-GFCCVEGCSA-N 0 3 355.464 -0.359 20 0 FBADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CCN(C2CC2)C1 ZINC000295489560 483825368 /nfs/dbraw/zinc/82/53/68/483825368.db2.gz ZSNAZIONJKPEIV-LBPRGKRZSA-N 0 3 355.464 -0.359 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3cccnc3)[C@H]2C1 ZINC000295489696 483825439 /nfs/dbraw/zinc/82/54/39/483825439.db2.gz CRJNKDHCENWMQN-LSDHHAIUSA-N 0 3 368.459 -0.319 20 0 FBADHN CC(=O)NCCc1ccc(C(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000295493309 483825515 /nfs/dbraw/zinc/82/55/15/483825515.db2.gz ZKXUIDSBMLPUIF-LLVKDONJSA-N 0 3 367.427 -0.045 20 0 FBADHN CC(=O)NCCc1ccc(C(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1 ZINC000295493312 483825670 /nfs/dbraw/zinc/82/56/70/483825670.db2.gz ZKXUIDSBMLPUIF-NSHDSACASA-N 0 3 367.427 -0.045 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CCCN(CCCO)C1 ZINC000295566318 483826025 /nfs/dbraw/zinc/82/60/25/483826025.db2.gz USTOSVMRDKKYDQ-GFCCVEGCSA-N 0 3 361.489 -0.011 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CCCN(CCCO)C1 ZINC000295566322 483825877 /nfs/dbraw/zinc/82/58/77/483825877.db2.gz USTOSVMRDKKYDQ-LBPRGKRZSA-N 0 3 361.489 -0.011 20 0 FBADHN Cn1c(N)c(C(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(=O)n(C)c1=O ZINC000295849728 483827042 /nfs/dbraw/zinc/82/70/42/483827042.db2.gz BDBQMXSIPQGCIP-GDLCADMTSA-N 0 3 362.430 -0.214 20 0 FBADHN Cn1c(N)c(C(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(=O)n(C)c1=O ZINC000295849733 483826754 /nfs/dbraw/zinc/82/67/54/483826754.db2.gz BDBQMXSIPQGCIP-HONMWMINSA-N 0 3 362.430 -0.214 20 0 FBADHN Cn1c(N)c(C(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(=O)n(C)c1=O ZINC000295849740 483826936 /nfs/dbraw/zinc/82/69/36/483826936.db2.gz BDBQMXSIPQGCIP-LERXQTSPSA-N 0 3 362.430 -0.214 20 0 FBADHN Cn1c(N)c(C(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(=O)n(C)c1=O ZINC000295849746 483826881 /nfs/dbraw/zinc/82/68/81/483826881.db2.gz BDBQMXSIPQGCIP-ZLKJLUDKSA-N 0 3 362.430 -0.214 20 0 FBADHN CCN1CCN(c2ccc(NC(=O)NC(CO)(CO)CO)c(C)c2)CC1 ZINC000296164806 483827993 /nfs/dbraw/zinc/82/79/93/483827993.db2.gz 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ZINC000296557347 483829573 /nfs/dbraw/zinc/82/95/73/483829573.db2.gz CHFZNZDJBCVNPV-UHFFFAOYSA-N 0 3 352.435 -0.334 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000296672211 483829403 /nfs/dbraw/zinc/82/94/03/483829403.db2.gz GYDYIUVWNHKFSI-NEPJUHHUSA-N 0 3 363.462 -0.347 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000296672215 483829748 /nfs/dbraw/zinc/82/97/48/483829748.db2.gz GYDYIUVWNHKFSI-NWDGAFQWSA-N 0 3 363.462 -0.347 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000296672220 483829447 /nfs/dbraw/zinc/82/94/47/483829447.db2.gz GYDYIUVWNHKFSI-RYUDHWBXSA-N 0 3 363.462 -0.347 20 0 FBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000296672225 483829359 /nfs/dbraw/zinc/82/93/59/483829359.db2.gz GYDYIUVWNHKFSI-VXGBXAGGSA-N 0 3 363.462 -0.347 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)nc1 ZINC000296885103 483829919 /nfs/dbraw/zinc/82/99/19/483829919.db2.gz 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/nfs/dbraw/zinc/83/22/92/483832292.db2.gz VRLGGMTZXWDGLY-QGZVFWFLSA-N 0 3 363.462 -0.004 20 0 FBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCOCCS(N)(=O)=O ZINC000297379016 483832334 /nfs/dbraw/zinc/83/23/34/483832334.db2.gz MZALAIZUPLFNBV-HNNXBMFYSA-N 0 3 372.491 -0.236 20 0 FBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCOCCS(N)(=O)=O ZINC000297379022 483832170 /nfs/dbraw/zinc/83/21/70/483832170.db2.gz MZALAIZUPLFNBV-OAHLLOKOSA-N 0 3 372.491 -0.236 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1N(C)C ZINC000297381761 483832239 /nfs/dbraw/zinc/83/22/39/483832239.db2.gz AMTDAMMEUDEMMX-KBPBESRZSA-N 0 3 362.430 -0.028 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1N(C)C ZINC000297381767 483832094 /nfs/dbraw/zinc/83/20/94/483832094.db2.gz AMTDAMMEUDEMMX-KGLIPLIRSA-N 0 3 362.430 -0.028 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1N(C)C ZINC000297381772 483832043 /nfs/dbraw/zinc/83/20/43/483832043.db2.gz AMTDAMMEUDEMMX-UONOGXRCSA-N 0 3 362.430 -0.028 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1N(C)C ZINC000297381777 483832364 /nfs/dbraw/zinc/83/23/64/483832364.db2.gz AMTDAMMEUDEMMX-ZIAGYGMSSA-N 0 3 362.430 -0.028 20 0 FBADHN CN(CCO)C(=O)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297495945 483832734 /nfs/dbraw/zinc/83/27/34/483832734.db2.gz KYTPAWNCRAJKMN-GOSISDBHSA-N 0 3 374.485 -0.144 20 0 FBADHN CN(CCO)C(=O)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297495948 483832860 /nfs/dbraw/zinc/83/28/60/483832860.db2.gz KYTPAWNCRAJKMN-SFHVURJKSA-N 0 3 374.485 -0.144 20 0 FBADHN CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccnn1CCN(C)C ZINC000297524674 483832706 /nfs/dbraw/zinc/83/27/06/483832706.db2.gz VLWSJNIGFCIXKM-UHFFFAOYSA-N 0 3 361.472 -0.601 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000297539968 483833145 /nfs/dbraw/zinc/83/31/45/483833145.db2.gz OSQKOBFSVYQCKH-AWEZNQCLSA-N 0 3 360.414 -0.129 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000297541430 483832939 /nfs/dbraw/zinc/83/29/39/483832939.db2.gz OSQKOBFSVYQCKH-CQSZACIVSA-N 0 3 360.414 -0.129 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000297550211 483832952 /nfs/dbraw/zinc/83/29/52/483832952.db2.gz AQCQXNCJQBLPCP-CABCVRRESA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000297550213 483833300 /nfs/dbraw/zinc/83/33/00/483833300.db2.gz AQCQXNCJQBLPCP-GJZGRUSLSA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000297550216 483833271 /nfs/dbraw/zinc/83/32/71/483833271.db2.gz AQCQXNCJQBLPCP-HUUCEWRRSA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000297550219 483833313 /nfs/dbraw/zinc/83/33/13/483833313.db2.gz AQCQXNCJQBLPCP-LSDHHAIUSA-N 0 3 358.446 -0.180 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000297558553 483833162 /nfs/dbraw/zinc/83/31/62/483833162.db2.gz COAOAAYJDJXHOE-AWEZNQCLSA-N 0 3 362.409 -0.429 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000297558561 483833078 /nfs/dbraw/zinc/83/30/78/483833078.db2.gz COAOAAYJDJXHOE-CQSZACIVSA-N 0 3 362.409 -0.429 20 0 FBADHN CN(CCN1CCN(C(=O)C(=O)N(C)CCO)CC1)Cc1ccccc1 ZINC000297564835 483833297 /nfs/dbraw/zinc/83/32/97/483833297.db2.gz QULBAXWAHIXAMW-UHFFFAOYSA-N 0 3 362.474 -0.287 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC000297580434 483833325 /nfs/dbraw/zinc/83/33/25/483833325.db2.gz GAZSSZUOHYZBSH-CYBMUJFWSA-N 0 3 350.398 -0.573 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC000297580436 483833131 /nfs/dbraw/zinc/83/31/31/483833131.db2.gz GAZSSZUOHYZBSH-ZDUSSCGKSA-N 0 3 350.398 -0.573 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000297583520 483832960 /nfs/dbraw/zinc/83/29/60/483832960.db2.gz ASPUEHFSARXVCK-UHFFFAOYSA-N 0 3 366.462 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC(=O)N1 ZINC000297590195 483833725 /nfs/dbraw/zinc/83/37/25/483833725.db2.gz CENHNDDNEKRQER-GFCCVEGCSA-N 0 3 352.460 -0.015 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC(=O)N1 ZINC000297590202 483833628 /nfs/dbraw/zinc/83/36/28/483833628.db2.gz CENHNDDNEKRQER-LBPRGKRZSA-N 0 3 352.460 -0.015 20 0 FBADHN CN(C)CCn1nccc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000297610754 483833766 /nfs/dbraw/zinc/83/37/66/483833766.db2.gz APPVVPLSQPKAHW-UHFFFAOYSA-N 0 3 364.431 -0.119 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000297642866 483834158 /nfs/dbraw/zinc/83/41/58/483834158.db2.gz FYDYSAWLTYEVDV-CABCVRRESA-N 0 3 360.462 -0.236 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000297642868 483834140 /nfs/dbraw/zinc/83/41/40/483834140.db2.gz FYDYSAWLTYEVDV-GJZGRUSLSA-N 0 3 360.462 -0.236 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000297642870 483834368 /nfs/dbraw/zinc/83/43/68/483834368.db2.gz FYDYSAWLTYEVDV-HUUCEWRRSA-N 0 3 360.462 -0.236 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000297642873 483833968 /nfs/dbraw/zinc/83/39/68/483833968.db2.gz FYDYSAWLTYEVDV-LSDHHAIUSA-N 0 3 360.462 -0.236 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000297651157 483835008 /nfs/dbraw/zinc/83/50/08/483835008.db2.gz KAYNKMZIPYLGHK-UHFFFAOYSA-N 0 3 364.450 -0.838 20 0 FBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CC[C@H](N(C)C)C3)CC2)n1 ZINC000297684316 244519618 /nfs/dbraw/zinc/51/96/18/244519618.db2.gz AYYBKAOXADVADS-HNNXBMFYSA-N 0 3 360.462 -0.095 20 0 FBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CC[C@@H](N(C)C)C3)CC2)n1 ZINC000297684319 483835316 /nfs/dbraw/zinc/83/53/16/483835316.db2.gz AYYBKAOXADVADS-OAHLLOKOSA-N 0 3 360.462 -0.095 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000297687265 483835416 /nfs/dbraw/zinc/83/54/16/483835416.db2.gz LXHKLWSDQYWMBN-UHFFFAOYSA-N 0 3 366.466 -0.895 20 0 FBADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2)no1 ZINC000297701999 483835806 /nfs/dbraw/zinc/83/58/06/483835806.db2.gz CSQRVWNLXGBDNS-INIZCTEOSA-N 0 3 361.446 -0.066 20 0 FBADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CC2)no1 ZINC000297702003 483835989 /nfs/dbraw/zinc/83/59/89/483835989.db2.gz CSQRVWNLXGBDNS-MRXNPFEDSA-N 0 3 361.446 -0.066 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000297707292 536839969 /nfs/dbraw/zinc/83/99/69/536839969.db2.gz MXZIRUDKZRBFEC-UHFFFAOYSA-N 0 3 364.450 -0.838 20 0 FBADHN Cn1ccnc1[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCN1C ZINC000297718522 483836596 /nfs/dbraw/zinc/83/65/96/483836596.db2.gz NBXSMDHVYVCMRZ-CABCVRRESA-N 0 3 360.462 -0.458 20 0 FBADHN Cn1ccnc1[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CCN1C ZINC000297718531 483836520 /nfs/dbraw/zinc/83/65/20/483836520.db2.gz NBXSMDHVYVCMRZ-GJZGRUSLSA-N 0 3 360.462 -0.458 20 0 FBADHN Cn1ccnc1[C@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCN1C ZINC000297718535 483836557 /nfs/dbraw/zinc/83/65/57/483836557.db2.gz NBXSMDHVYVCMRZ-HUUCEWRRSA-N 0 3 360.462 -0.458 20 0 FBADHN Cn1ccnc1[C@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CCN1C ZINC000297718542 483836725 /nfs/dbraw/zinc/83/67/25/483836725.db2.gz NBXSMDHVYVCMRZ-LSDHHAIUSA-N 0 3 360.462 -0.458 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000297736283 483836455 /nfs/dbraw/zinc/83/64/55/483836455.db2.gz CEOAEXWMUNMEIB-UHFFFAOYSA-N 0 3 365.434 -0.064 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2)n1 ZINC000297743533 483836794 /nfs/dbraw/zinc/83/67/94/483836794.db2.gz OLMMHEYNAQCRJS-HNNXBMFYSA-N 0 3 358.446 -0.260 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CC2)n1 ZINC000297743535 483837237 /nfs/dbraw/zinc/83/72/37/483837237.db2.gz OLMMHEYNAQCRJS-OAHLLOKOSA-N 0 3 358.446 -0.260 20 0 FBADHN Cn1cc(CN2CCCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2)cn1 ZINC000297746027 483836979 /nfs/dbraw/zinc/83/69/79/483836979.db2.gz PAEORANGKBNFPE-KRWDZBQOSA-N 0 3 374.489 -0.239 20 0 FBADHN Cn1cc(CN2CCCN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CC2)cn1 ZINC000297746029 483837011 /nfs/dbraw/zinc/83/70/11/483837011.db2.gz PAEORANGKBNFPE-QGZVFWFLSA-N 0 3 374.489 -0.239 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000297758871 483837067 /nfs/dbraw/zinc/83/70/67/483837067.db2.gz PRMBQGRAUTXCFV-UHFFFAOYSA-N 0 3 363.462 -0.233 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)N3C[C@H](C)[C@H](N(C)C)C3)CC2)n1 ZINC000297767032 483837514 /nfs/dbraw/zinc/83/75/14/483837514.db2.gz KOHABWRJKGFDHN-DZGCQCFKSA-N 0 3 360.462 -0.158 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)CC2)n1 ZINC000297767034 483837502 /nfs/dbraw/zinc/83/75/02/483837502.db2.gz KOHABWRJKGFDHN-HIFRSBDPSA-N 0 3 360.462 -0.158 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H](N(C)C)C3)CC2)n1 ZINC000297767036 483837475 /nfs/dbraw/zinc/83/74/75/483837475.db2.gz KOHABWRJKGFDHN-UKRRQHHQSA-N 0 3 360.462 -0.158 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)N3C[C@H](N(C)C)[C@@H](C)C3)CC2)n1 ZINC000297767040 483837654 /nfs/dbraw/zinc/83/76/54/483837654.db2.gz KOHABWRJKGFDHN-ZFWWWQNUSA-N 0 3 360.462 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/nfs/dbraw/zinc/83/79/62/483837962.db2.gz IVNYEJWKNJNMFC-OAHLLOKOSA-N 0 3 360.462 -0.075 20 0 FBADHN Cn1cc([C@@]2(C)CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CCO2)cn1 ZINC000297804185 483838101 /nfs/dbraw/zinc/83/81/01/483838101.db2.gz RSYYMCAUGWOMPE-CRAIPNDOSA-N 0 3 361.446 -0.199 20 0 FBADHN Cn1cc([C@@]2(C)CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CCO2)cn1 ZINC000297804198 483838265 /nfs/dbraw/zinc/83/82/65/483838265.db2.gz RSYYMCAUGWOMPE-MAUKXSAKSA-N 0 3 361.446 -0.199 20 0 FBADHN Cn1cc([C@]2(C)CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CCO2)cn1 ZINC000297804205 483838137 /nfs/dbraw/zinc/83/81/37/483838137.db2.gz RSYYMCAUGWOMPE-QAPCUYQASA-N 0 3 361.446 -0.199 20 0 FBADHN Cn1cc([C@]2(C)CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CCO2)cn1 ZINC000297804211 483837996 /nfs/dbraw/zinc/83/79/96/483837996.db2.gz RSYYMCAUGWOMPE-YJBOKZPZSA-N 0 3 361.446 -0.199 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000297809243 483838301 /nfs/dbraw/zinc/83/83/01/483838301.db2.gz NTXTUUNKQWUNKS-BZUAXINKSA-N 0 3 361.446 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NC(=O)c1cc([C@@H]2CCCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)C2)n[nH]1 ZINC000297870672 483839678 /nfs/dbraw/zinc/83/96/78/483839678.db2.gz WNAPBBIITWGDQC-OLZOCXBDSA-N 0 3 374.445 -0.479 20 0 FBADHN NC(=O)c1cc([C@H]2CCCN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2)n[nH]1 ZINC000297870676 483839655 /nfs/dbraw/zinc/83/96/55/483839655.db2.gz WNAPBBIITWGDQC-QWHCGFSZSA-N 0 3 374.445 -0.479 20 0 FBADHN NC(=O)c1cc([C@H]2CCCN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)C2)n[nH]1 ZINC000297870679 483839684 /nfs/dbraw/zinc/83/96/84/483839684.db2.gz WNAPBBIITWGDQC-STQMWFEESA-N 0 3 374.445 -0.479 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000297873043 483839518 /nfs/dbraw/zinc/83/95/18/483839518.db2.gz RAMWCVQHWRJJPA-KBPBESRZSA-N 0 3 374.445 -0.710 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000297873048 483839672 /nfs/dbraw/zinc/83/96/72/483839672.db2.gz RAMWCVQHWRJJPA-KGLIPLIRSA-N 0 3 374.445 -0.710 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000297873053 483839536 /nfs/dbraw/zinc/83/95/36/483839536.db2.gz RAMWCVQHWRJJPA-UONOGXRCSA-N 0 3 374.445 -0.710 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000297873057 483839618 /nfs/dbraw/zinc/83/96/18/483839618.db2.gz RAMWCVQHWRJJPA-ZIAGYGMSSA-N 0 3 374.445 -0.710 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000297880022 483839657 /nfs/dbraw/zinc/83/96/57/483839657.db2.gz XCCMMIPGBLIHJZ-UHFFFAOYSA-N 0 3 366.462 -0.040 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000297884046 483840084 /nfs/dbraw/zinc/84/00/84/483840084.db2.gz PXXIGEAOIRCAMR-KBPBESRZSA-N 0 3 353.419 -0.050 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000297884048 483840099 /nfs/dbraw/zinc/84/00/99/483840099.db2.gz PXXIGEAOIRCAMR-KGLIPLIRSA-N 0 3 353.419 -0.050 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000297884051 244534384 /nfs/dbraw/zinc/53/43/84/244534384.db2.gz PXXIGEAOIRCAMR-UONOGXRCSA-N 0 3 353.419 -0.050 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000297884054 483839832 /nfs/dbraw/zinc/83/98/32/483839832.db2.gz PXXIGEAOIRCAMR-ZIAGYGMSSA-N 0 3 353.419 -0.050 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000297917781 483840505 /nfs/dbraw/zinc/84/05/05/483840505.db2.gz UHKNAIKMYZFTPV-CABCVRRESA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000297917786 483840467 /nfs/dbraw/zinc/84/04/67/483840467.db2.gz UHKNAIKMYZFTPV-GJZGRUSLSA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000297917790 483840614 /nfs/dbraw/zinc/84/06/14/483840614.db2.gz UHKNAIKMYZFTPV-HUUCEWRRSA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000297917794 483840490 /nfs/dbraw/zinc/84/04/90/483840490.db2.gz UHKNAIKMYZFTPV-LSDHHAIUSA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000297926729 483841168 /nfs/dbraw/zinc/84/11/68/483841168.db2.gz UTOCEOAQGFFKPM-BZUAXINKSA-N 0 3 374.489 -0.070 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000297926731 483841041 /nfs/dbraw/zinc/84/10/41/483841041.db2.gz UTOCEOAQGFFKPM-OAGGEKHMSA-N 0 3 374.489 -0.070 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000297926733 483841022 /nfs/dbraw/zinc/84/10/22/483841022.db2.gz UTOCEOAQGFFKPM-OWCLPIDISA-N 0 3 374.489 -0.070 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000297926735 483840948 /nfs/dbraw/zinc/84/09/48/483840948.db2.gz UTOCEOAQGFFKPM-PMPSAXMXSA-N 0 3 374.489 -0.070 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCn2cnnc2C1 ZINC000297930745 483841308 /nfs/dbraw/zinc/84/13/08/483841308.db2.gz ZZLJOKMYEWVMCV-UHFFFAOYSA-N 0 3 352.439 -0.563 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000297943737 483840916 /nfs/dbraw/zinc/84/09/16/483840916.db2.gz DLBJNXZHNSYMTK-HNNXBMFYSA-N 0 3 373.457 -0.081 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000297943743 244542030 /nfs/dbraw/zinc/54/20/30/244542030.db2.gz DLBJNXZHNSYMTK-OAHLLOKOSA-N 0 3 373.457 -0.081 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)N(C)CCN(C)C)CC2)n1 ZINC000297943967 483841220 /nfs/dbraw/zinc/84/12/20/483841220.db2.gz DMHUNHPGBZCWKV-UHFFFAOYSA-N 0 3 350.423 -0.846 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000297946713 483841207 /nfs/dbraw/zinc/84/12/07/483841207.db2.gz UBHXYLUVIABGFA-UHFFFAOYSA-N 0 3 364.450 -0.606 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000297947333 483840901 /nfs/dbraw/zinc/84/09/01/483840901.db2.gz FSFGOVSHXZSTDN-UHFFFAOYSA-N 0 3 366.462 -0.040 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000297949942 483841305 /nfs/dbraw/zinc/84/13/05/483841305.db2.gz UIJNBAPWQXQPJV-UHFFFAOYSA-N 0 3 350.467 -0.133 20 0 FBADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCNC(=O)C1 ZINC000297961665 483841756 /nfs/dbraw/zinc/84/17/56/483841756.db2.gz SQQOYRSHQJBJIG-UHFFFAOYSA-N 0 3 350.394 -0.326 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000297964923 483841739 /nfs/dbraw/zinc/84/17/39/483841739.db2.gz GCFVVKQKUBNKLK-UHFFFAOYSA-N 0 3 373.457 -0.081 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000297978500 483841715 /nfs/dbraw/zinc/84/17/15/483841715.db2.gz XTVFNOHDTMUPJA-CABCVRRESA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000297978505 483841643 /nfs/dbraw/zinc/84/16/43/483841643.db2.gz XTVFNOHDTMUPJA-GJZGRUSLSA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000297978511 483841650 /nfs/dbraw/zinc/84/16/50/483841650.db2.gz XTVFNOHDTMUPJA-HUUCEWRRSA-N 0 3 358.446 -0.180 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000297978516 483841561 /nfs/dbraw/zinc/84/15/61/483841561.db2.gz XTVFNOHDTMUPJA-LSDHHAIUSA-N 0 3 358.446 -0.180 20 0 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484223860 /nfs/dbraw/zinc/22/38/60/484223860.db2.gz HDFIXHJORLGULL-UONOGXRCSA-N 0 3 362.492 -0.116 20 0 FBADHN CC[C@@H](O)CN1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000329211544 484222723 /nfs/dbraw/zinc/22/27/23/484222723.db2.gz HDFIXHJORLGULL-ZIAGYGMSSA-N 0 3 362.492 -0.116 20 0 FBADHN CO[C@H]1C[C@@H](CN2CCCC2)N(CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000329212476 484224031 /nfs/dbraw/zinc/22/40/31/484224031.db2.gz ZYMUDNLESSVORT-IRXDYDNUSA-N 0 3 352.479 -0.138 20 0 FBADHN CN1CCN(C(=O)CC2CCN(CCN3C(=O)CNC3=O)CC2)CC1 ZINC000329221010 484224461 /nfs/dbraw/zinc/22/44/61/484224461.db2.gz BSMIOHWFEVDFIS-UHFFFAOYSA-N 0 3 351.451 -0.381 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329223495 484224859 /nfs/dbraw/zinc/22/48/59/484224859.db2.gz YDWBUOVPYADADN-HZSPNIEDSA-N 0 3 362.492 -0.118 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329223496 484224686 /nfs/dbraw/zinc/22/46/86/484224686.db2.gz YDWBUOVPYADADN-IHRRRGAJSA-N 0 3 362.492 -0.118 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329223497 484224608 /nfs/dbraw/zinc/22/46/08/484224608.db2.gz YDWBUOVPYADADN-MELADBBJSA-N 0 3 362.492 -0.118 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329223498 484225157 /nfs/dbraw/zinc/22/51/57/484225157.db2.gz YDWBUOVPYADADN-RDBSUJKOSA-N 0 3 362.492 -0.118 20 0 FBADHN CN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2)C1 ZINC000329231045 244710280 /nfs/dbraw/zinc/71/02/80/244710280.db2.gz KIYWETYONIDKHJ-RVKKMQEKSA-N 0 3 351.447 -0.053 20 0 FBADHN CN1CC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2)C1 ZINC000329231046 484225263 /nfs/dbraw/zinc/22/52/63/484225263.db2.gz KIYWETYONIDKHJ-VKJFTORMSA-N 0 3 351.447 -0.053 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cn1C ZINC000329242382 484226375 /nfs/dbraw/zinc/22/63/75/484226375.db2.gz AFIUEMIEOCIWOJ-CHWSQXEVSA-N 0 3 355.464 -0.441 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cn1C ZINC000329242384 484225950 /nfs/dbraw/zinc/22/59/50/484225950.db2.gz AFIUEMIEOCIWOJ-OLZOCXBDSA-N 0 3 355.464 -0.441 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cn1C ZINC000329242385 484226342 /nfs/dbraw/zinc/22/63/42/484226342.db2.gz AFIUEMIEOCIWOJ-QWHCGFSZSA-N 0 3 355.464 -0.441 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cn1C ZINC000329242386 484227084 /nfs/dbraw/zinc/22/70/84/484227084.db2.gz AFIUEMIEOCIWOJ-STQMWFEESA-N 0 3 355.464 -0.441 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000329251937 484225918 /nfs/dbraw/zinc/22/59/18/484225918.db2.gz BTBIWQWWPRYNLA-KBPBESRZSA-N 0 3 374.432 -0.283 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000329251940 484226883 /nfs/dbraw/zinc/22/68/83/484226883.db2.gz BTBIWQWWPRYNLA-KGLIPLIRSA-N 0 3 374.432 -0.283 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000329251942 484226787 /nfs/dbraw/zinc/22/67/87/484226787.db2.gz BTBIWQWWPRYNLA-UONOGXRCSA-N 0 3 374.432 -0.283 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000329252086 484226716 /nfs/dbraw/zinc/22/67/16/484226716.db2.gz BTBIWQWWPRYNLA-ZIAGYGMSSA-N 0 3 374.432 -0.283 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000329263632 484228064 /nfs/dbraw/zinc/22/80/64/484228064.db2.gz BNSGIGFKPSRITF-UHFFFAOYSA-N 0 3 358.402 -0.185 20 0 FBADHN O=c1n(CCN2CCC(O)(CN3CCOCC3)CC2)nc2ccccn21 ZINC000329273324 484227555 /nfs/dbraw/zinc/22/75/55/484227555.db2.gz IDWCOUCXGDUKON-UHFFFAOYSA-N 0 3 361.446 -0.345 20 0 FBADHN Cc1nnc(CN2CCN(C(=O)Nc3ccn(CCN(C)C)n3)CC2)[nH]1 ZINC000329298451 484453211 /nfs/dbraw/zinc/45/32/11/484453211.db2.gz UOOSSINEVJGOCX-UHFFFAOYSA-N 0 3 361.454 0.221 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCO1 ZINC000329303745 484231152 /nfs/dbraw/zinc/23/11/52/484231152.db2.gz XPNNHXHWTAXKOU-KFWWJZLASA-N 0 3 355.435 -0.818 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCO1 ZINC000329303746 484231666 /nfs/dbraw/zinc/23/16/66/484231666.db2.gz XPNNHXHWTAXKOU-ZNMIVQPWSA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000329325125 484232770 /nfs/dbraw/zinc/23/27/70/484232770.db2.gz INYBOEJNRKSOSW-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000329325126 484233087 /nfs/dbraw/zinc/23/30/87/484233087.db2.gz INYBOEJNRKSOSW-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000329325127 484232516 /nfs/dbraw/zinc/23/25/16/484232516.db2.gz INYBOEJNRKSOSW-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000329325128 484233391 /nfs/dbraw/zinc/23/33/91/484233391.db2.gz INYBOEJNRKSOSW-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329361426 484237412 /nfs/dbraw/zinc/23/74/12/484237412.db2.gz YOEDGAVIVNCRKX-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329361427 484238225 /nfs/dbraw/zinc/23/82/25/484238225.db2.gz YOEDGAVIVNCRKX-MRXNPFEDSA-N 0 3 352.479 -0.136 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000329366115 484237818 /nfs/dbraw/zinc/23/78/18/484237818.db2.gz KGGCCVAGSSSHPW-AWEZNQCLSA-N 0 3 364.446 -0.319 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000329366120 484237293 /nfs/dbraw/zinc/23/72/93/484237293.db2.gz KGGCCVAGSSSHPW-CQSZACIVSA-N 0 3 364.446 -0.319 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)O1 ZINC000329371836 484238262 /nfs/dbraw/zinc/23/82/62/484238262.db2.gz JCJNNVJKNJFKNI-KFWWJZLASA-N 0 3 366.462 -0.613 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)O1 ZINC000329371838 484238242 /nfs/dbraw/zinc/23/82/42/484238242.db2.gz JCJNNVJKNJFKNI-ZNMIVQPWSA-N 0 3 366.462 -0.613 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000329372250 484237701 /nfs/dbraw/zinc/23/77/01/484237701.db2.gz KHIIVTAOYYBFLU-BZUAXINKSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000329372251 484237073 /nfs/dbraw/zinc/23/70/73/484237073.db2.gz KHIIVTAOYYBFLU-OAGGEKHMSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000329372252 484237243 /nfs/dbraw/zinc/23/72/43/484237243.db2.gz KHIIVTAOYYBFLU-OWCLPIDISA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000329372253 484238103 /nfs/dbraw/zinc/23/81/03/484238103.db2.gz KHIIVTAOYYBFLU-PMPSAXMXSA-N 0 3 352.479 -0.282 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1C ZINC000329387835 484238907 /nfs/dbraw/zinc/23/89/07/484238907.db2.gz RBXOUEFPBWGLCS-DGCLKSJQSA-N 0 3 355.464 -0.298 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cn1C ZINC000329387835 484238901 /nfs/dbraw/zinc/23/89/01/484238901.db2.gz RBXOUEFPBWGLCS-DGCLKSJQSA-N 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C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329391695 484241017 /nfs/dbraw/zinc/24/10/17/484241017.db2.gz SYRFNXSVQHVGMQ-ZACQAIPSSA-N 0 3 364.490 -0.138 20 0 FBADHN CC[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H]1CCCO1 ZINC000329398643 484241417 /nfs/dbraw/zinc/24/14/17/484241417.db2.gz AJLGQAZTIQJUFX-HRCADAONSA-N 0 3 373.519 -0.135 20 0 FBADHN CC[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H]1CCCO1 ZINC000329398644 484240806 /nfs/dbraw/zinc/24/08/06/484240806.db2.gz AJLGQAZTIQJUFX-JYJNAYRXSA-N 0 3 373.519 -0.135 20 0 FBADHN CC[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H]1CCCO1 ZINC000329398646 484241037 /nfs/dbraw/zinc/24/10/37/484241037.db2.gz AJLGQAZTIQJUFX-OWCLPIDISA-N 0 3 373.519 -0.135 20 0 FBADHN CC[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H]1CCCO1 ZINC000329398649 484240958 /nfs/dbraw/zinc/24/09/58/484240958.db2.gz AJLGQAZTIQJUFX-PMPSAXMXSA-N 0 3 373.519 -0.135 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000329405894 484242191 /nfs/dbraw/zinc/24/21/91/484242191.db2.gz BXQXTUUXBANTGC-INIZCTEOSA-N 0 3 355.479 -0.360 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000329405895 484242479 /nfs/dbraw/zinc/24/24/79/484242479.db2.gz BXQXTUUXBANTGC-MRXNPFEDSA-N 0 3 355.479 -0.360 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC000329406123 484242259 /nfs/dbraw/zinc/24/22/59/484242259.db2.gz BXRAGQLTZNRCLK-APIJFGDWSA-N 0 3 369.487 -0.425 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC000329406124 484241714 /nfs/dbraw/zinc/24/17/14/484241714.db2.gz BXRAGQLTZNRCLK-KBUPBQIOSA-N 0 3 369.487 -0.425 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[C@H]2C1 ZINC000329406125 484241911 /nfs/dbraw/zinc/24/19/11/484241911.db2.gz BXRAGQLTZNRCLK-KBXIAJHMSA-N 0 3 369.487 -0.425 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[C@H]2C1 ZINC000329406126 484242683 /nfs/dbraw/zinc/24/26/83/484242683.db2.gz BXRAGQLTZNRCLK-TUVASFSCSA-N 0 3 369.487 -0.425 20 0 FBADHN CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CN2CCC1CC2 ZINC000329406459 657767433 /nfs/dbraw/zinc/76/74/33/657767433.db2.gz AYNSXURWVHJCKU-ILXRZTDVSA-N 0 3 369.487 -0.425 20 0 FBADHN CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CN2CCC1CC2 ZINC000329406462 657767577 /nfs/dbraw/zinc/76/75/77/657767577.db2.gz AYNSXURWVHJCKU-KFWWJZLASA-N 0 3 369.487 -0.425 20 0 FBADHN CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CN2CCC1CC2 ZINC000329406465 657767497 /nfs/dbraw/zinc/76/74/97/657767497.db2.gz AYNSXURWVHJCKU-QLFBSQMISA-N 0 3 369.487 -0.425 20 0 FBADHN CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CN2CCC1CC2 ZINC000329406467 657767783 /nfs/dbraw/zinc/76/77/83/657767783.db2.gz AYNSXURWVHJCKU-RBSFLKMASA-N 0 3 369.487 -0.425 20 0 FBADHN CCN(C(=O)[C@H](C)N[C@H]1CCc2nc(C)nn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000329429007 484243571 /nfs/dbraw/zinc/24/35/71/484243571.db2.gz 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/nfs/dbraw/zinc/74/44/11/244744411.db2.gz KNIFNZBCWUMIFA-MRXNPFEDSA-N 0 3 373.519 -0.180 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000329905881 484297559 /nfs/dbraw/zinc/29/75/59/484297559.db2.gz RSVJNHPRWNEMOL-CABCVRRESA-N 0 3 358.508 -0.351 20 0 FBADHN CN1CC(=O)N(CC(=O)N2CC[C@H](OCCN3CCCCC3)C2)C1=O ZINC000329914406 484297890 /nfs/dbraw/zinc/29/78/90/484297890.db2.gz PDIUZUIZJOCZQT-AWEZNQCLSA-N 0 3 352.435 -0.016 20 0 FBADHN CN1CC(=O)N(CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)C1=O ZINC000329914407 484297885 /nfs/dbraw/zinc/29/78/85/484297885.db2.gz PDIUZUIZJOCZQT-CQSZACIVSA-N 0 3 352.435 -0.016 20 0 FBADHN Cn1c(=O)ccn(CC(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1=O ZINC000329915492 484297010 /nfs/dbraw/zinc/29/70/10/484297010.db2.gz PQIPOBUXSKKBAP-HNNXBMFYSA-N 0 3 364.446 -0.350 20 0 FBADHN Cn1c(=O)ccn(CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1=O ZINC000329915494 484297954 /nfs/dbraw/zinc/29/79/54/484297954.db2.gz PQIPOBUXSKKBAP-OAHLLOKOSA-N 0 3 364.446 -0.350 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000329922765 484297631 /nfs/dbraw/zinc/29/76/31/484297631.db2.gz UCQDUVPOLVLPNR-CYBMUJFWSA-N 0 3 374.507 -0.386 20 0 FBADHN CS(=O)(=O)N1CCN(CC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000329940319 484299039 /nfs/dbraw/zinc/29/90/39/484299039.db2.gz GECZNMNIDXYBFP-HNNXBMFYSA-N 0 3 358.508 -0.350 20 0 FBADHN CS(=O)(=O)N1CCN(CC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000329940320 484299011 /nfs/dbraw/zinc/29/90/11/484299011.db2.gz GECZNMNIDXYBFP-OAHLLOKOSA-N 0 3 358.508 -0.350 20 0 FBADHN CS(=O)(=O)N1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000329956330 484300562 /nfs/dbraw/zinc/30/05/62/484300562.db2.gz OYVXGXYIEIYGMG-UHFFFAOYSA-N 0 3 358.508 -0.350 20 0 FBADHN CC1CCN(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000329961596 484301187 /nfs/dbraw/zinc/30/11/87/484301187.db2.gz OSBRWJKIFUXVLS-UHFFFAOYSA-N 0 3 364.446 -0.462 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000329964936 484302870 /nfs/dbraw/zinc/30/28/70/484302870.db2.gz 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CCN1CCC[C@@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000329978100 484302153 /nfs/dbraw/zinc/30/21/53/484302153.db2.gz GXRGFRXGOYBEGN-ZDUSSCGKSA-N 0 3 368.525 -0.870 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000330020439 484306148 /nfs/dbraw/zinc/30/61/48/484306148.db2.gz AFRZZGWUSDLNQC-DZGCQCFKSA-N 0 3 362.434 -0.382 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC000330020440 484306533 /nfs/dbraw/zinc/30/65/33/484306533.db2.gz AFRZZGWUSDLNQC-HIFRSBDPSA-N 0 3 362.434 -0.382 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC000330020441 484305914 /nfs/dbraw/zinc/30/59/14/484305914.db2.gz AFRZZGWUSDLNQC-UKRRQHHQSA-N 0 3 362.434 -0.382 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000330020442 484305868 /nfs/dbraw/zinc/30/58/68/484305868.db2.gz AFRZZGWUSDLNQC-ZFWWWQNUSA-N 0 3 362.434 -0.382 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)C[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330022423 484305716 /nfs/dbraw/zinc/30/57/16/484305716.db2.gz ZNDLUEYKYOYUEY-HZSPNIEDSA-N 0 3 362.492 -0.118 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330022424 484306253 /nfs/dbraw/zinc/30/62/53/484306253.db2.gz ZNDLUEYKYOYUEY-IHRRRGAJSA-N 0 3 362.492 -0.118 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330022425 484305735 /nfs/dbraw/zinc/30/57/35/484305735.db2.gz ZNDLUEYKYOYUEY-MELADBBJSA-N 0 3 362.492 -0.118 20 0 FBADHN CC(C(=O)N1CCN(C[C@H](C)O)C[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330022426 484305945 /nfs/dbraw/zinc/30/59/45/484305945.db2.gz ZNDLUEYKYOYUEY-RDBSUJKOSA-N 0 3 362.492 -0.118 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000330034717 484307383 /nfs/dbraw/zinc/30/73/83/484307383.db2.gz BENUURMHNPCASV-AWEZNQCLSA-N 0 3 362.434 -0.380 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC000330034718 484307086 /nfs/dbraw/zinc/30/70/86/484307086.db2.gz BENUURMHNPCASV-CQSZACIVSA-N 0 3 362.434 -0.380 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000330039705 484307997 /nfs/dbraw/zinc/30/79/97/484307997.db2.gz BDFWEZITQYAODU-CYBMUJFWSA-N 0 3 367.475 -0.244 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000330039706 484307250 /nfs/dbraw/zinc/30/72/50/484307250.db2.gz BDFWEZITQYAODU-ZDUSSCGKSA-N 0 3 367.475 -0.244 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC000330052636 484307595 /nfs/dbraw/zinc/30/75/95/484307595.db2.gz PJFJLHVXBONSTG-AWEZNQCLSA-N 0 3 364.450 -0.134 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC000330052637 484307361 /nfs/dbraw/zinc/30/73/61/484307361.db2.gz PJFJLHVXBONSTG-CQSZACIVSA-N 0 3 364.450 -0.134 20 0 FBADHN CN1C[C@@H]2CN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC000330074016 484308917 /nfs/dbraw/zinc/30/89/17/484308917.db2.gz CNNZDFJXVCGWAX-OKILXGFUSA-N 0 3 365.521 -0.519 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000330100131 484310655 /nfs/dbraw/zinc/31/06/55/484310655.db2.gz DRLMHNPPTXTFPT-CABCVRRESA-N 0 3 365.478 -0.001 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000330100132 484310360 /nfs/dbraw/zinc/31/03/60/484310360.db2.gz DRLMHNPPTXTFPT-GJZGRUSLSA-N 0 3 365.478 -0.001 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000330100133 484310968 /nfs/dbraw/zinc/31/09/68/484310968.db2.gz DRLMHNPPTXTFPT-HUUCEWRRSA-N 0 3 365.478 -0.001 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000330100134 484310606 /nfs/dbraw/zinc/31/06/06/484310606.db2.gz DRLMHNPPTXTFPT-LSDHHAIUSA-N 0 3 365.478 -0.001 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000330102754 484310865 /nfs/dbraw/zinc/31/08/65/484310865.db2.gz GGUQMTBHOSUJAB-DOTOQJQBSA-N 0 3 355.479 -0.219 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000330102755 484310031 /nfs/dbraw/zinc/31/00/31/484310031.db2.gz GGUQMTBHOSUJAB-NVXWUHKLSA-N 0 3 355.479 -0.219 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000330102757 484310513 /nfs/dbraw/zinc/31/05/13/484310513.db2.gz GGUQMTBHOSUJAB-RDJZCZTQSA-N 0 3 355.479 -0.219 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000330102758 484310265 /nfs/dbraw/zinc/31/02/65/484310265.db2.gz GGUQMTBHOSUJAB-WBVHZDCISA-N 0 3 355.479 -0.219 20 0 FBADHN COCCN1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1=O ZINC000330119624 484312343 /nfs/dbraw/zinc/31/23/43/484312343.db2.gz IKBVOUJNWZFSMJ-CABCVRRESA-N 0 3 366.462 -0.754 20 0 FBADHN COCCN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1=O ZINC000330119626 484312899 /nfs/dbraw/zinc/31/28/99/484312899.db2.gz IKBVOUJNWZFSMJ-GJZGRUSLSA-N 0 3 366.462 -0.754 20 0 FBADHN COCCN1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1=O ZINC000330119628 484311934 /nfs/dbraw/zinc/31/19/34/484311934.db2.gz IKBVOUJNWZFSMJ-HUUCEWRRSA-N 0 3 366.462 -0.754 20 0 FBADHN COCCN1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1=O ZINC000330119630 484312753 /nfs/dbraw/zinc/31/27/53/484312753.db2.gz IKBVOUJNWZFSMJ-LSDHHAIUSA-N 0 3 366.462 -0.754 20 0 FBADHN CC(C(=O)N1CCN(CC(C)(C)O)CC1)S(=O)(=O)C1CCOCC1 ZINC000330120812 484311843 /nfs/dbraw/zinc/31/18/43/484311843.db2.gz BGTZGGWHDQXDJI-CYBMUJFWSA-N 0 3 362.492 -0.116 20 0 FBADHN CC(C(=O)N1CCN(CC(C)(C)O)CC1)S(=O)(=O)C1CCOCC1 ZINC000330120813 484312228 /nfs/dbraw/zinc/31/22/28/484312228.db2.gz BGTZGGWHDQXDJI-ZDUSSCGKSA-N 0 3 362.492 -0.116 20 0 FBADHN CCCN1CCC(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330123114 484312657 /nfs/dbraw/zinc/31/26/57/484312657.db2.gz CBPFQNGNWHEYLV-UHFFFAOYSA-N 0 3 368.525 -0.728 20 0 FBADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCN(C)CC1 ZINC000330129676 484312986 /nfs/dbraw/zinc/31/29/86/484312986.db2.gz OLKVHSVNBVFVGR-CVEARBPZSA-N 0 3 351.495 -0.613 20 0 FBADHN C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCN(C)CC1 ZINC000330129678 484312542 /nfs/dbraw/zinc/31/25/42/484312542.db2.gz OLKVHSVNBVFVGR-HOTGVXAUSA-N 0 3 351.495 -0.613 20 0 FBADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCN(C)CC1 ZINC000330129680 484312478 /nfs/dbraw/zinc/31/24/78/484312478.db2.gz OLKVHSVNBVFVGR-HZPDHXFCSA-N 0 3 351.495 -0.613 20 0 FBADHN C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCN(C)CC1 ZINC000330129682 484312598 /nfs/dbraw/zinc/31/25/98/484312598.db2.gz OLKVHSVNBVFVGR-JKSUJKDBSA-N 0 3 351.495 -0.613 20 0 FBADHN CC(C(=O)N1CSC[C@@H]1C(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000330134377 484312693 /nfs/dbraw/zinc/31/26/93/484312693.db2.gz GUJWIFOEAHLDHV-CMPLNLGQSA-N 0 3 364.489 -0.042 20 0 FBADHN CC(C(=O)N1CSC[C@H]1C(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000330134385 484312021 /nfs/dbraw/zinc/31/20/21/484312021.db2.gz GUJWIFOEAHLDHV-JQWIXIFHSA-N 0 3 364.489 -0.042 20 0 FBADHN CC(C(=O)N1CSC[C@H]1C(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000330134387 484312645 /nfs/dbraw/zinc/31/26/45/484312645.db2.gz GUJWIFOEAHLDHV-PWSUYJOCSA-N 0 3 364.489 -0.042 20 0 FBADHN CC(C(=O)N1CSC[C@@H]1C(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000330134389 484312834 /nfs/dbraw/zinc/31/28/34/484312834.db2.gz GUJWIFOEAHLDHV-ZYHUDNBSSA-N 0 3 364.489 -0.042 20 0 FBADHN CCn1cncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330136496 484314239 /nfs/dbraw/zinc/31/42/39/484314239.db2.gz HQFWZMXNQCENHK-CYBMUJFWSA-N 0 3 355.464 -0.170 20 0 FBADHN CCn1cncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330136497 484314654 /nfs/dbraw/zinc/31/46/54/484314654.db2.gz HQFWZMXNQCENHK-ZDUSSCGKSA-N 0 3 355.464 -0.170 20 0 FBADHN CCn1cnc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000330143582 484314343 /nfs/dbraw/zinc/31/43/43/484314343.db2.gz KJBHXELXIQUHJB-CYBMUJFWSA-N 0 3 355.464 -0.170 20 0 FBADHN CCn1cnc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000330143583 484314419 /nfs/dbraw/zinc/31/44/19/484314419.db2.gz KJBHXELXIQUHJB-ZDUSSCGKSA-N 0 3 355.464 -0.170 20 0 FBADHN Cn1nncc1S(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000330163564 658651175 /nfs/dbraw/zinc/65/11/75/658651175.db2.gz SQXNSMCUDBDEOS-UHFFFAOYSA-N 0 3 356.496 -0.147 20 0 FBADHN 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ZINC000330271528 484321117 /nfs/dbraw/zinc/32/11/17/484321117.db2.gz WBDAOMQXOQTGLU-INMHGKMJSA-N 0 3 371.503 -0.525 20 0 FBADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000330271529 484321069 /nfs/dbraw/zinc/32/10/69/484321069.db2.gz WBDAOMQXOQTGLU-UXLLHSPISA-N 0 3 371.503 -0.525 20 0 FBADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000330271530 484321175 /nfs/dbraw/zinc/32/11/75/484321175.db2.gz WBDAOMQXOQTGLU-ZMSDIMECSA-N 0 3 371.503 -0.525 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000330385742 483912982 /nfs/dbraw/zinc/91/29/82/483912982.db2.gz AFIVMGRFQVEFMS-AWEZNQCLSA-N 0 3 360.524 -0.152 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000330385743 483912826 /nfs/dbraw/zinc/91/28/26/483912826.db2.gz AFIVMGRFQVEFMS-CQSZACIVSA-N 0 3 360.524 -0.152 20 0 FBADHN CN(C)CCN(Cc1ccccn1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000330414563 244771072 /nfs/dbraw/zinc/77/10/72/244771072.db2.gz UBBVANHEBZYQGW-UHFFFAOYSA-N 0 3 369.491 -0.113 20 0 FBADHN CCCS(=O)(=O)NC1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000330424512 483913896 /nfs/dbraw/zinc/91/38/96/483913896.db2.gz HRFYDLYFVPKZNZ-UHFFFAOYSA-N 0 3 360.524 -0.056 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000330432549 484427646 /nfs/dbraw/zinc/42/76/46/484427646.db2.gz KHZUHECRXHVVIR-CYBMUJFWSA-N 0 3 357.480 0.445 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000330432550 484426531 /nfs/dbraw/zinc/42/65/31/484426531.db2.gz KHZUHECRXHVVIR-ZDUSSCGKSA-N 0 3 357.480 0.445 20 0 FBADHN CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)N(C)C ZINC000330433456 483915147 /nfs/dbraw/zinc/91/51/47/483915147.db2.gz NWOJIVFMWRUSDS-LLVKDONJSA-N 0 3 372.447 -0.448 20 0 FBADHN CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)N(C)C ZINC000330433457 483915489 /nfs/dbraw/zinc/91/54/89/483915489.db2.gz NWOJIVFMWRUSDS-NSHDSACASA-N 0 3 372.447 -0.448 20 0 FBADHN CNS(=O)(=O)NCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000330443929 483917880 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CCS(=O)(=O)N1CCC[C@H](C(=O)NCC2CCN(CCO)CC2)C1 ZINC000330487403 483918160 /nfs/dbraw/zinc/91/81/60/483918160.db2.gz GKBJRGWKULBCNF-HNNXBMFYSA-N 0 3 361.508 -0.131 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC2CCN(CCO)CC2)C1 ZINC000330487404 483917895 /nfs/dbraw/zinc/91/78/95/483917895.db2.gz GKBJRGWKULBCNF-OAHLLOKOSA-N 0 3 361.508 -0.131 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(CCO)CC2)o1 ZINC000330489956 483917853 /nfs/dbraw/zinc/91/78/53/483917853.db2.gz LHXRDUUSCNDQCR-UHFFFAOYSA-N 0 3 359.448 -0.036 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330501457 483920840 /nfs/dbraw/zinc/92/08/40/483920840.db2.gz ARJKRCKFMJNLOZ-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330501458 483920930 /nfs/dbraw/zinc/92/09/30/483920930.db2.gz ARJKRCKFMJNLOZ-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000330504589 483920641 /nfs/dbraw/zinc/92/06/41/483920641.db2.gz 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484335203 /nfs/dbraw/zinc/33/52/03/484335203.db2.gz KMJRBYJDEJRLDU-QWHCGFSZSA-N 0 3 354.476 -0.627 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC000331522814 484336621 /nfs/dbraw/zinc/33/66/21/484336621.db2.gz KMJRBYJDEJRLDU-STQMWFEESA-N 0 3 354.476 -0.627 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000331526602 484335462 /nfs/dbraw/zinc/33/54/62/484335462.db2.gz GOAUICGFPALTRM-GFCCVEGCSA-N 0 3 374.445 -0.210 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000331526606 484335944 /nfs/dbraw/zinc/33/59/44/484335944.db2.gz GOAUICGFPALTRM-LBPRGKRZSA-N 0 3 374.445 -0.210 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)CCN1 ZINC000331526898 484336213 /nfs/dbraw/zinc/33/62/13/484336213.db2.gz OLUMTGVPZUISBG-HNNXBMFYSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)CCN1 ZINC000331526900 484335844 /nfs/dbraw/zinc/33/58/44/484335844.db2.gz OLUMTGVPZUISBG-OAHLLOKOSA-N 0 3 352.479 -0.232 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cn1C ZINC000331528580 484336531 /nfs/dbraw/zinc/33/65/31/484336531.db2.gz OWXCJQQSJQZBJH-CYBMUJFWSA-N 0 3 357.480 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([NH+](C)C)CC2)cn1C ZINC000331528592 484336393 /nfs/dbraw/zinc/33/63/93/484336393.db2.gz OWXCJQQSJQZBJH-ZDUSSCGKSA-N 0 3 357.480 -0.050 20 0 FBADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000331529622 484335871 /nfs/dbraw/zinc/33/58/71/484335871.db2.gz GTRNTLWCYFGYLS-HZSPNIEDSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000331529656 484335641 /nfs/dbraw/zinc/33/56/41/484335641.db2.gz GTRNTLWCYFGYLS-IHRRRGAJSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000331529676 484336514 /nfs/dbraw/zinc/33/65/14/484336514.db2.gz GTRNTLWCYFGYLS-MELADBBJSA-N 0 3 357.476 -0.425 20 0 FBADHN 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ZINC000331553564 484337999 /nfs/dbraw/zinc/33/79/99/484337999.db2.gz JRTXTWRKBXLWNK-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000331553566 484338524 /nfs/dbraw/zinc/33/85/24/484338524.db2.gz JRTXTWRKBXLWNK-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000331553568 484338480 /nfs/dbraw/zinc/33/84/80/484338480.db2.gz JRTXTWRKBXLWNK-OWCLPIDISA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000331553571 484337612 /nfs/dbraw/zinc/33/76/12/484337612.db2.gz JRTXTWRKBXLWNK-PMPSAXMXSA-N 0 3 352.479 -0.234 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C)C(=O)N1CCOCC1 ZINC000331553984 484337445 /nfs/dbraw/zinc/33/74/45/484337445.db2.gz RZIXOLBGZNVSNX-ILXRZTDVSA-N 0 3 366.462 -0.565 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C)C(=O)N1CCOCC1 ZINC000331553988 484338361 /nfs/dbraw/zinc/33/83/61/484338361.db2.gz RZIXOLBGZNVSNX-KFWWJZLASA-N 0 3 366.462 -0.565 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C)C(=O)N1CCOCC1 ZINC000331553994 484338263 /nfs/dbraw/zinc/33/82/63/484338263.db2.gz RZIXOLBGZNVSNX-KKUMJFAQSA-N 0 3 366.462 -0.565 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C)C(=O)N1CCOCC1 ZINC000331553998 484338110 /nfs/dbraw/zinc/33/81/10/484338110.db2.gz RZIXOLBGZNVSNX-ZNMIVQPWSA-N 0 3 366.462 -0.565 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)N1CCCCC1 ZINC000331555493 484337408 /nfs/dbraw/zinc/33/74/08/484337408.db2.gz JTKLYVFCCQSRCW-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)N1CCCCC1 ZINC000331555500 484337628 /nfs/dbraw/zinc/33/76/28/484337628.db2.gz JTKLYVFCCQSRCW-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000331557239 484338450 /nfs/dbraw/zinc/33/84/50/484338450.db2.gz GEAIDQQNABIGBL-CVEARBPZSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000331557243 484337746 /nfs/dbraw/zinc/33/77/46/484337746.db2.gz GEAIDQQNABIGBL-HOTGVXAUSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000331557246 484337260 /nfs/dbraw/zinc/33/72/60/484337260.db2.gz GEAIDQQNABIGBL-HZPDHXFCSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000331557249 484338082 /nfs/dbraw/zinc/33/80/82/484338082.db2.gz GEAIDQQNABIGBL-JKSUJKDBSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(CCCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000331559365 484339896 /nfs/dbraw/zinc/33/98/96/484339896.db2.gz KDNZFVCLHPUDKU-UHFFFAOYSA-N 0 3 360.418 -0.599 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000331560972 484340350 /nfs/dbraw/zinc/34/03/50/484340350.db2.gz BGRQAHSPPLDIQV-HNNXBMFYSA-N 0 3 365.478 -0.907 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000331560977 484340187 /nfs/dbraw/zinc/34/01/87/484340187.db2.gz BGRQAHSPPLDIQV-OAHLLOKOSA-N 0 3 365.478 -0.907 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1C ZINC000331562809 484339104 /nfs/dbraw/zinc/33/91/04/484339104.db2.gz UAALLPCDRYIJGD-CVEARBPZSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1C ZINC000331562811 484340101 /nfs/dbraw/zinc/34/01/01/484340101.db2.gz UAALLPCDRYIJGD-HOTGVXAUSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1C ZINC000331562815 484339731 /nfs/dbraw/zinc/33/97/31/484339731.db2.gz UAALLPCDRYIJGD-HZPDHXFCSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1C ZINC000331562818 484339212 /nfs/dbraw/zinc/33/92/12/484339212.db2.gz UAALLPCDRYIJGD-JKSUJKDBSA-N 0 3 367.494 -0.345 20 0 FBADHN CON1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000331565413 244861744 /nfs/dbraw/zinc/86/17/44/244861744.db2.gz CGTVZQGRKMWUFD-UHFFFAOYSA-N 0 3 353.467 -0.038 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000331573888 484340207 /nfs/dbraw/zinc/34/02/07/484340207.db2.gz DOOHTHMMAARWNF-HNNXBMFYSA-N 0 3 365.478 -0.907 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000331573891 484339672 /nfs/dbraw/zinc/33/96/72/484339672.db2.gz DOOHTHMMAARWNF-OAHLLOKOSA-N 0 3 365.478 -0.907 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCN3CCCC[C@H]3C2)CC1(C)C ZINC000331574577 484339425 /nfs/dbraw/zinc/33/94/25/484339425.db2.gz LZRLDIOGEJMZTK-INIZCTEOSA-N 0 3 365.522 -0.175 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)CC1(C)C ZINC000331574581 484340041 /nfs/dbraw/zinc/34/00/41/484340041.db2.gz LZRLDIOGEJMZTK-MRXNPFEDSA-N 0 3 365.522 -0.175 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CCSC1 ZINC000331577022 484339294 /nfs/dbraw/zinc/33/92/94/484339294.db2.gz VCMCEOZOIUMEBZ-AHIWAGSCSA-N 0 3 368.503 -0.191 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCSC1 ZINC000331577026 484339577 /nfs/dbraw/zinc/33/95/77/484339577.db2.gz VCMCEOZOIUMEBZ-DCGLDWPTSA-N 0 3 368.503 -0.191 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCSC1 ZINC000331577029 484339784 /nfs/dbraw/zinc/33/97/84/484339784.db2.gz VCMCEOZOIUMEBZ-IGCXYCKISA-N 0 3 368.503 -0.191 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCSC1 ZINC000331577033 484339366 /nfs/dbraw/zinc/33/93/66/484339366.db2.gz VCMCEOZOIUMEBZ-XNJGSVPQSA-N 0 3 368.503 -0.191 20 0 FBADHN C[C@H]1CSCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331577844 484339236 /nfs/dbraw/zinc/33/92/36/484339236.db2.gz FFPKOGONDYPKGS-AWEZNQCLSA-N 0 3 368.503 -0.283 20 0 FBADHN C[C@@H]1CSCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331577847 484339491 /nfs/dbraw/zinc/33/94/91/484339491.db2.gz FFPKOGONDYPKGS-CQSZACIVSA-N 0 3 368.503 -0.283 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CS1 ZINC000331578133 484341136 /nfs/dbraw/zinc/34/11/36/484341136.db2.gz AIXMNJAUMJCVJJ-HZSPNIEDSA-N 0 3 368.503 -0.238 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CS1 ZINC000331578158 484341594 /nfs/dbraw/zinc/34/15/94/484341594.db2.gz AIXMNJAUMJCVJJ-MCIONIFRSA-N 0 3 368.503 -0.238 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CS1 ZINC000331578168 484340875 /nfs/dbraw/zinc/34/08/75/484340875.db2.gz AIXMNJAUMJCVJJ-MGPQQGTHSA-N 0 3 368.503 -0.238 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CS1 ZINC000331578177 484341740 /nfs/dbraw/zinc/34/17/40/484341740.db2.gz AIXMNJAUMJCVJJ-RDBSUJKOSA-N 0 3 368.503 -0.238 20 0 FBADHN CS(=O)(=O)N1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000331581175 484342165 /nfs/dbraw/zinc/34/21/65/484342165.db2.gz WODVGZYAMHBPIJ-CYBMUJFWSA-N 0 3 360.480 -0.886 20 0 FBADHN CS(=O)(=O)N1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000331581177 484342193 /nfs/dbraw/zinc/34/21/93/484342193.db2.gz WODVGZYAMHBPIJ-ZDUSSCGKSA-N 0 3 360.480 -0.886 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000331585354 484341296 /nfs/dbraw/zinc/34/12/96/484341296.db2.gz MMZNOSCJQOEGKN-OWCLPIDISA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@H](C)O1 ZINC000331585355 484340966 /nfs/dbraw/zinc/34/09/66/484340966.db2.gz MMZNOSCJQOEGKN-XHSDSOJGSA-N 0 3 352.479 -0.139 20 0 FBADHN CCN1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000331588486 484341666 /nfs/dbraw/zinc/34/16/66/484341666.db2.gz XWFLQUOBAGZKSY-UHFFFAOYSA-N 0 3 367.494 -0.343 20 0 FBADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000331589214 484341468 /nfs/dbraw/zinc/34/14/68/484341468.db2.gz ISGGNGDYRGZUOC-KBPBESRZSA-N 0 3 368.478 -0.068 20 0 FBADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000331589223 244864765 /nfs/dbraw/zinc/86/47/65/244864765.db2.gz ISGGNGDYRGZUOC-KGLIPLIRSA-N 0 3 368.478 -0.068 20 0 FBADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000331589225 244864939 /nfs/dbraw/zinc/86/49/39/244864939.db2.gz ISGGNGDYRGZUOC-UONOGXRCSA-N 0 3 368.478 -0.068 20 0 FBADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000331589228 484341700 /nfs/dbraw/zinc/34/17/00/484341700.db2.gz ISGGNGDYRGZUOC-ZIAGYGMSSA-N 0 3 368.478 -0.068 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000331590930 484340989 /nfs/dbraw/zinc/34/09/89/484340989.db2.gz YLPGTTURFPCYLZ-HNNXBMFYSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000331590932 484341824 /nfs/dbraw/zinc/34/18/24/484341824.db2.gz YLPGTTURFPCYLZ-OAHLLOKOSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CCSC1 ZINC000331598073 484342596 /nfs/dbraw/zinc/34/25/96/484342596.db2.gz MNBNVUTZYDHYDM-IOASZLSFSA-N 0 3 356.492 -0.919 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CCSC1 ZINC000331598118 484342610 /nfs/dbraw/zinc/34/26/10/484342610.db2.gz MNBNVUTZYDHYDM-WOSRLPQWSA-N 0 3 356.492 -0.919 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CCSC1 ZINC000331598130 484342829 /nfs/dbraw/zinc/34/28/29/484342829.db2.gz MNBNVUTZYDHYDM-XJKCOSOUSA-N 0 3 356.492 -0.919 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CCSC1 ZINC000331598143 484342736 /nfs/dbraw/zinc/34/27/36/484342736.db2.gz MNBNVUTZYDHYDM-ZENOOKHLSA-N 0 3 356.492 -0.919 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CCSC1 ZINC000331599433 484342871 /nfs/dbraw/zinc/34/28/71/484342871.db2.gz VBGRXMQIZGJWCG-KBPBESRZSA-N 0 3 368.503 -0.285 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CCSC1 ZINC000331599434 484342752 /nfs/dbraw/zinc/34/27/52/484342752.db2.gz VBGRXMQIZGJWCG-KGLIPLIRSA-N 0 3 368.503 -0.285 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CCSC1 ZINC000331599435 484343155 /nfs/dbraw/zinc/34/31/55/484343155.db2.gz VBGRXMQIZGJWCG-UONOGXRCSA-N 0 3 368.503 -0.285 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CCSC1 ZINC000331599438 484342687 /nfs/dbraw/zinc/34/26/87/484342687.db2.gz VBGRXMQIZGJWCG-ZIAGYGMSSA-N 0 3 368.503 -0.285 20 0 FBADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000331602785 484343083 /nfs/dbraw/zinc/34/30/83/484343083.db2.gz JOIOBRHZACCWBG-HNNXBMFYSA-N 0 3 361.512 -0.054 20 0 FBADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000331602792 484343399 /nfs/dbraw/zinc/34/33/99/484343399.db2.gz JOIOBRHZACCWBG-OAHLLOKOSA-N 0 3 361.512 -0.054 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)N1CCC(C)CC1 ZINC000331615806 484343125 /nfs/dbraw/zinc/34/31/25/484343125.db2.gz QOHUXPLACZGTPJ-CVEARBPZSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)N1CCC(C)CC1 ZINC000331615818 484343364 /nfs/dbraw/zinc/34/33/64/484343364.db2.gz QOHUXPLACZGTPJ-HOTGVXAUSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)N1CCC(C)CC1 ZINC000331615821 484343494 /nfs/dbraw/zinc/34/34/94/484343494.db2.gz QOHUXPLACZGTPJ-HZPDHXFCSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)N1CCC(C)CC1 ZINC000331615825 484342997 /nfs/dbraw/zinc/34/29/97/484342997.db2.gz QOHUXPLACZGTPJ-JKSUJKDBSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331619895 484344239 /nfs/dbraw/zinc/34/42/39/484344239.db2.gz LNKPFJZNKHZUEF-AWEZNQCLSA-N 0 3 352.435 -1.000 20 0 FBADHN C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331619900 484345371 /nfs/dbraw/zinc/34/53/71/484345371.db2.gz LNKPFJZNKHZUEF-CQSZACIVSA-N 0 3 352.435 -1.000 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331621822 484345005 /nfs/dbraw/zinc/34/50/05/484345005.db2.gz LULHYBZFKBITGG-CABCVRRESA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]1C ZINC000331621829 244867167 /nfs/dbraw/zinc/86/71/67/244867167.db2.gz LULHYBZFKBITGG-GJZGRUSLSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1OCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]1C ZINC000331621838 484344455 /nfs/dbraw/zinc/34/44/55/484344455.db2.gz LULHYBZFKBITGG-HUUCEWRRSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1OCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]1C ZINC000331621844 484344442 /nfs/dbraw/zinc/34/44/42/484344442.db2.gz LULHYBZFKBITGG-LSDHHAIUSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)O1 ZINC000331622046 484344969 /nfs/dbraw/zinc/34/49/69/484344969.db2.gz LWBQIHIIZCJVIB-GASCZTMLSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)O1 ZINC000331622051 484344375 /nfs/dbraw/zinc/34/43/75/484344375.db2.gz LWBQIHIIZCJVIB-GJZGRUSLSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)O1 ZINC000331622056 484344111 /nfs/dbraw/zinc/34/41/11/484344111.db2.gz LWBQIHIIZCJVIB-HUUCEWRRSA-N 0 3 366.462 -0.611 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CCO1 ZINC000331622611 484345222 /nfs/dbraw/zinc/34/52/22/484345222.db2.gz SIIZGPDJBSDWRW-CKEIUWERSA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CCO1 ZINC000331623961 484345398 /nfs/dbraw/zinc/34/53/98/484345398.db2.gz SIIZGPDJBSDWRW-CPUCHLNUSA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CCO1 ZINC000331623965 484345303 /nfs/dbraw/zinc/34/53/03/484345303.db2.gz SIIZGPDJBSDWRW-JJRVBVJISA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CCO1 ZINC000331623968 244866886 /nfs/dbraw/zinc/86/68/86/244866886.db2.gz SIIZGPDJBSDWRW-VBQJREDUSA-N 0 3 371.503 -0.054 20 0 FBADHN CCN1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000331631622 484345095 /nfs/dbraw/zinc/34/50/95/484345095.db2.gz NQVOEBOQLQIPBP-HNNXBMFYSA-N 0 3 353.467 -0.733 20 0 FBADHN CCN1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000331631627 484344324 /nfs/dbraw/zinc/34/43/24/484344324.db2.gz NQVOEBOQLQIPBP-OAHLLOKOSA-N 0 3 353.467 -0.733 20 0 FBADHN C[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331633520 484345193 /nfs/dbraw/zinc/34/51/93/484345193.db2.gz NUTHRMTYUOITFJ-GOSISDBHSA-N 0 3 366.462 -0.874 20 0 FBADHN C[C@]1(O)CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331633521 484344560 /nfs/dbraw/zinc/34/45/60/484344560.db2.gz NUTHRMTYUOITFJ-SFHVURJKSA-N 0 3 366.462 -0.874 20 0 FBADHN CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000331633672 484345349 /nfs/dbraw/zinc/34/53/49/484345349.db2.gz WFHHERDEUOUYSA-ARFHVFGLSA-N 0 3 373.519 -0.135 20 0 FBADHN CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000331633673 484344152 /nfs/dbraw/zinc/34/41/52/484344152.db2.gz WFHHERDEUOUYSA-BZUAXINKSA-N 0 3 373.519 -0.135 20 0 FBADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000331633675 484344945 /nfs/dbraw/zinc/34/49/45/484344945.db2.gz WFHHERDEUOUYSA-HRCADAONSA-N 0 3 373.519 -0.135 20 0 FBADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000331633678 484345266 /nfs/dbraw/zinc/34/52/66/484345266.db2.gz WFHHERDEUOUYSA-OWCLPIDISA-N 0 3 373.519 -0.135 20 0 FBADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@](C)(O)CN(C)C)C2=O ZINC000331636599 484346811 /nfs/dbraw/zinc/34/68/11/484346811.db2.gz MFYXLIAZELTAMJ-CSMYWGQOSA-N 0 3 354.451 -0.084 20 0 FBADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@](C)(O)CN(C)C)C2=O ZINC000331636600 484346587 /nfs/dbraw/zinc/34/65/87/484346587.db2.gz MFYXLIAZELTAMJ-DQYPLSBCSA-N 0 3 354.451 -0.084 20 0 FBADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@](C)(O)CN(C)C)C2=O ZINC000331636601 484346785 /nfs/dbraw/zinc/34/67/85/484346785.db2.gz MFYXLIAZELTAMJ-JLZZUVOBSA-N 0 3 354.451 -0.084 20 0 FBADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@](C)(O)CN(C)C)C2=O ZINC000331636602 484346929 /nfs/dbraw/zinc/34/69/29/484346929.db2.gz MFYXLIAZELTAMJ-OAUYIBNBSA-N 0 3 354.451 -0.084 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCN1C ZINC000331637289 484346731 /nfs/dbraw/zinc/34/67/31/484346731.db2.gz ONBLVVVNUVNLOX-CABCVRRESA-N 0 3 365.478 -0.055 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCN1C ZINC000331637291 484345921 /nfs/dbraw/zinc/34/59/21/484345921.db2.gz ONBLVVVNUVNLOX-GJZGRUSLSA-N 0 3 365.478 -0.055 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCN1C ZINC000331637292 484346692 /nfs/dbraw/zinc/34/66/92/484346692.db2.gz ONBLVVVNUVNLOX-HUUCEWRRSA-N 0 3 365.478 -0.055 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCN1C ZINC000331637294 484347054 /nfs/dbraw/zinc/34/70/54/484347054.db2.gz ONBLVVVNUVNLOX-LSDHHAIUSA-N 0 3 365.478 -0.055 20 0 FBADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331640123 484347146 /nfs/dbraw/zinc/34/71/46/484347146.db2.gz TUDLBSKXPSPQIL-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331640126 484346481 /nfs/dbraw/zinc/34/64/81/484346481.db2.gz TUDLBSKXPSPQIL-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331642889 484346948 /nfs/dbraw/zinc/34/69/48/484346948.db2.gz JNUKWWRTKCODIS-KBXCAEBGSA-N 0 3 366.462 -0.698 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331642901 484346876 /nfs/dbraw/zinc/34/68/76/484346876.db2.gz JNUKWWRTKCODIS-KDOFPFPSSA-N 0 3 366.462 -0.698 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331642905 484347004 /nfs/dbraw/zinc/34/70/04/484347004.db2.gz JNUKWWRTKCODIS-KSSFIOAISA-N 0 3 366.462 -0.698 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331642911 484345828 /nfs/dbraw/zinc/34/58/28/484345828.db2.gz JNUKWWRTKCODIS-RDTXWAMCSA-N 0 3 366.462 -0.698 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000331644312 484346355 /nfs/dbraw/zinc/34/63/55/484346355.db2.gz QBOGZDVGHZGGOC-AWEZNQCLSA-N 0 3 352.435 -1.000 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000331644316 484346615 /nfs/dbraw/zinc/34/66/15/484346615.db2.gz QBOGZDVGHZGGOC-CQSZACIVSA-N 0 3 352.435 -1.000 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000331644372 484346502 /nfs/dbraw/zinc/34/65/02/484346502.db2.gz YDLUVOCATGAOFW-ARFHVFGLSA-N 0 3 373.519 -0.135 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000331645156 484346005 /nfs/dbraw/zinc/34/60/05/484346005.db2.gz YDLUVOCATGAOFW-BZUAXINKSA-N 0 3 373.519 -0.135 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000331645161 484346311 /nfs/dbraw/zinc/34/63/11/484346311.db2.gz YDLUVOCATGAOFW-HRCADAONSA-N 0 3 373.519 -0.135 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000331645165 484346710 /nfs/dbraw/zinc/34/67/10/484346710.db2.gz YDLUVOCATGAOFW-OWCLPIDISA-N 0 3 373.519 -0.135 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCSCC2)CC1 ZINC000331649103 484348535 /nfs/dbraw/zinc/34/85/35/484348535.db2.gz QUTGKJTZGSEGSG-UHFFFAOYSA-N 0 3 354.476 -0.672 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000331649195 484347902 /nfs/dbraw/zinc/34/79/02/484347902.db2.gz VEZAHNQWWFMUSZ-CABCVRRESA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000331649199 484349148 /nfs/dbraw/zinc/34/91/48/484349148.db2.gz VEZAHNQWWFMUSZ-GJZGRUSLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000331649203 484348479 /nfs/dbraw/zinc/34/84/79/484348479.db2.gz VEZAHNQWWFMUSZ-HUUCEWRRSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000331649209 484348882 /nfs/dbraw/zinc/34/88/82/484348882.db2.gz VEZAHNQWWFMUSZ-LSDHHAIUSA-N 0 3 352.479 -0.092 20 0 FBADHN CC[C@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331652022 484348575 /nfs/dbraw/zinc/34/85/75/484348575.db2.gz RLKBVXBSHSXYGZ-HNNXBMFYSA-N 0 3 366.462 -0.610 20 0 FBADHN CC[C@@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331652024 484348587 /nfs/dbraw/zinc/34/85/87/484348587.db2.gz RLKBVXBSHSXYGZ-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)N(C)C1 ZINC000331656015 484347930 /nfs/dbraw/zinc/34/79/30/484347930.db2.gz POKXQERXTNCEBL-FZKCQIBNSA-N 0 3 352.479 -0.141 20 0 FBADHN CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)N(C)C1 ZINC000331656022 484348769 /nfs/dbraw/zinc/34/87/69/484348769.db2.gz POKXQERXTNCEBL-UGUYLWEFSA-N 0 3 352.479 -0.141 20 0 FBADHN CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)N(C)C1 ZINC000331656073 484348107 /nfs/dbraw/zinc/34/81/07/484348107.db2.gz POKXQERXTNCEBL-VGWMRTNUSA-N 0 3 352.479 -0.141 20 0 FBADHN CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)N(C)C1 ZINC000331656075 484347879 /nfs/dbraw/zinc/34/78/79/484347879.db2.gz POKXQERXTNCEBL-WCVJEAGWSA-N 0 3 352.479 -0.141 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000331656639 484348604 /nfs/dbraw/zinc/34/86/04/484348604.db2.gz SOHWVMWMGRWZJW-HNNXBMFYSA-N 0 3 366.462 -0.610 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000331656644 484349081 /nfs/dbraw/zinc/34/90/81/484349081.db2.gz SOHWVMWMGRWZJW-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331662918 484350190 /nfs/dbraw/zinc/35/01/90/484350190.db2.gz UVHSOIKLIXXIKM-CABCVRRESA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H](C)CO1 ZINC000331662927 484350644 /nfs/dbraw/zinc/35/06/44/484350644.db2.gz UVHSOIKLIXXIKM-GJZGRUSLSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H](C)CO1 ZINC000331662934 484350490 /nfs/dbraw/zinc/35/04/90/484350490.db2.gz UVHSOIKLIXXIKM-HUUCEWRRSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H](C)CO1 ZINC000331662943 484350077 /nfs/dbraw/zinc/35/00/77/484350077.db2.gz UVHSOIKLIXXIKM-LSDHHAIUSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000331666794 484350348 /nfs/dbraw/zinc/35/03/48/484350348.db2.gz RENHNVAKWSDLCH-BFHYXJOUSA-N 0 3 372.491 -0.778 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000331666795 484350402 /nfs/dbraw/zinc/35/04/02/484350402.db2.gz RENHNVAKWSDLCH-MCIONIFRSA-N 0 3 372.491 -0.778 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000331666796 484350310 /nfs/dbraw/zinc/35/03/10/484350310.db2.gz RENHNVAKWSDLCH-MGPQQGTHSA-N 0 3 372.491 -0.778 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000331666797 484350757 /nfs/dbraw/zinc/35/07/57/484350757.db2.gz RENHNVAKWSDLCH-MJBXVCDLSA-N 0 3 372.491 -0.778 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCS1 ZINC000331667527 484350334 /nfs/dbraw/zinc/35/03/34/484350334.db2.gz VQIFWGIBILIYLF-AWEZNQCLSA-N 0 3 368.503 -0.283 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCS1 ZINC000331667529 484350726 /nfs/dbraw/zinc/35/07/26/484350726.db2.gz VQIFWGIBILIYLF-CQSZACIVSA-N 0 3 368.503 -0.283 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C(=O)N1CCOCC1 ZINC000331669339 484350430 /nfs/dbraw/zinc/35/04/30/484350430.db2.gz YPAIZIXBRVLUDA-KBPBESRZSA-N 0 3 352.435 -0.953 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C(=O)N1CCOCC1 ZINC000331669343 484350633 /nfs/dbraw/zinc/35/06/33/484350633.db2.gz YPAIZIXBRVLUDA-KGLIPLIRSA-N 0 3 352.435 -0.953 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C(=O)N1CCOCC1 ZINC000331669346 484350707 /nfs/dbraw/zinc/35/07/07/484350707.db2.gz YPAIZIXBRVLUDA-UONOGXRCSA-N 0 3 352.435 -0.953 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C(=O)N1CCOCC1 ZINC000331669348 484350565 /nfs/dbraw/zinc/35/05/65/484350565.db2.gz YPAIZIXBRVLUDA-ZIAGYGMSSA-N 0 3 352.435 -0.953 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000331676832 484350146 /nfs/dbraw/zinc/35/01/46/484350146.db2.gz QRAJWPRUZCQVLJ-CYBMUJFWSA-N 0 3 353.510 -0.327 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000331677817 484350676 /nfs/dbraw/zinc/35/06/76/484350676.db2.gz QRAJWPRUZCQVLJ-ZDUSSCGKSA-N 0 3 353.510 -0.327 20 0 FBADHN 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/nfs/dbraw/zinc/35/33/63/484353363.db2.gz YDSSVSFNRRHFOZ-ILXRZTDVSA-N 0 3 366.462 -0.565 20 0 FBADHN CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331703243 484353503 /nfs/dbraw/zinc/35/35/03/484353503.db2.gz YDSSVSFNRRHFOZ-KFWWJZLASA-N 0 3 366.462 -0.565 20 0 FBADHN C[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331703346 484353077 /nfs/dbraw/zinc/35/30/77/484353077.db2.gz YKHFFIMATKJFMW-BFHYXJOUSA-N 0 3 352.435 -0.955 20 0 FBADHN C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331703347 484353491 /nfs/dbraw/zinc/35/34/91/484353491.db2.gz YKHFFIMATKJFMW-IHRRRGAJSA-N 0 3 352.435 -0.955 20 0 FBADHN C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331703348 484352676 /nfs/dbraw/zinc/35/26/76/484352676.db2.gz YKHFFIMATKJFMW-MELADBBJSA-N 0 3 352.435 -0.955 20 0 FBADHN C[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331703349 484353651 /nfs/dbraw/zinc/35/36/51/484353651.db2.gz YKHFFIMATKJFMW-MJBXVCDLSA-N 0 3 352.435 -0.955 20 0 FBADHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000331704935 484353279 /nfs/dbraw/zinc/35/32/79/484353279.db2.gz ZSUZSRAQMGNPRT-HRCADAONSA-N 0 3 352.479 -0.139 20 0 FBADHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000331704936 484352864 /nfs/dbraw/zinc/35/28/64/484352864.db2.gz ZSUZSRAQMGNPRT-OWCLPIDISA-N 0 3 352.479 -0.139 20 0 FBADHN CC(=O)N1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000331710283 484353018 /nfs/dbraw/zinc/35/30/18/484353018.db2.gz YEYYYPYEOTWVGO-INIZCTEOSA-N 0 3 356.492 -0.379 20 0 FBADHN CC(=O)N1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000331710284 244875227 /nfs/dbraw/zinc/87/52/27/244875227.db2.gz YEYYYPYEOTWVGO-MRXNPFEDSA-N 0 3 356.492 -0.379 20 0 FBADHN CS[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1N(C)C ZINC000331720112 484354806 /nfs/dbraw/zinc/35/48/06/484354806.db2.gz KABIRZUSPLMKNU-NEPJUHHUSA-N 0 3 366.491 -0.589 20 0 FBADHN CS[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1N(C)C ZINC000331720116 484354563 /nfs/dbraw/zinc/35/45/63/484354563.db2.gz KABIRZUSPLMKNU-NWDGAFQWSA-N 0 3 366.491 -0.589 20 0 FBADHN CS[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1N(C)C ZINC000331720117 484354537 /nfs/dbraw/zinc/35/45/37/484354537.db2.gz KABIRZUSPLMKNU-RYUDHWBXSA-N 0 3 366.491 -0.589 20 0 FBADHN CS[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1N(C)C ZINC000331720118 484354826 /nfs/dbraw/zinc/35/48/26/484354826.db2.gz KABIRZUSPLMKNU-VXGBXAGGSA-N 0 3 366.491 -0.589 20 0 FBADHN COC[C@@H]1C[C@@H](OC)CN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000331732484 484355109 /nfs/dbraw/zinc/35/51/09/484355109.db2.gz RXOBFLCTIFKPLT-NWDGAFQWSA-N 0 3 351.407 -0.831 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC000331732550 484354482 /nfs/dbraw/zinc/35/44/82/484354482.db2.gz RZQFSXZJDACPDH-JTQLQIEISA-N 0 3 368.415 -0.596 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC000331732574 484354658 /nfs/dbraw/zinc/35/46/58/484354658.db2.gz RZQFSXZJDACPDH-SNVBAGLBSA-N 0 3 368.415 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C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C[C@@H]1N(C)C ZINC000331761725 484355815 /nfs/dbraw/zinc/35/58/15/484355815.db2.gz FBNNOPDMDGXPCI-IKGGRYGDSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C[C@H]1N(C)C ZINC000331761726 484356875 /nfs/dbraw/zinc/35/68/75/484356875.db2.gz FBNNOPDMDGXPCI-IXDOHACOSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C[C@@H]1N(C)C ZINC000331761727 484356326 /nfs/dbraw/zinc/35/63/26/484356326.db2.gz FBNNOPDMDGXPCI-ZACQAIPSSA-N 0 3 366.506 -0.034 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CCN1 ZINC000331762534 484356773 /nfs/dbraw/zinc/35/67/73/484356773.db2.gz CBKDWHIRZILTHJ-HNNXBMFYSA-N 0 3 352.479 -0.232 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CCN1 ZINC000331762535 484356869 /nfs/dbraw/zinc/35/68/69/484356869.db2.gz CBKDWHIRZILTHJ-OAHLLOKOSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)[C@H](C)CN1 ZINC000331765742 484356068 /nfs/dbraw/zinc/35/60/68/484356068.db2.gz CUFWFRBHRPYYLJ-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)[C@H](C)CN1 ZINC000331765745 484356693 /nfs/dbraw/zinc/35/66/93/484356693.db2.gz CUFWFRBHRPYYLJ-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)[C@@H](C)CN1 ZINC000331765747 484356612 /nfs/dbraw/zinc/35/66/12/484356612.db2.gz CUFWFRBHRPYYLJ-OWCLPIDISA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)[C@@H](C)CN1 ZINC000331765749 484356480 /nfs/dbraw/zinc/35/64/80/484356480.db2.gz CUFWFRBHRPYYLJ-PMPSAXMXSA-N 0 3 352.479 -0.234 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000331773190 484356953 /nfs/dbraw/zinc/35/69/53/484356953.db2.gz FKWKNTCQNISWBD-CABCVRRESA-N 0 3 366.462 -0.576 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000331773192 484356926 /nfs/dbraw/zinc/35/69/26/484356926.db2.gz FKWKNTCQNISWBD-GJZGRUSLSA-N 0 3 366.462 -0.576 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000331773196 484356377 /nfs/dbraw/zinc/35/63/77/484356377.db2.gz FKWKNTCQNISWBD-HUUCEWRRSA-N 0 3 366.462 -0.576 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000331773198 484356996 /nfs/dbraw/zinc/35/69/96/484356996.db2.gz FKWKNTCQNISWBD-LSDHHAIUSA-N 0 3 366.462 -0.576 20 0 FBADHN CS[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000331798970 484359770 /nfs/dbraw/zinc/35/97/70/484359770.db2.gz AVWMLRNKMANWQM-KBPBESRZSA-N 0 3 368.503 -0.285 20 0 FBADHN CS[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000331798972 484359500 /nfs/dbraw/zinc/35/95/00/484359500.db2.gz AVWMLRNKMANWQM-KGLIPLIRSA-N 0 3 368.503 -0.285 20 0 FBADHN CS[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000331798974 484359678 /nfs/dbraw/zinc/35/96/78/484359678.db2.gz AVWMLRNKMANWQM-UONOGXRCSA-N 0 3 368.503 -0.285 20 0 FBADHN CS[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000331798976 484359784 /nfs/dbraw/zinc/35/97/84/484359784.db2.gz AVWMLRNKMANWQM-ZIAGYGMSSA-N 0 3 368.503 -0.285 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000331823853 484105109 /nfs/dbraw/zinc/10/51/09/484105109.db2.gz ICZIRIHIHBQAOU-AWEZNQCLSA-N 0 3 364.450 0.300 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000331823855 484105604 /nfs/dbraw/zinc/10/56/04/484105604.db2.gz ICZIRIHIHBQAOU-CQSZACIVSA-N 0 3 364.450 0.300 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000331826396 484360338 /nfs/dbraw/zinc/36/03/38/484360338.db2.gz WUMMSARXGZXTMM-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000331826398 484361041 /nfs/dbraw/zinc/36/10/41/484361041.db2.gz WUMMSARXGZXTMM-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCN1C(=O)c1cscn1 ZINC000331828865 484360846 /nfs/dbraw/zinc/36/08/46/484360846.db2.gz AZNVPEGNDMXZNS-NWDGAFQWSA-N 0 3 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ZINC000331842438 484362048 /nfs/dbraw/zinc/36/20/48/484362048.db2.gz DXWLRPWVGPAEJX-AWEZNQCLSA-N 0 3 361.450 -0.481 20 0 FBADHN CNC(=O)N[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000331842439 484361798 /nfs/dbraw/zinc/36/17/98/484361798.db2.gz DXWLRPWVGPAEJX-CQSZACIVSA-N 0 3 361.450 -0.481 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000331842661 484362689 /nfs/dbraw/zinc/36/26/89/484362689.db2.gz FCACZGXTTHBICX-AWEZNQCLSA-N 0 3 352.435 -0.953 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000331842664 484362075 /nfs/dbraw/zinc/36/20/75/484362075.db2.gz FCACZGXTTHBICX-CQSZACIVSA-N 0 3 352.435 -0.953 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)O1 ZINC000331844165 484362018 /nfs/dbraw/zinc/36/20/18/484362018.db2.gz MTOLXCLGRDFJBZ-CABCVRRESA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCN1C ZINC000331852546 484362149 /nfs/dbraw/zinc/36/21/49/484362149.db2.gz 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352.479 -0.234 20 0 FBADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000331927053 484368019 /nfs/dbraw/zinc/36/80/19/484368019.db2.gz NAKLKFKVFAZLEY-ARFHVFGLSA-N 0 3 362.478 -0.528 20 0 FBADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000331927059 484368198 /nfs/dbraw/zinc/36/81/98/484368198.db2.gz NAKLKFKVFAZLEY-XHSDSOJGSA-N 0 3 362.478 -0.528 20 0 FBADHN Cc1onc(N)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331931136 484536939 /nfs/dbraw/zinc/53/69/39/484536939.db2.gz MZYNNLUVZJKXSB-UHFFFAOYSA-N 0 3 357.436 -0.506 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN1C ZINC000331934255 484368541 /nfs/dbraw/zinc/36/85/41/484368541.db2.gz QGINLADGXZLBFL-CHWSQXEVSA-N 0 3 362.434 -0.806 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN1C ZINC000331934268 484367815 /nfs/dbraw/zinc/36/78/15/484367815.db2.gz QGINLADGXZLBFL-OLZOCXBDSA-N 0 3 362.434 -0.806 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN1C ZINC000331934272 484368775 /nfs/dbraw/zinc/36/87/75/484368775.db2.gz QGINLADGXZLBFL-QWHCGFSZSA-N 0 3 362.434 -0.806 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN1C ZINC000331934277 484368431 /nfs/dbraw/zinc/36/84/31/484368431.db2.gz QGINLADGXZLBFL-STQMWFEESA-N 0 3 362.434 -0.806 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CC1 ZINC000331942957 484370060 /nfs/dbraw/zinc/37/00/60/484370060.db2.gz GULYUODEDCGLKA-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000331955373 484369070 /nfs/dbraw/zinc/36/90/70/484369070.db2.gz AAXNFVBZSVCWHL-HRCADAONSA-N 0 3 352.479 -0.282 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000331955376 484369894 /nfs/dbraw/zinc/36/98/94/484369894.db2.gz AAXNFVBZSVCWHL-OWCLPIDISA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000331970596 484370701 /nfs/dbraw/zinc/37/07/01/484370701.db2.gz CSWJZKSLHHWAEE-BZUAXINKSA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000331970600 484371673 /nfs/dbraw/zinc/37/16/73/484371673.db2.gz CSWJZKSLHHWAEE-OAGGEKHMSA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000331970606 484371645 /nfs/dbraw/zinc/37/16/45/484371645.db2.gz CSWJZKSLHHWAEE-OWCLPIDISA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000331970612 484371630 /nfs/dbraw/zinc/37/16/30/484371630.db2.gz CSWJZKSLHHWAEE-PMPSAXMXSA-N 0 3 351.495 -0.566 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C1CCCCC1 ZINC000331975728 484371419 /nfs/dbraw/zinc/37/14/19/484371419.db2.gz DRIBXBDGSGOUBO-IHRRRGAJSA-N 0 3 352.435 -0.874 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C1CCCCC1 ZINC000331975730 244897053 /nfs/dbraw/zinc/89/70/53/244897053.db2.gz DRIBXBDGSGOUBO-RDBSUJKOSA-N 0 3 352.435 -0.874 20 0 FBADHN CN1CCO[C@H]2CN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000331981332 484370903 /nfs/dbraw/zinc/37/09/03/484370903.db2.gz STWWKBOSPULALX-CABCVRRESA-N 0 3 368.459 -0.323 20 0 FBADHN CN1CCO[C@H]2CN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000331981335 484371573 /nfs/dbraw/zinc/37/15/73/484371573.db2.gz STWWKBOSPULALX-GJZGRUSLSA-N 0 3 368.459 -0.323 20 0 FBADHN CN1CCO[C@@H]2CN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000331981337 484371344 /nfs/dbraw/zinc/37/13/44/484371344.db2.gz STWWKBOSPULALX-HUUCEWRRSA-N 0 3 368.459 -0.323 20 0 FBADHN CN1CCO[C@@H]2CN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000331981341 484371464 /nfs/dbraw/zinc/37/14/64/484371464.db2.gz STWWKBOSPULALX-LSDHHAIUSA-N 0 3 368.459 -0.323 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](C[NH+](C)C)C3)cnc21 ZINC000331990595 484370562 /nfs/dbraw/zinc/37/05/62/484370562.db2.gz OQBGKFWONMEEDY-JTQLQIEISA-N 0 3 367.431 -0.394 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@H](C[NH+](C)C)C3)cnc21 ZINC000331990606 535966166 /nfs/dbraw/zinc/96/61/66/535966166.db2.gz OQBGKFWONMEEDY-SNVBAGLBSA-N 0 3 367.431 -0.394 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1(C)C ZINC000332002320 244900891 /nfs/dbraw/zinc/90/08/91/244900891.db2.gz XYPZJYOTPYFYDO-RRFJBIMHSA-N 0 3 363.462 -0.053 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1(C)C ZINC000332002322 484372258 /nfs/dbraw/zinc/37/22/58/484372258.db2.gz XYPZJYOTPYFYDO-ZNMIVQPWSA-N 0 3 363.462 -0.053 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCN1C ZINC000332004029 484372667 /nfs/dbraw/zinc/37/26/67/484372667.db2.gz CATAKBMFAXYZIR-CABCVRRESA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCN1C ZINC000332004033 484372990 /nfs/dbraw/zinc/37/29/90/484372990.db2.gz CATAKBMFAXYZIR-GJZGRUSLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCN1C ZINC000332004038 484372376 /nfs/dbraw/zinc/37/23/76/484372376.db2.gz CATAKBMFAXYZIR-HUUCEWRRSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCN1C ZINC000332004042 484372323 /nfs/dbraw/zinc/37/23/23/484372323.db2.gz CATAKBMFAXYZIR-LSDHHAIUSA-N 0 3 352.479 -0.092 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000332040663 484374117 /nfs/dbraw/zinc/37/41/17/484374117.db2.gz QNMSLOHSOYLKIT-CABCVRRESA-N 0 3 352.479 -0.234 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000332040664 484374729 /nfs/dbraw/zinc/37/47/29/484374729.db2.gz QNMSLOHSOYLKIT-GJZGRUSLSA-N 0 3 352.479 -0.234 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000332040665 484375249 /nfs/dbraw/zinc/37/52/49/484375249.db2.gz QNMSLOHSOYLKIT-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000332040666 484374582 /nfs/dbraw/zinc/37/45/82/484374582.db2.gz QNMSLOHSOYLKIT-LSDHHAIUSA-N 0 3 352.479 -0.234 20 0 FBADHN CS(=O)(=O)N1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000332041070 484375109 /nfs/dbraw/zinc/37/51/09/484375109.db2.gz VMTYYRUWWGMKEF-AWEZNQCLSA-N 0 3 374.507 -0.496 20 0 FBADHN CS(=O)(=O)N1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000332041072 484374253 /nfs/dbraw/zinc/37/42/53/484374253.db2.gz VMTYYRUWWGMKEF-CQSZACIVSA-N 0 3 374.507 -0.496 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332045731 484374008 /nfs/dbraw/zinc/37/40/08/484374008.db2.gz KLDHHDBVTBOSMV-AWEZNQCLSA-N 0 3 352.479 -0.092 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)c3cc(S(N)(=O)=O)cn3C)[C@H]2C1 ZINC000332048822 484376451 /nfs/dbraw/zinc/37/64/51/484376451.db2.gz YSGPLJAHNORMLF-UONOGXRCSA-N 0 3 356.448 -0.392 20 0 FBADHN Cn1c2ncn(CCN(CCO)[C@@H]3CCCSC3)c2c(=O)n(C)c1=O ZINC000332064737 484377293 /nfs/dbraw/zinc/37/72/93/484377293.db2.gz REPWCKMRDJTXPM-GFCCVEGCSA-N 0 3 367.475 -0.376 20 0 FBADHN Cn1c2ncn(CCN(CCO)[C@H]3CCCSC3)c2c(=O)n(C)c1=O ZINC000332064742 484376298 /nfs/dbraw/zinc/37/62/98/484376298.db2.gz REPWCKMRDJTXPM-LBPRGKRZSA-N 0 3 367.475 -0.376 20 0 FBADHN O=C(CCN1CCSC[C@@H]1CO)N1CCN(c2ncccn2)CC1 ZINC000332074105 484376771 /nfs/dbraw/zinc/37/67/71/484376771.db2.gz XMGHHJATOKGNKA-AWEZNQCLSA-N 0 3 351.476 -0.075 20 0 FBADHN O=C(CCN1CCSC[C@H]1CO)N1CCN(c2ncccn2)CC1 ZINC000332074114 484377378 /nfs/dbraw/zinc/37/73/78/484377378.db2.gz XMGHHJATOKGNKA-CQSZACIVSA-N 0 3 351.476 -0.075 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000332077142 484378646 /nfs/dbraw/zinc/37/86/46/484378646.db2.gz ZBXLJZGCPVPSRD-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCN1C ZINC000332078591 484377726 /nfs/dbraw/zinc/37/77/26/484377726.db2.gz ZYGRCJXAVMCQDD-GXTWGEPZSA-N 0 3 364.425 -0.137 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCN1C ZINC000332078592 484378549 /nfs/dbraw/zinc/37/85/49/484378549.db2.gz ZYGRCJXAVMCQDD-JSGCOSHPSA-N 0 3 364.425 -0.137 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCN1C ZINC000332078593 484377784 /nfs/dbraw/zinc/37/77/84/484377784.db2.gz ZYGRCJXAVMCQDD-OCCSQVGLSA-N 0 3 364.425 -0.137 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCN1C ZINC000332078594 484378394 /nfs/dbraw/zinc/37/83/94/484378394.db2.gz ZYGRCJXAVMCQDD-TZMCWYRMSA-N 0 3 364.425 -0.137 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000332082981 484379185 /nfs/dbraw/zinc/37/91/85/484379185.db2.gz AXMMWDKSMRMHCX-BZUAXINKSA-N 0 3 351.495 -0.566 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000332082982 484379144 /nfs/dbraw/zinc/37/91/44/484379144.db2.gz AXMMWDKSMRMHCX-OAGGEKHMSA-N 0 3 351.495 -0.566 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000332082983 484377979 /nfs/dbraw/zinc/37/79/79/484377979.db2.gz AXMMWDKSMRMHCX-OWCLPIDISA-N 0 3 351.495 -0.566 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000332082984 484378971 /nfs/dbraw/zinc/37/89/71/484378971.db2.gz AXMMWDKSMRMHCX-PMPSAXMXSA-N 0 3 351.495 -0.566 20 0 FBADHN CO[C@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1OC ZINC000332083192 484379010 /nfs/dbraw/zinc/37/90/10/484379010.db2.gz BSVFGCJDEYQCRD-RYUDHWBXSA-N 0 3 351.407 -0.831 20 0 FBADHN CO[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1OC ZINC000332083194 484378619 /nfs/dbraw/zinc/37/86/19/484378619.db2.gz BSVFGCJDEYQCRD-VXGBXAGGSA-N 0 3 351.407 -0.831 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)O1 ZINC000332095670 484380715 /nfs/dbraw/zinc/38/07/15/484380715.db2.gz NUQICDRJSZISLF-HZSPNIEDSA-N 0 3 353.419 -0.528 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)O1 ZINC000332095672 484380292 /nfs/dbraw/zinc/38/02/92/484380292.db2.gz NUQICDRJSZISLF-MELADBBJSA-N 0 3 353.419 -0.528 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)C[C@H]1N(C)C ZINC000332097566 484380543 /nfs/dbraw/zinc/38/05/43/484380543.db2.gz BCHNQYAKHUQETH-GDBMZVCRSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)C[C@H]1N(C)C ZINC000332097567 484380203 /nfs/dbraw/zinc/38/02/03/484380203.db2.gz BCHNQYAKHUQETH-GOEBONIOSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)C[C@@H]1N(C)C ZINC000332097568 484380306 /nfs/dbraw/zinc/38/03/06/484380306.db2.gz BCHNQYAKHUQETH-HOCLYGCPSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)C[C@@H]1N(C)C ZINC000332097569 484380248 /nfs/dbraw/zinc/38/02/48/484380248.db2.gz BCHNQYAKHUQETH-ZBFHGGJFSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000332124799 484381379 /nfs/dbraw/zinc/38/13/79/484381379.db2.gz JBXBZMXOGDMXCL-GDBMZVCRSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000332124803 484382005 /nfs/dbraw/zinc/38/20/05/484382005.db2.gz JBXBZMXOGDMXCL-ZBFHGGJFSA-N 0 3 352.479 -0.139 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H](N(C)C)C2)C[C@@H]1N1CCOCC1 ZINC000332125235 484381596 /nfs/dbraw/zinc/38/15/96/484381596.db2.gz AUIZDMOOJMXLGN-HZMVEIRTSA-N 0 3 366.506 -0.036 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](N(C)C)[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000332125238 484381789 /nfs/dbraw/zinc/38/17/89/484381789.db2.gz AUIZDMOOJMXLGN-VVLHAWIVSA-N 0 3 366.506 -0.036 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H](N(C)C)C2)C[C@H]1N1CCOCC1 ZINC000332125243 484381875 /nfs/dbraw/zinc/38/18/75/484381875.db2.gz AUIZDMOOJMXLGN-YLFCFFPRSA-N 0 3 366.506 -0.036 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](N(C)C)[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000332125246 484382058 /nfs/dbraw/zinc/38/20/58/484382058.db2.gz AUIZDMOOJMXLGN-YVSFHVDLSA-N 0 3 366.506 -0.036 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C[C@@H]1N(C)C ZINC000332126539 484381911 /nfs/dbraw/zinc/38/19/11/484381911.db2.gz BBVIFFQCFNJPGE-FXUDXRNXSA-N 0 3 352.479 -0.426 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C[C@H]1N(C)C ZINC000332126550 484382287 /nfs/dbraw/zinc/38/22/87/484382287.db2.gz BBVIFFQCFNJPGE-QKPAOTATSA-N 0 3 352.479 -0.426 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C[C@H]1N(C)C ZINC000332126559 484381475 /nfs/dbraw/zinc/38/14/75/484381475.db2.gz BBVIFFQCFNJPGE-QXSJWSMHSA-N 0 3 352.479 -0.426 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C[C@@H]1N(C)C ZINC000332126568 484382091 /nfs/dbraw/zinc/38/20/91/484382091.db2.gz BBVIFFQCFNJPGE-UGUYLWEFSA-N 0 3 352.479 -0.426 20 0 FBADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332135575 484381958 /nfs/dbraw/zinc/38/19/58/484381958.db2.gz KQORAKKQIIGMPX-GHMZBOCLSA-N 0 3 362.352 -0.428 20 0 FBADHN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332135650 484381647 /nfs/dbraw/zinc/38/16/47/484381647.db2.gz KQORAKKQIIGMPX-MNOVXSKESA-N 0 3 362.352 -0.428 20 0 FBADHN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332135656 484382206 /nfs/dbraw/zinc/38/22/06/484382206.db2.gz KQORAKKQIIGMPX-QWRGUYRKSA-N 0 3 362.352 -0.428 20 0 FBADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332135664 484381853 /nfs/dbraw/zinc/38/18/53/484381853.db2.gz KQORAKKQIIGMPX-WDEREUQCSA-N 0 3 362.352 -0.428 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000332136579 484383527 /nfs/dbraw/zinc/38/35/27/484383527.db2.gz LZGNEXXREVVVJE-GFCCVEGCSA-N 0 3 371.463 -0.758 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)C)C2)C[C@H]1N1CCOCC1 ZINC000332160097 484383467 /nfs/dbraw/zinc/38/34/67/484383467.db2.gz SIBVNRQGCNHSTB-BZUAXINKSA-N 0 3 352.479 -0.282 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)C)C2)C[C@@H]1N1CCOCC1 ZINC000332160098 484383286 /nfs/dbraw/zinc/38/32/86/484383286.db2.gz SIBVNRQGCNHSTB-OAGGEKHMSA-N 0 3 352.479 -0.282 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)C)C2)C[C@H]1N1CCOCC1 ZINC000332160099 484384148 /nfs/dbraw/zinc/38/41/48/484384148.db2.gz SIBVNRQGCNHSTB-OWCLPIDISA-N 0 3 352.479 -0.282 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)C)C2)C[C@@H]1N1CCOCC1 ZINC000332160102 484384344 /nfs/dbraw/zinc/38/43/44/484384344.db2.gz SIBVNRQGCNHSTB-PMPSAXMXSA-N 0 3 352.479 -0.282 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000332166265 484384751 /nfs/dbraw/zinc/38/47/51/484384751.db2.gz KURIPGHSCFPNBE-BFHYXJOUSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000332166267 484385157 /nfs/dbraw/zinc/38/51/57/484385157.db2.gz KURIPGHSCFPNBE-MCIONIFRSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000332166270 484384536 /nfs/dbraw/zinc/38/45/36/484384536.db2.gz KURIPGHSCFPNBE-MGPQQGTHSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000332166272 484384697 /nfs/dbraw/zinc/38/46/97/484384697.db2.gz KURIPGHSCFPNBE-MJBXVCDLSA-N 0 3 357.476 -0.425 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)[C@H](c3nccn3C)C2)CCN1C ZINC000332181296 484386801 /nfs/dbraw/zinc/38/68/01/484386801.db2.gz NEWDZBHWJYVFSS-ILXRZTDVSA-N 0 3 362.478 -0.166 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)[C@H](c3nccn3C)C2)CCN1C ZINC000332181299 484386715 /nfs/dbraw/zinc/38/67/15/484386715.db2.gz NEWDZBHWJYVFSS-KFWWJZLASA-N 0 3 362.478 -0.166 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CCN1C ZINC000332181302 484386847 /nfs/dbraw/zinc/38/68/47/484386847.db2.gz NEWDZBHWJYVFSS-QLFBSQMISA-N 0 3 362.478 -0.166 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CCN1C ZINC000332181304 484386764 /nfs/dbraw/zinc/38/67/64/484386764.db2.gz NEWDZBHWJYVFSS-RBSFLKMASA-N 0 3 362.478 -0.166 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000332181345 484386642 /nfs/dbraw/zinc/38/66/42/484386642.db2.gz NHFVNYNOHWNGSD-AWEZNQCLSA-N 0 3 372.491 -0.777 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000332181346 484386078 /nfs/dbraw/zinc/38/60/78/484386078.db2.gz NHFVNYNOHWNGSD-CQSZACIVSA-N 0 3 372.491 -0.777 20 0 FBADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000332193439 484386486 /nfs/dbraw/zinc/38/64/86/484386486.db2.gz XIWSLFYOWGREOP-HRCADAONSA-N 0 3 352.479 -0.141 20 0 FBADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000332193442 484386243 /nfs/dbraw/zinc/38/62/43/484386243.db2.gz XIWSLFYOWGREOP-OWCLPIDISA-N 0 3 352.479 -0.141 20 0 FBADHN CN(C)CCCN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000332196090 484386034 /nfs/dbraw/zinc/38/60/34/484386034.db2.gz BYPMGFPEZSJSFV-CHWSQXEVSA-N 0 3 369.491 -0.123 20 0 FBADHN CN(C)CCCN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000332196100 484386280 /nfs/dbraw/zinc/38/62/80/484386280.db2.gz BYPMGFPEZSJSFV-OLZOCXBDSA-N 0 3 369.491 -0.123 20 0 FBADHN CN(C)CCCN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000332196111 484386140 /nfs/dbraw/zinc/38/61/40/484386140.db2.gz BYPMGFPEZSJSFV-QWHCGFSZSA-N 0 3 369.491 -0.123 20 0 FBADHN CN(C)CCCN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000332196122 484386908 /nfs/dbraw/zinc/38/69/08/484386908.db2.gz BYPMGFPEZSJSFV-STQMWFEESA-N 0 3 369.491 -0.123 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000332216483 484388015 /nfs/dbraw/zinc/38/80/15/484388015.db2.gz HWKATCKSEISXBS-BFHYXJOUSA-N 0 3 372.491 -0.778 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000332216484 484388518 /nfs/dbraw/zinc/38/85/18/484388518.db2.gz HWKATCKSEISXBS-HZSPNIEDSA-N 0 3 372.491 -0.778 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000332216485 484388479 /nfs/dbraw/zinc/38/84/79/484388479.db2.gz HWKATCKSEISXBS-MELADBBJSA-N 0 3 372.491 -0.778 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)C1 ZINC000332216486 484387895 /nfs/dbraw/zinc/38/78/95/484387895.db2.gz HWKATCKSEISXBS-MGPQQGTHSA-N 0 3 372.491 -0.778 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)CC1 ZINC000332242737 484391098 /nfs/dbraw/zinc/39/10/98/484391098.db2.gz ATPKLGXFWRAIGL-CVEARBPZSA-N 0 3 354.495 -0.157 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000332242738 484390482 /nfs/dbraw/zinc/39/04/82/484390482.db2.gz ATPKLGXFWRAIGL-HOTGVXAUSA-N 0 3 354.495 -0.157 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000332242739 484390734 /nfs/dbraw/zinc/39/07/34/484390734.db2.gz ATPKLGXFWRAIGL-HZPDHXFCSA-N 0 3 354.495 -0.157 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000332242740 484391227 /nfs/dbraw/zinc/39/12/27/484391227.db2.gz ATPKLGXFWRAIGL-JKSUJKDBSA-N 0 3 354.495 -0.157 20 0 FBADHN CS[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H]1N(C)C ZINC000332252834 484392189 /nfs/dbraw/zinc/39/21/89/484392189.db2.gz SSFUUHOEBXKITH-NEPJUHHUSA-N 0 3 350.448 -0.366 20 0 FBADHN CS[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H]1N(C)C ZINC000332252837 484392230 /nfs/dbraw/zinc/39/22/30/484392230.db2.gz SSFUUHOEBXKITH-NWDGAFQWSA-N 0 3 350.448 -0.366 20 0 FBADHN CS[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H]1N(C)C ZINC000332252839 484392734 /nfs/dbraw/zinc/39/27/34/484392734.db2.gz SSFUUHOEBXKITH-RYUDHWBXSA-N 0 3 350.448 -0.366 20 0 FBADHN CS[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H]1N(C)C ZINC000332252840 484392547 /nfs/dbraw/zinc/39/25/47/484392547.db2.gz SSFUUHOEBXKITH-VXGBXAGGSA-N 0 3 350.448 -0.366 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H]1[NH3+] ZINC000332260946 484392843 /nfs/dbraw/zinc/39/28/43/484392843.db2.gz GJAFJKFFRGKRBP-GXTWGEPZSA-N 0 3 360.414 -0.518 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@@H]1[NH3+] ZINC000332260965 484392623 /nfs/dbraw/zinc/39/26/23/484392623.db2.gz GJAFJKFFRGKRBP-JSGCOSHPSA-N 0 3 360.414 -0.518 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@@H]1[NH3+] ZINC000332260970 244921719 /nfs/dbraw/zinc/92/17/19/244921719.db2.gz GJAFJKFFRGKRBP-OCCSQVGLSA-N 0 3 360.414 -0.518 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H]1[NH3+] ZINC000332260972 484392433 /nfs/dbraw/zinc/39/24/33/484392433.db2.gz GJAFJKFFRGKRBP-TZMCWYRMSA-N 0 3 360.414 -0.518 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000332262881 484392380 /nfs/dbraw/zinc/39/23/80/484392380.db2.gz FGEGDRVQFNGSEV-INIZCTEOSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000332262883 484392809 /nfs/dbraw/zinc/39/28/09/484392809.db2.gz FGEGDRVQFNGSEV-MRXNPFEDSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H]1C(=O)NCCCN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000332277212 484393640 /nfs/dbraw/zinc/39/36/40/484393640.db2.gz HMNOZOHYHOWCFQ-CYBMUJFWSA-N 0 3 353.467 -0.151 20 0 FBADHN C[C@H]1C(=O)NCCCN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000332277214 484394389 /nfs/dbraw/zinc/39/43/89/484394389.db2.gz HMNOZOHYHOWCFQ-ZDUSSCGKSA-N 0 3 353.467 -0.151 20 0 FBADHN O=C(C(=O)N1CCCNCC1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000332286228 484395739 /nfs/dbraw/zinc/39/57/39/484395739.db2.gz GRZFPDJTVJCCOD-UHFFFAOYSA-N 0 3 354.348 -0.147 20 0 FBADHN COC(=O)c1cnc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000332287008 484396150 /nfs/dbraw/zinc/39/61/50/484396150.db2.gz MLXVIBAHHRMKNF-UHFFFAOYSA-N 0 3 361.402 -0.357 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000332289977 484395651 /nfs/dbraw/zinc/39/56/51/484395651.db2.gz JIUFQXGUMMCQLM-UHFFFAOYSA-N 0 3 354.495 -0.156 20 0 FBADHN CNC(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000332292708 484395969 /nfs/dbraw/zinc/39/59/69/484395969.db2.gz JQINTOQPSZPEIU-UHFFFAOYSA-N 0 3 359.430 -0.179 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@@H]1[NH3+] ZINC000332302690 484397102 /nfs/dbraw/zinc/39/71/02/484397102.db2.gz QJUHERUREPVVQO-DOMZBBRYSA-N 0 3 360.414 -0.518 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@H]1[NH3+] ZINC000332302695 484396667 /nfs/dbraw/zinc/39/66/67/484396667.db2.gz QJUHERUREPVVQO-IUODEOHRSA-N 0 3 360.414 -0.518 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@H]1[NH3+] ZINC000332302697 484397336 /nfs/dbraw/zinc/39/73/36/484397336.db2.gz QJUHERUREPVVQO-SWLSCSKDSA-N 0 3 360.414 -0.518 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@@H]1[NH3+] ZINC000332302700 484397414 /nfs/dbraw/zinc/39/74/14/484397414.db2.gz QJUHERUREPVVQO-WFASDCNBSA-N 0 3 360.414 -0.518 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000332303854 484397248 /nfs/dbraw/zinc/39/72/48/484397248.db2.gz QTMPEOSOUJWZFI-INIZCTEOSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000332303855 484397087 /nfs/dbraw/zinc/39/70/87/484397087.db2.gz QTMPEOSOUJWZFI-MRXNPFEDSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CCN1CC(C)(C)O ZINC000332316471 484398609 /nfs/dbraw/zinc/39/86/09/484398609.db2.gz NRQKEGQQHZXKMR-BZUAXINKSA-N 0 3 366.506 -0.157 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CCN1CC(C)(C)O ZINC000332316476 484398833 /nfs/dbraw/zinc/39/88/33/484398833.db2.gz NRQKEGQQHZXKMR-OAGGEKHMSA-N 0 3 366.506 -0.157 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CCN1CC(C)(C)O ZINC000332316480 484398146 /nfs/dbraw/zinc/39/81/46/484398146.db2.gz NRQKEGQQHZXKMR-OWCLPIDISA-N 0 3 366.506 -0.157 20 0 FBADHN CCN1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000332316791 484398966 /nfs/dbraw/zinc/39/89/66/484398966.db2.gz OAOQMNUVZLWIMC-HNNXBMFYSA-N 0 3 354.495 -0.156 20 0 FBADHN CCN1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000332316794 484398679 /nfs/dbraw/zinc/39/86/79/484398679.db2.gz OAOQMNUVZLWIMC-OAHLLOKOSA-N 0 3 354.495 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CCN1CC(C)(C)O ZINC000332317067 484398312 /nfs/dbraw/zinc/39/83/12/484398312.db2.gz NRQKEGQQHZXKMR-PMPSAXMXSA-N 0 3 366.506 -0.157 20 0 FBADHN COC(=O)CC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000332322488 484398453 /nfs/dbraw/zinc/39/84/53/484398453.db2.gz 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FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCn1nc2ccccn2c1=O ZINC000332331966 484399512 /nfs/dbraw/zinc/39/95/12/484399512.db2.gz LKMIOBXCMAJYJG-CHWSQXEVSA-N 0 3 353.448 -0.054 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCn1nc2ccccn2c1=O ZINC000332331967 484400388 /nfs/dbraw/zinc/40/03/88/484400388.db2.gz LKMIOBXCMAJYJG-OLZOCXBDSA-N 0 3 353.448 -0.054 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCn1nc2ccccn2c1=O ZINC000332331968 484399425 /nfs/dbraw/zinc/39/94/25/484399425.db2.gz LKMIOBXCMAJYJG-QWHCGFSZSA-N 0 3 353.448 -0.054 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCn1nc2ccccn2c1=O ZINC000332331970 484399435 /nfs/dbraw/zinc/39/94/35/484399435.db2.gz LKMIOBXCMAJYJG-STQMWFEESA-N 0 3 353.448 -0.054 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000332336180 484400699 /nfs/dbraw/zinc/40/06/99/484400699.db2.gz VTHFIWPBEKIBSD-GDBMZVCRSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000332336183 484399694 /nfs/dbraw/zinc/39/96/94/484399694.db2.gz VTHFIWPBEKIBSD-GOEBONIOSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000332336187 484399766 /nfs/dbraw/zinc/39/97/66/484399766.db2.gz VTHFIWPBEKIBSD-HOCLYGCPSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1 ZINC000332336190 484399891 /nfs/dbraw/zinc/39/98/91/484399891.db2.gz VTHFIWPBEKIBSD-ZBFHGGJFSA-N 0 3 352.479 -0.234 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CCO1 ZINC000332336427 484400526 /nfs/dbraw/zinc/40/05/26/484400526.db2.gz MERJWUKDZYXPGS-HZSPNIEDSA-N 0 3 352.435 -0.955 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCO1 ZINC000332336429 484400510 /nfs/dbraw/zinc/40/05/10/484400510.db2.gz MERJWUKDZYXPGS-MCIONIFRSA-N 0 3 352.435 -0.955 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCO1 ZINC000332336431 484400008 /nfs/dbraw/zinc/40/00/08/484400008.db2.gz MERJWUKDZYXPGS-MGPQQGTHSA-N 0 3 352.435 -0.955 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCO1 ZINC000332336433 484400225 /nfs/dbraw/zinc/40/02/25/484400225.db2.gz MERJWUKDZYXPGS-RDBSUJKOSA-N 0 3 352.435 -0.955 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C[C@H]1N(C)C ZINC000332337029 484400149 /nfs/dbraw/zinc/40/01/49/484400149.db2.gz UZGVMCGRPFGPFB-DOTOQJQBSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C[C@H]1N(C)C ZINC000332337030 484399592 /nfs/dbraw/zinc/39/95/92/484399592.db2.gz UZGVMCGRPFGPFB-NVXWUHKLSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C[C@@H]1N(C)C ZINC000332337032 484399476 /nfs/dbraw/zinc/39/94/76/484399476.db2.gz UZGVMCGRPFGPFB-RDJZCZTQSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C[C@@H]1N(C)C ZINC000332337033 484400470 /nfs/dbraw/zinc/40/04/70/484400470.db2.gz UZGVMCGRPFGPFB-WBVHZDCISA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C[C@H]1N(C)C ZINC000332337870 484401453 /nfs/dbraw/zinc/40/14/53/484401453.db2.gz SBHRQQNZWUMWBA-DOTOQJQBSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C[C@H]1N(C)C ZINC000332337872 484401341 /nfs/dbraw/zinc/40/13/41/484401341.db2.gz SBHRQQNZWUMWBA-NVXWUHKLSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C[C@@H]1N(C)C ZINC000332337873 484401389 /nfs/dbraw/zinc/40/13/89/484401389.db2.gz SBHRQQNZWUMWBA-RDJZCZTQSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C[C@@H]1N(C)C ZINC000332337874 484401559 /nfs/dbraw/zinc/40/15/59/484401559.db2.gz SBHRQQNZWUMWBA-WBVHZDCISA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000332343360 484401962 /nfs/dbraw/zinc/40/19/62/484401962.db2.gz PFWVBHQOLPNNAT-FPCVCCKLSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC000332343363 484402194 /nfs/dbraw/zinc/40/21/94/484402194.db2.gz PFWVBHQOLPNNAT-KLHDSHLOSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000332343366 484402097 /nfs/dbraw/zinc/40/20/97/484402097.db2.gz PFWVBHQOLPNNAT-QKPAOTATSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000332343370 484402122 /nfs/dbraw/zinc/40/21/22/484402122.db2.gz PFWVBHQOLPNNAT-QXSJWSMHSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C[C@H]1C ZINC000332346060 484401533 /nfs/dbraw/zinc/40/15/33/484401533.db2.gz TXBVDBICNDQJAR-FXUDXRNXSA-N 0 3 352.479 -0.548 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C[C@H]1C ZINC000332346064 484401417 /nfs/dbraw/zinc/40/14/17/484401417.db2.gz TXBVDBICNDQJAR-UGUYLWEFSA-N 0 3 352.479 -0.548 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C[C@@H]1C ZINC000332346065 484402352 /nfs/dbraw/zinc/40/23/52/484402352.db2.gz TXBVDBICNDQJAR-VGWMRTNUSA-N 0 3 352.479 -0.548 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C[C@@H]1C ZINC000332346066 484402394 /nfs/dbraw/zinc/40/23/94/484402394.db2.gz TXBVDBICNDQJAR-YHUYYLMFSA-N 0 3 352.479 -0.548 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000332355108 484403786 /nfs/dbraw/zinc/40/37/86/484403786.db2.gz WDCUVDMRVRZWED-UHFFFAOYSA-N 0 3 354.451 -0.754 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(CC(C)(C)O)CC3)[C@H]2C1 ZINC000332361505 484402847 /nfs/dbraw/zinc/40/28/47/484402847.db2.gz WOOHQOHKZFESID-CABCVRRESA-N 0 3 352.479 -0.546 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCN(CC(C)(C)O)CC3)[C@H]2C1 ZINC000332361508 484403655 /nfs/dbraw/zinc/40/36/55/484403655.db2.gz WOOHQOHKZFESID-GJZGRUSLSA-N 0 3 352.479 -0.546 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(CC(C)(C)O)CC3)[C@@H]2C1 ZINC000332361512 484403694 /nfs/dbraw/zinc/40/36/94/484403694.db2.gz WOOHQOHKZFESID-HUUCEWRRSA-N 0 3 352.479 -0.546 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCN(CC(C)(C)O)CC3)[C@@H]2C1 ZINC000332361517 484403369 /nfs/dbraw/zinc/40/33/69/484403369.db2.gz WOOHQOHKZFESID-LSDHHAIUSA-N 0 3 352.479 -0.546 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CCN1C[C@H](C)O ZINC000332361565 484403870 /nfs/dbraw/zinc/40/38/70/484403870.db2.gz WOYKIIIZZVUEOB-MWDXBVQZSA-N 0 3 366.506 -0.157 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CCN1C[C@H](C)O ZINC000332361569 484404189 /nfs/dbraw/zinc/40/41/89/484404189.db2.gz WOYKIIIZZVUEOB-NXOAAHMSSA-N 0 3 366.506 -0.157 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CCN1C[C@@H](C)O ZINC000332361572 484403823 /nfs/dbraw/zinc/40/38/23/484403823.db2.gz WOYKIIIZZVUEOB-TWMKSMIVSA-N 0 3 366.506 -0.157 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CCN1C[C@@H](C)O ZINC000332361576 484402667 /nfs/dbraw/zinc/40/26/67/484402667.db2.gz WOYKIIIZZVUEOB-YYIAUSFCSA-N 0 3 366.506 -0.157 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000332363300 484403412 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IBXZLUNTWYJTQQ-CYBMUJFWSA-N 0 3 360.414 -0.374 20 0 FBADHN [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000332517212 484420525 /nfs/dbraw/zinc/42/05/25/484420525.db2.gz IBXZLUNTWYJTQQ-ZDUSSCGKSA-N 0 3 360.414 -0.374 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)CC(=O)N1 ZINC000332522519 484419784 /nfs/dbraw/zinc/41/97/84/484419784.db2.gz CTBWTHZFMDKJTA-DFBGVHRSSA-N 0 3 362.405 -0.184 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)CC(=O)N1 ZINC000332522523 484419416 /nfs/dbraw/zinc/41/94/16/484419416.db2.gz CTBWTHZFMDKJTA-GLQYFDAESA-N 0 3 362.405 -0.184 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H](C)CO1 ZINC000332523907 484419713 /nfs/dbraw/zinc/41/97/13/484419713.db2.gz UAFGADODTDRERY-KFWWJZLASA-N 0 3 366.462 -0.613 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@H](C)CO1 ZINC000332523909 484420319 /nfs/dbraw/zinc/42/03/19/484420319.db2.gz UAFGADODTDRERY-RBSFLKMASA-N 0 3 366.462 -0.613 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@@H](C)CO1 ZINC000332523911 484419689 /nfs/dbraw/zinc/41/96/89/484419689.db2.gz UAFGADODTDRERY-RRFJBIMHSA-N 0 3 366.462 -0.613 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@@H](C)CO1 ZINC000332524287 484420095 /nfs/dbraw/zinc/42/00/95/484420095.db2.gz UAFGADODTDRERY-ZNMIVQPWSA-N 0 3 366.462 -0.613 20 0 FBADHN C[C@H]1CSCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000332525980 484420466 /nfs/dbraw/zinc/42/04/66/484420466.db2.gz VHZQKUHWTAIPKJ-KBPBESRZSA-N 0 3 368.503 -0.285 20 0 FBADHN C[C@@H]1CSCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000332525983 484420404 /nfs/dbraw/zinc/42/04/04/484420404.db2.gz VHZQKUHWTAIPKJ-KGLIPLIRSA-N 0 3 368.503 -0.285 20 0 FBADHN C[C@H]1CSCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000332525986 484421120 /nfs/dbraw/zinc/42/11/20/484421120.db2.gz VHZQKUHWTAIPKJ-UONOGXRCSA-N 0 3 368.503 -0.285 20 0 FBADHN C[C@@H]1CSCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000332525989 484421831 /nfs/dbraw/zinc/42/18/31/484421831.db2.gz VHZQKUHWTAIPKJ-ZIAGYGMSSA-N 0 3 368.503 -0.285 20 0 FBADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000332526774 484420805 /nfs/dbraw/zinc/42/08/05/484420805.db2.gz CVMNZJXSTXIMAD-JTQLQIEISA-N 0 3 368.415 -0.833 20 0 FBADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCO1 ZINC000332526775 484421564 /nfs/dbraw/zinc/42/15/64/484421564.db2.gz CVMNZJXSTXIMAD-SNVBAGLBSA-N 0 3 368.415 -0.833 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)[C@@H](C)CN1 ZINC000332528060 484421792 /nfs/dbraw/zinc/42/17/92/484421792.db2.gz ONNKNPTVXWNUDV-CABCVRRESA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)[C@@H](C)CN1 ZINC000332528062 484421141 /nfs/dbraw/zinc/42/11/41/484421141.db2.gz ONNKNPTVXWNUDV-GJZGRUSLSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)[C@H](C)CN1 ZINC000332528063 484421697 /nfs/dbraw/zinc/42/16/97/484421697.db2.gz ONNKNPTVXWNUDV-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000332528065 484421457 /nfs/dbraw/zinc/42/14/57/484421457.db2.gz ONNKNPTVXWNUDV-LSDHHAIUSA-N 0 3 352.479 -0.234 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000332528648 484421619 /nfs/dbraw/zinc/42/16/19/484421619.db2.gz GEVAQXPDCLXSCX-CYBMUJFWSA-N 0 3 350.398 -0.396 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000332528649 484421728 /nfs/dbraw/zinc/42/17/28/484421728.db2.gz GEVAQXPDCLXSCX-ZDUSSCGKSA-N 0 3 350.398 -0.396 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332529018 484421409 /nfs/dbraw/zinc/42/14/09/484421409.db2.gz PDEJPDJZRCWQQE-INIZCTEOSA-N 0 3 352.479 -0.103 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332529019 484421164 /nfs/dbraw/zinc/42/11/64/484421164.db2.gz PDEJPDJZRCWQQE-MRXNPFEDSA-N 0 3 352.479 -0.103 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C[C@H](C)N1 ZINC000332531642 484421588 /nfs/dbraw/zinc/42/15/88/484421588.db2.gz HJAFEYLCJRKQAJ-QLFBSQMISA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C[C@@H](C)N1 ZINC000332531645 484421282 /nfs/dbraw/zinc/42/12/82/484421282.db2.gz HJAFEYLCJRKQAJ-RBSFLKMASA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000332531649 484421351 /nfs/dbraw/zinc/42/13/51/484421351.db2.gz HJAFEYLCJRKQAJ-SOUVJXGZSA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C[C@H](C)N1 ZINC000332533049 484421185 /nfs/dbraw/zinc/42/11/85/484421185.db2.gz GYECZEWEHSLCOJ-GASCZTMLSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C[C@H](C)N1 ZINC000332533052 484421754 /nfs/dbraw/zinc/42/17/54/484421754.db2.gz GYECZEWEHSLCOJ-GJZGRUSLSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C[C@@H](C)N1 ZINC000332533054 484421765 /nfs/dbraw/zinc/42/17/65/484421765.db2.gz GYECZEWEHSLCOJ-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CCN1 ZINC000332533928 484423276 /nfs/dbraw/zinc/42/32/76/484423276.db2.gz HUBGJYDWPVCIOK-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](N)C1 ZINC000332533953 484422260 /nfs/dbraw/zinc/42/22/60/484422260.db2.gz IBZOCUXUAYMFTL-DFBGVHRSSA-N 0 3 362.405 -0.184 20 0 FBADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](N)C1 ZINC000332533954 484423169 /nfs/dbraw/zinc/42/31/69/484423169.db2.gz IBZOCUXUAYMFTL-GLQYFDAESA-N 0 3 362.405 -0.184 20 0 FBADHN CN(C)Cc1ccc(N2CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)nc1 ZINC000332534719 484423117 /nfs/dbraw/zinc/42/31/17/484423117.db2.gz IKXSEKMKLJRNQY-UHFFFAOYSA-N 0 3 374.489 -0.434 20 0 FBADHN NC(=O)[C@H]1CCCN(C(=O)CN2CCC(O)(CN3CCOCC3)CC2)C1 ZINC000332540828 484423213 /nfs/dbraw/zinc/42/32/13/484423213.db2.gz CPPXDJVEXPQAJN-HNNXBMFYSA-N 0 3 368.478 -0.081 20 0 FBADHN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC(O)(CN3CCOCC3)CC2)C1 ZINC000332540829 484423258 /nfs/dbraw/zinc/42/32/58/484423258.db2.gz CPPXDJVEXPQAJN-OAHLLOKOSA-N 0 3 368.478 -0.081 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCSC[C@H]1CCO)c(=O)n2C ZINC000332542500 484422463 /nfs/dbraw/zinc/42/24/63/484422463.db2.gz DRCFCUXCLHMLPE-GFCCVEGCSA-N 0 3 367.475 -0.376 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCSC[C@@H]1CCO)c(=O)n2C ZINC000332542514 484422930 /nfs/dbraw/zinc/42/29/30/484422930.db2.gz DRCFCUXCLHMLPE-LBPRGKRZSA-N 0 3 367.475 -0.376 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CCN1 ZINC000332550592 484424527 /nfs/dbraw/zinc/42/45/27/484424527.db2.gz PLIJRXSBNGLKNX-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000332551140 484424575 /nfs/dbraw/zinc/42/45/75/484424575.db2.gz PPMAEOWASSHWBJ-CYBMUJFWSA-N 0 3 366.443 -0.921 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000332551141 484424272 /nfs/dbraw/zinc/42/42/72/484424272.db2.gz PPMAEOWASSHWBJ-ZDUSSCGKSA-N 0 3 366.443 -0.921 20 0 FBADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000332552949 484424675 /nfs/dbraw/zinc/42/46/75/484424675.db2.gz QYRVKSSPMQHOAI-CQSZACIVSA-N 0 3 360.414 -0.374 20 0 FBADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000332560723 484423716 /nfs/dbraw/zinc/42/37/16/484423716.db2.gz RDHBGTLJUFSDIO-KBPBESRZSA-N 0 3 366.462 -0.707 20 0 FBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000332560724 484425873 /nfs/dbraw/zinc/42/58/73/484425873.db2.gz RDHBGTLJUFSDIO-OKILXGFUSA-N 0 3 366.462 -0.707 20 0 FBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCNC(=O)C3)CC2)C[C@@H](C)O1 ZINC000332560725 484425022 /nfs/dbraw/zinc/42/50/22/484425022.db2.gz RDHBGTLJUFSDIO-ZIAGYGMSSA-N 0 3 366.462 -0.707 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000332563210 484425450 /nfs/dbraw/zinc/42/54/50/484425450.db2.gz WCZWSFNFJJALRT-CQSZACIVSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C[C@H](C)N1 ZINC000332564516 484425693 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CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000332590004 484427044 /nfs/dbraw/zinc/42/70/44/484427044.db2.gz ADMLWSVGLPLRFJ-ZNMIVQPWSA-N 0 3 365.478 -0.022 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000332591125 484427123 /nfs/dbraw/zinc/42/71/23/484427123.db2.gz AJIDOMYPRAFTJZ-MWDXBVQZSA-N 0 3 366.506 -0.015 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000332591128 484427469 /nfs/dbraw/zinc/42/74/69/484427469.db2.gz AJIDOMYPRAFTJZ-QBPKDAKJSA-N 0 3 366.506 -0.015 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000332591131 484427155 /nfs/dbraw/zinc/42/71/55/484427155.db2.gz AJIDOMYPRAFTJZ-YLFCFFPRSA-N 0 3 366.506 -0.015 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000332591133 484427963 /nfs/dbraw/zinc/42/79/63/484427963.db2.gz AJIDOMYPRAFTJZ-YYIAUSFCSA-N 0 3 366.506 -0.015 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000332593196 484427189 /nfs/dbraw/zinc/42/71/89/484427189.db2.gz BDHMVWOCMSTPRD-CVEARBPZSA-N 0 3 366.506 -0.013 20 0 FBADHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000332593197 484427936 /nfs/dbraw/zinc/42/79/36/484427936.db2.gz BDHMVWOCMSTPRD-HOTGVXAUSA-N 0 3 366.506 -0.013 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000332593198 484427260 /nfs/dbraw/zinc/42/72/60/484427260.db2.gz BDHMVWOCMSTPRD-HZPDHXFCSA-N 0 3 366.506 -0.013 20 0 FBADHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000332593199 484426687 /nfs/dbraw/zinc/42/66/87/484426687.db2.gz BDHMVWOCMSTPRD-JKSUJKDBSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332598441 484426973 /nfs/dbraw/zinc/42/69/73/484426973.db2.gz CIRNGFWTWRDZEY-CABCVRRESA-N 0 3 352.479 -0.403 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332598442 484427534 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ZINC000332685727 484440679 /nfs/dbraw/zinc/44/06/79/484440679.db2.gz SKXPFHPPRNHGMR-XHSDSOJGSA-N 0 3 351.495 -0.566 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000332687725 484440577 /nfs/dbraw/zinc/44/05/77/484440577.db2.gz VUPSDKXWTWXIMS-ARFHVFGLSA-N 0 3 352.479 -0.403 20 0 FBADHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000332687727 484441103 /nfs/dbraw/zinc/44/11/03/484441103.db2.gz VUPSDKXWTWXIMS-HRCADAONSA-N 0 3 352.479 -0.403 20 0 FBADHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000332687729 484440414 /nfs/dbraw/zinc/44/04/14/484440414.db2.gz VUPSDKXWTWXIMS-JYJNAYRXSA-N 0 3 352.479 -0.403 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000332687731 484440707 /nfs/dbraw/zinc/44/07/07/484440707.db2.gz VUPSDKXWTWXIMS-XHSDSOJGSA-N 0 3 352.479 -0.403 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)C[C@H]1N1CCOCC1 ZINC000332695231 484440159 /nfs/dbraw/zinc/44/01/59/484440159.db2.gz 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CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)COC)CC1 ZINC000332695352 484440180 /nfs/dbraw/zinc/44/01/80/484440180.db2.gz WZZZFCOTFMXBLT-HUUCEWRRSA-N 0 3 366.462 -0.611 20 0 FBADHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)COC)CC1 ZINC000332695353 484440367 /nfs/dbraw/zinc/44/03/67/484440367.db2.gz WZZZFCOTFMXBLT-LSDHHAIUSA-N 0 3 366.462 -0.611 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000332695527 484440827 /nfs/dbraw/zinc/44/08/27/484440827.db2.gz UXVDNGOZYDFTFY-HNNXBMFYSA-N 0 3 366.462 -0.610 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000332695528 484441201 /nfs/dbraw/zinc/44/12/01/484441201.db2.gz UXVDNGOZYDFTFY-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000332697897 484440248 /nfs/dbraw/zinc/44/02/48/484440248.db2.gz WPSZHMPLOGFOEH-HNNXBMFYSA-N 0 3 358.464 -0.158 20 0 FBADHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000332697904 484440869 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352.479 -0.405 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@H]1C ZINC000332702640 484441046 /nfs/dbraw/zinc/44/10/46/484441046.db2.gz YKLBCEYRVKBKBN-WCVJEAGWSA-N 0 3 352.479 -0.405 20 0 FBADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000332725926 484442947 /nfs/dbraw/zinc/44/29/47/484442947.db2.gz TYGCNAOSFMFMSY-DGCLKSJQSA-N 0 3 359.448 -0.144 20 0 FBADHN CNS(=O)(=O)NCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000332731199 484442501 /nfs/dbraw/zinc/44/25/01/484442501.db2.gz VPQIADUKTQYFPM-UHFFFAOYSA-N 0 3 354.476 -0.007 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000332736116 484265368 /nfs/dbraw/zinc/26/53/68/484265368.db2.gz WTPMMICTPGKVDZ-GXTWGEPZSA-N 0 3 359.496 -0.915 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000332736117 484265465 /nfs/dbraw/zinc/26/54/65/484265465.db2.gz WTPMMICTPGKVDZ-JSGCOSHPSA-N 0 3 359.496 -0.915 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000332738077 484444704 /nfs/dbraw/zinc/44/47/04/484444704.db2.gz WULPXSWNKVBTDY-KBPBESRZSA-N 0 3 363.480 -0.738 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000332738078 484444252 /nfs/dbraw/zinc/44/42/52/484444252.db2.gz WULPXSWNKVBTDY-KGLIPLIRSA-N 0 3 363.480 -0.738 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000332738079 484443736 /nfs/dbraw/zinc/44/37/36/484443736.db2.gz WULPXSWNKVBTDY-UONOGXRCSA-N 0 3 363.480 -0.738 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000332738080 484443766 /nfs/dbraw/zinc/44/37/66/484443766.db2.gz WULPXSWNKVBTDY-ZIAGYGMSSA-N 0 3 363.480 -0.738 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1C ZINC000332747474 484267042 /nfs/dbraw/zinc/26/70/42/484267042.db2.gz SDVGJTQMMRHWEJ-STQMWFEESA-N 0 3 355.464 -0.250 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1C ZINC000332747474 484267038 /nfs/dbraw/zinc/26/70/38/484267038.db2.gz SDVGJTQMMRHWEJ-STQMWFEESA-N 0 3 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CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000332804573 484637457 /nfs/dbraw/zinc/63/74/57/484637457.db2.gz GRKXAVNTFKTQAG-RRFJBIMHSA-N 0 3 358.508 -0.400 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000332804574 484637998 /nfs/dbraw/zinc/63/79/98/484637998.db2.gz GRKXAVNTFKTQAG-ZNMIVQPWSA-N 0 3 358.508 -0.400 20 0 FBADHN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCN2CCC[C@H]2C1 ZINC000332821904 484637545 /nfs/dbraw/zinc/63/75/45/484637545.db2.gz BGRSTJHLWCSVIT-GJZGRUSLSA-N 0 3 374.507 -0.036 20 0 FBADHN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCN2CCC[C@H]2C1 ZINC000332821905 484637392 /nfs/dbraw/zinc/63/73/92/484637392.db2.gz BGRSTJHLWCSVIT-LSDHHAIUSA-N 0 3 374.507 -0.036 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000332839251 483524792 /nfs/dbraw/zinc/52/47/92/483524792.db2.gz HPVJYXMDDFMQLW-DRPJVOAASA-N 0 3 351.447 -0.008 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000332839252 483524911 /nfs/dbraw/zinc/52/49/11/483524911.db2.gz HPVJYXMDDFMQLW-QCEMKRCNSA-N 0 3 351.447 -0.008 20 0 FBADHN CN(C)[C@@]1(CNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)CCSC1 ZINC000332841126 484280106 /nfs/dbraw/zinc/28/01/06/484280106.db2.gz KEQWTYMXCWNLIE-CABCVRRESA-N 0 3 355.464 -0.241 20 0 FBADHN CN(C)[C@]1(CNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)CCSC1 ZINC000332841127 484280933 /nfs/dbraw/zinc/28/09/33/484280933.db2.gz KEQWTYMXCWNLIE-GJZGRUSLSA-N 0 3 355.464 -0.241 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000332862019 484282018 /nfs/dbraw/zinc/28/20/18/484282018.db2.gz FFHNTFUOSZOECL-KBPBESRZSA-N 0 3 372.491 -0.488 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000332862020 484283140 /nfs/dbraw/zinc/28/31/40/484283140.db2.gz FFHNTFUOSZOECL-KGLIPLIRSA-N 0 3 372.491 -0.488 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000332863293 483524422 /nfs/dbraw/zinc/52/44/22/483524422.db2.gz QPUNGUMZTZSPGT-GOEBONIOSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000332863295 483523941 /nfs/dbraw/zinc/52/39/41/483523941.db2.gz QPUNGUMZTZSPGT-HOCLYGCPSA-N 0 3 352.479 -0.234 20 0 FBADHN COCCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000332879840 484637251 /nfs/dbraw/zinc/63/72/51/484637251.db2.gz JYKKKMMUFNJAIV-OCCSQVGLSA-N 0 3 350.423 -0.455 20 0 FBADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000332879842 484637495 /nfs/dbraw/zinc/63/74/95/484637495.db2.gz JYKKKMMUFNJAIV-TZMCWYRMSA-N 0 3 350.423 -0.455 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)CCO1 ZINC000332881727 484284081 /nfs/dbraw/zinc/28/40/81/484284081.db2.gz CXJLXOGKBDRIEJ-HGTKMLMNSA-N 0 3 354.451 -0.215 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)CCO1 ZINC000332881729 484284369 /nfs/dbraw/zinc/28/43/69/484284369.db2.gz CXJLXOGKBDRIEJ-IXYNUQLISA-N 0 3 354.451 -0.215 20 0 FBADHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332882132 659946018 /nfs/dbraw/zinc/94/60/18/659946018.db2.gz HIUITIVKEPLLCK-MCIONIFRSA-N 0 3 372.491 -0.442 20 0 FBADHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332882133 484636818 /nfs/dbraw/zinc/63/68/18/484636818.db2.gz HIUITIVKEPLLCK-RDBSUJKOSA-N 0 3 372.491 -0.442 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000332888182 484638516 /nfs/dbraw/zinc/63/85/16/484638516.db2.gz YDYITBLDHCLDAY-DLBZAZTESA-N 0 3 353.511 -0.014 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000332888185 484639542 /nfs/dbraw/zinc/63/95/42/484639542.db2.gz YDYITBLDHCLDAY-IRXDYDNUSA-N 0 3 353.511 -0.014 20 0 FBADHN CN1CCC[C@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000332891534 484285231 /nfs/dbraw/zinc/28/52/31/484285231.db2.gz RMKAEWXJDMAUCU-GJZGRUSLSA-N 0 3 374.507 -0.083 20 0 FBADHN CN1CCC[C@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000332891538 484286027 /nfs/dbraw/zinc/28/60/27/484286027.db2.gz RMKAEWXJDMAUCU-LSDHHAIUSA-N 0 3 374.507 -0.083 20 0 FBADHN CN1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCN2C)CCOCC1 ZINC000332893465 484287108 /nfs/dbraw/zinc/28/71/08/484287108.db2.gz VWOZDYWQBYSROK-GJZGRUSLSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2CCCN2C)CCOCC1 ZINC000332893466 484288149 /nfs/dbraw/zinc/28/81/49/484288149.db2.gz VWOZDYWQBYSROK-HUUCEWRRSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCN2C)CCOCC1 ZINC000332893467 484288016 /nfs/dbraw/zinc/28/80/16/484288016.db2.gz VWOZDYWQBYSROK-LSDHHAIUSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000332907034 484639088 /nfs/dbraw/zinc/63/90/88/484639088.db2.gz DAMBDDBPMVMINR-DHMWGJHJSA-N 0 3 369.487 -0.379 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000332907035 484639685 /nfs/dbraw/zinc/63/96/85/484639685.db2.gz DAMBDDBPMVMINR-OSRDXIQISA-N 0 3 369.487 -0.379 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000332910291 484289428 /nfs/dbraw/zinc/28/94/28/484289428.db2.gz IXRVDCHZVCNJSW-GXTWGEPZSA-N 0 3 362.438 -0.990 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000332910296 484290316 /nfs/dbraw/zinc/29/03/16/484290316.db2.gz IXRVDCHZVCNJSW-JSGCOSHPSA-N 0 3 362.438 -0.990 20 0 FBADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000332917395 484289769 /nfs/dbraw/zinc/28/97/69/484289769.db2.gz CUWZKRQAKZCXMR-BZUAXINKSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000332917396 484289819 /nfs/dbraw/zinc/28/98/19/484289819.db2.gz CUWZKRQAKZCXMR-OAGGEKHMSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000332925039 484292084 /nfs/dbraw/zinc/29/20/84/484292084.db2.gz ADBQEMNYJRDBLY-GJZGRUSLSA-N 0 3 360.524 -0.200 20 0 FBADHN C[C@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000332925040 484290924 /nfs/dbraw/zinc/29/09/24/484290924.db2.gz ADBQEMNYJRDBLY-LSDHHAIUSA-N 0 3 360.524 -0.200 20 0 FBADHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000332925327 484639001 /nfs/dbraw/zinc/63/90/01/484639001.db2.gz OHZVHJXGSRMZBL-BARDWOONSA-N 0 3 371.503 -0.133 20 0 FBADHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000332925328 484639735 /nfs/dbraw/zinc/63/97/35/484639735.db2.gz OHZVHJXGSRMZBL-QPSCCSFWSA-N 0 3 371.503 -0.133 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000332926441 484292349 /nfs/dbraw/zinc/29/23/49/484292349.db2.gz FVXDSPQWCOGRMF-GJZGRUSLSA-N 0 3 360.524 -0.200 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000332926442 484291372 /nfs/dbraw/zinc/29/13/72/484291372.db2.gz FVXDSPQWCOGRMF-LSDHHAIUSA-N 0 3 360.524 -0.200 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)NC)CC2)CC1=O ZINC000332926912 484291633 /nfs/dbraw/zinc/29/16/33/484291633.db2.gz HOUADOFUFPHPCL-CABCVRRESA-N 0 3 365.478 -0.197 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)NC)CC2)CC1=O ZINC000332926918 484292416 /nfs/dbraw/zinc/29/24/16/484292416.db2.gz HOUADOFUFPHPCL-GJZGRUSLSA-N 0 3 365.478 -0.197 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCN1C ZINC000332928217 483489353 /nfs/dbraw/zinc/48/93/53/483489353.db2.gz NOXVYROBEMRCET-HOTGVXAUSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCN1C ZINC000332928218 483488837 /nfs/dbraw/zinc/48/88/37/483488837.db2.gz NOXVYROBEMRCET-JKSUJKDBSA-N 0 3 367.494 -0.345 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000332940629 484038375 /nfs/dbraw/zinc/03/83/75/484038375.db2.gz ZLWIZJARZPJHBO-HIFRSBDPSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000332940630 484038834 /nfs/dbraw/zinc/03/88/34/484038834.db2.gz ZLWIZJARZPJHBO-ZFWWWQNUSA-N 0 3 353.467 -0.151 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000332958640 484638914 /nfs/dbraw/zinc/63/89/14/484638914.db2.gz AHJXQBXDCSMPFZ-GJZGRUSLSA-N 0 3 353.467 -0.735 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000332958642 484639792 /nfs/dbraw/zinc/63/97/92/484639792.db2.gz AHJXQBXDCSMPFZ-LSDHHAIUSA-N 0 3 353.467 -0.735 20 0 FBADHN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000332959348 484639625 /nfs/dbraw/zinc/63/96/25/484639625.db2.gz BJTKHRXKFCBDQS-CABCVRRESA-N 0 3 365.478 -0.055 20 0 FBADHN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000332959350 484639425 /nfs/dbraw/zinc/63/94/25/484639425.db2.gz BJTKHRXKFCBDQS-HUUCEWRRSA-N 0 3 365.478 -0.055 20 0 FBADHN CC(C)N1C(=O)C[C@@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1=O ZINC000332961683 484992871 /nfs/dbraw/zinc/99/28/71/484992871.db2.gz LNURTZQDKWFKCL-CMPLNLGQSA-N 0 3 360.432 -0.379 20 0 FBADHN CC(C)N1C(=O)C[C@@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1=O ZINC000332961685 484992800 /nfs/dbraw/zinc/99/28/00/484992800.db2.gz LNURTZQDKWFKCL-ZYHUDNBSSA-N 0 3 360.432 -0.379 20 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536388713 /nfs/dbraw/zinc/38/87/13/536388713.db2.gz NMXMTYCEZOXYKQ-OLZOCXBDSA-N 0 3 365.434 -0.918 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000333398938 536367815 /nfs/dbraw/zinc/36/78/15/536367815.db2.gz NMXMTYCEZOXYKQ-QWHCGFSZSA-N 0 3 365.434 -0.918 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000333398940 245009841 /nfs/dbraw/zinc/00/98/41/245009841.db2.gz NMXMTYCEZOXYKQ-STQMWFEESA-N 0 3 365.434 -0.918 20 0 FBADHN C[C@H]1NCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H]1C ZINC000333411126 245011747 /nfs/dbraw/zinc/01/17/47/245011747.db2.gz REQAHQDZIQVQIQ-NEPJUHHUSA-N 0 3 350.510 -0.243 20 0 FBADHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000333411127 245012235 /nfs/dbraw/zinc/01/22/35/245012235.db2.gz REQAHQDZIQVQIQ-NWDGAFQWSA-N 0 3 350.510 -0.243 20 0 FBADHN C[C@@H]1NCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H]1C ZINC000333411128 245012913 /nfs/dbraw/zinc/01/29/13/245012913.db2.gz REQAHQDZIQVQIQ-RYUDHWBXSA-N 0 3 350.510 -0.243 20 0 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C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)CN1 ZINC000333426406 245011987 /nfs/dbraw/zinc/01/19/87/245011987.db2.gz UADNSWDPIJDHBX-RYUDHWBXSA-N 0 3 350.510 -0.243 20 0 FBADHN C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)CN1 ZINC000333426407 245012630 /nfs/dbraw/zinc/01/26/30/245012630.db2.gz UADNSWDPIJDHBX-VXGBXAGGSA-N 0 3 350.510 -0.243 20 0 FBADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000333426854 245012943 /nfs/dbraw/zinc/01/29/43/245012943.db2.gz GZIIGUFQZKRAET-CHWSQXEVSA-N 0 3 368.525 -0.920 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000333426855 245012763 /nfs/dbraw/zinc/01/27/63/245012763.db2.gz GZIIGUFQZKRAET-OLZOCXBDSA-N 0 3 368.525 -0.920 20 0 FBADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000333426856 245011328 /nfs/dbraw/zinc/01/13/28/245011328.db2.gz GZIIGUFQZKRAET-QWHCGFSZSA-N 0 3 368.525 -0.920 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000333426857 245011376 /nfs/dbraw/zinc/01/13/76/245011376.db2.gz GZIIGUFQZKRAET-STQMWFEESA-N 0 3 368.525 -0.920 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000333432738 535505139 /nfs/dbraw/zinc/50/51/39/535505139.db2.gz UWHSWMWMLAPFJL-AWEZNQCLSA-N 0 3 373.523 -0.510 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000333432742 535481272 /nfs/dbraw/zinc/48/12/72/535481272.db2.gz UWHSWMWMLAPFJL-CQSZACIVSA-N 0 3 373.523 -0.510 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000333436129 245011223 /nfs/dbraw/zinc/01/12/23/245011223.db2.gz KXYKNPSYAOUDLC-UHFFFAOYSA-N 0 3 360.480 -0.677 20 0 FBADHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000333442279 245014525 /nfs/dbraw/zinc/01/45/25/245014525.db2.gz JYXVDXNAAPULFS-KBPBESRZSA-N 0 3 351.451 -0.397 20 0 FBADHN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000333442281 245013799 /nfs/dbraw/zinc/01/37/99/245013799.db2.gz JYXVDXNAAPULFS-KGLIPLIRSA-N 0 3 351.451 -0.397 20 0 FBADHN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000333442283 245015559 /nfs/dbraw/zinc/01/55/59/245015559.db2.gz JYXVDXNAAPULFS-UONOGXRCSA-N 0 3 351.451 -0.397 20 0 FBADHN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000333442285 245014160 /nfs/dbraw/zinc/01/41/60/245014160.db2.gz JYXVDXNAAPULFS-ZIAGYGMSSA-N 0 3 351.451 -0.397 20 0 FBADHN CN1CCC(O)(CNC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000333450546 484133503 /nfs/dbraw/zinc/13/35/03/484133503.db2.gz NONNDMSDJCQZPI-UHFFFAOYSA-N 0 3 366.466 -0.207 20 0 FBADHN CN1CCN(CC2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)CC1 ZINC000333462153 245013835 /nfs/dbraw/zinc/01/38/35/245013835.db2.gz PVLMDFRLXYQAAU-UHFFFAOYSA-N 0 3 365.478 -0.196 20 0 FBADHN CN1CCN(CC2CCN(C(=O)NCCN3CCNC(=O)C3)CC2)CC1 ZINC000333474424 245014811 /nfs/dbraw/zinc/01/48/11/245014811.db2.gz RLCZMPDDBAHQFE-UHFFFAOYSA-N 0 3 366.510 -0.913 20 0 FBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333489451 245014846 /nfs/dbraw/zinc/01/48/46/245014846.db2.gz 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CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC(S(C)(=O)=O)C2)CC1=O ZINC000333497216 535549066 /nfs/dbraw/zinc/54/90/66/535549066.db2.gz JUEQWGKTOGOGGG-QWHCGFSZSA-N 0 3 357.476 -0.425 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CC(S(C)(=O)=O)C2)CC1=O ZINC000333497217 245016912 /nfs/dbraw/zinc/01/69/12/245016912.db2.gz JUEQWGKTOGOGGG-STQMWFEESA-N 0 3 357.476 -0.425 20 0 FBADHN Cc1noc(CN2CCN(C(=O)Nc3ccn(CCN(C)C)n3)CC2)n1 ZINC000333510110 484473858 /nfs/dbraw/zinc/47/38/58/484473858.db2.gz XLWBNXJIVRFUPS-UHFFFAOYSA-N 0 3 362.438 0.486 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC3(CNC(=O)N3C)CC2)CC1=O ZINC000333510618 535880118 /nfs/dbraw/zinc/88/01/18/535880118.db2.gz UIFJUKZFFACPKM-CYBMUJFWSA-N 0 3 351.451 -0.587 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC3(CNC(=O)N3C)CC2)CC1=O ZINC000333510619 535878259 /nfs/dbraw/zinc/87/82/59/535878259.db2.gz UIFJUKZFFACPKM-ZDUSSCGKSA-N 0 3 351.451 -0.587 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333530797 245016218 /nfs/dbraw/zinc/01/62/18/245016218.db2.gz IXVBZEAODLOMPF-WCBMZHEXSA-N 0 3 357.208 -0.078 20 0 FBADHN O=C(CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1)N1CCCCCC1 ZINC000333539325 245017751 /nfs/dbraw/zinc/01/77/51/245017751.db2.gz NQJWKGOVTPMZDL-INIZCTEOSA-N 0 3 367.494 -0.295 20 0 FBADHN O=C(CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1)N1CCCCCC1 ZINC000333539327 245018244 /nfs/dbraw/zinc/01/82/44/245018244.db2.gz NQJWKGOVTPMZDL-MRXNPFEDSA-N 0 3 367.494 -0.295 20 0 FBADHN C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CN1CCCC1 ZINC000333544836 245017684 /nfs/dbraw/zinc/01/76/84/245017684.db2.gz OWUYQGBTAWTOAV-CYBMUJFWSA-N 0 3 368.525 -0.870 20 0 FBADHN C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CN1CCCC1 ZINC000333544837 245018358 /nfs/dbraw/zinc/01/83/58/245018358.db2.gz OWUYQGBTAWTOAV-ZDUSSCGKSA-N 0 3 368.525 -0.870 20 0 FBADHN O=C(CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1)NC1CCCCC1 ZINC000333551759 245020694 /nfs/dbraw/zinc/02/06/94/245020694.db2.gz PJJCRELRWVMWPJ-INIZCTEOSA-N 0 3 367.494 -0.249 20 0 FBADHN O=C(CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1)NC1CCCCC1 ZINC000333551760 245019617 /nfs/dbraw/zinc/01/96/17/245019617.db2.gz PJJCRELRWVMWPJ-MRXNPFEDSA-N 0 3 367.494 -0.249 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)NCCC(=O)N3CCN(C)CC3)C[C@H]2N)cn1 ZINC000333557665 245020678 /nfs/dbraw/zinc/02/06/78/245020678.db2.gz KLLNEKYRHNPSOC-LSDHHAIUSA-N 0 3 363.466 -0.980 20 0 FBADHN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N1CCOC2(CNC2)C1 ZINC000333561272 245021650 /nfs/dbraw/zinc/02/16/50/245021650.db2.gz LJEWEUYTTANVRS-LLVKDONJSA-N 0 3 352.357 -0.367 20 0 FBADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1CCOC2(CNC2)C1 ZINC000333561274 245019653 /nfs/dbraw/zinc/01/96/53/245019653.db2.gz LJEWEUYTTANVRS-NSHDSACASA-N 0 3 352.357 -0.367 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)NCC(C)(C)N3CCOCC3)C[C@H]2N)cn1 ZINC000333565282 245020996 /nfs/dbraw/zinc/02/09/96/245020996.db2.gz LPMIFMVABUDPMI-LSDHHAIUSA-N 0 3 350.467 -0.033 20 0 FBADHN O=C(CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1)N1CCCCC1 ZINC000333568735 245020424 /nfs/dbraw/zinc/02/04/24/245020424.db2.gz 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-0.720 20 0 FBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333608559 245022849 /nfs/dbraw/zinc/02/28/49/245022849.db2.gz XRBVRXVQAWEZKJ-CABCVRRESA-N 0 3 353.467 -0.687 20 0 FBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333608563 245022198 /nfs/dbraw/zinc/02/21/98/245022198.db2.gz XRBVRXVQAWEZKJ-GJZGRUSLSA-N 0 3 353.467 -0.687 20 0 FBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333608565 245024564 /nfs/dbraw/zinc/02/45/64/245024564.db2.gz XRBVRXVQAWEZKJ-HUUCEWRRSA-N 0 3 353.467 -0.687 20 0 FBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333608567 245022567 /nfs/dbraw/zinc/02/25/67/245022567.db2.gz XRBVRXVQAWEZKJ-LSDHHAIUSA-N 0 3 353.467 -0.687 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CNCCO2)Cc2ccccc21 ZINC000333608696 245022425 /nfs/dbraw/zinc/02/24/25/245022425.db2.gz XRWOXPUQJUAAHT-AWEZNQCLSA-N 0 3 368.459 -0.034 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)NC[C@H]2CNCCO2)Cc2ccccc21 ZINC000333608698 245025148 /nfs/dbraw/zinc/02/51/48/245025148.db2.gz XRWOXPUQJUAAHT-CQSZACIVSA-N 0 3 368.459 -0.034 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)C[C@H]2N)cn1 ZINC000333611645 245023358 /nfs/dbraw/zinc/02/33/58/245023358.db2.gz SBJYAPOYGPMDNV-UONOGXRCSA-N 0 3 374.445 -0.072 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000333615630 245023523 /nfs/dbraw/zinc/02/35/23/245023523.db2.gz SPQQRYDRONADSZ-AEGPPILISA-N 0 3 369.491 -0.265 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000333615631 245024690 /nfs/dbraw/zinc/02/46/90/245024690.db2.gz SPQQRYDRONADSZ-VHDGCEQUSA-N 0 3 369.491 -0.265 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C[C@H]2N)cn1 ZINC000333615718 245024670 /nfs/dbraw/zinc/02/46/70/245024670.db2.gz SQWOGSLUIDXWJX-HZSPNIEDSA-N 0 3 370.479 -0.720 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C[C@H]2N)cn1 ZINC000333618691 245023685 /nfs/dbraw/zinc/02/36/85/245023685.db2.gz TVAXAAMXOOJHKI-APIJFGDWSA-N 0 3 359.430 -0.152 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C[C@H]2N)cn1 ZINC000333618696 245024301 /nfs/dbraw/zinc/02/43/01/245024301.db2.gz TVAXAAMXOOJHKI-LJISPDSOSA-N 0 3 359.430 -0.152 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C[C@H]2N)cn1 ZINC000333618697 245024023 /nfs/dbraw/zinc/02/40/23/245024023.db2.gz TVAXAAMXOOJHKI-ZQDZILKHSA-N 0 3 359.430 -0.152 20 0 FBADHN C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C1=CCN(C)CC1 ZINC000333634459 245022372 /nfs/dbraw/zinc/02/23/72/245022372.db2.gz SZGNXOZWVKXRRE-CYBMUJFWSA-N 0 3 371.507 -0.734 20 0 FBADHN C[C@H](NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C1=CCN(C)CC1 ZINC000333634461 245024553 /nfs/dbraw/zinc/02/45/53/245024553.db2.gz SZGNXOZWVKXRRE-ZDUSSCGKSA-N 0 3 371.507 -0.734 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC(=O)N2CCOC3(CNC3)C2)C1=O ZINC000333641592 245023110 /nfs/dbraw/zinc/02/31/10/245023110.db2.gz ULZRACHRHXSOHM-CYBMUJFWSA-N 0 3 362.434 -0.218 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCOC3(CNC3)C2)C1=O ZINC000333641595 245023570 /nfs/dbraw/zinc/02/35/70/245023570.db2.gz ULZRACHRHXSOHM-ZDUSSCGKSA-N 0 3 362.434 -0.218 20 0 FBADHN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)N1CCOC2(CNC2)C1 ZINC000333644492 245023866 /nfs/dbraw/zinc/02/38/66/245023866.db2.gz UWCSSOKQMSQLOR-JTQLQIEISA-N 0 3 350.341 -0.077 20 0 FBADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCOC2(CNC2)C1 ZINC000333644493 245022546 /nfs/dbraw/zinc/02/25/46/245022546.db2.gz UWCSSOKQMSQLOR-SNVBAGLBSA-N 0 3 350.341 -0.077 20 0 FBADHN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333651025 245024357 /nfs/dbraw/zinc/02/43/57/245024357.db2.gz ZAVSXDNECJMFGX-RRFJBIMHSA-N 0 3 369.491 -0.123 20 0 FBADHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333651026 535297259 /nfs/dbraw/zinc/29/72/59/535297259.db2.gz ZAVSXDNECJMFGX-ZNMIVQPWSA-N 0 3 369.491 -0.123 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)NCCN3CCOCC3(C)C)C[C@H]2N)cn1 ZINC000333654117 245023502 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FBADHN CC(C)N1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CNCCO3)CC2)C1 ZINC000333697252 535212907 /nfs/dbraw/zinc/21/29/07/535212907.db2.gz QJQQEDCHWGPAGI-SJORKVTESA-N 0 3 369.510 -0.589 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)NCCN2CCCOCC2)CC1 ZINC000333714523 245027914 /nfs/dbraw/zinc/02/79/14/245027914.db2.gz MUADDQUUDSXDJI-UHFFFAOYSA-N 0 3 355.483 -0.440 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nc3n(n2)CCCC3)CC1 ZINC000333726399 484141731 /nfs/dbraw/zinc/14/17/31/484141731.db2.gz VZNVAHDHEQVEQT-CYBMUJFWSA-N 0 3 361.450 0.385 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nc3n(n2)CCCC3)CC1 ZINC000333726400 484142958 /nfs/dbraw/zinc/14/29/58/484142958.db2.gz VZNVAHDHEQVEQT-ZDUSSCGKSA-N 0 3 361.450 0.385 20 0 FBADHN CN(C)C1(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCC1 ZINC000333747172 245025759 /nfs/dbraw/zinc/02/57/59/245025759.db2.gz SFCKPZUMVIOQKC-UHFFFAOYSA-N 0 3 367.494 -0.343 20 0 FBADHN CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1(N(C)C)CCC1 ZINC000333778216 536168971 /nfs/dbraw/zinc/16/89/71/536168971.db2.gz 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CN(C)CCN1C[C@@H](C(=O)N2CCC(C(=O)NC3CC3)CC2)CC1=O ZINC000365299105 535877127 /nfs/dbraw/zinc/87/71/27/535877127.db2.gz HLTQPWCOYGIMBN-AWEZNQCLSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC(C(=O)NC3CC3)CC2)CC1=O ZINC000365299106 535880889 /nfs/dbraw/zinc/88/08/89/535880889.db2.gz HLTQPWCOYGIMBN-CQSZACIVSA-N 0 3 350.463 -0.086 20 0 FBADHN CCCN1CCCN(CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)CC1 ZINC000365300880 245225506 /nfs/dbraw/zinc/22/55/06/245225506.db2.gz RXZKKYSULBXDAX-UHFFFAOYSA-N 0 3 367.450 -0.222 20 0 FBADHN C[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CCN1C1CCN(C)CC1 ZINC000365306316 245224821 /nfs/dbraw/zinc/22/48/21/245224821.db2.gz SHIWZDVONXDLSC-AWEZNQCLSA-N 0 3 358.508 -0.063 20 0 FBADHN C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CCN1C1CCN(C)CC1 ZINC000365306317 245226351 /nfs/dbraw/zinc/22/63/51/245226351.db2.gz SHIWZDVONXDLSC-CQSZACIVSA-N 0 3 358.508 -0.063 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)C1 ZINC000365325855 536364115 /nfs/dbraw/zinc/36/41/15/536364115.db2.gz IHKSVXOACGXYHT-CYBMUJFWSA-N 0 3 351.451 -0.445 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)C1 ZINC000365325856 536386725 /nfs/dbraw/zinc/38/67/25/536386725.db2.gz IHKSVXOACGXYHT-ZDUSSCGKSA-N 0 3 351.451 -0.445 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)C1 ZINC000365329992 536386482 /nfs/dbraw/zinc/38/64/82/536386482.db2.gz AEBVLBBMEBTTBQ-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)C1 ZINC000365329995 536364462 /nfs/dbraw/zinc/36/44/62/536364462.db2.gz AEBVLBBMEBTTBQ-MRXNPFEDSA-N 0 3 352.479 -0.136 20 0 FBADHN Cc1c([C@@H]2[C@H](C(=O)NC[C@@](C)(O)CN(C)C)CC(=O)N2C)cnn1C ZINC000365336014 245225951 /nfs/dbraw/zinc/22/59/51/245225951.db2.gz XXTNSPYHUKLXQT-ISTRZQFTSA-N 0 3 351.451 -0.323 20 0 FBADHN Cc1c([C@@H]2[C@@H](C(=O)NC[C@](C)(O)CN(C)C)CC(=O)N2C)cnn1C ZINC000365336016 245226055 /nfs/dbraw/zinc/22/60/55/245226055.db2.gz XXTNSPYHUKLXQT-NUTKFTJISA-N 0 3 351.451 -0.323 20 0 FBADHN Cc1c([C@@H]2[C@H](C(=O)NC[C@](C)(O)CN(C)C)CC(=O)N2C)cnn1C ZINC000365336018 245225429 /nfs/dbraw/zinc/22/54/29/245225429.db2.gz XXTNSPYHUKLXQT-PVUWLOKVSA-N 0 3 351.451 -0.323 20 0 FBADHN Cc1c([C@@H]2[C@@H](C(=O)NC[C@@](C)(O)CN(C)C)CC(=O)N2C)cnn1C ZINC000365336071 245223926 /nfs/dbraw/zinc/22/39/26/245223926.db2.gz XXTNSPYHUKLXQT-YLQAJVPDSA-N 0 3 351.451 -0.323 20 0 FBADHN COCCN1C[C@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1=O ZINC000365336459 245223902 /nfs/dbraw/zinc/22/39/02/245223902.db2.gz MSLMJCUGSHRLAU-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN COCCN1C[C@@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1=O ZINC000365336460 245226078 /nfs/dbraw/zinc/22/60/78/245226078.db2.gz MSLMJCUGSHRLAU-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN COCCN1C[C@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1=O ZINC000365336461 245225643 /nfs/dbraw/zinc/22/56/43/245225643.db2.gz MSLMJCUGSHRLAU-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN COCCN1C[C@@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1=O ZINC000365336462 245226666 /nfs/dbraw/zinc/22/66/66/245226666.db2.gz MSLMJCUGSHRLAU-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H](CO)N1CCCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000365340363 245226592 /nfs/dbraw/zinc/22/65/92/245226592.db2.gz AXQPPFAIGFSLDP-INIZCTEOSA-N 0 3 362.478 -0.486 20 0 FBADHN C[C@H](CO)N1CCCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000365340366 245224721 /nfs/dbraw/zinc/22/47/21/245224721.db2.gz AXQPPFAIGFSLDP-MRXNPFEDSA-N 0 3 362.478 -0.486 20 0 FBADHN COCCN(C(=O)CN[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000365344607 245225916 /nfs/dbraw/zinc/22/59/16/245225916.db2.gz OQVMMFUWSCQZCH-FMKPAKJESA-N 0 3 360.476 -0.194 20 0 FBADHN COCCN(C(=O)CN[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000365344610 245223870 /nfs/dbraw/zinc/22/38/70/245223870.db2.gz OQVMMFUWSCQZCH-IIAWOOMASA-N 0 3 360.476 -0.194 20 0 FBADHN COCCN(C(=O)CN[C@@H]1CCO[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000365344611 245225360 /nfs/dbraw/zinc/22/53/60/245225360.db2.gz OQVMMFUWSCQZCH-LZWOXQAQSA-N 0 3 360.476 -0.194 20 0 FBADHN COCCN(C(=O)CN[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000365344612 245225565 /nfs/dbraw/zinc/22/55/65/245225565.db2.gz OQVMMFUWSCQZCH-SQWLQELKSA-N 0 3 360.476 -0.194 20 0 FBADHN COCCN(C)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000365357056 245224968 /nfs/dbraw/zinc/22/49/68/245224968.db2.gz MPANNZPEZPDSKY-BBRMVZONSA-N 0 3 351.451 -0.058 20 0 FBADHN COCCN(C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000365357061 245224671 /nfs/dbraw/zinc/22/46/71/245224671.db2.gz MPANNZPEZPDSKY-CJNGLKHVSA-N 0 3 351.451 -0.058 20 0 FBADHN COCCN(C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000365357062 245223798 /nfs/dbraw/zinc/22/37/98/245223798.db2.gz MPANNZPEZPDSKY-CZUORRHYSA-N 0 3 351.451 -0.058 20 0 FBADHN COCCN(C)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000365357063 245225630 /nfs/dbraw/zinc/22/56/30/245225630.db2.gz MPANNZPEZPDSKY-XJKSGUPXSA-N 0 3 351.451 -0.058 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365358204 245224567 /nfs/dbraw/zinc/22/45/67/245224567.db2.gz PCOBQIDGVWFFGF-CYBMUJFWSA-N 0 3 362.496 -0.180 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365358205 245225755 /nfs/dbraw/zinc/22/57/55/245225755.db2.gz PCOBQIDGVWFFGF-ZDUSSCGKSA-N 0 3 362.496 -0.180 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC000365360616 536387294 /nfs/dbraw/zinc/38/72/94/536387294.db2.gz NZJPZYAEGIWAEV-INIZCTEOSA-N 0 3 372.535 -0.104 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC000365360629 536364686 /nfs/dbraw/zinc/36/46/86/536364686.db2.gz NZJPZYAEGIWAEV-MRXNPFEDSA-N 0 3 372.535 -0.104 20 0 FBADHN NC(=O)Cn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000365377187 245229385 /nfs/dbraw/zinc/22/93/85/245229385.db2.gz GTMFEONLCXYGSH-HNNXBMFYSA-N 0 3 372.429 -0.216 20 0 FBADHN NC(=O)Cn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000365377188 245228806 /nfs/dbraw/zinc/22/88/06/245228806.db2.gz GTMFEONLCXYGSH-OAHLLOKOSA-N 0 3 372.429 -0.216 20 0 FBADHN CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000365397239 245228420 /nfs/dbraw/zinc/22/84/20/245228420.db2.gz VFLHCLGHUWYPRQ-BBRMVZONSA-N 0 3 351.451 -0.322 20 0 FBADHN CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000365397242 245227422 /nfs/dbraw/zinc/22/74/22/245227422.db2.gz VFLHCLGHUWYPRQ-CJNGLKHVSA-N 0 3 351.451 -0.322 20 0 FBADHN CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000365397243 245228712 /nfs/dbraw/zinc/22/87/12/245228712.db2.gz VFLHCLGHUWYPRQ-CZUORRHYSA-N 0 3 351.451 -0.322 20 0 FBADHN CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000365397244 245227213 /nfs/dbraw/zinc/22/72/13/245227213.db2.gz VFLHCLGHUWYPRQ-XJKSGUPXSA-N 0 3 351.451 -0.322 20 0 FBADHN CC(=O)NCCNC(=O)CCC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365400244 245229361 /nfs/dbraw/zinc/22/93/61/245229361.db2.gz DRKRFNZOIBBGOO-UHFFFAOYSA-N 0 3 368.478 -0.268 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000365426997 245229480 /nfs/dbraw/zinc/22/94/80/245229480.db2.gz MAJNMBOIRDKUQO-UHFFFAOYSA-N 0 3 355.464 -0.169 20 0 FBADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000365432289 245227139 /nfs/dbraw/zinc/22/71/39/245227139.db2.gz XMISGOPOYBLDPL-CYBMUJFWSA-N 0 3 366.443 -0.031 20 0 FBADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000365432290 245227846 /nfs/dbraw/zinc/22/78/46/245227846.db2.gz XMISGOPOYBLDPL-ZDUSSCGKSA-N 0 3 366.443 -0.031 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C)CC1=O ZINC000365499873 245232059 /nfs/dbraw/zinc/23/20/59/245232059.db2.gz DOMCJRSISLQRPM-QLFBSQMISA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C)CC1=O ZINC000365499874 535552711 /nfs/dbraw/zinc/55/27/11/535552711.db2.gz DOMCJRSISLQRPM-RBSFLKMASA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1=O ZINC000365499875 535553638 /nfs/dbraw/zinc/55/36/38/535553638.db2.gz DOMCJRSISLQRPM-RRFJBIMHSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1=O ZINC000365499876 245232515 /nfs/dbraw/zinc/23/25/15/245232515.db2.gz DOMCJRSISLQRPM-SOUVJXGZSA-N 0 3 371.503 -0.035 20 0 FBADHN CN1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000365507779 536413128 /nfs/dbraw/zinc/41/31/28/536413128.db2.gz MMEFDSXQFIOOQE-AWEZNQCLSA-N 0 3 360.524 -0.200 20 0 FBADHN CN1CCN(C[C@H]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000365507782 536415352 /nfs/dbraw/zinc/41/53/52/536415352.db2.gz MMEFDSXQFIOOQE-CQSZACIVSA-N 0 3 360.524 -0.200 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(C4CC4)CC3)n2)CC1 ZINC000365508429 484135480 /nfs/dbraw/zinc/13/54/80/484135480.db2.gz KXOYZCRRASVBBH-UHFFFAOYSA-N 0 3 360.462 0.395 20 0 FBADHN CCOC(=O)N1CCN(C(=O)CN2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000365556802 245235827 /nfs/dbraw/zinc/23/58/27/245235827.db2.gz ZLCSBUHLYRJJIL-INIZCTEOSA-N 0 3 368.478 -0.059 20 0 FBADHN CCOC(=O)N1CCN(C(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000365556809 245235472 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/nfs/dbraw/zinc/31/55/73/245315573.db2.gz MPEJZKCBDXILAO-UONOGXRCSA-N 0 3 360.524 -0.201 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000367045533 245313464 /nfs/dbraw/zinc/31/34/64/245313464.db2.gz MPEJZKCBDXILAO-ZIAGYGMSSA-N 0 3 360.524 -0.201 20 0 FBADHN CCN(C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1)S(C)(=O)=O ZINC000367051622 245314822 /nfs/dbraw/zinc/31/48/22/245314822.db2.gz AYBJHVJHOKOKSE-HNNXBMFYSA-N 0 3 358.508 -0.351 20 0 FBADHN CCN(C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1)S(C)(=O)=O ZINC000367051623 245314620 /nfs/dbraw/zinc/31/46/20/245314620.db2.gz AYBJHVJHOKOKSE-OAHLLOKOSA-N 0 3 358.508 -0.351 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000367051915 245315304 /nfs/dbraw/zinc/31/53/04/245315304.db2.gz FTJCQHQCHNKIQL-HNNXBMFYSA-N 0 3 358.508 -0.351 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000367051916 245314166 /nfs/dbraw/zinc/31/41/66/245314166.db2.gz FTJCQHQCHNKIQL-OAHLLOKOSA-N 0 3 358.508 -0.351 20 0 FBADHN O=C(CNC(=O)[C@@H]1CN2CCN1CCC2)Nc1ccc(-n2cncn2)cc1 ZINC000367052045 245312984 /nfs/dbraw/zinc/31/29/84/245312984.db2.gz HDGNEGRQDAIESB-INIZCTEOSA-N 0 3 369.429 -0.288 20 0 FBADHN O=C(CNC(=O)[C@H]1CN2CCN1CCC2)Nc1ccc(-n2cncn2)cc1 ZINC000367052046 245313916 /nfs/dbraw/zinc/31/39/16/245313916.db2.gz HDGNEGRQDAIESB-MRXNPFEDSA-N 0 3 369.429 -0.288 20 0 FBADHN COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000367057674 536532961 /nfs/dbraw/zinc/53/29/61/536532961.db2.gz LTKYBYBXWTWOOM-CABCVRRESA-N 0 3 356.467 -0.109 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000367057675 245315620 /nfs/dbraw/zinc/31/56/20/245315620.db2.gz LTKYBYBXWTWOOM-GJZGRUSLSA-N 0 3 356.467 -0.109 20 0 FBADHN C[C@@H](N)C(=O)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000367062830 484103039 /nfs/dbraw/zinc/10/30/39/484103039.db2.gz QCGWLHORWTYXKX-HZSPNIEDSA-N 0 3 352.460 -0.403 20 0 FBADHN C[C@@H](N)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000367062831 661630674 /nfs/dbraw/zinc/63/06/74/661630674.db2.gz QCGWLHORWTYXKX-RDBSUJKOSA-N 0 3 352.460 -0.403 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(Cn3ccnn3)CC2)n1 ZINC000367073945 245313990 /nfs/dbraw/zinc/31/39/90/245313990.db2.gz NBMBZRKVUMBNSI-UHFFFAOYSA-N 0 3 361.454 -0.552 20 0 FBADHN CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000367111425 535053651 /nfs/dbraw/zinc/05/36/51/535053651.db2.gz XFSGCFGAQYLZLQ-KRWDZBQOSA-N 0 3 367.538 -0.070 20 0 FBADHN CCCNC(=O)CN(C)C(=O)CN1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000367111426 535056691 /nfs/dbraw/zinc/05/66/91/535056691.db2.gz XFSGCFGAQYLZLQ-QGZVFWFLSA-N 0 3 367.538 -0.070 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC(=O)N1C ZINC000367113339 484489652 /nfs/dbraw/zinc/48/96/52/484489652.db2.gz LONJKTVIVQBZAR-GFCCVEGCSA-N 0 3 362.434 -0.223 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC(=O)N1C ZINC000367113343 484155066 /nfs/dbraw/zinc/15/50/66/484155066.db2.gz LONJKTVIVQBZAR-LBPRGKRZSA-N 0 3 362.434 -0.223 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]2(C(N)=O)CCCOC2)CC1=O ZINC000367116911 535555969 /nfs/dbraw/zinc/55/59/69/535555969.db2.gz JKILVRQHVIBSGA-HBUWYVDXSA-N 0 3 366.462 -0.530 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@]2(C(N)=O)CCCOC2)CC1=O ZINC000367116912 535551259 /nfs/dbraw/zinc/55/12/59/535551259.db2.gz JKILVRQHVIBSGA-IYOUNJFTSA-N 0 3 366.462 -0.530 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]2(C(N)=O)CCCOC2)CC1=O ZINC000367116913 535556674 /nfs/dbraw/zinc/55/66/74/535556674.db2.gz JKILVRQHVIBSGA-LBTNJELSSA-N 0 3 366.462 -0.530 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@]2(C(N)=O)CCCOC2)CC1=O ZINC000367116914 535551410 /nfs/dbraw/zinc/55/14/10/535551410.db2.gz JKILVRQHVIBSGA-PMUMKWKESA-N 0 3 366.462 -0.530 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C(=O)NCCF)CC1=O ZINC000367119684 535554915 /nfs/dbraw/zinc/55/49/15/535554915.db2.gz SABGSZCJPUCEHT-BFHYXJOUSA-N 0 3 356.442 -0.090 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)C(=O)NCCF)CC1=O ZINC000367119685 535552243 /nfs/dbraw/zinc/55/22/43/535552243.db2.gz SABGSZCJPUCEHT-HZSPNIEDSA-N 0 3 356.442 -0.090 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C(=O)NCCF)CC1=O ZINC000367119686 535550648 /nfs/dbraw/zinc/55/06/48/535550648.db2.gz SABGSZCJPUCEHT-MELADBBJSA-N 0 3 356.442 -0.090 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C(=O)NCCF)CC1=O ZINC000367119687 535554857 /nfs/dbraw/zinc/55/48/57/535554857.db2.gz SABGSZCJPUCEHT-MGPQQGTHSA-N 0 3 356.442 -0.090 20 0 FBADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000367146985 245321353 /nfs/dbraw/zinc/32/13/53/245321353.db2.gz DOOKSPGYEYSFFD-INIZCTEOSA-N 0 3 351.495 -0.611 20 0 FBADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000367146988 245320457 /nfs/dbraw/zinc/32/04/57/245320457.db2.gz DOOKSPGYEYSFFD-MRXNPFEDSA-N 0 3 351.495 -0.611 20 0 FBADHN O=C(CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1)N1CCCCC1 ZINC000367148009 245321311 /nfs/dbraw/zinc/32/13/11/245321311.db2.gz IWPAUJVWYNZQQD-KRWDZBQOSA-N 0 3 363.506 -0.467 20 0 FBADHN O=C(CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1)N1CCCCC1 ZINC000367148015 245321292 /nfs/dbraw/zinc/32/12/92/245321292.db2.gz IWPAUJVWYNZQQD-QGZVFWFLSA-N 0 3 363.506 -0.467 20 0 FBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000367155907 245320154 /nfs/dbraw/zinc/32/01/54/245320154.db2.gz BORHAAWBURVAQA-KRWDZBQOSA-N 0 3 373.505 -0.505 20 0 FBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@H]1CN2CCN1CCC2 ZINC000367155910 245319993 /nfs/dbraw/zinc/31/99/93/245319993.db2.gz BORHAAWBURVAQA-QGZVFWFLSA-N 0 3 373.505 -0.505 20 0 FBADHN CCCNC(=O)CN1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000367159995 245321487 /nfs/dbraw/zinc/32/14/87/245321487.db2.gz PNJGJBUKMFBJCW-INIZCTEOSA-N 0 3 351.495 -0.517 20 0 FBADHN CCCNC(=O)CN1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000367159996 245320424 /nfs/dbraw/zinc/32/04/24/245320424.db2.gz PNJGJBUKMFBJCW-MRXNPFEDSA-N 0 3 351.495 -0.517 20 0 FBADHN Cn1cc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)n(C)c1=O ZINC000367166777 245321569 /nfs/dbraw/zinc/32/15/69/245321569.db2.gz VRGLPBCWMSHVDA-HNNXBMFYSA-N 0 3 372.425 -0.147 20 0 FBADHN Cn1cc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)n(C)c1=O ZINC000367166781 245320217 /nfs/dbraw/zinc/32/02/17/245320217.db2.gz VRGLPBCWMSHVDA-OAHLLOKOSA-N 0 3 372.425 -0.147 20 0 FBADHN O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367185368 245320884 /nfs/dbraw/zinc/32/08/84/245320884.db2.gz JIEZQTOXNSJBLB-CABCVRRESA-N 0 3 356.382 -0.543 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367191844 245320794 /nfs/dbraw/zinc/32/07/94/245320794.db2.gz OYVKIBULXSAIBX-RTXFEEFZSA-N 0 3 357.407 -0.308 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367191845 245320728 /nfs/dbraw/zinc/32/07/28/245320728.db2.gz OYVKIBULXSAIBX-UHTWSYAYSA-N 0 3 357.407 -0.308 20 0 FBADHN CN1CCN(C(=O)CCN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367218664 536402163 /nfs/dbraw/zinc/40/21/63/536402163.db2.gz ISHCGSMIIJRYJU-HNNXBMFYSA-N 0 3 358.508 -0.350 20 0 FBADHN CN1CCN(C(=O)CCN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000367218665 536402580 /nfs/dbraw/zinc/40/25/80/536402580.db2.gz ISHCGSMIIJRYJU-OAHLLOKOSA-N 0 3 358.508 -0.350 20 0 FBADHN Cc1nc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)sc1S(N)(=O)=O ZINC000367220071 245324568 /nfs/dbraw/zinc/32/45/68/245324568.db2.gz QNZRBUUTHJBCFB-LLVKDONJSA-N 0 3 373.504 -0.158 20 0 FBADHN Cc1nc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)sc1S(N)(=O)=O ZINC000367220072 245325248 /nfs/dbraw/zinc/32/52/48/245325248.db2.gz QNZRBUUTHJBCFB-NSHDSACASA-N 0 3 373.504 -0.158 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC000367246424 245323478 /nfs/dbraw/zinc/32/34/78/245323478.db2.gz MEJVLRRWNMKURH-ZIAGYGMSSA-N 0 3 356.467 -0.016 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000367259244 245324830 /nfs/dbraw/zinc/32/48/30/245324830.db2.gz VALZCFLPBMUAGR-CYBMUJFWSA-N 0 3 352.435 -0.906 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)CN[C@H]1CCC(=O)NC12CCC2 ZINC000367259246 245326089 /nfs/dbraw/zinc/32/60/89/245326089.db2.gz VALZCFLPBMUAGR-ZDUSSCGKSA-N 0 3 352.435 -0.906 20 0 FBADHN CCn1nc2c(cc1=O)CN(c1nc(NCCO)nc(NC(C)C)n1)CC2 ZINC000367264145 245326564 /nfs/dbraw/zinc/32/65/64/245326564.db2.gz KNKSSWUENNGELW-UHFFFAOYSA-N 0 3 374.449 -0.921 20 0 FBADHN CC(C)NC(=O)CN1CCCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000367267445 245327866 /nfs/dbraw/zinc/32/78/66/245327866.db2.gz PSUDTJNMLSZNPH-UHFFFAOYSA-N 0 3 353.511 -0.317 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2COC3(CCCC3)O2)n1 ZINC000367278982 245327566 /nfs/dbraw/zinc/32/75/66/245327566.db2.gz PRSHUHGGXQHRPS-GFCCVEGCSA-N 0 3 352.439 -0.541 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2COC3(CCCC3)O2)n1 ZINC000367278983 245325774 /nfs/dbraw/zinc/32/57/74/245325774.db2.gz PRSHUHGGXQHRPS-LBPRGKRZSA-N 0 3 352.439 -0.541 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCOC3(CCOCC3)C2)n1 ZINC000367279470 245327729 /nfs/dbraw/zinc/32/77/29/245327729.db2.gz WIFABJCODPNYSF-UHFFFAOYSA-N 0 3 352.439 -0.674 20 0 FBADHN Cn1cc(N2CC[C@H](N3CCC(N4CCC[C@H]4C(N)=O)CC3)C2=O)cn1 ZINC000367294966 245326133 /nfs/dbraw/zinc/32/61/33/245326133.db2.gz GPPLIMCLPKBMNF-HOTGVXAUSA-N 0 3 360.462 -0.061 20 0 FBADHN Cn1cc(N2CC[C@@H](N3CCC(N4CCC[C@H]4C(N)=O)CC3)C2=O)cn1 ZINC000367294967 245326806 /nfs/dbraw/zinc/32/68/06/245326806.db2.gz GPPLIMCLPKBMNF-JKSUJKDBSA-N 0 3 360.462 -0.061 20 0 FBADHN CN1CCN(C(=O)CCN2CCN(C3(C(N)=O)CCCCC3)CC2)CC1 ZINC000367299580 536402296 /nfs/dbraw/zinc/40/22/96/536402296.db2.gz PROCTWBAXDDEHN-UHFFFAOYSA-N 0 3 365.522 -0.044 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000367304939 536388636 /nfs/dbraw/zinc/38/86/36/536388636.db2.gz IOUKQDNYJZPQBE-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000367304940 536366922 /nfs/dbraw/zinc/36/69/22/536366922.db2.gz IOUKQDNYJZPQBE-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(CCC(=O)N3CCN(C)CC3)C2)nn1 ZINC000367305548 245327045 /nfs/dbraw/zinc/32/70/45/245327045.db2.gz ORIOKHMMMPFMSN-CYBMUJFWSA-N 0 3 350.423 -0.524 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(CCC(=O)N3CCN(C)CC3)C2)nn1 ZINC000367305549 245329070 /nfs/dbraw/zinc/32/90/70/245329070.db2.gz ORIOKHMMMPFMSN-ZDUSSCGKSA-N 0 3 350.423 -0.524 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)nn1 ZINC000367316264 536759363 /nfs/dbraw/zinc/75/93/63/536759363.db2.gz CMXSAGRIVPFVAK-FVQBIDKESA-N 0 3 366.466 -0.522 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)nn1 ZINC000367316265 536759118 /nfs/dbraw/zinc/75/91/18/536759118.db2.gz CMXSAGRIVPFVAK-NUEKZKHPSA-N 0 3 366.466 -0.522 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H](Cc3cnn(C)c3)C2)n1 ZINC000367326821 245327797 /nfs/dbraw/zinc/32/77/97/245327797.db2.gz MCCWRYQSGRWVCH-CYBMUJFWSA-N 0 3 360.466 -0.258 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 ZINC000367326822 245328809 /nfs/dbraw/zinc/32/88/09/245328809.db2.gz MCCWRYQSGRWVCH-ZDUSSCGKSA-N 0 3 360.466 -0.258 20 0 FBADHN CCO[C@@H]1C[C@H](Nc2nc(NCCO)nc(NC(C)C)n2)[C@@]12CCCO2 ZINC000367330634 245327070 /nfs/dbraw/zinc/32/70/70/245327070.db2.gz ANVWXTZQVJNIBR-AHIWAGSCSA-N 0 3 366.466 -0.500 20 0 FBADHN CCO[C@@H]1C[C@H](Nc2nc(NCCO)nc(NC(C)C)n2)[C@]12CCCO2 ZINC000367330635 245326730 /nfs/dbraw/zinc/32/67/30/245326730.db2.gz ANVWXTZQVJNIBR-OGHNNQOOSA-N 0 3 366.466 -0.500 20 0 FBADHN CCO[C@@H]1C[C@@H](Nc2nc(NCCO)nc(NC(C)C)n2)[C@]12CCCO2 ZINC000367330636 245328667 /nfs/dbraw/zinc/32/86/67/245328667.db2.gz ANVWXTZQVJNIBR-PBFPGSCMSA-N 0 3 366.466 -0.500 20 0 FBADHN CCO[C@@H]1C[C@@H](Nc2nc(NCCO)nc(NC(C)C)n2)[C@@]12CCCO2 ZINC000367330637 245328611 /nfs/dbraw/zinc/32/86/11/245328611.db2.gz ANVWXTZQVJNIBR-XNJGSVPQSA-N 0 3 366.466 -0.500 20 0 FBADHN Cc1nc(CNc2nc(NCCO)nc(NC(C)C)n2)c2n1CCCC2 ZINC000367331011 245326224 /nfs/dbraw/zinc/32/62/24/245326224.db2.gz CLOKVWVIYMXRPQ-UHFFFAOYSA-N 0 3 360.466 -0.185 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2cccc(-n3cncn3)c2)n1 ZINC000367333617 245328169 /nfs/dbraw/zinc/32/81/69/245328169.db2.gz TVZCIPNXAXXRBG-UHFFFAOYSA-N 0 3 369.433 -0.445 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C3CCOCC3)CC2)n1 ZINC000367334338 245327117 /nfs/dbraw/zinc/32/71/17/245327117.db2.gz ZAAMSGKZEGIHPK-UHFFFAOYSA-N 0 3 365.482 -0.759 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCCN(C(=O)C(C)C)CC2)n1 ZINC000367338795 245326291 /nfs/dbraw/zinc/32/62/91/245326291.db2.gz FEUZUPBUYXTALA-UHFFFAOYSA-N 0 3 365.482 -0.365 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367357420 483908270 /nfs/dbraw/zinc/90/82/70/483908270.db2.gz BCAURAGSRRNSQV-JTQLQIEISA-N 0 3 364.431 -0.234 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367357421 245330777 /nfs/dbraw/zinc/33/07/77/245330777.db2.gz BCAURAGSRRNSQV-SNVBAGLBSA-N 0 3 364.431 -0.234 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(N3CCCC3=O)CC2)n1 ZINC000367362556 245331472 /nfs/dbraw/zinc/33/14/72/245331472.db2.gz ICZXPKRLMBPZIX-UHFFFAOYSA-N 0 3 363.466 -0.469 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000367364050 245330129 /nfs/dbraw/zinc/33/01/29/245330129.db2.gz XAJWEMZBCXRMLW-AWEZNQCLSA-N 0 3 365.482 -0.902 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H](CN3CCOCC3)C2)n1 ZINC000367364051 245331078 /nfs/dbraw/zinc/33/10/78/245331078.db2.gz XAJWEMZBCXRMLW-CQSZACIVSA-N 0 3 365.482 -0.902 20 0 FBADHN NC(=O)NC(=O)OCCCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000367370084 245332170 /nfs/dbraw/zinc/33/21/70/245332170.db2.gz ANBGGRRWDLMKQR-UHFFFAOYSA-N 0 3 364.406 -0.112 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000367371430 245330312 /nfs/dbraw/zinc/33/03/12/245330312.db2.gz QADPGORATAIHIP-ILXRZTDVSA-N 0 3 356.467 -0.870 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000367371431 245331117 /nfs/dbraw/zinc/33/11/17/245331117.db2.gz QADPGORATAIHIP-KFWWJZLASA-N 0 3 356.467 -0.870 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000367371432 245332064 /nfs/dbraw/zinc/33/20/64/245332064.db2.gz QADPGORATAIHIP-KKUMJFAQSA-N 0 3 356.467 -0.870 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000367371433 245332864 /nfs/dbraw/zinc/33/28/64/245332864.db2.gz QADPGORATAIHIP-ZNMIVQPWSA-N 0 3 356.467 -0.870 20 0 FBADHN Cn1c2[n-]c(C[NH2+]C3(CO)Cc4ccccc4C3)nc2c(=O)n(C)c1=O ZINC000367372275 245331046 /nfs/dbraw/zinc/33/10/46/245331046.db2.gz QMHOYSRPFWMGKH-UHFFFAOYSA-N 0 3 355.398 -0.420 20 0 FBADHN C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000367373895 245329531 /nfs/dbraw/zinc/32/95/31/245329531.db2.gz DHSUVTUQNNSRIN-YUMQZZPRSA-N 0 3 363.187 -0.130 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)N(C)CCCN2CCN(C)CC2)nn1 ZINC000367377633 245332454 /nfs/dbraw/zinc/33/24/54/245332454.db2.gz LFPIYYXDGCLOBG-HZPDHXFCSA-N 0 3 366.466 -0.426 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000367382751 536078490 /nfs/dbraw/zinc/07/84/90/536078490.db2.gz YRFTXUWGCCOZCM-UHFFFAOYSA-N 0 3 361.489 -0.009 20 0 FBADHN COC(=O)CCNC(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000367384241 245330968 /nfs/dbraw/zinc/33/09/68/245330968.db2.gz MKHIJOJQYHEAMW-UHFFFAOYSA-N 0 3 351.407 -0.013 20 0 FBADHN O=C(CN1CCN(C(=O)CN2CC3CCC2CC3)CC1)N1CCOCC1 ZINC000367396979 245332341 /nfs/dbraw/zinc/33/23/41/245332341.db2.gz PELNQCXGCYVUJE-UHFFFAOYSA-N 0 3 364.490 -0.136 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1C ZINC000367401908 245331391 /nfs/dbraw/zinc/33/13/91/245331391.db2.gz NLNHFSJYPMGYPK-INIZCTEOSA-N 0 3 369.491 -0.001 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn1C ZINC000367401909 245332546 /nfs/dbraw/zinc/33/25/46/245332546.db2.gz NLNHFSJYPMGYPK-MRXNPFEDSA-N 0 3 369.491 -0.001 20 0 FBADHN C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000367405369 245329749 /nfs/dbraw/zinc/32/97/49/245329749.db2.gz OKPFGTXDEILYMJ-IUCAKERBSA-N 0 3 371.394 -0.645 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC(O)(c3ccc(F)cc3)C2)n1 ZINC000367417428 245334061 /nfs/dbraw/zinc/33/40/61/245334061.db2.gz GIRJINIARRGIGT-UHFFFAOYSA-N 0 3 362.409 -0.213 20 0 FBADHN COCCCN1CCCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000367419610 245336351 /nfs/dbraw/zinc/33/63/51/245336351.db2.gz NMOBVGBVUQCJAV-UHFFFAOYSA-N 0 3 367.498 -0.512 20 0 FBADHN COC(=O)[C@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)CC12CCC2 ZINC000367442879 245336241 /nfs/dbraw/zinc/33/62/41/245336241.db2.gz MBXNCQXCJXKXTK-GFCCVEGCSA-N 0 3 364.450 -0.281 20 0 FBADHN COC(=O)[C@@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)CC12CCC2 ZINC000367442880 245335496 /nfs/dbraw/zinc/33/54/96/245335496.db2.gz MBXNCQXCJXKXTK-LBPRGKRZSA-N 0 3 364.450 -0.281 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CCN1C1CCN(C)CC1 ZINC000367444463 245333985 /nfs/dbraw/zinc/33/39/85/245333985.db2.gz FAJVQZFZAQVGTH-CYBMUJFWSA-N 0 3 351.451 -0.493 20 0 FBADHN C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CCN1C1CCN(C)CC1 ZINC000367444464 245333918 /nfs/dbraw/zinc/33/39/18/245333918.db2.gz FAJVQZFZAQVGTH-ZDUSSCGKSA-N 0 3 351.451 -0.493 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)OC3(CCOCC3)C2)n1 ZINC000367452041 245335366 /nfs/dbraw/zinc/33/53/66/245335366.db2.gz VRISZPYOSLYALK-CYBMUJFWSA-N 0 3 366.466 -0.286 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)OC3(CCOCC3)C2)n1 ZINC000367452044 245334487 /nfs/dbraw/zinc/33/44/87/245334487.db2.gz VRISZPYOSLYALK-ZDUSSCGKSA-N 0 3 366.466 -0.286 20 0 FBADHN COC(=O)c1cn(CC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)nn1 ZINC000367453319 245334901 /nfs/dbraw/zinc/33/49/01/245334901.db2.gz AZYMMHMJJFZKEB-AWEZNQCLSA-N 0 3 364.450 -0.307 20 0 FBADHN COC(=O)c1cn(CC(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)nn1 ZINC000367453320 245333956 /nfs/dbraw/zinc/33/39/56/245333956.db2.gz AZYMMHMJJFZKEB-CQSZACIVSA-N 0 3 364.450 -0.307 20 0 FBADHN C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CCN1C1CCN(C)CC1 ZINC000367453582 245333941 /nfs/dbraw/zinc/33/39/41/245333941.db2.gz DPOJBHMAKCAWDE-AWEZNQCLSA-N 0 3 360.524 -0.105 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CCN1C1CCN(C)CC1 ZINC000367453583 245334689 /nfs/dbraw/zinc/33/46/89/245334689.db2.gz DPOJBHMAKCAWDE-CQSZACIVSA-N 0 3 360.524 -0.105 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1 ZINC000367457178 245336134 /nfs/dbraw/zinc/33/61/34/245336134.db2.gz SZNKTVPHERRHKV-AHIWAGSCSA-N 0 3 366.466 -0.287 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1 ZINC000367457180 245334561 /nfs/dbraw/zinc/33/45/61/245334561.db2.gz SZNKTVPHERRHKV-DCGLDWPTSA-N 0 3 366.466 -0.287 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1 ZINC000367457182 245334758 /nfs/dbraw/zinc/33/47/58/245334758.db2.gz SZNKTVPHERRHKV-GDZNZVCISA-N 0 3 366.466 -0.287 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1 ZINC000367457183 245334281 /nfs/dbraw/zinc/33/42/81/245334281.db2.gz SZNKTVPHERRHKV-OGHNNQOOSA-N 0 3 366.466 -0.287 20 0 FBADHN CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000367491012 245340279 /nfs/dbraw/zinc/34/02/79/245340279.db2.gz ZSOFNTRDVWIBCE-GDBMZVCRSA-N 0 3 366.462 -0.896 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000367511829 245338864 /nfs/dbraw/zinc/33/88/64/245338864.db2.gz GFOWCRYMUOINKY-FUNVUKJBSA-N 0 3 353.510 -0.188 20 0 FBADHN CCCC(=O)N1CCCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000367512850 535329545 /nfs/dbraw/zinc/32/95/45/535329545.db2.gz HAYSEDFIGWYCQJ-UHFFFAOYSA-N 0 3 365.482 -0.221 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000367519148 535676846 /nfs/dbraw/zinc/67/68/46/535676846.db2.gz MAEWFEQAUMZAPV-HNNXBMFYSA-N 0 3 360.524 -0.104 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000367519149 535677058 /nfs/dbraw/zinc/67/70/58/535677058.db2.gz MAEWFEQAUMZAPV-OAHLLOKOSA-N 0 3 360.524 -0.104 20 0 FBADHN CN1CCN([C@H]2CCCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)CC1 ZINC000367529676 245340349 /nfs/dbraw/zinc/34/03/49/245340349.db2.gz SOSJUEOFTSYXGY-AWEZNQCLSA-N 0 3 365.478 -0.055 20 0 FBADHN CN1CCN([C@@H]2CCCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)CC1 ZINC000367529677 245338744 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FWJSHRSYXKUHGA-ZIAGYGMSSA-N 0 3 365.482 -0.973 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367835348 536117471 /nfs/dbraw/zinc/11/74/71/536117471.db2.gz YEKFSNLTBPDGRJ-QWRGUYRKSA-N 0 3 365.452 -0.085 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000367836955 245351439 /nfs/dbraw/zinc/35/14/39/245351439.db2.gz TVWQJCSIAWHACS-BLLLJJGKSA-N 0 3 368.507 -0.172 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000367836956 245350272 /nfs/dbraw/zinc/35/02/72/245350272.db2.gz TVWQJCSIAWHACS-LRDDRELGSA-N 0 3 368.507 -0.172 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000367836957 245351457 /nfs/dbraw/zinc/35/14/57/245351457.db2.gz TVWQJCSIAWHACS-MLGOLLRUSA-N 0 3 368.507 -0.172 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000367836958 245356256 /nfs/dbraw/zinc/35/62/56/245356256.db2.gz TVWQJCSIAWHACS-WBMJQRKESA-N 0 3 368.507 -0.172 20 0 FBADHN O=C1NC(=O)[C@@H]2CN(C[C@H](O)CN3C(=O)c4ccccc4C3=O)CC[C@H]12 ZINC000367837884 245355808 /nfs/dbraw/zinc/35/58/08/245355808.db2.gz WVLAMJKXWZCMDL-COPLHBTASA-N 0 3 357.366 -0.762 20 0 FBADHN O=C1NC(=O)[C@@H]2CN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC[C@@H]12 ZINC000367837885 245353852 /nfs/dbraw/zinc/35/38/52/245353852.db2.gz WVLAMJKXWZCMDL-JTNHKYCSSA-N 0 3 357.366 -0.762 20 0 FBADHN O=C1NC(=O)[C@@H]2CN(C[C@H](O)CN3C(=O)c4ccccc4C3=O)CC[C@@H]12 ZINC000367837886 245353682 /nfs/dbraw/zinc/35/36/82/245353682.db2.gz WVLAMJKXWZCMDL-MISXGVKJSA-N 0 3 357.366 -0.762 20 0 FBADHN O=C1NC(=O)[C@@H]2CN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC[C@H]12 ZINC000367837887 245355461 /nfs/dbraw/zinc/35/54/61/245355461.db2.gz WVLAMJKXWZCMDL-UHIISALHSA-N 0 3 357.366 -0.762 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000367844520 245354010 /nfs/dbraw/zinc/35/40/10/245354010.db2.gz XHKBXEHRVXKADX-BLLLJJGKSA-N 0 3 352.439 -0.888 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000367844521 245354679 /nfs/dbraw/zinc/35/46/79/245354679.db2.gz XHKBXEHRVXKADX-LRDDRELGSA-N 0 3 352.439 -0.888 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000367844522 245354941 /nfs/dbraw/zinc/35/49/41/245354941.db2.gz XHKBXEHRVXKADX-MLGOLLRUSA-N 0 3 352.439 -0.888 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000367844523 245354169 /nfs/dbraw/zinc/35/41/69/245354169.db2.gz XHKBXEHRVXKADX-WBMJQRKESA-N 0 3 352.439 -0.888 20 0 FBADHN CN(C)CCn1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)n1 ZINC000367857713 484109092 /nfs/dbraw/zinc/10/90/92/484109092.db2.gz IRHMHMJWVLSDAN-BLLLJJGKSA-N 0 3 359.434 0.336 20 0 FBADHN CN(C)CCn1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)n1 ZINC000367857714 484108398 /nfs/dbraw/zinc/10/83/98/484108398.db2.gz IRHMHMJWVLSDAN-LRDDRELGSA-N 0 3 359.434 0.336 20 0 FBADHN CN(C)CCn1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)n1 ZINC000367857715 484106890 /nfs/dbraw/zinc/10/68/90/484106890.db2.gz IRHMHMJWVLSDAN-MLGOLLRUSA-N 0 3 359.434 0.336 20 0 FBADHN CN(C)CCn1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)n1 ZINC000367857716 484106710 /nfs/dbraw/zinc/10/67/10/484106710.db2.gz IRHMHMJWVLSDAN-WBMJQRKESA-N 0 3 359.434 0.336 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000367905797 245354706 /nfs/dbraw/zinc/35/47/06/245354706.db2.gz BSWUWVFNNDLTCH-CYBMUJFWSA-N 0 3 363.466 -0.611 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000367905798 245354485 /nfs/dbraw/zinc/35/44/85/245354485.db2.gz BSWUWVFNNDLTCH-ZDUSSCGKSA-N 0 3 363.466 -0.611 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000367918230 534781477 /nfs/dbraw/zinc/78/14/77/534781477.db2.gz QJDIKILSYROMBV-CVEARBPZSA-N 0 3 365.478 -0.197 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000367918231 534781556 /nfs/dbraw/zinc/78/15/56/534781556.db2.gz QJDIKILSYROMBV-HOTGVXAUSA-N 0 3 365.478 -0.197 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000367918232 534782058 /nfs/dbraw/zinc/78/20/58/534782058.db2.gz QJDIKILSYROMBV-HZPDHXFCSA-N 0 3 365.478 -0.197 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000367918233 534781382 /nfs/dbraw/zinc/78/13/82/534781382.db2.gz QJDIKILSYROMBV-JKSUJKDBSA-N 0 3 365.478 -0.197 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000367920032 535875453 /nfs/dbraw/zinc/87/54/53/535875453.db2.gz DLESHOHUXHMPBM-JKSUJKDBSA-N 0 3 368.478 -0.901 20 0 FBADHN CN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000367921708 245356523 /nfs/dbraw/zinc/35/65/23/245356523.db2.gz SCDZLLLIAAKLOF-JKSUJKDBSA-N 0 3 368.478 -0.854 20 0 FBADHN C[C@H](N)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000367931965 245357753 /nfs/dbraw/zinc/35/77/53/245357753.db2.gz QCGWLHORWTYXKX-IHRRRGAJSA-N 0 3 352.460 -0.403 20 0 FBADHN C[C@H](N)C(=O)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000367931966 661630632 /nfs/dbraw/zinc/63/06/32/661630632.db2.gz QCGWLHORWTYXKX-MELADBBJSA-N 0 3 352.460 -0.403 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000367974080 535876541 /nfs/dbraw/zinc/87/65/41/535876541.db2.gz QLWZYBBPDSLUAA-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2=O)C1 ZINC000368008009 245361380 /nfs/dbraw/zinc/36/13/80/245361380.db2.gz RNAMSFFTGABBIV-CVEARBPZSA-N 0 3 367.494 -0.345 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2=O)C1 ZINC000368008010 245363507 /nfs/dbraw/zinc/36/35/07/245363507.db2.gz RNAMSFFTGABBIV-HOTGVXAUSA-N 0 3 367.494 -0.345 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2=O)C1 ZINC000368008011 245361265 /nfs/dbraw/zinc/36/12/65/245361265.db2.gz RNAMSFFTGABBIV-HZPDHXFCSA-N 0 3 367.494 -0.345 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2=O)C1 ZINC000368008012 245362266 /nfs/dbraw/zinc/36/22/66/245362266.db2.gz RNAMSFFTGABBIV-JKSUJKDBSA-N 0 3 367.494 -0.345 20 0 FBADHN Cn1cc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(=O)n(C)c1=O ZINC000368034812 245363891 /nfs/dbraw/zinc/36/38/91/245363891.db2.gz CVXFBMSUOALVBV-UHFFFAOYSA-N 0 3 373.413 -0.379 20 0 FBADHN COC[C@@H](C)NC(=O)NC(=O)CN1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000368038194 536533281 /nfs/dbraw/zinc/53/32/81/536533281.db2.gz UTQNFFORIXMLHN-CVEARBPZSA-N 0 3 369.510 -0.051 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000368038195 245362715 /nfs/dbraw/zinc/36/27/15/245362715.db2.gz UTQNFFORIXMLHN-HOTGVXAUSA-N 0 3 369.510 -0.051 20 0 FBADHN COC[C@@H](C)NC(=O)NC(=O)CN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000368038196 536534213 /nfs/dbraw/zinc/53/42/13/536534213.db2.gz UTQNFFORIXMLHN-HZPDHXFCSA-N 0 3 369.510 -0.051 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000368038197 245363715 /nfs/dbraw/zinc/36/37/15/245363715.db2.gz UTQNFFORIXMLHN-JKSUJKDBSA-N 0 3 369.510 -0.051 20 0 FBADHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368083619 245366647 /nfs/dbraw/zinc/36/66/47/245366647.db2.gz NOVMPZLBXYLAKE-CVEARBPZSA-N 0 3 358.442 -0.042 20 0 FBADHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368083620 245364733 /nfs/dbraw/zinc/36/47/33/245364733.db2.gz NOVMPZLBXYLAKE-HOTGVXAUSA-N 0 3 358.442 -0.042 20 0 FBADHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368083621 245365573 /nfs/dbraw/zinc/36/55/73/245365573.db2.gz NOVMPZLBXYLAKE-HZPDHXFCSA-N 0 3 358.442 -0.042 20 0 FBADHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368083622 245364987 /nfs/dbraw/zinc/36/49/87/245364987.db2.gz NOVMPZLBXYLAKE-JKSUJKDBSA-N 0 3 358.442 -0.042 20 0 FBADHN Cc1c(C(=O)N(C)C[C@H](O)CO)nnn1-c1cccc2c1CCN(C)C2 ZINC000368120024 245366121 /nfs/dbraw/zinc/36/61/21/245366121.db2.gz MHSHWSJPANSHNJ-AWEZNQCLSA-N 0 3 359.430 -0.011 20 0 FBADHN CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000368142613 245365757 /nfs/dbraw/zinc/36/57/57/245365757.db2.gz QAFPBTXOIKNUAU-HOCLYGCPSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000368142614 245367064 /nfs/dbraw/zinc/36/70/64/245367064.db2.gz QAFPBTXOIKNUAU-ZBFHGGJFSA-N 0 3 354.495 -0.254 20 0 FBADHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000368204999 245369934 /nfs/dbraw/zinc/36/99/34/245369934.db2.gz WJWYTEZRNTUFEA-STQMWFEESA-N 0 3 371.434 -0.022 20 0 FBADHN CCN1CCC(NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000368210283 535465560 /nfs/dbraw/zinc/46/55/60/535465560.db2.gz ZHFHFFSGHJDLCR-UHFFFAOYSA-N 0 3 361.512 -0.006 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368224360 245369839 /nfs/dbraw/zinc/36/98/39/245369839.db2.gz TVTMUPXHPJPPAK-AWEZNQCLSA-N 0 3 360.524 -0.200 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368224362 245370268 /nfs/dbraw/zinc/37/02/68/245370268.db2.gz TVTMUPXHPJPPAK-CQSZACIVSA-N 0 3 360.524 -0.200 20 0 FBADHN Cc1cnn([C@H]2CCN(C(=O)C(=O)Nc3ccn(CCN(C)C)n3)C2)c1 ZINC000368230729 484443327 /nfs/dbraw/zinc/44/33/27/484443327.db2.gz WMISERQBKIYFTM-AWEZNQCLSA-N 0 3 359.434 0.362 20 0 FBADHN Cc1cnn([C@@H]2CCN(C(=O)C(=O)Nc3ccn(CCN(C)C)n3)C2)c1 ZINC000368230730 484444198 /nfs/dbraw/zinc/44/41/98/484444198.db2.gz WMISERQBKIYFTM-CQSZACIVSA-N 0 3 359.434 0.362 20 0 FBADHN CN1CCN(CC2(C)CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)CC1 ZINC000368233958 245371888 /nfs/dbraw/zinc/37/18/88/245371888.db2.gz HZVSIIVRZHVGPT-UHFFFAOYSA-N 0 3 350.463 -0.085 20 0 FBADHN CC(C)(O)CN1CCCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000368244962 535303973 /nfs/dbraw/zinc/30/39/73/535303973.db2.gz QHRZBAOYKCWCQZ-UHFFFAOYSA-N 0 3 370.475 -0.335 20 0 FBADHN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000368250630 245372389 /nfs/dbraw/zinc/37/23/89/245372389.db2.gz FDFPGVOUHUCPRQ-BFHYXJOUSA-N 0 3 372.491 -0.633 20 0 FBADHN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000368250635 245372646 /nfs/dbraw/zinc/37/26/46/245372646.db2.gz FDFPGVOUHUCPRQ-MJBXVCDLSA-N 0 3 372.491 -0.633 20 0 FBADHN CN1CCC(CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000368280104 245371734 /nfs/dbraw/zinc/37/17/34/245371734.db2.gz FLETVVPARFAXNF-INIZCTEOSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCC(CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000368280105 245372364 /nfs/dbraw/zinc/37/23/64/245372364.db2.gz FLETVVPARFAXNF-MRXNPFEDSA-N 0 3 352.479 -0.232 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1nn(-c2cccnc2)cc1C ZINC000368285674 484320719 /nfs/dbraw/zinc/32/07/19/484320719.db2.gz QBLRHLWDMSTVPY-UHFFFAOYSA-N 0 3 374.445 0.551 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@]3(CCN(C)C3)C2)CC1 ZINC000368303252 534782692 /nfs/dbraw/zinc/78/26/92/534782692.db2.gz CEDBFVGKNYDFCU-GOSISDBHSA-N 0 3 365.478 -0.196 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@]3(CCN(C)C3)C2)CC1 ZINC000368303253 534782878 /nfs/dbraw/zinc/78/28/78/534782878.db2.gz CEDBFVGKNYDFCU-SFHVURJKSA-N 0 3 365.478 -0.196 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000368317625 245371704 /nfs/dbraw/zinc/37/17/04/245371704.db2.gz NALVHCDGJUHECH-QWRGUYRKSA-N 0 3 365.452 -0.085 20 0 FBADHN CN1CCN(CC2(C)CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)CC1 ZINC000368322701 245376189 /nfs/dbraw/zinc/37/61/89/245376189.db2.gz CTERDKRQWWFUFM-UHFFFAOYSA-N 0 3 363.466 -0.747 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000368323676 245375998 /nfs/dbraw/zinc/37/59/98/245375998.db2.gz IQVDZPXSRYXWLA-BBWFWOEESA-N 0 3 364.490 -0.138 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000368323677 535554265 /nfs/dbraw/zinc/55/42/65/535554265.db2.gz IQVDZPXSRYXWLA-BRWVUGGUSA-N 0 3 364.490 -0.138 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000368323678 245374520 /nfs/dbraw/zinc/37/45/20/245374520.db2.gz IQVDZPXSRYXWLA-GVDBMIGSSA-N 0 3 364.490 -0.138 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000368323679 535552780 /nfs/dbraw/zinc/55/27/80/535552780.db2.gz IQVDZPXSRYXWLA-ZACQAIPSSA-N 0 3 364.490 -0.138 20 0 FBADHN CN(CC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000368327342 245373936 /nfs/dbraw/zinc/37/39/36/245373936.db2.gz KPOQGYDISIBJCP-UHFFFAOYSA-N 0 3 360.524 -0.246 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cn1C ZINC000368345935 245374882 /nfs/dbraw/zinc/37/48/82/245374882.db2.gz AWSNYRAEXZHPMN-INIZCTEOSA-N 0 3 369.491 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn1C ZINC000368345935 245374876 /nfs/dbraw/zinc/37/48/76/245374876.db2.gz AWSNYRAEXZHPMN-INIZCTEOSA-N 0 3 369.491 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1C ZINC000368345936 245375462 /nfs/dbraw/zinc/37/54/62/245375462.db2.gz AWSNYRAEXZHPMN-MRXNPFEDSA-N 0 3 369.491 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn1C ZINC000368345936 245375457 /nfs/dbraw/zinc/37/54/57/245375457.db2.gz AWSNYRAEXZHPMN-MRXNPFEDSA-N 0 3 369.491 -0.049 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368385258 245375877 /nfs/dbraw/zinc/37/58/77/245375877.db2.gz MYELXJQBWVDADK-DLOVCJGASA-N 0 3 361.443 -0.480 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368385259 245377003 /nfs/dbraw/zinc/37/70/03/245377003.db2.gz MYELXJQBWVDADK-USWWRNFRSA-N 0 3 361.443 -0.480 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1C ZINC000368389187 245377301 /nfs/dbraw/zinc/37/73/01/245377301.db2.gz VIZUYDZFQRPAJR-CHWSQXEVSA-N 0 3 355.464 -0.393 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1C ZINC000368389188 245377334 /nfs/dbraw/zinc/37/73/34/245377334.db2.gz VIZUYDZFQRPAJR-OLZOCXBDSA-N 0 3 355.464 -0.393 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cn1C ZINC000368389189 245378247 /nfs/dbraw/zinc/37/82/47/245378247.db2.gz VIZUYDZFQRPAJR-QWHCGFSZSA-N 0 3 355.464 -0.393 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1C ZINC000368389190 245378852 /nfs/dbraw/zinc/37/88/52/245378852.db2.gz VIZUYDZFQRPAJR-STQMWFEESA-N 0 3 355.464 -0.393 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)C(=O)C1=O ZINC000368422545 535654294 /nfs/dbraw/zinc/65/42/94/535654294.db2.gz PQEQOSVVFIELLC-CABCVRRESA-N 0 3 362.405 -0.231 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)C(=O)C1=O ZINC000368422546 535655313 /nfs/dbraw/zinc/65/53/13/535655313.db2.gz PQEQOSVVFIELLC-GJZGRUSLSA-N 0 3 362.405 -0.231 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)C(=O)C1=O ZINC000368422547 535653860 /nfs/dbraw/zinc/65/38/60/535653860.db2.gz PQEQOSVVFIELLC-HUUCEWRRSA-N 0 3 362.405 -0.231 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)C(=O)C1=O ZINC000368422548 535653341 /nfs/dbraw/zinc/65/33/41/535653341.db2.gz PQEQOSVVFIELLC-LSDHHAIUSA-N 0 3 362.405 -0.231 20 0 FBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1(C)C ZINC000368423568 535438316 /nfs/dbraw/zinc/43/83/16/535438316.db2.gz DFKOLWDNNOZNMG-HBUWYVDXSA-N 0 3 352.479 -0.058 20 0 FBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1(C)C ZINC000368423569 535534960 /nfs/dbraw/zinc/53/49/60/535534960.db2.gz DFKOLWDNNOZNMG-IYOUNJFTSA-N 0 3 352.479 -0.058 20 0 FBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1(C)C ZINC000368423570 535534632 /nfs/dbraw/zinc/53/46/32/535534632.db2.gz DFKOLWDNNOZNMG-LBTNJELSSA-N 0 3 352.479 -0.058 20 0 FBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1(C)C ZINC000368423571 535437563 /nfs/dbraw/zinc/43/75/63/535437563.db2.gz DFKOLWDNNOZNMG-PMUMKWKESA-N 0 3 352.479 -0.058 20 0 FBADHN CN1CCN([C@H]2CCCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000368430447 245379980 /nfs/dbraw/zinc/37/99/80/245379980.db2.gz WICFXJBBPZGRBX-AWEZNQCLSA-N 0 3 365.478 -0.055 20 0 FBADHN CN1CCN([C@@H]2CCCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000368430448 245378378 /nfs/dbraw/zinc/37/83/78/245378378.db2.gz WICFXJBBPZGRBX-CQSZACIVSA-N 0 3 365.478 -0.055 20 0 FBADHN CCN1CCO[C@H](CN2CCN(S(=O)(=O)CCN3CCCC3)CC2)C1 ZINC000368450527 245378059 /nfs/dbraw/zinc/37/80/59/245378059.db2.gz RGUFPSPONWAPIQ-KRWDZBQOSA-N 0 3 374.551 -0.250 20 0 FBADHN CCN1CCO[C@@H](CN2CCN(S(=O)(=O)CCN3CCCC3)CC2)C1 ZINC000368450530 245377113 /nfs/dbraw/zinc/37/71/13/245377113.db2.gz RGUFPSPONWAPIQ-QGZVFWFLSA-N 0 3 374.551 -0.250 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CNC[C@H]32)cc1F ZINC000368481054 245382548 /nfs/dbraw/zinc/38/25/48/245382548.db2.gz DOVANDNDMGNIMU-NEPJUHHUSA-N 0 3 364.420 -0.410 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC2CCN(c3ccccn3)CC2)n1 ZINC000368501233 245383733 /nfs/dbraw/zinc/38/37/33/245383733.db2.gz ACQJXZNZVKDLGQ-UHFFFAOYSA-N 0 3 372.477 -0.162 20 0 FBADHN CCN(CCO)CCNC(=O)NC1CCN(CC(=O)N2CCCC2)CC1 ZINC000368502317 245383701 /nfs/dbraw/zinc/38/37/01/245383701.db2.gz MAMFQNBEBIBIDL-UHFFFAOYSA-N 0 3 369.510 -0.313 20 0 FBADHN CCOC(=O)N1CCN(C(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000368502336 245383461 /nfs/dbraw/zinc/38/34/61/245383461.db2.gz GAAIRQSERIXKDM-BBRMVZONSA-N 0 3 352.435 -0.066 20 0 FBADHN CCOC(=O)N1CCN(C(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000368502337 245382701 /nfs/dbraw/zinc/38/27/01/245382701.db2.gz GAAIRQSERIXKDM-CJNGLKHVSA-N 0 3 352.435 -0.066 20 0 FBADHN CCOC(=O)N1CCN(C(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000368502338 245382396 /nfs/dbraw/zinc/38/23/96/245382396.db2.gz GAAIRQSERIXKDM-CZUORRHYSA-N 0 3 352.435 -0.066 20 0 FBADHN CCOC(=O)N1CCN(C(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000368502339 245381043 /nfs/dbraw/zinc/38/10/43/245381043.db2.gz GAAIRQSERIXKDM-XJKSGUPXSA-N 0 3 352.435 -0.066 20 0 FBADHN COC(=O)CNC(=O)CCN1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000368522370 245382886 /nfs/dbraw/zinc/38/28/86/245382886.db2.gz NPDBFHUVQUAGHW-AWEZNQCLSA-N 0 3 355.435 -0.327 20 0 FBADHN COC(=O)CNC(=O)CCN1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000368522371 245382319 /nfs/dbraw/zinc/38/23/19/245382319.db2.gz NPDBFHUVQUAGHW-CQSZACIVSA-N 0 3 355.435 -0.327 20 0 FBADHN N=C(NO)[C@@H]1CCCCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000368526581 245382338 /nfs/dbraw/zinc/38/23/38/245382338.db2.gz LFTRAOKUSXYWLY-AWEZNQCLSA-N 0 3 363.418 -0.023 20 0 FBADHN N=C(NO)[C@H]1CCCCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000368526582 245380675 /nfs/dbraw/zinc/38/06/75/245380675.db2.gz LFTRAOKUSXYWLY-CQSZACIVSA-N 0 3 363.418 -0.023 20 0 FBADHN CN(C)CC1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000368540363 245384546 /nfs/dbraw/zinc/38/45/46/245384546.db2.gz SYHDJTVVBUCYRH-CHWSQXEVSA-N 0 3 357.476 -0.378 20 0 FBADHN CN(C)CC1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000368540364 245384130 /nfs/dbraw/zinc/38/41/30/245384130.db2.gz SYHDJTVVBUCYRH-OLZOCXBDSA-N 0 3 357.476 -0.378 20 0 FBADHN CN(C)CC1(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000368540365 245385312 /nfs/dbraw/zinc/38/53/12/245385312.db2.gz SYHDJTVVBUCYRH-QWHCGFSZSA-N 0 3 357.476 -0.378 20 0 FBADHN CN(C)CC1(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 ZINC000368540366 245384305 /nfs/dbraw/zinc/38/43/05/245384305.db2.gz SYHDJTVVBUCYRH-STQMWFEESA-N 0 3 357.476 -0.378 20 0 FBADHN CNC(=O)CN1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000368543633 245384869 /nfs/dbraw/zinc/38/48/69/245384869.db2.gz OVCLAZLGMBJQCT-UHFFFAOYSA-N 0 3 367.372 -0.482 20 0 FBADHN CNS(=O)(=O)C1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000368543968 245385016 /nfs/dbraw/zinc/38/50/16/245385016.db2.gz ROAKNCBWGSQXLG-UHFFFAOYSA-N 0 3 374.385 -0.222 20 0 FBADHN CN(C)CC(=O)N1CCN(N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000368547355 245384057 /nfs/dbraw/zinc/38/40/57/245384057.db2.gz CAURTSAYBCTLTP-QGZVFWFLSA-N 0 3 353.511 -0.349 20 0 FBADHN CNC(=O)CN1CCC(NN2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000368552616 245384229 /nfs/dbraw/zinc/38/42/29/245384229.db2.gz JTRUVJKXYGBUJT-MRXNPFEDSA-N 0 3 353.511 -0.254 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)NCCCN2CCN(C)CC2)nn1 ZINC000368559993 536758628 /nfs/dbraw/zinc/75/86/28/536758628.db2.gz APQGWQRFEFKVNN-HUUCEWRRSA-N 0 3 352.439 -0.768 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000368573841 483917757 /nfs/dbraw/zinc/91/77/57/483917757.db2.gz VXQFCMQLYKWRRJ-HNNXBMFYSA-N 0 3 370.461 -0.598 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000368573844 483917813 /nfs/dbraw/zinc/91/78/13/483917813.db2.gz VXQFCMQLYKWRRJ-OAHLLOKOSA-N 0 3 370.461 -0.598 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000368574189 483917246 /nfs/dbraw/zinc/91/72/46/483917246.db2.gz XOLWAGGGLSNTCO-HNNXBMFYSA-N 0 3 366.487 -0.057 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000368574192 483917175 /nfs/dbraw/zinc/91/71/75/483917175.db2.gz XOLWAGGGLSNTCO-OAHLLOKOSA-N 0 3 366.487 -0.057 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C[C@H]21 ZINC000368587206 483918242 /nfs/dbraw/zinc/91/82/42/483918242.db2.gz BRPGXABULFSHDO-BXUZGUMPSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C[C@@H]21 ZINC000368587207 483918808 /nfs/dbraw/zinc/91/88/08/483918808.db2.gz BRPGXABULFSHDO-FZMZJTMJSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C[C@@H]21 ZINC000368587208 483919764 /nfs/dbraw/zinc/91/97/64/483919764.db2.gz BRPGXABULFSHDO-RISCZKNCSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C[C@H]21 ZINC000368587209 483919650 /nfs/dbraw/zinc/91/96/50/483919650.db2.gz BRPGXABULFSHDO-SMDDNHRTSA-N 0 3 357.414 -0.202 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368587760 483919817 /nfs/dbraw/zinc/91/98/17/483919817.db2.gz DTEMOPLJTBFXFZ-OBJOEFQTSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368587763 483919592 /nfs/dbraw/zinc/91/95/92/483919592.db2.gz DTEMOPLJTBFXFZ-OUCADQQQSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368587765 483918779 /nfs/dbraw/zinc/91/87/79/483918779.db2.gz DTEMOPLJTBFXFZ-SCRDCRAPSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368587767 483919576 /nfs/dbraw/zinc/91/95/76/483919576.db2.gz DTEMOPLJTBFXFZ-SGMGOOAPSA-N 0 3 355.464 -0.361 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C[C@H]21 ZINC000368590878 483919452 /nfs/dbraw/zinc/91/94/52/483919452.db2.gz LJTFBDFATPNCEC-BXUZGUMPSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C[C@@H]21 ZINC000368590879 483919773 /nfs/dbraw/zinc/91/97/73/483919773.db2.gz LJTFBDFATPNCEC-FZMZJTMJSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C[C@@H]21 ZINC000368590880 483919016 /nfs/dbraw/zinc/91/90/16/483919016.db2.gz LJTFBDFATPNCEC-RISCZKNCSA-N 0 3 357.414 -0.202 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C[C@H]21 ZINC000368590881 483918390 /nfs/dbraw/zinc/91/83/90/483918390.db2.gz LJTFBDFATPNCEC-SMDDNHRTSA-N 0 3 357.414 -0.202 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cn1C ZINC000368592218 483919365 /nfs/dbraw/zinc/91/93/65/483919365.db2.gz PWRUWHVCCHIVEJ-KBPBESRZSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cn1C ZINC000368592218 483919352 /nfs/dbraw/zinc/91/93/52/483919352.db2.gz PWRUWHVCCHIVEJ-KBPBESRZSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cn1C ZINC000368592219 483918746 /nfs/dbraw/zinc/91/87/46/483918746.db2.gz PWRUWHVCCHIVEJ-KGLIPLIRSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cn1C ZINC000368592219 483918738 /nfs/dbraw/zinc/91/87/38/483918738.db2.gz PWRUWHVCCHIVEJ-KGLIPLIRSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cn1C ZINC000368592220 483918596 /nfs/dbraw/zinc/91/85/96/483918596.db2.gz PWRUWHVCCHIVEJ-UONOGXRCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cn1C ZINC000368592220 483918591 /nfs/dbraw/zinc/91/85/91/483918591.db2.gz PWRUWHVCCHIVEJ-UONOGXRCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cn1C ZINC000368592221 483918649 /nfs/dbraw/zinc/91/86/49/483918649.db2.gz PWRUWHVCCHIVEJ-ZIAGYGMSSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cn1C ZINC000368592221 483918644 /nfs/dbraw/zinc/91/86/44/483918644.db2.gz PWRUWHVCCHIVEJ-ZIAGYGMSSA-N 0 3 369.491 -0.050 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000368602734 483919839 /nfs/dbraw/zinc/91/98/39/483919839.db2.gz PBABGOCLPDKEOH-GRDNDAEWSA-N 0 3 366.506 -0.111 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000368602735 483918375 /nfs/dbraw/zinc/91/83/75/483918375.db2.gz PBABGOCLPDKEOH-JKIFEVAISA-N 0 3 366.506 -0.111 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000368602736 245387959 /nfs/dbraw/zinc/38/79/59/245387959.db2.gz PBABGOCLPDKEOH-KEYYUXOJSA-N 0 3 366.506 -0.111 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000368602737 245388113 /nfs/dbraw/zinc/38/81/13/245388113.db2.gz PBABGOCLPDKEOH-ZQIUZPCESA-N 0 3 366.506 -0.111 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000368615916 245386782 /nfs/dbraw/zinc/38/67/82/245386782.db2.gz VNBUMXPEBLXOPY-AWEZNQCLSA-N 0 3 368.478 -0.317 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000368615917 536368276 /nfs/dbraw/zinc/36/82/76/536368276.db2.gz VNBUMXPEBLXOPY-CQSZACIVSA-N 0 3 368.478 -0.317 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000368632313 245387299 /nfs/dbraw/zinc/38/72/99/245387299.db2.gz ISMOCIDWGLUDPR-INIZCTEOSA-N 0 3 357.499 -0.994 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000368632317 245388212 /nfs/dbraw/zinc/38/82/12/245388212.db2.gz ISMOCIDWGLUDPR-MRXNPFEDSA-N 0 3 357.499 -0.994 20 0 FBADHN O=C(CCN1CC[C@H]2C(=O)NC(=O)[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639269 245388444 /nfs/dbraw/zinc/38/84/44/245388444.db2.gz TVUQYAAJPXHUQT-CABCVRRESA-N 0 3 371.441 -0.285 20 0 FBADHN O=C(CCN1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639270 245387216 /nfs/dbraw/zinc/38/72/16/245387216.db2.gz TVUQYAAJPXHUQT-GJZGRUSLSA-N 0 3 371.441 -0.285 20 0 FBADHN O=C(CCN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639271 245386216 /nfs/dbraw/zinc/38/62/16/245386216.db2.gz TVUQYAAJPXHUQT-HUUCEWRRSA-N 0 3 371.441 -0.285 20 0 FBADHN O=C(CCN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639272 245386498 /nfs/dbraw/zinc/38/64/98/245386498.db2.gz TVUQYAAJPXHUQT-LSDHHAIUSA-N 0 3 371.441 -0.285 20 0 FBADHN C[C@H]1[C@H](NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)CCN1Cc1ccccc1 ZINC000368647841 245387555 /nfs/dbraw/zinc/38/75/55/245387555.db2.gz OQNLTBQLVDZJKT-DESVYNQGSA-N 0 3 364.442 -0.627 20 0 FBADHN C[C@@H]1[C@H](NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)CCN1Cc1ccccc1 ZINC000368647843 245387141 /nfs/dbraw/zinc/38/71/41/245387141.db2.gz OQNLTBQLVDZJKT-DQSLCOISSA-N 0 3 364.442 -0.627 20 0 FBADHN C[C@H]1[C@@H](NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)CCN1Cc1ccccc1 ZINC000368647844 245386406 /nfs/dbraw/zinc/38/64/06/245386406.db2.gz OQNLTBQLVDZJKT-HGOLCKAWSA-N 0 3 364.442 -0.627 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](O)C2)CCN1Cc1ccccc1 ZINC000368647845 245386065 /nfs/dbraw/zinc/38/60/65/245386065.db2.gz OQNLTBQLVDZJKT-WXSBTRAFSA-N 0 3 364.442 -0.627 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2ccnc(-n3ccnc3)c2)n1 ZINC000368674893 245390166 /nfs/dbraw/zinc/39/01/66/245390166.db2.gz FHDMTYFHNBJHNP-UHFFFAOYSA-N 0 3 369.433 -0.445 20 0 FBADHN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000368680332 245390071 /nfs/dbraw/zinc/39/00/71/245390071.db2.gz LLSAPDGVXAXCBI-CYBMUJFWSA-N 0 3 354.451 -0.478 20 0 FBADHN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000368680333 245390132 /nfs/dbraw/zinc/39/01/32/245390132.db2.gz LLSAPDGVXAXCBI-ZDUSSCGKSA-N 0 3 354.451 -0.478 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000368701633 245390200 /nfs/dbraw/zinc/39/02/00/245390200.db2.gz KLDFKUBTICRIOU-UHFFFAOYSA-N 0 3 350.485 -0.586 20 0 FBADHN COCCCN(C)CCNC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368705753 536505074 /nfs/dbraw/zinc/50/50/74/536505074.db2.gz FGYXCTATQHABHJ-CYBMUJFWSA-N 0 3 368.438 -0.011 20 0 FBADHN COCCCN(C)CCNC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368705754 536504001 /nfs/dbraw/zinc/50/40/01/536504001.db2.gz FGYXCTATQHABHJ-ZDUSSCGKSA-N 0 3 368.438 -0.011 20 0 FBADHN COCc1noc(CN2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)n1 ZINC000368729323 245395080 /nfs/dbraw/zinc/39/50/80/245395080.db2.gz NQCQFDZAOGGPKR-AWEZNQCLSA-N 0 3 364.450 -0.750 20 0 FBADHN COCc1noc(CN2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)n1 ZINC000368729324 245394869 /nfs/dbraw/zinc/39/48/69/245394869.db2.gz NQCQFDZAOGGPKR-CQSZACIVSA-N 0 3 364.450 -0.750 20 0 FBADHN CNS(=O)(=O)CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000368800022 245399581 /nfs/dbraw/zinc/39/95/81/245399581.db2.gz ZKPDVXAHHFAMOW-INIZCTEOSA-N 0 3 355.460 -0.369 20 0 FBADHN CNS(=O)(=O)CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000368800023 245399396 /nfs/dbraw/zinc/39/93/96/245399396.db2.gz ZKPDVXAHHFAMOW-MRXNPFEDSA-N 0 3 355.460 -0.369 20 0 FBADHN O=C(CCN1CCN2CCOC[C@@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000368812973 245398087 /nfs/dbraw/zinc/39/80/87/245398087.db2.gz BATPBLFLHJIWCA-INIZCTEOSA-N 0 3 360.462 -0.468 20 0 FBADHN O=C(CCN1CCN2CCOC[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000368812974 245398504 /nfs/dbraw/zinc/39/85/04/245398504.db2.gz BATPBLFLHJIWCA-MRXNPFEDSA-N 0 3 360.462 -0.468 20 0 FBADHN CN(CC(=O)N1CCC(CCN2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000368842978 483920704 /nfs/dbraw/zinc/92/07/04/483920704.db2.gz FDPZTAJEBSDPKP-UHFFFAOYSA-N 0 3 360.524 -0.246 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N1CCC(CCN2CCN(C)CC2)CC1 ZINC000368845370 483920554 /nfs/dbraw/zinc/92/05/54/483920554.db2.gz LXIRYIVNGGNVAT-UHFFFAOYSA-N 0 3 367.494 -0.885 20 0 FBADHN CN1CCN(CCC2CCN(C(=O)CN3CCCS3(=O)=O)CC2)CC1 ZINC000368845953 483921698 /nfs/dbraw/zinc/92/16/98/483921698.db2.gz RVDNYJLSKIQLRB-UHFFFAOYSA-N 0 3 372.535 -0.102 20 0 FBADHN CN1CC(=O)N(CC(=O)N2CCC(CCN3CCN(C)CC3)CC2)C1=O ZINC000368846683 483920422 /nfs/dbraw/zinc/92/04/22/483920422.db2.gz WCUZQZMQNNNPCE-UHFFFAOYSA-N 0 3 365.478 -0.244 20 0 FBADHN CCNC(=O)CN1CCCN(C(=O)CCN2CCN(CC)CC2)CC1 ZINC000368859756 483921420 /nfs/dbraw/zinc/92/14/20/483921420.db2.gz JMARPGRNPQRSMR-UHFFFAOYSA-N 0 3 353.511 -0.316 20 0 FBADHN CC(C)CN1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000368890890 483923237 /nfs/dbraw/zinc/92/32/37/483923237.db2.gz ZYUVJTBDQAXFPQ-UHFFFAOYSA-N 0 3 350.423 -0.503 20 0 FBADHN COCCN(C)CCNC(=O)NC1CCN(CC(=O)N2CCCC2)CC1 ZINC000368906284 483923283 /nfs/dbraw/zinc/92/32/83/483923283.db2.gz ZSGSRENEFXPNMC-UHFFFAOYSA-N 0 3 369.510 -0.049 20 0 FBADHN CCOC(=O)NCCC(=O)N1CCN(CCN2CCCOCC2)CC1 ZINC000368919408 483923482 /nfs/dbraw/zinc/92/34/82/483923482.db2.gz CLOPRIMSDWHVBZ-UHFFFAOYSA-N 0 3 356.467 -0.011 20 0 FBADHN CNS(=O)(=O)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000368924316 483925198 /nfs/dbraw/zinc/92/51/98/483925198.db2.gz KCNXTFIGWDZAJF-UHFFFAOYSA-N 0 3 369.491 -0.063 20 0 FBADHN O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000368927498 483926001 /nfs/dbraw/zinc/92/60/01/483926001.db2.gz WMFPSWOVNMCSHR-ILXRZTDVSA-N 0 3 369.487 -0.281 20 0 FBADHN O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000368927499 483926485 /nfs/dbraw/zinc/92/64/85/483926485.db2.gz WMFPSWOVNMCSHR-KFWWJZLASA-N 0 3 369.487 -0.281 20 0 FBADHN O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000368927500 483925893 /nfs/dbraw/zinc/92/58/93/483925893.db2.gz WMFPSWOVNMCSHR-QLFBSQMISA-N 0 3 369.487 -0.281 20 0 FBADHN O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000368927501 483925291 /nfs/dbraw/zinc/92/52/91/483925291.db2.gz WMFPSWOVNMCSHR-RBSFLKMASA-N 0 3 369.487 -0.281 20 0 FBADHN C[C@H](CO)N1CCCN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000368949747 483926261 /nfs/dbraw/zinc/92/62/61/483926261.db2.gz JXOVLYSRCVDKOI-CVEARBPZSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@@H](CO)N1CCCN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000368949751 483926326 /nfs/dbraw/zinc/92/63/26/483926326.db2.gz JXOVLYSRCVDKOI-HOTGVXAUSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@H](CO)N1CCCN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000368949752 483925772 /nfs/dbraw/zinc/92/57/72/483925772.db2.gz JXOVLYSRCVDKOI-HZPDHXFCSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@@H](NC(=O)CN1CCCN([C@@H](C)CO)CC1)C(=O)N1CCCCC1 ZINC000368949753 483925431 /nfs/dbraw/zinc/92/54/31/483925431.db2.gz JXOVLYSRCVDKOI-JKSUJKDBSA-N 0 3 354.495 -0.108 20 0 FBADHN CN1CCN(CCC2CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)CC1 ZINC000368952241 483925732 /nfs/dbraw/zinc/92/57/32/483925732.db2.gz VFDZRSNMWYJSCS-UHFFFAOYSA-N 0 3 350.463 -0.085 20 0 FBADHN C[C@@H](CO)N1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000368972034 483928494 /nfs/dbraw/zinc/92/84/94/483928494.db2.gz FBFBQWUKDAPVHA-AWEZNQCLSA-N 0 3 370.475 -0.383 20 0 FBADHN 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/nfs/dbraw/zinc/97/22/90/483972290.db2.gz XNAAWLYGRPHJAK-UONOGXRCSA-N 0 3 358.508 -0.017 20 0 FBADHN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000369606211 245449274 /nfs/dbraw/zinc/44/92/74/245449274.db2.gz XNAAWLYGRPHJAK-ZIAGYGMSSA-N 0 3 358.508 -0.017 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)N2CCCN(CCCOC)CC2)CC1 ZINC000369656953 483974686 /nfs/dbraw/zinc/97/46/86/483974686.db2.gz MGFQLFXLHCWQJL-UHFFFAOYSA-N 0 3 369.510 -0.049 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)N1CCCN(CCCOC)CC1 ZINC000369658623 483974181 /nfs/dbraw/zinc/97/41/81/483974181.db2.gz QUYIMFRIJDFDNV-UHFFFAOYSA-N 0 3 350.485 -0.321 20 0 FBADHN COCCCN1CCCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000369660457 483974873 /nfs/dbraw/zinc/97/48/73/483974873.db2.gz JCKXMUFLXPEXMA-UHFFFAOYSA-N 0 3 356.467 -0.011 20 0 FBADHN COCCCN1CCCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000369660495 483974919 /nfs/dbraw/zinc/97/49/19/483974919.db2.gz JJFDPOIQHBEORR-UHFFFAOYSA-N 0 3 355.439 -0.318 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NCCN3CCCS3(=O)=O)n2)CC1 ZINC000369662376 484139020 /nfs/dbraw/zinc/13/90/20/484139020.db2.gz HFKXZEFFZKUDKJ-UHFFFAOYSA-N 0 3 370.479 0.307 20 0 FBADHN COCCCN1CCCN(C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000369665747 483973928 /nfs/dbraw/zinc/97/39/28/483973928.db2.gz SLXLKCRTPZJONV-UHFFFAOYSA-N 0 3 369.510 -0.096 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369672095 484428586 /nfs/dbraw/zinc/42/85/86/484428586.db2.gz XOIJXPBQAKLMSP-UHFFFAOYSA-N 0 3 358.468 0.211 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NCCCNS(C)(=O)=O)n2)CC1 ZINC000369676258 484138363 /nfs/dbraw/zinc/13/83/63/484138363.db2.gz NKJOAWHANOSLID-UHFFFAOYSA-N 0 3 358.468 0.211 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1=O ZINC000369679046 483977358 /nfs/dbraw/zinc/97/73/58/483977358.db2.gz CJQSSQRVDRBLCA-DLBZAZTESA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1=O ZINC000369679047 483976695 /nfs/dbraw/zinc/97/66/95/483976695.db2.gz CJQSSQRVDRBLCA-IAGOWNOFSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1=O ZINC000369679048 483976718 /nfs/dbraw/zinc/97/67/18/483976718.db2.gz CJQSSQRVDRBLCA-IRXDYDNUSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1=O ZINC000369679049 483977073 /nfs/dbraw/zinc/97/70/73/483977073.db2.gz CJQSSQRVDRBLCA-SJORKVTESA-N 0 3 366.506 -0.033 20 0 FBADHN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369681216 483977518 /nfs/dbraw/zinc/97/75/18/483977518.db2.gz JEQOUKHKBVXQDK-CYBMUJFWSA-N 0 3 362.434 -0.175 20 0 FBADHN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369681217 483977102 /nfs/dbraw/zinc/97/71/02/483977102.db2.gz JEQOUKHKBVXQDK-ZDUSSCGKSA-N 0 3 362.434 -0.175 20 0 FBADHN COCCCS(=O)(=O)NCCN1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000369702429 483978945 /nfs/dbraw/zinc/97/89/45/483978945.db2.gz ITCYJNGYKLDBMT-DZGCQCFKSA-N 0 3 364.464 -0.546 20 0 FBADHN CN1CCC2(CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)CC1 ZINC000369720145 483979195 /nfs/dbraw/zinc/97/91/95/483979195.db2.gz FKCPGSWMAWMUAG-UHFFFAOYSA-N 0 3 370.475 -0.420 20 0 FBADHN NC(=O)Cn1cc(C(=O)NCC2(N3CCSCC3)CCCC2)nn1 ZINC000369726590 483978335 /nfs/dbraw/zinc/97/83/35/483978335.db2.gz WVGMLXGFNPVPSJ-UHFFFAOYSA-N 0 3 352.464 -0.145 20 0 FBADHN CN1CCN(CCC2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)CC1 ZINC000369726849 483978843 /nfs/dbraw/zinc/97/88/43/483978843.db2.gz HQYBREQKANAJDL-UHFFFAOYSA-N 0 3 363.466 -0.747 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000369741559 483978504 /nfs/dbraw/zinc/97/85/04/483978504.db2.gz WQESSAVQIZEBFV-CYBMUJFWSA-N 0 3 350.485 -0.322 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000369741567 483979308 /nfs/dbraw/zinc/97/93/08/483979308.db2.gz WQESSAVQIZEBFV-ZDUSSCGKSA-N 0 3 350.485 -0.322 20 0 FBADHN C[C@H](O)c1cn(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)nn1 ZINC000369779446 483981330 /nfs/dbraw/zinc/98/13/30/483981330.db2.gz WCVHASVWNAGXND-DZKIICNBSA-N 0 3 350.467 -0.184 20 0 FBADHN C[C@H](O)c1cn(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)nn1 ZINC000369779447 245458801 /nfs/dbraw/zinc/45/88/01/245458801.db2.gz WCVHASVWNAGXND-IJEWVQPXSA-N 0 3 350.467 -0.184 20 0 FBADHN C[C@H](O)c1cn(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)nn1 ZINC000369779448 483980765 /nfs/dbraw/zinc/98/07/65/483980765.db2.gz WCVHASVWNAGXND-OFQRWUPVSA-N 0 3 350.467 -0.184 20 0 FBADHN C[C@H](O)c1cn(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)nn1 ZINC000369779449 483980040 /nfs/dbraw/zinc/98/00/40/483980040.db2.gz WCVHASVWNAGXND-YCPHGPKFSA-N 0 3 350.467 -0.184 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N[C@@H]2CCN(c3ccn(C)n3)C2=O)n1 ZINC000369779882 484106899 /nfs/dbraw/zinc/10/68/99/484106899.db2.gz MQBFEYBATBOUFL-GFCCVEGCSA-N 0 3 360.422 0.105 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N[C@H]2CCN(c3ccn(C)n3)C2=O)n1 ZINC000369779883 484106995 /nfs/dbraw/zinc/10/69/95/484106995.db2.gz MQBFEYBATBOUFL-LBPRGKRZSA-N 0 3 360.422 0.105 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000369779887 484105528 /nfs/dbraw/zinc/10/55/28/484105528.db2.gz MQUWKXHGASYFCW-CABCVRRESA-N 0 3 350.467 0.508 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000369779888 484105266 /nfs/dbraw/zinc/10/52/66/484105266.db2.gz MQUWKXHGASYFCW-GJZGRUSLSA-N 0 3 350.467 0.508 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000369779889 484104915 /nfs/dbraw/zinc/10/49/15/484104915.db2.gz MQUWKXHGASYFCW-HUUCEWRRSA-N 0 3 350.467 0.508 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000369779890 484105699 /nfs/dbraw/zinc/10/56/99/484105699.db2.gz MQUWKXHGASYFCW-LSDHHAIUSA-N 0 3 350.467 0.508 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000369783737 484198604 /nfs/dbraw/zinc/19/86/04/484198604.db2.gz WFYRXLRDCORRCD-GFCCVEGCSA-N 0 3 358.468 -0.010 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000369783742 484197700 /nfs/dbraw/zinc/19/77/00/484197700.db2.gz WFYRXLRDCORRCD-LBPRGKRZSA-N 0 3 358.468 -0.010 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCN(C)CCCOC)C1 ZINC000369789703 483983005 /nfs/dbraw/zinc/98/30/05/483983005.db2.gz IWVODLFYWLNSRE-CYBMUJFWSA-N 0 3 350.485 -0.322 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCN(C)CCCOC)C1 ZINC000369789704 483983306 /nfs/dbraw/zinc/98/33/06/483983306.db2.gz IWVODLFYWLNSRE-ZDUSSCGKSA-N 0 3 350.485 -0.322 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000369791918 483982915 /nfs/dbraw/zinc/98/29/15/483982915.db2.gz FCCYWSZQIRGILX-AWEZNQCLSA-N 0 3 352.439 -0.207 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000369791923 483982285 /nfs/dbraw/zinc/98/22/85/483982285.db2.gz FCCYWSZQIRGILX-CQSZACIVSA-N 0 3 352.439 -0.207 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)c2cnn(C)c2)CC1=O ZINC000369792373 483983036 /nfs/dbraw/zinc/98/30/36/483983036.db2.gz HBHXSBDWSMFDNB-BMFZPTHFSA-N 0 3 363.462 -0.098 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)c2cnn(C)c2)CC1=O ZINC000369792374 535554585 /nfs/dbraw/zinc/55/45/85/535554585.db2.gz HBHXSBDWSMFDNB-FVQBIDKESA-N 0 3 363.462 -0.098 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](O)c2cnn(C)c2)CC1=O ZINC000369792375 483982465 /nfs/dbraw/zinc/98/24/65/483982465.db2.gz HBHXSBDWSMFDNB-IMJJTQAJSA-N 0 3 363.462 -0.098 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](O)c2cnn(C)c2)CC1=O ZINC000369792376 483982253 /nfs/dbraw/zinc/98/22/53/483982253.db2.gz HBHXSBDWSMFDNB-NUEKZKHPSA-N 0 3 363.462 -0.098 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000369793607 483982962 /nfs/dbraw/zinc/98/29/62/483982962.db2.gz LDOUTSKPDASITF-CYBMUJFWSA-N 0 3 352.439 -0.207 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000369793753 483983086 /nfs/dbraw/zinc/98/30/86/483983086.db2.gz LDOUTSKPDASITF-ZDUSSCGKSA-N 0 3 352.439 -0.207 20 0 FBADHN CN(C)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000369813905 483983214 /nfs/dbraw/zinc/98/32/14/483983214.db2.gz LHYZGGQGNIMBNX-OCCSQVGLSA-N 0 3 359.423 -0.373 20 0 FBADHN COCCN1CC[C@H](NC(=O)N2CCCN(CC(=O)NC(C)C)CC2)C1 ZINC000369818053 483982356 /nfs/dbraw/zinc/98/23/56/483982356.db2.gz FNHFRLPZGLRDAO-INIZCTEOSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCN1CC[C@@H](NC(=O)N2CCCN(CC(=O)NC(C)C)CC2)C1 ZINC000369818054 483983155 /nfs/dbraw/zinc/98/31/55/483983155.db2.gz FNHFRLPZGLRDAO-MRXNPFEDSA-N 0 3 369.510 -0.051 20 0 FBADHN Cc1nc([C@H]2COCCN2C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)no1 ZINC000369845293 483984335 /nfs/dbraw/zinc/98/43/35/483984335.db2.gz JEHHFDRTCBHXCP-CHWSQXEVSA-N 0 3 351.407 -0.312 20 0 FBADHN Cc1nc([C@@H]2COCCN2C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)no1 ZINC000369845294 483985577 /nfs/dbraw/zinc/98/55/77/483985577.db2.gz JEHHFDRTCBHXCP-OLZOCXBDSA-N 0 3 351.407 -0.312 20 0 FBADHN Cc1nc([C@H]2COCCN2C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)no1 ZINC000369845295 483984747 /nfs/dbraw/zinc/98/47/47/483984747.db2.gz JEHHFDRTCBHXCP-QWHCGFSZSA-N 0 3 351.407 -0.312 20 0 FBADHN Cc1nc([C@@H]2COCCN2C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)no1 ZINC000369845296 483985789 /nfs/dbraw/zinc/98/57/89/483985789.db2.gz JEHHFDRTCBHXCP-STQMWFEESA-N 0 3 351.407 -0.312 20 0 FBADHN COCCCN1CCCN(C(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000369851353 483984542 /nfs/dbraw/zinc/98/45/42/483984542.db2.gz LVGCYCDDHYOXLI-UHFFFAOYSA-N 0 3 365.496 -0.199 20 0 FBADHN C[C@](O)(CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)CN1CCOCC1 ZINC000369860600 483985253 /nfs/dbraw/zinc/98/52/53/483985253.db2.gz QRGJOFXLRXIDSQ-INMHGKMJSA-N 0 3 356.467 -0.768 20 0 FBADHN C[C@](O)(CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)CN1CCOCC1 ZINC000369860602 483985952 /nfs/dbraw/zinc/98/59/52/483985952.db2.gz QRGJOFXLRXIDSQ-UXLLHSPISA-N 0 3 356.467 -0.768 20 0 FBADHN C[C@](O)(CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)CN1CCOCC1 ZINC000369860603 483985917 /nfs/dbraw/zinc/98/59/17/483985917.db2.gz QRGJOFXLRXIDSQ-VYDXJSESSA-N 0 3 356.467 -0.768 20 0 FBADHN C[C@](O)(CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)CN1CCOCC1 ZINC000369860604 483985622 /nfs/dbraw/zinc/98/56/22/483985622.db2.gz QRGJOFXLRXIDSQ-ZOBUZTSGSA-N 0 3 356.467 -0.768 20 0 FBADHN 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/nfs/dbraw/zinc/02/19/06/484021906.db2.gz WYRWNUVBLMRJPW-MRXNPFEDSA-N 0 3 350.463 -0.455 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000370376275 484020999 /nfs/dbraw/zinc/02/09/99/484020999.db2.gz YHKDOMJMWVWFQL-KBPBESRZSA-N 0 3 368.459 -0.075 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000370376276 484021486 /nfs/dbraw/zinc/02/14/86/484021486.db2.gz YHKDOMJMWVWFQL-KGLIPLIRSA-N 0 3 368.459 -0.075 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000370376277 484022425 /nfs/dbraw/zinc/02/24/25/484022425.db2.gz YHKDOMJMWVWFQL-UONOGXRCSA-N 0 3 368.459 -0.075 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000370376278 484021429 /nfs/dbraw/zinc/02/14/29/484021429.db2.gz YHKDOMJMWVWFQL-ZIAGYGMSSA-N 0 3 368.459 -0.075 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CN3CCC[C@H]3CO1)CC2 ZINC000370387212 484021626 /nfs/dbraw/zinc/02/16/26/484021626.db2.gz OLUWHZNNPYTSSF-HZSPNIEDSA-N 0 3 364.450 -0.098 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000370387214 484022187 /nfs/dbraw/zinc/02/21/87/484022187.db2.gz OLUWHZNNPYTSSF-MCIONIFRSA-N 0 3 364.450 -0.098 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000370387215 484021107 /nfs/dbraw/zinc/02/11/07/484021107.db2.gz OLUWHZNNPYTSSF-MGPQQGTHSA-N 0 3 364.450 -0.098 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CN3CCC[C@H]3CO1)CC2 ZINC000370387217 484021452 /nfs/dbraw/zinc/02/14/52/484021452.db2.gz OLUWHZNNPYTSSF-RDBSUJKOSA-N 0 3 364.450 -0.098 20 0 FBADHN Cc1oc(C(=O)N2CCCN(CCN(C)C)CC2)cc1S(N)(=O)=O ZINC000370393570 484023400 /nfs/dbraw/zinc/02/34/00/484023400.db2.gz HBBGMCNICLBARK-UHFFFAOYSA-N 0 3 358.464 -0.055 20 0 FBADHN CC(C)C[N@H+]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000370394164 484023086 /nfs/dbraw/zinc/02/30/86/484023086.db2.gz JMTSDUIUWRROPT-UHFFFAOYSA-N 0 3 357.480 -0.111 20 0 FBADHN CC(C)C[N@@H+]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000370394164 484023079 /nfs/dbraw/zinc/02/30/79/484023079.db2.gz JMTSDUIUWRROPT-UHFFFAOYSA-N 0 3 357.480 -0.111 20 0 FBADHN COCCCN1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000370396360 484023253 /nfs/dbraw/zinc/02/32/53/484023253.db2.gz UGDKJVSAAUDZDR-UHFFFAOYSA-N 0 3 373.479 -0.731 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCN([C@@H]3CCSC3)CC2)cn1 ZINC000370403961 484023607 /nfs/dbraw/zinc/02/36/07/484023607.db2.gz CWUJMZFSYBDHPT-CYBMUJFWSA-N 0 3 359.521 -0.179 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCN([C@H]3CCSC3)CC2)cn1 ZINC000370403962 484024099 /nfs/dbraw/zinc/02/40/99/484024099.db2.gz CWUJMZFSYBDHPT-ZDUSSCGKSA-N 0 3 359.521 -0.179 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)CN1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370408619 245493452 /nfs/dbraw/zinc/49/34/52/245493452.db2.gz WZMAORBKGXLPOW-GOSISDBHSA-N 0 3 366.462 -0.752 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)CN1CC[C@]2(C1)CCCN(C)C2=O ZINC000370408620 484023934 /nfs/dbraw/zinc/02/39/34/484023934.db2.gz WZMAORBKGXLPOW-SFHVURJKSA-N 0 3 366.462 -0.752 20 0 FBADHN CN(CCCNC(=O)CN1CC[C@]2(C1)CCCN(C)C2=O)S(C)(=O)=O ZINC000370410877 536353394 /nfs/dbraw/zinc/35/33/94/536353394.db2.gz STDZOINVLYSESH-INIZCTEOSA-N 0 3 374.507 -0.672 20 0 FBADHN CN(CCCNC(=O)CN1CC[C@@]2(C1)CCCN(C)C2=O)S(C)(=O)=O ZINC000370410878 484023981 /nfs/dbraw/zinc/02/39/81/484023981.db2.gz STDZOINVLYSESH-MRXNPFEDSA-N 0 3 374.507 -0.672 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CC[C@]3(C2)CCCN(C)C3=O)cn1 ZINC000370411041 484024772 /nfs/dbraw/zinc/02/47/72/484024772.db2.gz VGKZLRJPVXJFIB-HNNXBMFYSA-N 0 3 355.464 -0.357 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CC[C@@]3(C2)CCCN(C)C3=O)cn1 ZINC000370411042 484026004 /nfs/dbraw/zinc/02/60/04/484026004.db2.gz VGKZLRJPVXJFIB-OAHLLOKOSA-N 0 3 355.464 -0.357 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370422029 484025315 /nfs/dbraw/zinc/02/53/15/484025315.db2.gz GZKQKGBFWHPHNP-HNNXBMFYSA-N 0 3 360.524 -0.105 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000370422032 484024897 /nfs/dbraw/zinc/02/48/97/484024897.db2.gz CEPTWKWAXFLXOR-KBPBESRZSA-N 0 3 351.451 -0.399 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000370422033 484025906 /nfs/dbraw/zinc/02/59/06/484025906.db2.gz CEPTWKWAXFLXOR-KGLIPLIRSA-N 0 3 351.451 -0.399 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370422034 484025526 /nfs/dbraw/zinc/02/55/26/484025526.db2.gz GZKQKGBFWHPHNP-OAHLLOKOSA-N 0 3 360.524 -0.105 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)CC1 ZINC000370422035 484024981 /nfs/dbraw/zinc/02/49/81/484024981.db2.gz CEPTWKWAXFLXOR-UONOGXRCSA-N 0 3 351.451 -0.399 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)CC1 ZINC000370422036 484025788 /nfs/dbraw/zinc/02/57/88/484025788.db2.gz CEPTWKWAXFLXOR-ZIAGYGMSSA-N 0 3 351.451 -0.399 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000370423427 484025211 /nfs/dbraw/zinc/02/52/11/484025211.db2.gz LIKBUXIPSYJPGD-AWEZNQCLSA-N 0 3 360.524 -0.059 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000370423428 484025472 /nfs/dbraw/zinc/02/54/72/484025472.db2.gz LIKBUXIPSYJPGD-CQSZACIVSA-N 0 3 360.524 -0.059 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000370423724 484025348 /nfs/dbraw/zinc/02/53/48/484025348.db2.gz MIFHDXSHFCMZDG-AWEZNQCLSA-N 0 3 365.478 -0.056 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000370423725 484025140 /nfs/dbraw/zinc/02/51/40/484025140.db2.gz MIFHDXSHFCMZDG-CQSZACIVSA-N 0 3 365.478 -0.056 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C2)CC1 ZINC000370423974 484025541 /nfs/dbraw/zinc/02/55/41/484025541.db2.gz MYQPZZQBVOTWPN-HNNXBMFYSA-N 0 3 358.508 -0.351 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C2)CC1 ZINC000370423976 484026053 /nfs/dbraw/zinc/02/60/53/484026053.db2.gz MYQPZZQBVOTWPN-OAHLLOKOSA-N 0 3 358.508 -0.351 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)CC1 ZINC000370424026 484025474 /nfs/dbraw/zinc/02/54/74/484025474.db2.gz NHUBAACXJJCCGL-AWEZNQCLSA-N 0 3 351.451 -0.493 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)CC1 ZINC000370424027 484024811 /nfs/dbraw/zinc/02/48/11/484024811.db2.gz NHUBAACXJJCCGL-CQSZACIVSA-N 0 3 351.451 -0.493 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)CC1 ZINC000370426787 484025302 /nfs/dbraw/zinc/02/53/02/484025302.db2.gz ZISYATVKCVGUFZ-HNNXBMFYSA-N 0 3 363.462 -0.826 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)CC1 ZINC000370426788 484025652 /nfs/dbraw/zinc/02/56/52/484025652.db2.gz ZISYATVKCVGUFZ-OAHLLOKOSA-N 0 3 363.462 -0.826 20 0 FBADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000370427234 484025552 /nfs/dbraw/zinc/02/55/52/484025552.db2.gz CPALPOQYHKYJGY-SECBINFHSA-N 0 3 367.424 -0.455 20 0 FBADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000370427235 484025124 /nfs/dbraw/zinc/02/51/24/484025124.db2.gz CPALPOQYHKYJGY-VIFPVBQESA-N 0 3 367.424 -0.455 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCCN(CCCOC)CC1 ZINC000370463303 483443985 /nfs/dbraw/zinc/44/39/85/483443985.db2.gz JUIYJBVTASKULQ-UHFFFAOYSA-N 0 3 365.496 -0.487 20 0 FBADHN CCN1C(=O)[C@H]2CN(C(=O)NCCN(C)CCCOC)CCN2C1=O ZINC000370466088 484029023 /nfs/dbraw/zinc/02/90/23/484029023.db2.gz VLUFMGFNZCCRFC-CYBMUJFWSA-N 0 3 355.439 -0.367 20 0 FBADHN CCN1C(=O)[C@@H]2CN(C(=O)NCCN(C)CCCOC)CCN2C1=O ZINC000370466089 484028405 /nfs/dbraw/zinc/02/84/05/484028405.db2.gz VLUFMGFNZCCRFC-ZDUSSCGKSA-N 0 3 355.439 -0.367 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCCN(CCN(C)C)CC1 ZINC000370471619 484028892 /nfs/dbraw/zinc/02/88/92/484028892.db2.gz LGEGUATVNUIHAL-UHFFFAOYSA-N 0 3 364.512 -0.962 20 0 FBADHN CCN1C(=O)[C@H]2CN(C(=O)Nc3ccn(CCN(C)C)n3)CCN2C1=O ZINC000370473156 484348600 /nfs/dbraw/zinc/34/86/00/484348600.db2.gz RBPDBDJXUPNKBG-GFCCVEGCSA-N 0 3 363.422 -0.055 20 0 FBADHN CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccn(CCN(C)C)n3)CCN2C1=O ZINC000370473160 484348695 /nfs/dbraw/zinc/34/86/95/484348695.db2.gz RBPDBDJXUPNKBG-LBPRGKRZSA-N 0 3 363.422 -0.055 20 0 FBADHN COCCN(CCO)C(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000370476393 484028856 /nfs/dbraw/zinc/02/88/56/484028856.db2.gz INUFQAUTQGIESB-UHFFFAOYSA-N 0 3 367.450 -0.225 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2O1 ZINC000370502762 484031376 /nfs/dbraw/zinc/03/13/76/484031376.db2.gz JXRUYXVYTNPJMR-CYBMUJFWSA-N 0 3 358.398 -0.097 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2O1 ZINC000370502763 484030855 /nfs/dbraw/zinc/03/08/55/484030855.db2.gz JXRUYXVYTNPJMR-ZDUSSCGKSA-N 0 3 358.398 -0.097 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)c2ccccc2O1 ZINC000370503984 484030780 /nfs/dbraw/zinc/03/07/80/484030780.db2.gz BFXHXADZDMBSJP-LLVKDONJSA-N 0 3 360.370 -0.237 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)c2ccccc2O1 ZINC000370503985 484031335 /nfs/dbraw/zinc/03/13/35/484031335.db2.gz BFXHXADZDMBSJP-NSHDSACASA-N 0 3 360.370 -0.237 20 0 FBADHN Cn1nnnc1N1CCC(NCc2cnc(N3CCN(C)CC3)nc2)CC1 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CCOC(=O)CCCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372045153 484122599 /nfs/dbraw/zinc/12/25/99/484122599.db2.gz BSIGUOZZOWXTLD-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000372046485 484122343 /nfs/dbraw/zinc/12/23/43/484122343.db2.gz KVSPBQSITYXMBF-AWEZNQCLSA-N 0 3 354.451 -0.754 20 0 FBADHN CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372046486 484121909 /nfs/dbraw/zinc/12/19/09/484121909.db2.gz KVSPBQSITYXMBF-CQSZACIVSA-N 0 3 354.451 -0.754 20 0 FBADHN COCCN(C)CCNC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000372050918 484121956 /nfs/dbraw/zinc/12/19/56/484121956.db2.gz AECGZZHQGIFULH-AWEZNQCLSA-N 0 3 362.496 -0.226 20 0 FBADHN COCCN(C)CCNC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000372050919 484121834 /nfs/dbraw/zinc/12/18/34/484121834.db2.gz AECGZZHQGIFULH-CQSZACIVSA-N 0 3 362.496 -0.226 20 0 FBADHN Cc1nnc(SCC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[n-]1 ZINC000372054866 484122766 /nfs/dbraw/zinc/12/27/66/484122766.db2.gz GXAFTCDUCKTQNM-GFCCVEGCSA-N 0 3 352.464 -0.030 20 0 FBADHN Cc1nnc(SCC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[n-]1 ZINC000372054866 484122763 /nfs/dbraw/zinc/12/27/63/484122763.db2.gz GXAFTCDUCKTQNM-GFCCVEGCSA-N 0 3 352.464 -0.030 20 0 FBADHN Cc1nnc(SCC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[n-]1 ZINC000372054867 484122265 /nfs/dbraw/zinc/12/22/65/484122265.db2.gz GXAFTCDUCKTQNM-LBPRGKRZSA-N 0 3 352.464 -0.030 20 0 FBADHN Cc1nnc(SCC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[n-]1 ZINC000372054867 484122257 /nfs/dbraw/zinc/12/22/57/484122257.db2.gz GXAFTCDUCKTQNM-LBPRGKRZSA-N 0 3 352.464 -0.030 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNc2ccc(C(N)=O)cc2)CC1 ZINC000372054954 484122400 /nfs/dbraw/zinc/12/24/00/484122400.db2.gz IUCSOKZLBGZMGE-INIZCTEOSA-N 0 3 373.457 -0.038 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNc2ccc(C(N)=O)cc2)CC1 ZINC000372054955 484122167 /nfs/dbraw/zinc/12/21/67/484122167.db2.gz IUCSOKZLBGZMGE-MRXNPFEDSA-N 0 3 373.457 -0.038 20 0 FBADHN CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000372055784 484121765 /nfs/dbraw/zinc/12/17/65/484121765.db2.gz HGXUKIKULMESCM-KBPBESRZSA-N 0 3 354.476 -0.327 20 0 FBADHN CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372055785 484122295 /nfs/dbraw/zinc/12/22/95/484122295.db2.gz HGXUKIKULMESCM-KGLIPLIRSA-N 0 3 354.476 -0.327 20 0 FBADHN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000372055786 484121876 /nfs/dbraw/zinc/12/18/76/484121876.db2.gz HGXUKIKULMESCM-UONOGXRCSA-N 0 3 354.476 -0.327 20 0 FBADHN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372055787 484122205 /nfs/dbraw/zinc/12/22/05/484122205.db2.gz HGXUKIKULMESCM-ZIAGYGMSSA-N 0 3 354.476 -0.327 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000372056553 484122665 /nfs/dbraw/zinc/12/26/65/484122665.db2.gz RDSNMHVLXNRWQJ-DZGCQCFKSA-N 0 3 374.445 -0.472 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000372056554 484121692 /nfs/dbraw/zinc/12/16/92/484121692.db2.gz RDSNMHVLXNRWQJ-HIFRSBDPSA-N 0 3 374.445 -0.472 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000372056555 484121505 /nfs/dbraw/zinc/12/15/05/484121505.db2.gz RDSNMHVLXNRWQJ-UKRRQHHQSA-N 0 3 374.445 -0.472 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000372056556 484122052 /nfs/dbraw/zinc/12/20/52/484122052.db2.gz RDSNMHVLXNRWQJ-ZFWWWQNUSA-N 0 3 374.445 -0.472 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000372059258 484122480 /nfs/dbraw/zinc/12/24/80/484122480.db2.gz ABUXYSRWNWIDNE-AWEZNQCLSA-N 0 3 357.476 -0.424 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000372059259 484121618 /nfs/dbraw/zinc/12/16/18/484121618.db2.gz ABUXYSRWNWIDNE-CQSZACIVSA-N 0 3 357.476 -0.424 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000372059305 484122709 /nfs/dbraw/zinc/12/27/09/484122709.db2.gz BCXAMKLXCSUFPT-KRWDZBQOSA-N 0 3 365.522 -0.221 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000372059306 484121587 /nfs/dbraw/zinc/12/15/87/484121587.db2.gz BCXAMKLXCSUFPT-QGZVFWFLSA-N 0 3 365.522 -0.221 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000372060604 484122428 /nfs/dbraw/zinc/12/24/28/484122428.db2.gz UJJHDMLSHPWLBI-AWEZNQCLSA-N 0 3 372.491 -0.823 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000372060605 484121795 /nfs/dbraw/zinc/12/17/95/484121795.db2.gz UJJHDMLSHPWLBI-CQSZACIVSA-N 0 3 372.491 -0.823 20 0 FBADHN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000372060751 484122650 /nfs/dbraw/zinc/12/26/50/484122650.db2.gz VYIOLDCMHIZKSR-KBPBESRZSA-N 0 3 353.467 -0.022 20 0 FBADHN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000372060754 484122099 /nfs/dbraw/zinc/12/20/99/484122099.db2.gz VYIOLDCMHIZKSR-KGLIPLIRSA-N 0 3 353.467 -0.022 20 0 FBADHN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372060755 484122615 /nfs/dbraw/zinc/12/26/15/484122615.db2.gz VYIOLDCMHIZKSR-UONOGXRCSA-N 0 3 353.467 -0.022 20 0 FBADHN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372060757 484121999 /nfs/dbraw/zinc/12/19/99/484121999.db2.gz VYIOLDCMHIZKSR-ZIAGYGMSSA-N 0 3 353.467 -0.022 20 0 FBADHN Cc1c(C(=O)NCCOCC(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000372069771 484122570 /nfs/dbraw/zinc/12/25/70/484122570.db2.gz FTIKEURVAHUIHW-UHFFFAOYSA-N 0 3 372.429 -0.205 20 0 FBADHN CNC(=O)C1CN(C(=O)C(=O)Nc2cnn(CCN3CCCCC3)c2)C1 ZINC000372089215 484123797 /nfs/dbraw/zinc/12/37/97/484123797.db2.gz SZQVMAVGRQFIGB-UHFFFAOYSA-N 0 3 362.434 -0.488 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000372094938 484123623 /nfs/dbraw/zinc/12/36/23/484123623.db2.gz KGUYCIUTKZUUKK-KBPBESRZSA-N 0 3 374.507 -0.675 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000372094941 484123831 /nfs/dbraw/zinc/12/38/31/484123831.db2.gz KGUYCIUTKZUUKK-KGLIPLIRSA-N 0 3 374.507 -0.675 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000372094943 484124310 /nfs/dbraw/zinc/12/43/10/484124310.db2.gz KGUYCIUTKZUUKK-UONOGXRCSA-N 0 3 374.507 -0.675 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000372094944 484123843 /nfs/dbraw/zinc/12/38/43/484123843.db2.gz KGUYCIUTKZUUKK-ZIAGYGMSSA-N 0 3 374.507 -0.675 20 0 FBADHN CN1CCN(C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)CCO2)CC1 ZINC000372098217 484124158 /nfs/dbraw/zinc/12/41/58/484124158.db2.gz HRZHAZVOOPMCMP-GOSISDBHSA-N 0 3 358.486 -0.043 20 0 FBADHN CN1CCN(C[C@H]2CN(C(=O)C3(N)Cc4ccccc4C3)CCO2)CC1 ZINC000372098218 484124190 /nfs/dbraw/zinc/12/41/90/484124190.db2.gz HRZHAZVOOPMCMP-SFHVURJKSA-N 0 3 358.486 -0.043 20 0 FBADHN O=C(NC[C@H](O)CN1CCCCC1)c1cnn(CCN2CCOCC2)c1 ZINC000372107288 484126204 /nfs/dbraw/zinc/12/62/04/484126204.db2.gz ICCIVIGXQMPVJO-KRWDZBQOSA-N 0 3 365.478 -0.208 20 0 FBADHN O=C(NC[C@@H](O)CN1CCCCC1)c1cnn(CCN2CCOCC2)c1 ZINC000372107289 484124904 /nfs/dbraw/zinc/12/49/04/484124904.db2.gz ICCIVIGXQMPVJO-QGZVFWFLSA-N 0 3 365.478 -0.208 20 0 FBADHN O=C(Cn1cc(C(=O)NC[C@H](O)CN2CCCCC2)nn1)N1CCCC1 ZINC000372107684 484125137 /nfs/dbraw/zinc/12/51/37/484125137.db2.gz LCAOMDWOQRPBOA-AWEZNQCLSA-N 0 3 364.450 -0.523 20 0 FBADHN O=C(Cn1cc(C(=O)NC[C@@H](O)CN2CCCCC2)nn1)N1CCCC1 ZINC000372107685 484124966 /nfs/dbraw/zinc/12/49/66/484124966.db2.gz LCAOMDWOQRPBOA-CQSZACIVSA-N 0 3 364.450 -0.523 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000372113972 484206785 /nfs/dbraw/zinc/20/67/85/484206785.db2.gz NNERECKLJKMFJK-CYBMUJFWSA-N 0 3 372.495 0.379 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000372113975 484207018 /nfs/dbraw/zinc/20/70/18/484207018.db2.gz NNERECKLJKMFJK-ZDUSSCGKSA-N 0 3 372.495 0.379 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(N3CCCNC3=O)CC2)CC1=O ZINC000372126445 484125628 /nfs/dbraw/zinc/12/56/28/484125628.db2.gz ZVUNRDKPRXHYHS-AWEZNQCLSA-N 0 3 365.478 -0.197 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC(N3CCCNC3=O)CC2)CC1=O ZINC000372126446 484125578 /nfs/dbraw/zinc/12/55/78/484125578.db2.gz ZVUNRDKPRXHYHS-CQSZACIVSA-N 0 3 365.478 -0.197 20 0 FBADHN CCN(CCO)CCNC(=O)C1CCN(C(=O)N2CCOCC2)CC1 ZINC000372128626 484125367 /nfs/dbraw/zinc/12/53/67/484125367.db2.gz NYIYAIPQUSJRSK-UHFFFAOYSA-N 0 3 356.467 -0.419 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000372129802 484126351 /nfs/dbraw/zinc/12/63/51/484126351.db2.gz ZQSIRKDSPCJAMO-CYBMUJFWSA-N 0 3 352.439 -0.553 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000372129804 484126961 /nfs/dbraw/zinc/12/69/61/484126961.db2.gz ZQSIRKDSPCJAMO-ZDUSSCGKSA-N 0 3 352.439 -0.553 20 0 FBADHN CCN(CCO)CCNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000372133198 484127729 /nfs/dbraw/zinc/12/77/29/484127729.db2.gz DEDZIGIEZIRZDL-UHFFFAOYSA-N 0 3 354.451 -0.083 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000372135060 484127233 /nfs/dbraw/zinc/12/72/33/484127233.db2.gz 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CCN(CCO)CCNC(=O)N[C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000373239567 484197794 /nfs/dbraw/zinc/19/77/94/484197794.db2.gz MFJKKKRCOSRUSO-AWEZNQCLSA-N 0 3 354.455 -0.044 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000373239568 484198871 /nfs/dbraw/zinc/19/88/71/484198871.db2.gz MFJKKKRCOSRUSO-CQSZACIVSA-N 0 3 354.455 -0.044 20 0 FBADHN CCN(CCO)CCNC(=O)NC[C@@]1(N2CCOCC2)CCCOC1 ZINC000373240681 484197741 /nfs/dbraw/zinc/19/77/41/484197741.db2.gz UCQQPLNLZUAYTE-KRWDZBQOSA-N 0 3 358.483 -0.519 20 0 FBADHN CCN(CCO)CCNC(=O)NC[C@]1(N2CCOCC2)CCCOC1 ZINC000373240682 484199005 /nfs/dbraw/zinc/19/90/05/484199005.db2.gz UCQQPLNLZUAYTE-QGZVFWFLSA-N 0 3 358.483 -0.519 20 0 FBADHN CN1CCC(n2ccc(NC(=O)CCN3CCCS3(=O)=O)n2)CC1 ZINC000373247579 484134379 /nfs/dbraw/zinc/13/43/79/484134379.db2.gz ZTPYRLGKQVBXRY-UHFFFAOYSA-N 0 3 355.464 0.514 20 0 FBADHN CN1C[C@H]2CN(CCCCN3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000373247668 484198477 /nfs/dbraw/zinc/19/84/77/484198477.db2.gz RYNIALHACZCVBJ-HOTGVXAUSA-N 0 3 364.494 -0.130 20 0 FBADHN CN1C[C@@H]2CN(CCCCN3CCN4C(=O)N(C)C[C@@H]4C3)CCN2C1=O ZINC000373247669 484198591 /nfs/dbraw/zinc/19/85/91/484198591.db2.gz RYNIALHACZCVBJ-HZPDHXFCSA-N 0 3 364.494 -0.130 20 0 FBADHN CN1C[C@H]2CN(CCCCN3CCN4C(=O)N(C)C[C@@H]4C3)CCN2C1=O ZINC000373247670 484198188 /nfs/dbraw/zinc/19/81/88/484198188.db2.gz RYNIALHACZCVBJ-IYBDPMFKSA-N 0 3 364.494 -0.130 20 0 FBADHN CCN1CCN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1=O ZINC000373249103 484350837 /nfs/dbraw/zinc/35/08/37/484350837.db2.gz FLTVSNIVQIMJJK-UHFFFAOYSA-N 0 3 362.434 -0.221 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000373258464 484199991 /nfs/dbraw/zinc/19/99/91/484199991.db2.gz FVSOHZMHDNEMOJ-ZDUSSCGKSA-N 0 3 352.435 -0.331 20 0 FBADHN CC(=O)NCCNC(=O)CCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373261128 484199742 /nfs/dbraw/zinc/19/97/42/484199742.db2.gz NWIQOMIJHDJGIK-AWEZNQCLSA-N 0 3 368.478 -0.269 20 0 FBADHN CCCOC(=O)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373270601 484307738 /nfs/dbraw/zinc/30/77/38/484307738.db2.gz MKCKSTHIDNFJPL-UHFFFAOYSA-N 0 3 365.434 0.548 20 0 FBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@]3(C)CCCCN3)CC2)CC1 ZINC000373318767 484201871 /nfs/dbraw/zinc/20/18/71/484201871.db2.gz RMBBLQJEIZWUNE-INIZCTEOSA-N 0 3 373.523 -0.845 20 0 FBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)CC1 ZINC000373318770 484201106 /nfs/dbraw/zinc/20/11/06/484201106.db2.gz RMBBLQJEIZWUNE-MRXNPFEDSA-N 0 3 373.523 -0.845 20 0 FBADHN C[C@H](CNC(=O)N1CCN2C(=O)N(C)C[C@H]2C1)CN1CCN(C)CC1 ZINC000373319374 484201665 /nfs/dbraw/zinc/20/16/65/484201665.db2.gz AQONHNWYFGBINJ-CABCVRRESA-N 0 3 352.483 -0.369 20 0 FBADHN C[C@@H](CNC(=O)N1CCN2C(=O)N(C)C[C@H]2C1)CN1CCN(C)CC1 ZINC000373319375 484202144 /nfs/dbraw/zinc/20/21/44/484202144.db2.gz AQONHNWYFGBINJ-GJZGRUSLSA-N 0 3 352.483 -0.369 20 0 FBADHN C[C@H](CNC(=O)N1CCN2C(=O)N(C)C[C@@H]2C1)CN1CCN(C)CC1 ZINC000373319376 484201981 /nfs/dbraw/zinc/20/19/81/484201981.db2.gz AQONHNWYFGBINJ-HUUCEWRRSA-N 0 3 352.483 -0.369 20 0 FBADHN C[C@@H](CNC(=O)N1CCN2C(=O)N(C)C[C@@H]2C1)CN1CCN(C)CC1 ZINC000373319377 484201497 /nfs/dbraw/zinc/20/14/97/484201497.db2.gz AQONHNWYFGBINJ-LSDHHAIUSA-N 0 3 352.483 -0.369 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)n2)CC1 ZINC000373323399 484134708 /nfs/dbraw/zinc/13/47/08/484134708.db2.gz YCAFBQCDGHZMJF-UHFFFAOYSA-N 0 3 365.434 0.546 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)N1CCOCC1 ZINC000373326152 484201943 /nfs/dbraw/zinc/20/19/43/484201943.db2.gz WGSPOJYZJWLKSP-AWEZNQCLSA-N 0 3 354.451 -0.260 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)N1CCOCC1 ZINC000373326153 484201042 /nfs/dbraw/zinc/20/10/42/484201042.db2.gz WGSPOJYZJWLKSP-CQSZACIVSA-N 0 3 354.451 -0.260 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCN1C(=O)CNC1=O ZINC000373334329 484201729 /nfs/dbraw/zinc/20/17/29/484201729.db2.gz UAXLOOMZRYNIRE-GFCCVEGCSA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCN1C(=O)CNC1=O ZINC000373334333 484201014 /nfs/dbraw/zinc/20/10/14/484201014.db2.gz UAXLOOMZRYNIRE-LBPRGKRZSA-N 0 3 353.423 -0.567 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C[C@@H]1OC ZINC000373334559 484370464 /nfs/dbraw/zinc/37/04/64/484370464.db2.gz UUWDPUYKCFCUCH-OKILXGFUSA-N 0 3 365.434 -0.040 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000373336381 484201145 /nfs/dbraw/zinc/20/11/45/484201145.db2.gz FVSOHZMHDNEMOJ-CYBMUJFWSA-N 0 3 352.435 -0.331 20 0 FBADHN CC(=O)NCCNC(=O)CCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373337535 484201645 /nfs/dbraw/zinc/20/16/45/484201645.db2.gz NWIQOMIJHDJGIK-CQSZACIVSA-N 0 3 368.478 -0.269 20 0 FBADHN CCN1CCN(CC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C(=O)C1=O ZINC000373337923 484201889 /nfs/dbraw/zinc/20/18/89/484201889.db2.gz FDQAYYGTFWAVIK-AWEZNQCLSA-N 0 3 366.462 -0.611 20 0 FBADHN CCN1CCN(CC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C(=O)C1=O ZINC000373357741 484203224 /nfs/dbraw/zinc/20/32/24/484203224.db2.gz FDQAYYGTFWAVIK-CQSZACIVSA-N 0 3 366.462 -0.611 20 0 FBADHN COC(=O)c1cn(C2CCN(CCC(=O)N3CCOCC3)CC2)nn1 ZINC000373378601 484202721 /nfs/dbraw/zinc/20/27/21/484202721.db2.gz QRNJZZQXPGRLDE-UHFFFAOYSA-N 0 3 351.407 -0.050 20 0 FBADHN COCCCN1CCC(NC(=O)N2CCn3c(nn(C)c3=O)C2)CC1 ZINC000373435227 484204990 /nfs/dbraw/zinc/20/49/90/484204990.db2.gz HSAWLGNBFTYUPE-UHFFFAOYSA-N 0 3 352.439 -0.392 20 0 FBADHN O=C(CN1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1)N1CCCC1 ZINC000373436921 484204235 /nfs/dbraw/zinc/20/42/35/484204235.db2.gz XTQYQXHXCWRYEL-UHFFFAOYSA-N 0 3 360.462 -0.128 20 0 FBADHN CN(C)CCN1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)CC1 ZINC000373455869 484206683 /nfs/dbraw/zinc/20/66/83/484206683.db2.gz XIPHULZNQOXPEG-UHFFFAOYSA-N 0 3 361.494 -0.171 20 0 FBADHN CN(CCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000373485506 484208220 /nfs/dbraw/zinc/20/82/20/484208220.db2.gz ZWIYFWZXBNVBJI-INIZCTEOSA-N 0 3 352.435 -0.188 20 0 FBADHN CN(CCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000373485514 484208054 /nfs/dbraw/zinc/20/80/54/484208054.db2.gz ZWIYFWZXBNVBJI-MRXNPFEDSA-N 0 3 352.435 -0.188 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000373489794 484208287 /nfs/dbraw/zinc/20/82/87/484208287.db2.gz MQLJJYWGQXLESD-CYBMUJFWSA-N 0 3 372.491 -0.488 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000373489796 484207995 /nfs/dbraw/zinc/20/79/95/484207995.db2.gz MQLJJYWGQXLESD-ZDUSSCGKSA-N 0 3 372.491 -0.488 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NCC3(S(C)(=O)=O)CC3)CC2)C1 ZINC000373491679 484208183 /nfs/dbraw/zinc/20/81/83/484208183.db2.gz XDUCAZOGBXQJBS-AWEZNQCLSA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NCC3(S(C)(=O)=O)CC3)CC2)C1 ZINC000373491680 484207321 /nfs/dbraw/zinc/20/73/21/484207321.db2.gz XDUCAZOGBXQJBS-CQSZACIVSA-N 0 3 358.508 -0.015 20 0 FBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCNC(C)(C)C1 ZINC000373500888 484207501 /nfs/dbraw/zinc/20/75/01/484207501.db2.gz GHWRAQYSHHVCTL-INIZCTEOSA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCNC(C)(C)C1 ZINC000373500890 484208159 /nfs/dbraw/zinc/20/81/59/484208159.db2.gz GHWRAQYSHHVCTL-MRXNPFEDSA-N 0 3 352.435 -0.188 20 0 FBADHN CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)nc1 ZINC000373503389 484207520 /nfs/dbraw/zinc/20/75/20/484207520.db2.gz SAAPJRNYPBZNHW-CABCVRRESA-N 0 3 361.446 -0.175 20 0 FBADHN CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C(N)=O)O3)CC2)nc1 ZINC000373503390 484208091 /nfs/dbraw/zinc/20/80/91/484208091.db2.gz SAAPJRNYPBZNHW-GJZGRUSLSA-N 0 3 361.446 -0.175 20 0 FBADHN CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C(N)=O)O3)CC2)nc1 ZINC000373503391 484207395 /nfs/dbraw/zinc/20/73/95/484207395.db2.gz SAAPJRNYPBZNHW-HUUCEWRRSA-N 0 3 361.446 -0.175 20 0 FBADHN CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)nc1 ZINC000373503392 484207448 /nfs/dbraw/zinc/20/74/48/484207448.db2.gz SAAPJRNYPBZNHW-LSDHHAIUSA-N 0 3 361.446 -0.175 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(S(=O)(=O)CCN2CCCC2)CC1 ZINC000373519833 484208829 /nfs/dbraw/zinc/20/88/29/484208829.db2.gz GSYICNQXILFHOH-HNNXBMFYSA-N 0 3 358.508 -0.174 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(S(=O)(=O)CCN2CCCC2)CC1 ZINC000373519835 484208877 /nfs/dbraw/zinc/20/88/77/484208877.db2.gz GSYICNQXILFHOH-OAHLLOKOSA-N 0 3 358.508 -0.174 20 0 FBADHN CN1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCCN(C)CC3)O2)CC1 ZINC000373520552 484209681 /nfs/dbraw/zinc/20/96/81/484209681.db2.gz HRCZNFCSKDYSNZ-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN CN1CCCN(C(=O)[C@H]2CC[C@H](C(=O)N3CCCN(C)CC3)O2)CC1 ZINC000373520553 484209755 /nfs/dbraw/zinc/20/97/55/484209755.db2.gz HRCZNFCSKDYSNZ-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN CN1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCCN(C)CC3)O2)CC1 ZINC000373520554 484209950 /nfs/dbraw/zinc/20/99/50/484209950.db2.gz HRCZNFCSKDYSNZ-IYBDPMFKSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CN1C(=O)CN(C)C1=O ZINC000373558148 484211477 /nfs/dbraw/zinc/21/14/77/484211477.db2.gz YURBTOBZSKVSRA-IBGZPJMESA-N 0 3 374.441 -0.024 20 0 FBADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CN1C(=O)CN(C)C1=O ZINC000373558149 484211445 /nfs/dbraw/zinc/21/14/45/484211445.db2.gz YURBTOBZSKVSRA-LJQANCHMSA-N 0 3 374.441 -0.024 20 0 FBADHN COC(=O)[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000373567097 484212901 /nfs/dbraw/zinc/21/29/01/484212901.db2.gz HEMNNKUANMBDJA-AWEZNQCLSA-N 0 3 373.413 -0.173 20 0 FBADHN COC(=O)[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000373567098 484212533 /nfs/dbraw/zinc/21/25/33/484212533.db2.gz HEMNNKUANMBDJA-CQSZACIVSA-N 0 3 373.413 -0.173 20 0 FBADHN COCC(C)(C(=O)N1CCCN(C)CC1)C(=O)N1CCCN(C)CC1 ZINC000373584251 484212882 /nfs/dbraw/zinc/21/28/82/484212882.db2.gz SJHHWMYYTGLKCT-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC1=O ZINC000373625614 484214817 /nfs/dbraw/zinc/21/48/17/484214817.db2.gz YPHHVAVEFYZIEB-CAOSSQGBSA-N 0 3 355.479 -0.091 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC1=O ZINC000373625628 484214519 /nfs/dbraw/zinc/21/45/19/484214519.db2.gz YPHHVAVEFYZIEB-KLHDSHLOSA-N 0 3 355.479 -0.091 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C[C@H](C)O)[C@H](C)CO)CC1=O ZINC000373625630 484214349 /nfs/dbraw/zinc/21/43/49/484214349.db2.gz YPHHVAVEFYZIEB-QKPAOTATSA-N 0 3 355.479 -0.091 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1=O ZINC000373625632 484214301 /nfs/dbraw/zinc/21/43/01/484214301.db2.gz YPHHVAVEFYZIEB-ZJIFWQFVSA-N 0 3 355.479 -0.091 20 0 FBADHN CNS(=O)(=O)CCNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000373662499 484216140 /nfs/dbraw/zinc/21/61/40/484216140.db2.gz GQVJLJPGIWBKDR-CYBMUJFWSA-N 0 3 361.512 -0.655 20 0 FBADHN CNS(=O)(=O)CCNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000373662500 484216029 /nfs/dbraw/zinc/21/60/29/484216029.db2.gz GQVJLJPGIWBKDR-ZDUSSCGKSA-N 0 3 361.512 -0.655 20 0 FBADHN CNS(=O)(=O)CCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000373663239 484215406 /nfs/dbraw/zinc/21/54/06/484215406.db2.gz PRCYOFLXULJRSN-AWEZNQCLSA-N 0 3 361.512 -0.653 20 0 FBADHN CNS(=O)(=O)CCNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000373663240 484216158 /nfs/dbraw/zinc/21/61/58/484216158.db2.gz PRCYOFLXULJRSN-CQSZACIVSA-N 0 3 361.512 -0.653 20 0 FBADHN CN(C)CCN1CCC(NC(=O)N2CCn3c(nn(C)c3=O)C2)CC1 ZINC000373679517 484217232 /nfs/dbraw/zinc/21/72/32/484217232.db2.gz IUVRXIVCQYUGJZ-UHFFFAOYSA-N 0 3 351.455 -0.867 20 0 FBADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000373684207 484219377 /nfs/dbraw/zinc/21/93/77/484219377.db2.gz XVHNRDGBKKTPEH-CYBMUJFWSA-N 0 3 362.434 -0.346 20 0 FBADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000373684208 484219033 /nfs/dbraw/zinc/21/90/33/484219033.db2.gz XVHNRDGBKKTPEH-ZDUSSCGKSA-N 0 3 362.434 -0.346 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCCN(CC(C)C)CC2)cn1 ZINC000373689909 484219297 /nfs/dbraw/zinc/21/92/97/484219297.db2.gz MIIPSZADNVQTGS-UHFFFAOYSA-N 0 3 364.450 -0.242 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000373721552 484274785 /nfs/dbraw/zinc/27/47/85/484274785.db2.gz UWUXXWUBNIBWGX-VXGBXAGGSA-N 0 3 351.407 -0.349 20 0 FBADHN CC(=O)N1CC(C(=O)NCc2c(C)nn(C)c2N2CCCN(C)CC2)C1 ZINC000373750946 484223252 /nfs/dbraw/zinc/22/32/52/484223252.db2.gz LYDYCRVZRONVAE-UHFFFAOYSA-N 0 3 362.478 -0.035 20 0 FBADHN CCOC(=O)CCCNC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000373794595 484226602 /nfs/dbraw/zinc/22/66/02/484226602.db2.gz AGQNKKKEBDUASN-SUMWQHHRSA-N 0 3 356.419 -0.043 20 0 FBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(CC2(O)CCOCC2)C1 ZINC000373798953 483934692 /nfs/dbraw/zinc/93/46/92/483934692.db2.gz GVSGQGZQYYFPGC-AWEZNQCLSA-N 0 3 350.481 -0.100 20 0 FBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC2(O)CCOCC2)C1 ZINC000373798957 483934468 /nfs/dbraw/zinc/93/44/68/483934468.db2.gz GVSGQGZQYYFPGC-CQSZACIVSA-N 0 3 350.481 -0.100 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C2=C(C)N(C)c3nnnn3C2)CC1 ZINC000373834616 484227415 /nfs/dbraw/zinc/22/74/15/484227415.db2.gz FUMCIOVKRXMXKY-CYBMUJFWSA-N 0 3 362.482 -0.213 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C2=C(C)N(C)c3nnnn3C2)CC1 ZINC000373834620 484227598 /nfs/dbraw/zinc/22/75/98/484227598.db2.gz 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CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000374095921 484242375 /nfs/dbraw/zinc/24/23/75/484242375.db2.gz GKKBGXZWEWHUPJ-CQSZACIVSA-N 0 3 374.507 -0.483 20 0 FBADHN CN(C)CC1(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 ZINC000374112409 484241704 /nfs/dbraw/zinc/24/17/04/484241704.db2.gz HBKDIZRTJFGTLC-HNNXBMFYSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)CC1(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 ZINC000374112413 484242011 /nfs/dbraw/zinc/24/20/11/484242011.db2.gz HBKDIZRTJFGTLC-OAHLLOKOSA-N 0 3 352.479 -0.232 20 0 FBADHN CO[C@H]1CCCC[C@@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000374136461 484244465 /nfs/dbraw/zinc/24/44/65/484244465.db2.gz IPSIICLVMQHZPJ-JYJNAYRXSA-N 0 3 373.519 -0.135 20 0 FBADHN CO[C@H]1CCCC[C@@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000374136464 484243373 /nfs/dbraw/zinc/24/33/73/484243373.db2.gz IPSIICLVMQHZPJ-PMPSAXMXSA-N 0 3 373.519 -0.135 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000374136938 484243829 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FBADHN CCN1CCN(C(=O)[C@H](C)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000374201838 484248516 /nfs/dbraw/zinc/24/85/16/484248516.db2.gz LTWXTAWKUDYSQY-SCLBCKFNSA-N 0 3 365.478 -0.151 20 0 FBADHN CCN1CCN(C(=O)[C@H](C)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000374201839 484248106 /nfs/dbraw/zinc/24/81/06/484248106.db2.gz LTWXTAWKUDYSQY-UGSOOPFHSA-N 0 3 365.478 -0.151 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000374207891 484249883 /nfs/dbraw/zinc/24/98/83/484249883.db2.gz XXNHLGCDGQDHMZ-HNNXBMFYSA-N 0 3 360.462 -0.156 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000374207893 484249661 /nfs/dbraw/zinc/24/96/61/484249661.db2.gz XXNHLGCDGQDHMZ-OAHLLOKOSA-N 0 3 360.462 -0.156 20 0 FBADHN CCN(C(=O)[C@H](C)NC[C@H]1CN(C2CC2)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000374229658 484251519 /nfs/dbraw/zinc/25/15/19/484251519.db2.gz MOKDPZPJFLOEHN-BPUTZDHNSA-N 0 3 373.519 -0.137 20 0 FBADHN CCN(C(=O)[C@H](C)NC[C@@H]1CN(C2CC2)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000374229661 484251333 /nfs/dbraw/zinc/25/13/33/484251333.db2.gz MOKDPZPJFLOEHN-CWRNSKLLSA-N 0 3 373.519 -0.137 20 0 FBADHN CCN(C(=O)[C@H](C)NC[C@H]1CN(C2CC2)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000374229663 484250899 /nfs/dbraw/zinc/25/08/99/484250899.db2.gz MOKDPZPJFLOEHN-IMJJTQAJSA-N 0 3 373.519 -0.137 20 0 FBADHN CCN(C(=O)[C@H](C)NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000374229665 484251316 /nfs/dbraw/zinc/25/13/16/484251316.db2.gz MOKDPZPJFLOEHN-NUEKZKHPSA-N 0 3 373.519 -0.137 20 0 FBADHN CN1CCN(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000374236862 484250860 /nfs/dbraw/zinc/25/08/60/484250860.db2.gz GQIVATWHSIPDSI-UHFFFAOYSA-N 0 3 365.478 -0.007 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000374254134 484252768 /nfs/dbraw/zinc/25/27/68/484252768.db2.gz LAWKUPGFIRZMSB-AWEZNQCLSA-N 0 3 360.524 -0.105 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000374254135 484252398 /nfs/dbraw/zinc/25/23/98/484252398.db2.gz LAWKUPGFIRZMSB-CQSZACIVSA-N 0 3 360.524 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/nfs/dbraw/zinc/25/30/20/484253020.db2.gz XFPNUSOTPARALJ-ZIAGYGMSSA-N 0 3 358.508 -0.017 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000374286071 484252578 /nfs/dbraw/zinc/25/25/78/484252578.db2.gz DYFYLBAZDYKZBI-CVEARBPZSA-N 0 3 372.535 -0.104 20 0 FBADHN C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000374286078 484252556 /nfs/dbraw/zinc/25/25/56/484252556.db2.gz DYFYLBAZDYKZBI-HOTGVXAUSA-N 0 3 372.535 -0.104 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000374286079 484252932 /nfs/dbraw/zinc/25/29/32/484252932.db2.gz DYFYLBAZDYKZBI-HZPDHXFCSA-N 0 3 372.535 -0.104 20 0 FBADHN C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000374286080 484253169 /nfs/dbraw/zinc/25/31/69/484253169.db2.gz DYFYLBAZDYKZBI-JKSUJKDBSA-N 0 3 372.535 -0.104 20 0 FBADHN CN1C[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H](c2ccccc2)C1 ZINC000374292267 484254970 /nfs/dbraw/zinc/25/49/70/484254970.db2.gz CAQQAVJGMHSDPL-CABCVRRESA-N 0 3 363.443 -0.256 20 0 FBADHN CN1C[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H](c2ccccc2)C1 ZINC000374292269 484254760 /nfs/dbraw/zinc/25/47/60/484254760.db2.gz CAQQAVJGMHSDPL-GJZGRUSLSA-N 0 3 363.443 -0.256 20 0 FBADHN CN1C[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H](c2ccccc2)C1 ZINC000374292271 484254725 /nfs/dbraw/zinc/25/47/25/484254725.db2.gz CAQQAVJGMHSDPL-HUUCEWRRSA-N 0 3 363.443 -0.256 20 0 FBADHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000374292273 484254147 /nfs/dbraw/zinc/25/41/47/484254147.db2.gz CAQQAVJGMHSDPL-LSDHHAIUSA-N 0 3 363.443 -0.256 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCCC12CCN(C)CC2 ZINC000374292553 484254320 /nfs/dbraw/zinc/25/43/20/484254320.db2.gz DSPBTZWRFWLMEN-UHFFFAOYSA-N 0 3 353.510 -0.184 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCCC23CCN(C)CC3)c(=O)n(C)c1=O ZINC000374294802 484253846 /nfs/dbraw/zinc/25/38/46/484253846.db2.gz LIIZQADPFMNURU-UHFFFAOYSA-N 0 3 356.448 -0.667 20 0 FBADHN C[C@H]1CN(C(=O)NCCN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000374295884 484254442 /nfs/dbraw/zinc/25/44/42/484254442.db2.gz NQUSOOISEVVIGZ-DLBZAZTESA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@@H]1CN(C(=O)NCCN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000374295885 484254298 /nfs/dbraw/zinc/25/42/98/484254298.db2.gz NQUSOOISEVVIGZ-IAGOWNOFSA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@H]1CN(C(=O)NCCN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000374295886 484253866 /nfs/dbraw/zinc/25/38/66/484253866.db2.gz NQUSOOISEVVIGZ-IRXDYDNUSA-N 0 3 353.511 -0.014 20 0 FBADHN C[C@@H]1CN(C(=O)NCCN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000374295887 484254934 /nfs/dbraw/zinc/25/49/34/484254934.db2.gz NQUSOOISEVVIGZ-SJORKVTESA-N 0 3 353.511 -0.014 20 0 FBADHN COCCN1C[C@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC1=O ZINC000374316264 484254337 /nfs/dbraw/zinc/25/43/37/484254337.db2.gz HSGSBMQZXWUMCG-BBWFWOEESA-N 0 3 366.506 -0.034 20 0 FBADHN COCCN1C[C@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC1=O ZINC000374316283 484254677 /nfs/dbraw/zinc/25/46/77/484254677.db2.gz HSGSBMQZXWUMCG-BRWVUGGUSA-N 0 3 366.506 -0.034 20 0 FBADHN COCCN1C[C@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CC1=O ZINC000374316284 484253985 /nfs/dbraw/zinc/25/39/85/484253985.db2.gz HSGSBMQZXWUMCG-GVDBMIGSSA-N 0 3 366.506 -0.034 20 0 FBADHN COCCN1C[C@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC1=O ZINC000374316285 484254946 /nfs/dbraw/zinc/25/49/46/484254946.db2.gz HSGSBMQZXWUMCG-ZACQAIPSSA-N 0 3 366.506 -0.034 20 0 FBADHN Cn1cc(S(=O)(=O)NCC(=O)N2CCCC23CCN(C)CC3)cn1 ZINC000374325262 484253884 /nfs/dbraw/zinc/25/38/84/484253884.db2.gz OPZQIOKBGCISEX-UHFFFAOYSA-N 0 3 355.464 -0.215 20 0 FBADHN COC(=O)CNC(=O)CCN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000374361266 484256546 /nfs/dbraw/zinc/25/65/46/484256546.db2.gz AIUIIOLVUQPDQK-UHFFFAOYSA-N 0 3 361.464 -0.444 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000374365368 484256509 /nfs/dbraw/zinc/25/65/09/484256509.db2.gz REPZFSROEFUICH-AWEZNQCLSA-N 0 3 369.491 -0.111 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000374365369 484256424 /nfs/dbraw/zinc/25/64/24/484256424.db2.gz REPZFSROEFUICH-CQSZACIVSA-N 0 3 369.491 -0.111 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000374399099 484257975 /nfs/dbraw/zinc/25/79/75/484257975.db2.gz ABEOAMVOQNYASH-KFWWJZLASA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1=O ZINC000374399102 484257173 /nfs/dbraw/zinc/25/71/73/484257173.db2.gz ABEOAMVOQNYASH-RBSFLKMASA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1=O ZINC000374399103 484256963 /nfs/dbraw/zinc/25/69/63/484256963.db2.gz ABEOAMVOQNYASH-RRFJBIMHSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000374399106 484257318 /nfs/dbraw/zinc/25/73/18/484257318.db2.gz ABEOAMVOQNYASH-ZNMIVQPWSA-N 0 3 371.503 -0.035 20 0 FBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000374414020 484259644 /nfs/dbraw/zinc/25/96/44/484259644.db2.gz FTPYUJDULZCODR-HNNXBMFYSA-N 0 3 359.430 -0.509 20 0 FBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000374414021 484259372 /nfs/dbraw/zinc/25/93/72/484259372.db2.gz FTPYUJDULZCODR-OAHLLOKOSA-N 0 3 359.430 -0.509 20 0 FBADHN CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000374442331 484259866 /nfs/dbraw/zinc/25/98/66/484259866.db2.gz GBJNJRULPIPWRB-BFHYXJOUSA-N 0 3 353.467 -0.166 20 0 FBADHN CC[C@H](C)[C@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000374442332 484259238 /nfs/dbraw/zinc/25/92/38/484259238.db2.gz GBJNJRULPIPWRB-IHRRRGAJSA-N 0 3 353.467 -0.166 20 0 FBADHN CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000374442333 484259017 /nfs/dbraw/zinc/25/90/17/484259017.db2.gz GBJNJRULPIPWRB-MELADBBJSA-N 0 3 353.467 -0.166 20 0 FBADHN CC[C@H](C)[C@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000374442334 484259257 /nfs/dbraw/zinc/25/92/57/484259257.db2.gz GBJNJRULPIPWRB-MJBXVCDLSA-N 0 3 353.467 -0.166 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000374467351 484282119 /nfs/dbraw/zinc/28/21/19/484282119.db2.gz QGBMVBWOISMSJP-SJKOYZFVSA-N 0 3 365.434 0.041 20 0 FBADHN C[C@@H](CC(=O)N(C)C)N[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000374487176 484262625 /nfs/dbraw/zinc/26/26/25/484262625.db2.gz JNZCXHWKMLTTPV-KBPBESRZSA-N 0 3 362.496 -0.516 20 0 FBADHN C[C@H](CC(=O)N(C)C)N[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000374487177 484262050 /nfs/dbraw/zinc/26/20/50/484262050.db2.gz JNZCXHWKMLTTPV-KGLIPLIRSA-N 0 3 362.496 -0.516 20 0 FBADHN C[C@@H](CC(=O)N(C)C)N[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000374487178 484262104 /nfs/dbraw/zinc/26/21/04/484262104.db2.gz JNZCXHWKMLTTPV-UONOGXRCSA-N 0 3 362.496 -0.516 20 0 FBADHN C[C@H](CC(=O)N(C)C)N[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000374487179 484262920 /nfs/dbraw/zinc/26/29/20/484262920.db2.gz JNZCXHWKMLTTPV-ZIAGYGMSSA-N 0 3 362.496 -0.516 20 0 FBADHN NC(=O)c1cc(OC2CCN(C[C@H](O)CN3CCOCC3)CC2)ccn1 ZINC000374495190 484262555 /nfs/dbraw/zinc/26/25/55/484262555.db2.gz HOQWOTZPDPAULP-AWEZNQCLSA-N 0 3 364.446 -0.283 20 0 FBADHN NC(=O)c1cc(OC2CCN(C[C@@H](O)CN3CCOCC3)CC2)ccn1 ZINC000374495191 484262769 /nfs/dbraw/zinc/26/27/69/484262769.db2.gz HOQWOTZPDPAULP-CQSZACIVSA-N 0 3 364.446 -0.283 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CC(=O)N(CCOC)C2)CC1=O ZINC000374550484 484266257 /nfs/dbraw/zinc/26/62/57/484266257.db2.gz IPRDEISOPIRLLT-CABCVRRESA-N 0 3 366.462 -0.406 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CC(=O)N(CCOC)C2)CC1=O ZINC000374550485 484265944 /nfs/dbraw/zinc/26/59/44/484265944.db2.gz IPRDEISOPIRLLT-GJZGRUSLSA-N 0 3 366.462 -0.406 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC(=O)N(CCOC)C2)CC1=O ZINC000374550486 484266385 /nfs/dbraw/zinc/26/63/85/484266385.db2.gz IPRDEISOPIRLLT-HUUCEWRRSA-N 0 3 366.462 -0.406 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC(=O)N(CCOC)C2)CC1=O ZINC000374550487 484265193 /nfs/dbraw/zinc/26/51/93/484265193.db2.gz IPRDEISOPIRLLT-LSDHHAIUSA-N 0 3 366.462 -0.406 20 0 FBADHN COC(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000374590939 484267354 /nfs/dbraw/zinc/26/73/54/484267354.db2.gz ZCCLGGNUUQAQEL-CYBMUJFWSA-N 0 3 361.464 -0.492 20 0 FBADHN COC(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000374590940 484268088 /nfs/dbraw/zinc/26/80/88/484268088.db2.gz ZCCLGGNUUQAQEL-ZDUSSCGKSA-N 0 3 361.464 -0.492 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000374594496 484267603 /nfs/dbraw/zinc/26/76/03/484267603.db2.gz QBUYPELYSOYQIM-LLVKDONJSA-N 0 3 354.411 -0.017 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000374594497 484266962 /nfs/dbraw/zinc/26/69/62/484266962.db2.gz QBUYPELYSOYQIM-NSHDSACASA-N 0 3 354.411 -0.017 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374599707 484267097 /nfs/dbraw/zinc/26/70/97/484267097.db2.gz BENSWHWQEKNKPL-BDAKNGLRSA-N 0 3 365.864 -0.121 20 0 FBADHN O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374609568 484267059 /nfs/dbraw/zinc/26/70/59/484267059.db2.gz JGUXFDZLLAICAL-OLZOCXBDSA-N 0 3 357.407 -0.307 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1C ZINC000374611996 484267792 /nfs/dbraw/zinc/26/77/92/484267792.db2.gz LACZGZIAOSSSMA-BFHYXJOUSA-N 0 3 369.491 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1C ZINC000374611997 484267728 /nfs/dbraw/zinc/26/77/28/484267728.db2.gz LACZGZIAOSSSMA-IHRRRGAJSA-N 0 3 369.491 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1C ZINC000374611998 484267781 /nfs/dbraw/zinc/26/77/81/484267781.db2.gz LACZGZIAOSSSMA-MELADBBJSA-N 0 3 369.491 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1C ZINC000374611999 484267272 /nfs/dbraw/zinc/26/72/72/484267272.db2.gz LACZGZIAOSSSMA-MJBXVCDLSA-N 0 3 369.491 -0.017 20 0 FBADHN COCCN(C)CCNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374712347 484270276 /nfs/dbraw/zinc/27/02/76/484270276.db2.gz DFYUQEURXXPICK-UHFFFAOYSA-N 0 3 362.496 -0.226 20 0 FBADHN COCCN1CN(C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1=O ZINC000374736495 484323882 /nfs/dbraw/zinc/32/38/82/484323882.db2.gz NCLSDCCBQORUSJ-UHFFFAOYSA-N 0 3 350.423 0.430 20 0 FBADHN COC(=O)Cn1cc(CCN2CCC(N3CCN(C)CC3=O)CC2)nn1 ZINC000374736843 484273792 /nfs/dbraw/zinc/27/37/92/484273792.db2.gz MMIPXSQGNCKZGX-UHFFFAOYSA-N 0 3 364.450 -0.768 20 0 FBADHN CCN(C)CCNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O ZINC000374743290 484274637 /nfs/dbraw/zinc/27/46/37/484274637.db2.gz MQGCCQSIRDNSKT-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN CCN(C)CCNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000374743291 484273816 /nfs/dbraw/zinc/27/38/16/484273816.db2.gz MQGCCQSIRDNSKT-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN CN1CCN(C2CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)C(=O)C1 ZINC000374743367 484274269 /nfs/dbraw/zinc/27/42/69/484274269.db2.gz MWQGDJBMQDVAQN-UHFFFAOYSA-N 0 3 365.478 -0.055 20 0 FBADHN COCCOCCOCCS(=O)(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000374750920 484275938 /nfs/dbraw/zinc/27/59/38/484275938.db2.gz SDSAGBCLOXTTAR-AWEZNQCLSA-N 0 3 354.469 -0.742 20 0 FBADHN COCCOCCOCCS(=O)(=O)N1CCO[C@H](CN(C)C)C1 ZINC000374750925 484275622 /nfs/dbraw/zinc/27/56/22/484275622.db2.gz SDSAGBCLOXTTAR-CQSZACIVSA-N 0 3 354.469 -0.742 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)NC2CCN(CCN(C)C)CC2)C[C@@H](C)O1 ZINC000374763740 484275866 /nfs/dbraw/zinc/27/58/66/484275866.db2.gz GMGXWWNTLXTGQW-UKRRQHHQSA-N 0 3 356.467 -0.016 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@@H](C)O1 ZINC000374765470 484275287 /nfs/dbraw/zinc/27/52/87/484275287.db2.gz SUUHDDLYSBNEGL-RBSFLKMASA-N 0 3 356.467 -0.158 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@@H](C)O1 ZINC000374765472 484275356 /nfs/dbraw/zinc/27/53/56/484275356.db2.gz SUUHDDLYSBNEGL-RRFJBIMHSA-N 0 3 356.467 -0.158 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000374769901 484276443 /nfs/dbraw/zinc/27/64/43/484276443.db2.gz YDMXVUBJXLRKEX-UHFFFAOYSA-N 0 3 369.510 -0.097 20 0 FBADHN CN1CCN(C(=O)CCN2CCN(C3(C(N)=O)CCCC3)CC2)CC1 ZINC000374782203 661632508 /nfs/dbraw/zinc/63/25/08/661632508.db2.gz UMXKWVXWOICSTD-UHFFFAOYSA-N 0 3 351.495 -0.434 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC(=O)NCC(F)(F)F)CC1 ZINC000374787364 661632503 /nfs/dbraw/zinc/63/25/03/661632503.db2.gz GSKKRNCJAVNEFO-LLVKDONJSA-N 0 3 364.368 -0.180 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC(=O)NCC(F)(F)F)CC1 ZINC000374787365 661632705 /nfs/dbraw/zinc/63/27/05/661632705.db2.gz GSKKRNCJAVNEFO-NSHDSACASA-N 0 3 364.368 -0.180 20 0 FBADHN COC(=O)c1cn([C@@H]2CCCN(C[C@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000374792310 661632466 /nfs/dbraw/zinc/63/24/66/661632466.db2.gz IAHPRYQJMIFGRL-CHWSQXEVSA-N 0 3 371.463 -0.017 20 0 FBADHN COC(=O)c1cn([C@H]2CCCN(C[C@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000374792314 661632543 /nfs/dbraw/zinc/63/25/43/661632543.db2.gz IAHPRYQJMIFGRL-OLZOCXBDSA-N 0 3 371.463 -0.017 20 0 FBADHN COC(=O)c1cn([C@@H]2CCCN(C[C@@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000374792316 661632657 /nfs/dbraw/zinc/63/26/57/661632657.db2.gz IAHPRYQJMIFGRL-QWHCGFSZSA-N 0 3 371.463 -0.017 20 0 FBADHN COC(=O)c1cn([C@H]2CCCN(C[C@@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000374792320 661632665 /nfs/dbraw/zinc/63/26/65/661632665.db2.gz IAHPRYQJMIFGRL-STQMWFEESA-N 0 3 371.463 -0.017 20 0 FBADHN C[C@@H](O)c1cn(C2CN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000374802842 661632957 /nfs/dbraw/zinc/63/29/57/661632957.db2.gz SDCNNAFQFFROJI-NEPJUHHUSA-N 0 3 350.423 -0.875 20 0 FBADHN C[C@H](O)c1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000374802844 661632837 /nfs/dbraw/zinc/63/28/37/661632837.db2.gz SDCNNAFQFFROJI-NWDGAFQWSA-N 0 3 350.423 -0.875 20 0 FBADHN C[C@H](O)c1cn(C2CN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000374802845 661632962 /nfs/dbraw/zinc/63/29/62/661632962.db2.gz SDCNNAFQFFROJI-RYUDHWBXSA-N 0 3 350.423 -0.875 20 0 FBADHN C[C@@H](O)c1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000374802847 661632920 /nfs/dbraw/zinc/63/29/20/661632920.db2.gz SDCNNAFQFFROJI-VXGBXAGGSA-N 0 3 350.423 -0.875 20 0 FBADHN NC(=O)c1cn(C2CN(C(=O)CC3(N4CCOCC4)CCCC3)C2)nn1 ZINC000374838787 484276984 /nfs/dbraw/zinc/27/69/84/484276984.db2.gz LYQDVSCESRCRMV-UHFFFAOYSA-N 0 3 362.434 -0.205 20 0 FBADHN CC(C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)S(C)(=O)=O ZINC000374855351 484432482 /nfs/dbraw/zinc/43/24/82/484432482.db2.gz NRXHWZOZVPDRMS-NEPJUHHUSA-N 0 3 368.477 -0.928 20 0 FBADHN CC(C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)S(C)(=O)=O ZINC000374855357 484432341 /nfs/dbraw/zinc/43/23/41/484432341.db2.gz NRXHWZOZVPDRMS-NWDGAFQWSA-N 0 3 368.477 -0.928 20 0 FBADHN CC(C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)S(C)(=O)=O ZINC000374855359 484432452 /nfs/dbraw/zinc/43/24/52/484432452.db2.gz NRXHWZOZVPDRMS-RYUDHWBXSA-N 0 3 368.477 -0.928 20 0 FBADHN CC(C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)S(C)(=O)=O ZINC000374855361 484432130 /nfs/dbraw/zinc/43/21/30/484432130.db2.gz NRXHWZOZVPDRMS-VXGBXAGGSA-N 0 3 368.477 -0.928 20 0 FBADHN CCN1CCO[C@@H](CN2CCN(CCC(=O)N3CCN(C)CC3)CC2)C1 ZINC000374857545 484279244 /nfs/dbraw/zinc/27/92/44/484279244.db2.gz AXFKNNRWZSLWMQ-GOSISDBHSA-N 0 3 367.538 -0.511 20 0 FBADHN CCN1CCO[C@H](CN2CCN(CCC(=O)N3CCN(C)CC3)CC2)C1 ZINC000374857550 484278747 /nfs/dbraw/zinc/27/87/47/484278747.db2.gz AXFKNNRWZSLWMQ-SFHVURJKSA-N 0 3 367.538 -0.511 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000374858109 484278607 /nfs/dbraw/zinc/27/86/07/484278607.db2.gz PZNCYIGBKGPFCE-UHFFFAOYSA-N 0 3 355.464 -0.215 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000374858109 484278602 /nfs/dbraw/zinc/27/86/02/484278602.db2.gz PZNCYIGBKGPFCE-UHFFFAOYSA-N 0 3 355.464 -0.215 20 0 FBADHN CN1CCN(C(=O)CCN2CCN([C@H]3CCCCNC3=O)CC2)CC1 ZINC000374869789 484278635 /nfs/dbraw/zinc/27/86/35/484278635.db2.gz UKPMXWNNQIWFBJ-INIZCTEOSA-N 0 3 351.495 -0.563 20 0 FBADHN CN1CCN(C(=O)CCN2CCN([C@@H]3CCCCNC3=O)CC2)CC1 ZINC000374869790 484279460 /nfs/dbraw/zinc/27/94/60/484279460.db2.gz UKPMXWNNQIWFBJ-MRXNPFEDSA-N 0 3 351.495 -0.563 20 0 FBADHN Cn1cc(C(=O)NC2CCN(CCC(=O)N3CCN(C)CC3)CC2)cn1 ZINC000374883108 484281219 /nfs/dbraw/zinc/28/12/19/484281219.db2.gz WCWAYNFIDZGWRK-UHFFFAOYSA-N 0 3 362.478 -0.222 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374893763 484280592 /nfs/dbraw/zinc/28/05/92/484280592.db2.gz HBJJBNSXWGTJJU-KBPBESRZSA-N 0 3 374.507 -0.627 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374893764 484281604 /nfs/dbraw/zinc/28/16/04/484281604.db2.gz HBJJBNSXWGTJJU-KGLIPLIRSA-N 0 3 374.507 -0.627 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374893765 484280614 /nfs/dbraw/zinc/28/06/14/484280614.db2.gz HBJJBNSXWGTJJU-UONOGXRCSA-N 0 3 374.507 -0.627 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374893766 484281663 /nfs/dbraw/zinc/28/16/63/484281663.db2.gz HBJJBNSXWGTJJU-ZIAGYGMSSA-N 0 3 374.507 -0.627 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H](c3ccnn3C)C2)n1 ZINC000374898364 484096830 /nfs/dbraw/zinc/09/68/30/484096830.db2.gz RJMSFIPIYMDBDE-AWEZNQCLSA-N 0 3 373.461 0.523 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](c3ccnn3C)C2)n1 ZINC000374898366 484097843 /nfs/dbraw/zinc/09/78/43/484097843.db2.gz RJMSFIPIYMDBDE-CQSZACIVSA-N 0 3 373.461 0.523 20 0 FBADHN CN1CCN(C(=O)CCN2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000374907522 484281286 /nfs/dbraw/zinc/28/12/86/484281286.db2.gz CKJOTMAYYOSYKA-HNNXBMFYSA-N 0 3 358.508 -0.350 20 0 FBADHN CN1CCN(C(=O)CCN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000374907526 484280706 /nfs/dbraw/zinc/28/07/06/484280706.db2.gz CKJOTMAYYOSYKA-OAHLLOKOSA-N 0 3 358.508 -0.350 20 0 FBADHN Cn1c2ncn(CCN[C@]3(CO)CCc4ccccc43)c2c(=O)n(C)c1=O ZINC000374912863 484281619 /nfs/dbraw/zinc/28/16/19/484281619.db2.gz OQZNFDIVRDVXTQ-IBGZPJMESA-N 0 3 369.425 -0.143 20 0 FBADHN Cn1c2ncn(CCN[C@@]3(CO)CCc4ccccc43)c2c(=O)n(C)c1=O ZINC000374912871 484281239 /nfs/dbraw/zinc/28/12/39/484281239.db2.gz OQZNFDIVRDVXTQ-LJQANCHMSA-N 0 3 369.425 -0.143 20 0 FBADHN CN1CCN(C(=O)CCN2CCCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000374915421 484282956 /nfs/dbraw/zinc/28/29/56/484282956.db2.gz QJJQTFVMNJMGGY-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN CN1CCN(C(=O)CCN2CCCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000374915424 484282302 /nfs/dbraw/zinc/28/23/02/484282302.db2.gz QJJQTFVMNJMGGY-MRXNPFEDSA-N 0 3 352.479 -0.136 20 0 FBADHN CN1CCN(C(=O)CCN2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000374918376 484282078 /nfs/dbraw/zinc/28/20/78/484282078.db2.gz TZJITVMKHKHCJM-UHFFFAOYSA-N 0 3 354.495 -0.690 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374920522 484282590 /nfs/dbraw/zinc/28/25/90/484282590.db2.gz WEAHTDMOPCFPMI-OBJOEFQTSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374920523 484282545 /nfs/dbraw/zinc/28/25/45/484282545.db2.gz WEAHTDMOPCFPMI-OUCADQQQSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374920525 484282994 /nfs/dbraw/zinc/28/29/94/484282994.db2.gz WEAHTDMOPCFPMI-SCRDCRAPSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374920527 484282901 /nfs/dbraw/zinc/28/29/01/484282901.db2.gz WEAHTDMOPCFPMI-SGMGOOAPSA-N 0 3 355.464 -0.361 20 0 FBADHN CN1CCN(C2CCN(C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)C(=O)C1 ZINC000374927421 484283204 /nfs/dbraw/zinc/28/32/04/484283204.db2.gz JGYYECFCPZEETQ-AWEZNQCLSA-N 0 3 358.508 -0.494 20 0 FBADHN CN1CCN(C2CCN(C[C@H]3CCN(S(C)(=O)=O)C3)CC2)C(=O)C1 ZINC000374927423 484283439 /nfs/dbraw/zinc/28/34/39/484283439.db2.gz JGYYECFCPZEETQ-CQSZACIVSA-N 0 3 358.508 -0.494 20 0 FBADHN CN1CCN(C(=O)CCN2CCC(N3CCN(C)CC3=O)CC2)CC1 ZINC000374934333 484282876 /nfs/dbraw/zinc/28/28/76/484282876.db2.gz XGXRCMLOSBVOCH-UHFFFAOYSA-N 0 3 351.495 -0.611 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)n1 ZINC000374939768 484101423 /nfs/dbraw/zinc/10/14/23/484101423.db2.gz AZIATDLOMALNIM-CHWSQXEVSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)n1 ZINC000374939771 484101926 /nfs/dbraw/zinc/10/19/26/484101926.db2.gz AZIATDLOMALNIM-OLZOCXBDSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)n1 ZINC000374939772 484103642 /nfs/dbraw/zinc/10/36/42/484103642.db2.gz AZIATDLOMALNIM-QWHCGFSZSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)n1 ZINC000374939775 484103044 /nfs/dbraw/zinc/10/30/44/484103044.db2.gz AZIATDLOMALNIM-STQMWFEESA-N 0 3 362.434 -0.347 20 0 FBADHN Nc1nc(-n2cccn2)cc(N2CCC(O)(CN3CCOCC3)CC2)n1 ZINC000374952947 484548720 /nfs/dbraw/zinc/54/87/20/484548720.db2.gz XQULXGNPORUHDQ-UHFFFAOYSA-N 0 3 359.434 -0.092 20 0 FBADHN CC1(C)NC(=O)N(CCCN2CCC(O)(CN3CCOCC3)CC2)C1=O ZINC000374995155 484284673 /nfs/dbraw/zinc/28/46/73/484284673.db2.gz BZGGXYQFIUWJGQ-UHFFFAOYSA-N 0 3 368.478 -0.134 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(O)(CN2CCOCC2)CC1 ZINC000374998763 484286734 /nfs/dbraw/zinc/28/67/34/484286734.db2.gz OIMMDZAKTHIXQJ-AWEZNQCLSA-N 0 3 356.467 -0.232 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC(O)(CN2CCOCC2)CC1 ZINC000374998764 484286914 /nfs/dbraw/zinc/28/69/14/484286914.db2.gz OIMMDZAKTHIXQJ-CQSZACIVSA-N 0 3 356.467 -0.232 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C[C@H]21 ZINC000375035215 484286795 /nfs/dbraw/zinc/28/67/95/484286795.db2.gz BRTKFVSOUMHUPX-BRWVUGGUSA-N 0 3 364.490 -0.280 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C[C@@H]21 ZINC000375035216 484285896 /nfs/dbraw/zinc/28/58/96/484285896.db2.gz BRTKFVSOUMHUPX-IKGGRYGDSA-N 0 3 364.490 -0.280 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C[C@H]21 ZINC000375035217 484286294 /nfs/dbraw/zinc/28/62/94/484286294.db2.gz BRTKFVSOUMHUPX-IXDOHACOSA-N 0 3 364.490 -0.280 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C[C@@H]21 ZINC000375035218 484285724 /nfs/dbraw/zinc/28/57/24/484285724.db2.gz BRTKFVSOUMHUPX-ZACQAIPSSA-N 0 3 364.490 -0.280 20 0 FBADHN COCCn1c(N)c(C(=O)CN2CC[C@H]3CCN(C)[C@H]3C2)c(=O)[nH]c1=O ZINC000375038605 484286044 /nfs/dbraw/zinc/28/60/44/484286044.db2.gz LPPYUPVZXUDXFI-NEPJUHHUSA-N 0 3 365.434 -0.614 20 0 FBADHN COCCn1c(N)c(C(=O)CN2CC[C@@H]3CCN(C)[C@@H]3C2)c(=O)[nH]c1=O ZINC000375038612 484285997 /nfs/dbraw/zinc/28/59/97/484285997.db2.gz LPPYUPVZXUDXFI-NWDGAFQWSA-N 0 3 365.434 -0.614 20 0 FBADHN COCCn1c(N)c(C(=O)CN2CC[C@@H]3CCN(C)[C@H]3C2)c(=O)[nH]c1=O ZINC000375038613 484286563 /nfs/dbraw/zinc/28/65/63/484286563.db2.gz LPPYUPVZXUDXFI-RYUDHWBXSA-N 0 3 365.434 -0.614 20 0 FBADHN COCCn1c(N)c(C(=O)CN2CC[C@H]3CCN(C)[C@@H]3C2)c(=O)[nH]c1=O ZINC000375038618 484286935 /nfs/dbraw/zinc/28/69/35/484286935.db2.gz LPPYUPVZXUDXFI-VXGBXAGGSA-N 0 3 365.434 -0.614 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@H]21 ZINC000375039556 484285972 /nfs/dbraw/zinc/28/59/72/484285972.db2.gz NMFLOTBFUIIZSJ-CHWSQXEVSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 ZINC000375039561 484285806 /nfs/dbraw/zinc/28/58/06/484285806.db2.gz NMFLOTBFUIIZSJ-OLZOCXBDSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@H]21 ZINC000375039564 484286522 /nfs/dbraw/zinc/28/65/22/484286522.db2.gz NMFLOTBFUIIZSJ-QWHCGFSZSA-N 0 3 374.445 -0.624 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 ZINC000375039566 484286496 /nfs/dbraw/zinc/28/64/96/484286496.db2.gz NMFLOTBFUIIZSJ-STQMWFEESA-N 0 3 374.445 -0.624 20 0 FBADHN C[C@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCN1S(C)(=O)=O ZINC000375046776 484285610 /nfs/dbraw/zinc/28/56/10/484285610.db2.gz AKUODIFZUWSHJF-BFHYXJOUSA-N 0 3 360.480 -0.475 20 0 FBADHN C[C@H]1CN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCN1S(C)(=O)=O ZINC000375046782 484285526 /nfs/dbraw/zinc/28/55/26/484285526.db2.gz AKUODIFZUWSHJF-IHRRRGAJSA-N 0 3 360.480 -0.475 20 0 FBADHN C[C@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCN1S(C)(=O)=O ZINC000375046784 484286323 /nfs/dbraw/zinc/28/63/23/484286323.db2.gz AKUODIFZUWSHJF-MELADBBJSA-N 0 3 360.480 -0.475 20 0 FBADHN C[C@H]1CN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCN1S(C)(=O)=O ZINC000375046785 484286891 /nfs/dbraw/zinc/28/68/91/484286891.db2.gz AKUODIFZUWSHJF-MJBXVCDLSA-N 0 3 360.480 -0.475 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000375064070 484288126 /nfs/dbraw/zinc/28/81/26/484288126.db2.gz HIHSBNUFMAFQCT-BXUZGUMPSA-N 0 3 366.443 -0.175 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000375064072 484288107 /nfs/dbraw/zinc/28/81/07/484288107.db2.gz HIHSBNUFMAFQCT-FZMZJTMJSA-N 0 3 366.443 -0.175 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000375064074 484288012 /nfs/dbraw/zinc/28/80/12/484288012.db2.gz HIHSBNUFMAFQCT-RISCZKNCSA-N 0 3 366.443 -0.175 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000375064075 484288289 /nfs/dbraw/zinc/28/82/89/484288289.db2.gz 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COCCN(CCOC)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000375114520 484289301 /nfs/dbraw/zinc/28/93/01/484289301.db2.gz QMCJMWZBSNTSSN-HNNXBMFYSA-N 0 3 356.467 -0.060 20 0 FBADHN COCCN(CCOC)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000375114521 484290202 /nfs/dbraw/zinc/29/02/02/484290202.db2.gz QMCJMWZBSNTSSN-OAHLLOKOSA-N 0 3 356.467 -0.060 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nn1 ZINC000375173820 484293052 /nfs/dbraw/zinc/29/30/52/484293052.db2.gz KWPIRMNNFUPXCN-NEPJUHHUSA-N 0 3 352.395 -0.773 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nn1 ZINC000375173821 484292830 /nfs/dbraw/zinc/29/28/30/484292830.db2.gz KWPIRMNNFUPXCN-NWDGAFQWSA-N 0 3 352.395 -0.773 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)nn1 ZINC000375173822 484293945 /nfs/dbraw/zinc/29/39/45/484293945.db2.gz KWPIRMNNFUPXCN-RYUDHWBXSA-N 0 3 352.395 -0.773 20 0 FBADHN COC(=O)c1cn(CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nn1 ZINC000375173823 484293884 /nfs/dbraw/zinc/29/38/84/484293884.db2.gz 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/nfs/dbraw/zinc/29/31/84/484293184.db2.gz QZQNVIPNCSVOOZ-INIZCTEOSA-N 0 3 351.495 -0.118 20 0 FBADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCN2CCC1CC2 ZINC000375207733 484293571 /nfs/dbraw/zinc/29/35/71/484293571.db2.gz QZQNVIPNCSVOOZ-MRXNPFEDSA-N 0 3 351.495 -0.118 20 0 FBADHN COCCN(C)CCNC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000375209543 484295193 /nfs/dbraw/zinc/29/51/93/484295193.db2.gz GCHMTRVWXDPYFV-GFCCVEGCSA-N 0 3 354.411 -0.401 20 0 FBADHN COCCN(C)CCNC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000375209549 484295312 /nfs/dbraw/zinc/29/53/12/484295312.db2.gz GCHMTRVWXDPYFV-LBPRGKRZSA-N 0 3 354.411 -0.401 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000375214036 484295548 /nfs/dbraw/zinc/29/55/48/484295548.db2.gz APZHYZXGIFLJBQ-CHWSQXEVSA-N 0 3 354.432 -0.417 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000375214037 484294611 /nfs/dbraw/zinc/29/46/11/484294611.db2.gz APZHYZXGIFLJBQ-OLZOCXBDSA-N 0 3 354.432 -0.417 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000375214038 484295719 /nfs/dbraw/zinc/29/57/19/484295719.db2.gz APZHYZXGIFLJBQ-QWHCGFSZSA-N 0 3 354.432 -0.417 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000375214039 484294742 /nfs/dbraw/zinc/29/47/42/484294742.db2.gz APZHYZXGIFLJBQ-STQMWFEESA-N 0 3 354.432 -0.417 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000375243164 484296165 /nfs/dbraw/zinc/29/61/65/484296165.db2.gz VFGPAYSJBDDLFW-UHFFFAOYSA-N 0 3 354.432 -0.375 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000375252098 484297355 /nfs/dbraw/zinc/29/73/55/484297355.db2.gz DDEZPKRTERXLNK-UHFFFAOYSA-N 0 3 355.464 -0.309 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN(C)CC2(O)CCOCC2)C1 ZINC000375253990 484297684 /nfs/dbraw/zinc/29/76/84/484297684.db2.gz WREXHUZUOSFHNA-INIZCTEOSA-N 0 3 357.495 -0.067 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN(C)CC2(O)CCOCC2)C1 ZINC000375253991 484296922 /nfs/dbraw/zinc/29/69/22/484296922.db2.gz 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CC(C)CN1CCO[C@@H](CNC(=O)CN2CCOC[C@@H]2c2nnc[nH]2)C1 ZINC000375294206 484298612 /nfs/dbraw/zinc/29/86/12/484298612.db2.gz ABAPMWUSSXUQLY-LSDHHAIUSA-N 0 3 366.466 -0.349 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@@H](n3cncn3)C1)c(=O)n2C ZINC000375327312 484300126 /nfs/dbraw/zinc/30/01/26/484300126.db2.gz IGPLUBNHGBNDJO-GFCCVEGCSA-N 0 3 358.406 -0.638 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@H](n3cncn3)C1)c(=O)n2C ZINC000375327313 484300913 /nfs/dbraw/zinc/30/09/13/484300913.db2.gz IGPLUBNHGBNDJO-LBPRGKRZSA-N 0 3 358.406 -0.638 20 0 FBADHN O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCN(c2cnccn2)CC1 ZINC000375335602 484300238 /nfs/dbraw/zinc/30/02/38/484300238.db2.gz LJJCXMDXUIQEOO-KBXCAEBGSA-N 0 3 358.446 -0.228 20 0 FBADHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)N1CCN(c2cnccn2)CC1 ZINC000375335604 484300882 /nfs/dbraw/zinc/30/08/82/484300882.db2.gz LJJCXMDXUIQEOO-KDOFPFPSSA-N 0 3 358.446 -0.228 20 0 FBADHN O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)N1CCN(c2cnccn2)CC1 ZINC000375335606 484300770 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/nfs/dbraw/zinc/35/22/19/484352219.db2.gz VKWOOOVFIVWKMC-STQMWFEESA-N 0 3 353.510 -0.186 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C[C@H]21 ZINC000376373325 484353560 /nfs/dbraw/zinc/35/35/60/484353560.db2.gz WDVNSQPVZXYZDE-FPCVCCKLSA-N 0 3 351.447 -0.055 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C[C@H]21 ZINC000376373327 484353671 /nfs/dbraw/zinc/35/36/71/484353671.db2.gz WDVNSQPVZXYZDE-JJXSEGSLSA-N 0 3 351.447 -0.055 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C[C@@H]21 ZINC000376373328 484353826 /nfs/dbraw/zinc/35/38/26/484353826.db2.gz WDVNSQPVZXYZDE-JONQDZQNSA-N 0 3 351.447 -0.055 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C[C@@H]21 ZINC000376373331 484354261 /nfs/dbraw/zinc/35/42/61/484354261.db2.gz WDVNSQPVZXYZDE-QXSJWSMHSA-N 0 3 351.447 -0.055 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000376381297 484353167 /nfs/dbraw/zinc/35/31/67/484353167.db2.gz DQBHVDOSJUGEKG-KRWDZBQOSA-N 0 3 363.466 -0.611 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@]3(C2)CCCN(C)C3=O)n1 ZINC000376381299 484353887 /nfs/dbraw/zinc/35/38/87/484353887.db2.gz DQBHVDOSJUGEKG-QGZVFWFLSA-N 0 3 363.466 -0.611 20 0 FBADHN CC[C@@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@@]2(CCOC2)O1 ZINC000376382724 484354143 /nfs/dbraw/zinc/35/41/43/484354143.db2.gz MPCHUOPASGEACH-CXAGYDPISA-N 0 3 366.466 -0.286 20 0 FBADHN CC[C@@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@]2(CCOC2)O1 ZINC000376382727 484353298 /nfs/dbraw/zinc/35/32/98/484353298.db2.gz MPCHUOPASGEACH-DYVFJYSZSA-N 0 3 366.466 -0.286 20 0 FBADHN CC[C@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@]2(CCOC2)O1 ZINC000376382731 484353694 /nfs/dbraw/zinc/35/36/94/484353694.db2.gz MPCHUOPASGEACH-GUYCJALGSA-N 0 3 366.466 -0.286 20 0 FBADHN CC[C@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@@]2(CCOC2)O1 ZINC000376382734 484353478 /nfs/dbraw/zinc/35/34/78/484353478.db2.gz MPCHUOPASGEACH-SUMWQHHRSA-N 0 3 366.466 -0.286 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000376384321 484353522 /nfs/dbraw/zinc/35/35/22/484353522.db2.gz IDKHYOAQRQLJPK-UHFFFAOYSA-N 0 3 364.512 -0.198 20 0 FBADHN COCCCN(C)CCNC(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000376391170 484354079 /nfs/dbraw/zinc/35/40/79/484354079.db2.gz JGTIXRHTMPKWHL-UHFFFAOYSA-N 0 3 355.439 -0.225 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@]3(CCO[C@H]3C)C2)n1 ZINC000376392129 484353543 /nfs/dbraw/zinc/35/35/43/484353543.db2.gz QQQWUEJLVGSNFR-BLLLJJGKSA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1 ZINC000376392130 484354319 /nfs/dbraw/zinc/35/43/19/484354319.db2.gz QQQWUEJLVGSNFR-LRDDRELGSA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1 ZINC000376392131 484354003 /nfs/dbraw/zinc/35/40/03/484354003.db2.gz QQQWUEJLVGSNFR-MLGOLLRUSA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1 ZINC000376392132 484354232 /nfs/dbraw/zinc/35/42/32/484354232.db2.gz QQQWUEJLVGSNFR-WBMJQRKESA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC3(CCN(C)C3=O)CC2)n1 ZINC000376392322 484354403 /nfs/dbraw/zinc/35/44/03/484354403.db2.gz SJZQCXLBGDGMQI-UHFFFAOYSA-N 0 3 363.466 -0.611 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000376397995 484354335 /nfs/dbraw/zinc/35/43/35/484354335.db2.gz LGCJGKBAVVHIOR-JLLWLGSASA-N 0 3 358.420 -0.843 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000376398000 484353274 /nfs/dbraw/zinc/35/32/74/484353274.db2.gz LGCJGKBAVVHIOR-WCQGTBRESA-N 0 3 358.420 -0.843 20 0 FBADHN Cc1cn2c(n1)[C@@H](CNc1nc(NCCO)nc(NC(C)C)n1)CCC2 ZINC000376401591 484355004 /nfs/dbraw/zinc/35/50/04/484355004.db2.gz BMUWJMJMHTYHOP-CYBMUJFWSA-N 0 3 360.466 -0.144 20 0 FBADHN Cc1cn2c(n1)[C@H](CNc1nc(NCCO)nc(NC(C)C)n1)CCC2 ZINC000376401592 484355407 /nfs/dbraw/zinc/35/54/07/484355407.db2.gz BMUWJMJMHTYHOP-ZDUSSCGKSA-N 0 3 360.466 -0.144 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CC(=O)Nc3ccccc32)n1 ZINC000376409873 484354954 /nfs/dbraw/zinc/35/49/54/484354954.db2.gz UYXDODXCTVAYNC-GFCCVEGCSA-N 0 3 371.445 -0.100 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC000376409879 484355547 /nfs/dbraw/zinc/35/55/47/484355547.db2.gz UYXDODXCTVAYNC-LBPRGKRZSA-N 0 3 371.445 -0.100 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000376418594 484355716 /nfs/dbraw/zinc/35/57/16/484355716.db2.gz BIJDYHYMCOTAFQ-KRWDZBQOSA-N 0 3 366.466 -0.286 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1 ZINC000376418596 484355197 /nfs/dbraw/zinc/35/51/97/484355197.db2.gz BIJDYHYMCOTAFQ-QGZVFWFLSA-N 0 3 366.466 -0.286 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1 ZINC000376433026 484356894 /nfs/dbraw/zinc/35/68/94/484356894.db2.gz GSMDNNXZANANGQ-BLLLJJGKSA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1 ZINC000376433028 484356814 /nfs/dbraw/zinc/35/68/14/484356814.db2.gz GSMDNNXZANANGQ-LRDDRELGSA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1 ZINC000376433030 484357504 /nfs/dbraw/zinc/35/75/04/484357504.db2.gz GSMDNNXZANANGQ-MLGOLLRUSA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1 ZINC000376433031 484357479 /nfs/dbraw/zinc/35/74/79/484357479.db2.gz GSMDNNXZANANGQ-WBMJQRKESA-N 0 3 352.439 -0.676 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2C[C@H](CO)c3ccccc32)n1 ZINC000376434015 484356938 /nfs/dbraw/zinc/35/69/38/484356938.db2.gz JZTSNFQFZQCMAN-DOMZBBRYSA-N 0 3 358.446 -0.005 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2C[C@H](CO)c3ccccc32)n1 ZINC000376434017 484357396 /nfs/dbraw/zinc/35/73/96/484357396.db2.gz JZTSNFQFZQCMAN-IUODEOHRSA-N 0 3 358.446 -0.005 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2C[C@@H](CO)c3ccccc32)n1 ZINC000376434018 484356956 /nfs/dbraw/zinc/35/69/56/484356956.db2.gz JZTSNFQFZQCMAN-SWLSCSKDSA-N 0 3 358.446 -0.005 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2C[C@@H](CO)c3ccccc32)n1 ZINC000376434019 484357255 /nfs/dbraw/zinc/35/72/55/484357255.db2.gz JZTSNFQFZQCMAN-WFASDCNBSA-N 0 3 358.446 -0.005 20 0 FBADHN COC(=O)[C@]12CCC[C@@H]1CN(c1nc(NCCO)nc(NC(C)C)n1)C2 ZINC000376446508 484356796 /nfs/dbraw/zinc/35/67/96/484356796.db2.gz HBLKQRMKNUUHKA-PXAZEXFGSA-N 0 3 364.450 -0.281 20 0 FBADHN COC(=O)[C@]12CCC[C@H]1CN(c1nc(NCCO)nc(NC(C)C)n1)C2 ZINC000376446510 484357053 /nfs/dbraw/zinc/35/70/53/484357053.db2.gz HBLKQRMKNUUHKA-SJCJKPOMSA-N 0 3 364.450 -0.281 20 0 FBADHN COC(=O)[C@@]12CCC[C@@H]1CN(c1nc(NCCO)nc(NC(C)C)n1)C2 ZINC000376446512 484356841 /nfs/dbraw/zinc/35/68/41/484356841.db2.gz HBLKQRMKNUUHKA-SJKOYZFVSA-N 0 3 364.450 -0.281 20 0 FBADHN COC(=O)[C@@]12CCC[C@H]1CN(c1nc(NCCO)nc(NC(C)C)n1)C2 ZINC000376446514 484356547 /nfs/dbraw/zinc/35/65/47/484356547.db2.gz HBLKQRMKNUUHKA-YVEFUNNKSA-N 0 3 364.450 -0.281 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H](Oc3cccnc3)C2)n1 ZINC000376451155 484357181 /nfs/dbraw/zinc/35/71/81/484357181.db2.gz UOXYPBKSIDQZPU-AWEZNQCLSA-N 0 3 359.434 -0.007 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000376451156 484356320 /nfs/dbraw/zinc/35/63/20/484356320.db2.gz UOXYPBKSIDQZPU-CQSZACIVSA-N 0 3 359.434 -0.007 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCCN(c3ccccn3)C2)n1 ZINC000376451299 484356225 /nfs/dbraw/zinc/35/62/25/484356225.db2.gz UYFKKSLLDXXGPM-AWEZNQCLSA-N 0 3 372.477 -0.162 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000376451301 484357575 /nfs/dbraw/zinc/35/75/75/484357575.db2.gz UYFKKSLLDXXGPM-CQSZACIVSA-N 0 3 372.477 -0.162 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC3(CCOC3=O)CC2)n1 ZINC000376453778 484356668 /nfs/dbraw/zinc/35/66/68/484356668.db2.gz HQNDFXPACMVWQF-UHFFFAOYSA-N 0 3 350.423 -0.527 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN([C@@H]3CCSC3)CC2)n1 ZINC000376456898 484356465 /nfs/dbraw/zinc/35/64/65/484356465.db2.gz YRAINOJKLCUUDD-CYBMUJFWSA-N 0 3 367.523 -0.433 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN([C@H]3CCSC3)CC2)n1 ZINC000376456904 484356715 /nfs/dbraw/zinc/35/67/15/484356715.db2.gz YRAINOJKLCUUDD-ZDUSSCGKSA-N 0 3 367.523 -0.433 20 0 FBADHN Cc1nccnc1N1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000376460230 484358592 /nfs/dbraw/zinc/35/85/92/484358592.db2.gz IUQWYGBXRYUAJO-UHFFFAOYSA-N 0 3 373.465 -0.635 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCOC3(CCOCC3)CC2)n1 ZINC000376460350 484358648 /nfs/dbraw/zinc/35/86/48/484358648.db2.gz IQXGYYOBHGOTQP-UHFFFAOYSA-N 0 3 366.466 -0.284 20 0 FBADHN CCN1CN(C(=O)C(=O)Nc2cnn(CCN3CCCCC3)c2)CC1=O ZINC000376460495 484358516 /nfs/dbraw/zinc/35/85/16/484358516.db2.gz XMJDNQNWIVVBEG-UHFFFAOYSA-N 0 3 362.434 -0.044 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000376461165 484359392 /nfs/dbraw/zinc/35/93/92/484359392.db2.gz LJCYELAWUWOTJF-CQSZACIVSA-N 0 3 359.434 -0.007 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCCN(C(=O)C3CC3)CC2)n1 ZINC000376464276 484359354 /nfs/dbraw/zinc/35/93/54/484359354.db2.gz YTVYZTSQOKNOMA-UHFFFAOYSA-N 0 3 363.466 -0.611 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(Oc3cnccn3)CC2)n1 ZINC000376466715 484358991 /nfs/dbraw/zinc/35/89/91/484358991.db2.gz KIJTUOVBDYZZID-UHFFFAOYSA-N 0 3 374.449 -0.222 20 0 FBADHN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CN2CCN1CCC2 ZINC000376467089 484358711 /nfs/dbraw/zinc/35/87/11/484358711.db2.gz MEWIRTIOSOABAM-CHWSQXEVSA-N 0 3 350.385 -0.244 20 0 FBADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CN2CCN1CCC2 ZINC000376467090 484359292 /nfs/dbraw/zinc/35/92/92/484359292.db2.gz MEWIRTIOSOABAM-OLZOCXBDSA-N 0 3 350.385 -0.244 20 0 FBADHN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CN2CCN1CCC2 ZINC000376467091 484359229 /nfs/dbraw/zinc/35/92/29/484359229.db2.gz MEWIRTIOSOABAM-QWHCGFSZSA-N 0 3 350.385 -0.244 20 0 FBADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CN2CCN1CCC2 ZINC000376467092 484359163 /nfs/dbraw/zinc/35/91/63/484359163.db2.gz MEWIRTIOSOABAM-STQMWFEESA-N 0 3 350.385 -0.244 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NCCNC(=O)c3ccn[nH]3)n2)CC1 ZINC000376472159 484138484 /nfs/dbraw/zinc/13/84/84/484138484.db2.gz NCMYGKRZUCCBIT-UHFFFAOYSA-N 0 3 360.422 0.424 20 0 FBADHN Cc1nc(Cn2cc(C(=O)N3CCN([C@H]4CCCN(C)C4)CC3)nn2)no1 ZINC000376473103 484359260 /nfs/dbraw/zinc/35/92/60/484359260.db2.gz RETYWHMBDMZEPD-AWEZNQCLSA-N 0 3 374.449 -0.130 20 0 FBADHN Cc1nc(Cn2cc(C(=O)N3CCN([C@@H]4CCCN(C)C4)CC3)nn2)no1 ZINC000376473104 484359072 /nfs/dbraw/zinc/35/90/72/484359072.db2.gz RETYWHMBDMZEPD-CQSZACIVSA-N 0 3 374.449 -0.130 20 0 FBADHN Cc1cc(N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)n[nH]1 ZINC000376474120 484357965 /nfs/dbraw/zinc/35/79/65/484357965.db2.gz JONGHLVMWSFNLP-UHFFFAOYSA-N 0 3 361.454 -0.702 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@]3(CNC(=O)O3)C2)n1 ZINC000376477222 484358954 /nfs/dbraw/zinc/35/89/54/484358954.db2.gz CHKVUEVPRIJNMW-HNNXBMFYSA-N 0 3 351.411 -0.981 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@]3(CNC(=O)O3)C2)n1 ZINC000376477223 484359102 /nfs/dbraw/zinc/35/91/02/484359102.db2.gz CHKVUEVPRIJNMW-OAHLLOKOSA-N 0 3 351.411 -0.981 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000376477294 484359135 /nfs/dbraw/zinc/35/91/35/484359135.db2.gz PPYAVJJDWPEBRZ-CXAGYDPISA-N 0 3 350.467 -0.021 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000376477295 484358854 /nfs/dbraw/zinc/35/88/54/484358854.db2.gz PPYAVJJDWPEBRZ-DYVFJYSZSA-N 0 3 350.467 -0.021 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@]2(C)CCO[C@H]2C2CC2)n1 ZINC000376477297 484358119 /nfs/dbraw/zinc/35/81/19/484358119.db2.gz PPYAVJJDWPEBRZ-GUYCJALGSA-N 0 3 350.467 -0.021 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@]2(C)CCO[C@H]2C2CC2)n1 ZINC000376477298 484358478 /nfs/dbraw/zinc/35/84/78/484358478.db2.gz PPYAVJJDWPEBRZ-SUMWQHHRSA-N 0 3 350.467 -0.021 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCCN(CC(C)(C)O)CC2)n1 ZINC000376488283 484360780 /nfs/dbraw/zinc/36/07/80/484360780.db2.gz ZKQXNRRKEUEYKV-UHFFFAOYSA-N 0 3 367.498 -0.777 20 0 FBADHN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000376497814 484360106 /nfs/dbraw/zinc/36/01/06/484360106.db2.gz OJXUYFJQJWWEMO-CHWSQXEVSA-N 0 3 355.464 -0.216 20 0 FBADHN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000376497815 484360218 /nfs/dbraw/zinc/36/02/18/484360218.db2.gz OJXUYFJQJWWEMO-OLZOCXBDSA-N 0 3 355.464 -0.216 20 0 FBADHN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000376497816 484360129 /nfs/dbraw/zinc/36/01/29/484360129.db2.gz OJXUYFJQJWWEMO-QWHCGFSZSA-N 0 3 355.464 -0.216 20 0 FBADHN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000376497817 484359813 /nfs/dbraw/zinc/35/98/13/484359813.db2.gz OJXUYFJQJWWEMO-STQMWFEESA-N 0 3 355.464 -0.216 20 0 FBADHN COCCCN1CCC(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000376506820 484360206 /nfs/dbraw/zinc/36/02/06/484360206.db2.gz RWKDVECPUNOBMD-AWEZNQCLSA-N 0 3 362.496 -0.050 20 0 FBADHN COCCCN1CCC(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000376506821 484359906 /nfs/dbraw/zinc/35/99/06/484359906.db2.gz RWKDVECPUNOBMD-CQSZACIVSA-N 0 3 362.496 -0.050 20 0 FBADHN COCCCN1CCCN(C(=O)CNS(=O)(=O)CCCOC)CC1 ZINC000376525789 484360454 /nfs/dbraw/zinc/36/04/54/484360454.db2.gz BQXFEDKLCOANHH-UHFFFAOYSA-N 0 3 365.496 -0.487 20 0 FBADHN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c(-n2cncn2)n1 ZINC000376553093 484361510 /nfs/dbraw/zinc/36/15/10/484361510.db2.gz OAWFTGUMVGDVJJ-HNNXBMFYSA-N 0 3 371.445 -0.003 20 0 FBADHN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c(-n2cncn2)n1 ZINC000376553094 484361380 /nfs/dbraw/zinc/36/13/80/484361380.db2.gz OAWFTGUMVGDVJJ-OAHLLOKOSA-N 0 3 371.445 -0.003 20 0 FBADHN CCc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000376560802 484363046 /nfs/dbraw/zinc/36/30/46/484363046.db2.gz HQAOITDPSWOSAV-FRRDWIJNSA-N 0 3 365.434 -0.324 20 0 FBADHN CCc1noc([C@H]2C[C@H](O)CN2C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000376560803 484362418 /nfs/dbraw/zinc/36/24/18/484362418.db2.gz HQAOITDPSWOSAV-RWMBFGLXSA-N 0 3 365.434 -0.324 20 0 FBADHN COCCN(C)CCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376584065 484362912 /nfs/dbraw/zinc/36/29/12/484362912.db2.gz KXBHAEXNGJHAEN-LSDHHAIUSA-N 0 3 357.451 -0.523 20 0 FBADHN CNCC(=O)NC[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000376604029 484362850 /nfs/dbraw/zinc/36/28/50/484362850.db2.gz KJTMDDCEENSXPU-KBPBESRZSA-N 0 3 352.460 -0.531 20 0 FBADHN CNCC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000376604030 484363436 /nfs/dbraw/zinc/36/34/36/484363436.db2.gz KJTMDDCEENSXPU-UONOGXRCSA-N 0 3 352.460 -0.531 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@]2(F)CCNC2)c1 ZINC000376609604 484364987 /nfs/dbraw/zinc/36/49/87/484364987.db2.gz JTTWNMOMRKJBNR-HNNXBMFYSA-N 0 3 359.423 -0.071 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@]2(F)CCNC2)c1 ZINC000376609605 484364955 /nfs/dbraw/zinc/36/49/55/484364955.db2.gz JTTWNMOMRKJBNR-OAHLLOKOSA-N 0 3 359.423 -0.071 20 0 FBADHN COCCN1CCC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000376622793 484364617 /nfs/dbraw/zinc/36/46/17/484364617.db2.gz QUIQIFIMXNGFQD-JKSUJKDBSA-N 0 3 369.462 -0.380 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376648983 484365576 /nfs/dbraw/zinc/36/55/76/484365576.db2.gz OLZQHBYAFYFOTN-PSASIEDQSA-N 0 3 357.208 -0.078 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376648984 484365868 /nfs/dbraw/zinc/36/58/68/484365868.db2.gz OLZQHBYAFYFOTN-SCZZXKLOSA-N 0 3 357.208 -0.078 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376648985 484366160 /nfs/dbraw/zinc/36/61/60/484366160.db2.gz OLZQHBYAFYFOTN-WCBMZHEXSA-N 0 3 357.208 -0.078 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376648986 484366309 /nfs/dbraw/zinc/36/63/09/484366309.db2.gz OLZQHBYAFYFOTN-WPRPVWTQSA-N 0 3 357.208 -0.078 20 0 FBADHN CN(C)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000376666799 484367550 /nfs/dbraw/zinc/36/75/50/484367550.db2.gz LNHUOVASUWVTOM-KBPBESRZSA-N 0 3 374.441 -0.300 20 0 FBADHN CN(C)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000376666800 484367041 /nfs/dbraw/zinc/36/70/41/484367041.db2.gz LNHUOVASUWVTOM-KGLIPLIRSA-N 0 3 374.441 -0.300 20 0 FBADHN CN(C)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000376666801 484367540 /nfs/dbraw/zinc/36/75/40/484367540.db2.gz LNHUOVASUWVTOM-UONOGXRCSA-N 0 3 374.441 -0.300 20 0 FBADHN CN(C)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000376666803 484367907 /nfs/dbraw/zinc/36/79/07/484367907.db2.gz LNHUOVASUWVTOM-ZIAGYGMSSA-N 0 3 374.441 -0.300 20 0 FBADHN COCCCN(C)CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376669049 484367462 /nfs/dbraw/zinc/36/74/62/484367462.db2.gz BHHFKHRKSHAGCB-LSDHHAIUSA-N 0 3 357.451 -0.523 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C1 ZINC000376708714 484141753 /nfs/dbraw/zinc/14/17/53/484141753.db2.gz BABIPDSNVKZFRO-INIZCTEOSA-N 0 3 374.489 0.396 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C1 ZINC000376708717 484140500 /nfs/dbraw/zinc/14/05/00/484140500.db2.gz BABIPDSNVKZFRO-MRXNPFEDSA-N 0 3 374.489 0.396 20 0 FBADHN CCN1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000376716847 484369470 /nfs/dbraw/zinc/36/94/70/484369470.db2.gz PDVXGUBWXMAUAZ-KBPBESRZSA-N 0 3 357.476 -0.424 20 0 FBADHN CCN1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000376716848 484369011 /nfs/dbraw/zinc/36/90/11/484369011.db2.gz PDVXGUBWXMAUAZ-KGLIPLIRSA-N 0 3 357.476 -0.424 20 0 FBADHN CCN1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000376716849 484369093 /nfs/dbraw/zinc/36/90/93/484369093.db2.gz PDVXGUBWXMAUAZ-UONOGXRCSA-N 0 3 357.476 -0.424 20 0 FBADHN CCN1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000376716850 484369655 /nfs/dbraw/zinc/36/96/55/484369655.db2.gz PDVXGUBWXMAUAZ-ZIAGYGMSSA-N 0 3 357.476 -0.424 20 0 FBADHN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCN2CCC1CC2 ZINC000376718142 484368484 /nfs/dbraw/zinc/36/84/84/484368484.db2.gz NQPCRRBVOSSGKU-HNNXBMFYSA-N 0 3 374.507 -0.036 20 0 FBADHN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCN2CCC1CC2 ZINC000376718143 484368857 /nfs/dbraw/zinc/36/88/57/484368857.db2.gz NQPCRRBVOSSGKU-OAHLLOKOSA-N 0 3 374.507 -0.036 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000376720031 484369510 /nfs/dbraw/zinc/36/95/10/484369510.db2.gz JSYGQCOJKFCTIF-UHFFFAOYSA-N 0 3 360.458 -0.611 20 0 FBADHN NC1(C(=O)NCCS(=O)(=O)N2CCSCC2)Cc2ccccc2C1 ZINC000376720118 484369746 /nfs/dbraw/zinc/36/97/46/484369746.db2.gz MEFYSPRDXKERGG-UHFFFAOYSA-N 0 3 369.512 -0.023 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376721074 484368907 /nfs/dbraw/zinc/36/89/07/484368907.db2.gz BNMYDYCSGKCRPU-HRCADAONSA-N 0 3 369.462 -0.380 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376721075 484369300 /nfs/dbraw/zinc/36/93/00/484369300.db2.gz BNMYDYCSGKCRPU-OWCLPIDISA-N 0 3 369.462 -0.380 20 0 FBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376721424 484368980 /nfs/dbraw/zinc/36/89/80/484368980.db2.gz JWFAMIAEQUGNPV-FXUDXRNXSA-N 0 3 367.446 -0.628 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376721425 484369371 /nfs/dbraw/zinc/36/93/71/484369371.db2.gz JWFAMIAEQUGNPV-LVQVYYBASA-N 0 3 367.446 -0.628 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376721426 484369186 /nfs/dbraw/zinc/36/91/86/484369186.db2.gz JWFAMIAEQUGNPV-XUWVNRHRSA-N 0 3 367.446 -0.628 20 0 FBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376721427 484368841 /nfs/dbraw/zinc/36/88/41/484368841.db2.gz JWFAMIAEQUGNPV-YHUYYLMFSA-N 0 3 367.446 -0.628 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000376722258 484370280 /nfs/dbraw/zinc/37/02/80/484370280.db2.gz MVTXZFPMRSAIJC-INIZCTEOSA-N 0 3 352.479 -0.138 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000376722259 484371666 /nfs/dbraw/zinc/37/16/66/484371666.db2.gz MVTXZFPMRSAIJC-MRXNPFEDSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)O1 ZINC000376736753 484371646 /nfs/dbraw/zinc/37/16/46/484371646.db2.gz UBGVXIXGVSGUQF-OAGGEKHMSA-N 0 3 352.479 -0.139 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)O1 ZINC000376736754 484371471 /nfs/dbraw/zinc/37/14/71/484371471.db2.gz UBGVXIXGVSGUQF-XHSDSOJGSA-N 0 3 352.479 -0.139 20 0 FBADHN NS(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376753810 484371164 /nfs/dbraw/zinc/37/11/64/484371164.db2.gz CVQGXMMRQMIYEW-KBPBESRZSA-N 0 3 368.459 -0.004 20 0 FBADHN NS(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376753811 484370973 /nfs/dbraw/zinc/37/09/73/484370973.db2.gz CVQGXMMRQMIYEW-KGLIPLIRSA-N 0 3 368.459 -0.004 20 0 FBADHN NS(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376753812 484370784 /nfs/dbraw/zinc/37/07/84/484370784.db2.gz CVQGXMMRQMIYEW-UONOGXRCSA-N 0 3 368.459 -0.004 20 0 FBADHN NS(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376753813 484371523 /nfs/dbraw/zinc/37/15/23/484371523.db2.gz CVQGXMMRQMIYEW-ZIAGYGMSSA-N 0 3 368.459 -0.004 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3cnn(C)c3)CC2)n1 ZINC000376759374 484372777 /nfs/dbraw/zinc/37/27/77/484372777.db2.gz UOMKWRGDQYIPTI-UHFFFAOYSA-N 0 3 361.454 -1.000 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2C(=O)CCC2=O)CC1=O ZINC000376763318 484372050 /nfs/dbraw/zinc/37/20/50/484372050.db2.gz DWFCDEIKLJWEDR-KBPBESRZSA-N 0 3 364.446 -0.416 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCN2C(=O)CCC2=O)CC1=O ZINC000376763319 484372939 /nfs/dbraw/zinc/37/29/39/484372939.db2.gz DWFCDEIKLJWEDR-KGLIPLIRSA-N 0 3 364.446 -0.416 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2C(=O)CCC2=O)CC1=O ZINC000376763320 484372264 /nfs/dbraw/zinc/37/22/64/484372264.db2.gz DWFCDEIKLJWEDR-UONOGXRCSA-N 0 3 364.446 -0.416 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2C(=O)CCC2=O)CC1=O ZINC000376763321 484373099 /nfs/dbraw/zinc/37/30/99/484373099.db2.gz DWFCDEIKLJWEDR-ZIAGYGMSSA-N 0 3 364.446 -0.416 20 0 FBADHN O=C(NCCCN1CCOCC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000376764144 484372327 /nfs/dbraw/zinc/37/23/27/484372327.db2.gz KFUAHQGQMOHTPG-KRWDZBQOSA-N 0 3 369.510 -0.586 20 0 FBADHN O=C(NCCCN1CCOCC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000376764146 484373692 /nfs/dbraw/zinc/37/36/92/484373692.db2.gz KFUAHQGQMOHTPG-QGZVFWFLSA-N 0 3 369.510 -0.586 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000376766131 484372115 /nfs/dbraw/zinc/37/21/15/484372115.db2.gz QTCHGXUPMUGRAT-DLBZAZTESA-N 0 3 369.510 -0.899 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000376766137 484373551 /nfs/dbraw/zinc/37/35/51/484373551.db2.gz QTCHGXUPMUGRAT-IAGOWNOFSA-N 0 3 369.510 -0.899 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000376766138 484373383 /nfs/dbraw/zinc/37/33/83/484373383.db2.gz QTCHGXUPMUGRAT-IRXDYDNUSA-N 0 3 369.510 -0.899 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000376766140 484372676 /nfs/dbraw/zinc/37/26/76/484372676.db2.gz QTCHGXUPMUGRAT-SJORKVTESA-N 0 3 369.510 -0.899 20 0 FBADHN CCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCN(C)CC)c2ccccc2O1 ZINC000376770112 484372229 /nfs/dbraw/zinc/37/22/29/484372229.db2.gz YXYKAMOUJPRCKR-HNNXBMFYSA-N 0 3 362.430 -0.015 20 0 FBADHN CCNC(=O)[C@H]1CN(C(=O)C(=O)NCCN(C)CC)c2ccccc2O1 ZINC000376770113 484373597 /nfs/dbraw/zinc/37/35/97/484373597.db2.gz YXYKAMOUJPRCKR-OAHLLOKOSA-N 0 3 362.430 -0.015 20 0 FBADHN CN(C)CCn1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)n1 ZINC000376776723 484107229 /nfs/dbraw/zinc/10/72/29/484107229.db2.gz IQRODDBJQGSTHX-UONOGXRCSA-N 0 3 365.434 -0.210 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000376778380 484372981 /nfs/dbraw/zinc/37/29/81/484372981.db2.gz OJBKLFPCXYXKIB-KBPBESRZSA-N 0 3 374.432 -0.107 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000376778384 484373515 /nfs/dbraw/zinc/37/35/15/484373515.db2.gz OJBKLFPCXYXKIB-KGLIPLIRSA-N 0 3 374.432 -0.107 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000376778386 484372470 /nfs/dbraw/zinc/37/24/70/484372470.db2.gz OJBKLFPCXYXKIB-UONOGXRCSA-N 0 3 374.432 -0.107 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000376778388 484372381 /nfs/dbraw/zinc/37/23/81/484372381.db2.gz OJBKLFPCXYXKIB-ZIAGYGMSSA-N 0 3 374.432 -0.107 20 0 FBADHN CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376779787 484373305 /nfs/dbraw/zinc/37/33/05/484373305.db2.gz UTKZDOKGPIEOAF-LLVKDONJSA-N 0 3 357.436 -0.745 20 0 FBADHN CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376779787 484373295 /nfs/dbraw/zinc/37/32/95/484373295.db2.gz UTKZDOKGPIEOAF-LLVKDONJSA-N 0 3 357.436 -0.745 20 0 FBADHN CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376779790 484375134 /nfs/dbraw/zinc/37/51/34/484375134.db2.gz UTKZDOKGPIEOAF-NSHDSACASA-N 0 3 357.436 -0.745 20 0 FBADHN CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376779790 484375129 /nfs/dbraw/zinc/37/51/29/484375129.db2.gz UTKZDOKGPIEOAF-NSHDSACASA-N 0 3 357.436 -0.745 20 0 FBADHN CS(=O)(=O)NCC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000376780009 484373934 /nfs/dbraw/zinc/37/39/34/484373934.db2.gz VDNYEJWROXIZJP-CABCVRRESA-N 0 3 374.507 -0.180 20 0 FBADHN CS(=O)(=O)NCC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000376780010 484375161 /nfs/dbraw/zinc/37/51/61/484375161.db2.gz VDNYEJWROXIZJP-GJZGRUSLSA-N 0 3 374.507 -0.180 20 0 FBADHN CS(=O)(=O)NCC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000376780011 484374760 /nfs/dbraw/zinc/37/47/60/484374760.db2.gz VDNYEJWROXIZJP-HUUCEWRRSA-N 0 3 374.507 -0.180 20 0 FBADHN CS(=O)(=O)NCC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000376780012 484374194 /nfs/dbraw/zinc/37/41/94/484374194.db2.gz VDNYEJWROXIZJP-LSDHHAIUSA-N 0 3 374.507 -0.180 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000376784836 484374560 /nfs/dbraw/zinc/37/45/60/484374560.db2.gz PXVVTGLLYVKLQT-INIZCTEOSA-N 0 3 369.510 -0.097 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000376784837 484375033 /nfs/dbraw/zinc/37/50/33/484375033.db2.gz PXVVTGLLYVKLQT-MRXNPFEDSA-N 0 3 369.510 -0.097 20 0 FBADHN CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)s1 ZINC000376798807 484374046 /nfs/dbraw/zinc/37/40/46/484374046.db2.gz KICQOELGAGOIME-GFCCVEGCSA-N 0 3 358.489 -0.338 20 0 FBADHN CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)s1 ZINC000376798808 484375053 /nfs/dbraw/zinc/37/50/53/484375053.db2.gz KICQOELGAGOIME-LBPRGKRZSA-N 0 3 358.489 -0.338 20 0 FBADHN O=C(CNC(=O)[C@H]1CN2CCN1CCC2)N1CCN(c2ccccc2)CC1 ZINC000376804637 484374633 /nfs/dbraw/zinc/37/46/33/484374633.db2.gz PEHMALJMTXAXAW-GOSISDBHSA-N 0 3 371.485 -0.159 20 0 FBADHN O=C(CNC(=O)[C@@H]1CN2CCN1CCC2)N1CCN(c2ccccc2)CC1 ZINC000376804638 484374847 /nfs/dbraw/zinc/37/48/47/484374847.db2.gz PEHMALJMTXAXAW-SFHVURJKSA-N 0 3 371.485 -0.159 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)n1 ZINC000376832380 484105178 /nfs/dbraw/zinc/10/51/78/484105178.db2.gz VQDQTGYDPLGHBY-CYBMUJFWSA-N 0 3 372.495 0.332 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)n1 ZINC000376832386 484105329 /nfs/dbraw/zinc/10/53/29/484105329.db2.gz VQDQTGYDPLGHBY-ZDUSSCGKSA-N 0 3 372.495 0.332 20 0 FBADHN C[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCCN1 ZINC000376850272 484377692 /nfs/dbraw/zinc/37/76/92/484377692.db2.gz CRHBMJVFOBJOIA-HNNXBMFYSA-N 0 3 360.480 -0.760 20 0 FBADHN C[C@]1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCCN1 ZINC000376850273 484377460 /nfs/dbraw/zinc/37/74/60/484377460.db2.gz CRHBMJVFOBJOIA-OAHLLOKOSA-N 0 3 360.480 -0.760 20 0 FBADHN C[C@@]1(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCCN1 ZINC000376851827 484377639 /nfs/dbraw/zinc/37/76/39/484377639.db2.gz NQJXBNADRCPVQM-INIZCTEOSA-N 0 3 374.507 -0.324 20 0 FBADHN C[C@]1(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCCN1 ZINC000376851828 484377657 /nfs/dbraw/zinc/37/76/57/484377657.db2.gz NQJXBNADRCPVQM-MRXNPFEDSA-N 0 3 374.507 -0.324 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1=CCN(C)CC1 ZINC000376852323 484377720 /nfs/dbraw/zinc/37/77/20/484377720.db2.gz QWDIHQGXCYPVIY-AEGPPILISA-N 0 3 369.487 -0.211 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1=CCN(C)CC1 ZINC000376852324 484377231 /nfs/dbraw/zinc/37/72/31/484377231.db2.gz QWDIHQGXCYPVIY-CFVMTHIKSA-N 0 3 369.487 -0.211 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1=CCN(C)CC1 ZINC000376852325 484377105 /nfs/dbraw/zinc/37/71/05/484377105.db2.gz QWDIHQGXCYPVIY-NWANDNLSSA-N 0 3 369.487 -0.211 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1=CCN(C)CC1 ZINC000376852326 484377491 /nfs/dbraw/zinc/37/74/91/484377491.db2.gz QWDIHQGXCYPVIY-QEJZJMRPSA-N 0 3 369.487 -0.211 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)CCCCN1 ZINC000376852564 484377836 /nfs/dbraw/zinc/37/78/36/484377836.db2.gz ULVGLXALJGIJJI-GDBMZVCRSA-N 0 3 374.507 -0.324 20 0 FBADHN C[C@]1(C(=O)N[C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)CCCCN1 ZINC000376852565 484377138 /nfs/dbraw/zinc/37/71/38/484377138.db2.gz ULVGLXALJGIJJI-GOEBONIOSA-N 0 3 374.507 -0.324 20 0 FBADHN C[C@@]1(C(=O)N[C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)CCCCN1 ZINC000376852566 484376886 /nfs/dbraw/zinc/37/68/86/484376886.db2.gz ULVGLXALJGIJJI-HOCLYGCPSA-N 0 3 374.507 -0.324 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)CCCCN1 ZINC000376852567 484377535 /nfs/dbraw/zinc/37/75/35/484377535.db2.gz ULVGLXALJGIJJI-ZBFHGGJFSA-N 0 3 374.507 -0.324 20 0 FBADHN CN1CCN([C@H]2CCCCN(C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC000376853419 484377524 /nfs/dbraw/zinc/37/75/24/484377524.db2.gz AVJRZDANWRBDGF-INIZCTEOSA-N 0 3 367.494 -0.343 20 0 FBADHN CN1CCN([C@@H]2CCCCN(C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC000376853421 484377511 /nfs/dbraw/zinc/37/75/11/484377511.db2.gz AVJRZDANWRBDGF-MRXNPFEDSA-N 0 3 367.494 -0.343 20 0 FBADHN CN1CC=C(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000376856929 484377779 /nfs/dbraw/zinc/37/77/79/484377779.db2.gz QDECIAPNIJQHAT-KRWDZBQOSA-N 0 3 351.495 -0.046 20 0 FBADHN CN1CC=C(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000376856930 484377291 /nfs/dbraw/zinc/37/72/91/484377291.db2.gz QDECIAPNIJQHAT-QGZVFWFLSA-N 0 3 351.495 -0.046 20 0 FBADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000376881443 484380094 /nfs/dbraw/zinc/38/00/94/484380094.db2.gz CODWNOXSMJMLMZ-CXAGYDPISA-N 0 3 354.451 -0.083 20 0 FBADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000376881444 484378721 /nfs/dbraw/zinc/37/87/21/484378721.db2.gz CODWNOXSMJMLMZ-DYVFJYSZSA-N 0 3 354.451 -0.083 20 0 FBADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000376881445 484379648 /nfs/dbraw/zinc/37/96/48/484379648.db2.gz CODWNOXSMJMLMZ-GUYCJALGSA-N 0 3 354.451 -0.083 20 0 FBADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000376881446 484379249 /nfs/dbraw/zinc/37/92/49/484379249.db2.gz CODWNOXSMJMLMZ-SUMWQHHRSA-N 0 3 354.451 -0.083 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000376882101 484379056 /nfs/dbraw/zinc/37/90/56/484379056.db2.gz NGELJACEQAHUNY-AWEZNQCLSA-N 0 3 365.478 -0.007 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000376882102 484379714 /nfs/dbraw/zinc/37/97/14/484379714.db2.gz NGELJACEQAHUNY-CQSZACIVSA-N 0 3 365.478 -0.007 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000376882119 484378864 /nfs/dbraw/zinc/37/88/64/484378864.db2.gz NPXNORSJLJAEHM-ACJLOTCBSA-N 0 3 365.478 -0.151 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000376882120 484379074 /nfs/dbraw/zinc/37/90/74/484379074.db2.gz NPXNORSJLJAEHM-FZKQIMNGSA-N 0 3 365.478 -0.151 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000376882121 484379473 /nfs/dbraw/zinc/37/94/73/484379473.db2.gz NPXNORSJLJAEHM-SCLBCKFNSA-N 0 3 365.478 -0.151 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000376882122 484379026 /nfs/dbraw/zinc/37/90/26/484379026.db2.gz NPXNORSJLJAEHM-UGSOOPFHSA-N 0 3 365.478 -0.151 20 0 FBADHN CCN(CCO)CCNC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000376882394 484378604 /nfs/dbraw/zinc/37/86/04/484378604.db2.gz QSEOQVXDLKUPHQ-INIZCTEOSA-N 0 3 369.487 -0.197 20 0 FBADHN CCN(CCO)CCNC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000376882395 484378841 /nfs/dbraw/zinc/37/88/41/484378841.db2.gz QSEOQVXDLKUPHQ-MRXNPFEDSA-N 0 3 369.487 -0.197 20 0 FBADHN O=C(NCCNS(=O)(=O)c1cccnc1)N1CCN2CCC1CC2 ZINC000376886462 484378536 /nfs/dbraw/zinc/37/85/36/484378536.db2.gz HXHSPPOYNHOMKE-UHFFFAOYSA-N 0 3 353.448 -0.151 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000376911224 484380770 /nfs/dbraw/zinc/38/07/70/484380770.db2.gz ORRYZZUFXZGVKX-CYBMUJFWSA-N 0 3 370.475 -0.296 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000376911225 484380969 /nfs/dbraw/zinc/38/09/69/484380969.db2.gz ORRYZZUFXZGVKX-ZDUSSCGKSA-N 0 3 370.475 -0.296 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000376911797 484381053 /nfs/dbraw/zinc/38/10/53/484381053.db2.gz SCQBFTJSRALVOB-HNNXBMFYSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000376911798 484380929 /nfs/dbraw/zinc/38/09/29/484380929.db2.gz SCQBFTJSRALVOB-OAHLLOKOSA-N 0 3 352.479 -0.280 20 0 FBADHN COCCCN1CCCN(C(=O)NCCn2cc(C(=O)OC)nn2)CC1 ZINC000376992497 484385049 /nfs/dbraw/zinc/38/50/49/484385049.db2.gz IJIOMNCHHRLLEM-UHFFFAOYSA-N 0 3 368.438 -0.182 20 0 FBADHN COC(=O)c1cn(CCNC(=O)N2CCCN(CC(C)(C)O)CC2)nn1 ZINC000376995471 484385582 /nfs/dbraw/zinc/38/55/82/484385582.db2.gz YFPJPZXOXFDOOU-UHFFFAOYSA-N 0 3 368.438 -0.447 20 0 FBADHN CN1CCC(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377026162 484386913 /nfs/dbraw/zinc/38/69/13/484386913.db2.gz WBRNTHVKNLKSNN-INIZCTEOSA-N 0 3 352.435 -0.188 20 0 FBADHN CN1CCC(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377026163 484387348 /nfs/dbraw/zinc/38/73/48/484387348.db2.gz WBRNTHVKNLKSNN-MRXNPFEDSA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000377044311 484388253 /nfs/dbraw/zinc/38/82/53/484388253.db2.gz GZHYQOHERWGMLE-FGTMMUONSA-N 0 3 365.522 -0.065 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000377044312 484388295 /nfs/dbraw/zinc/38/82/95/484388295.db2.gz GZHYQOHERWGMLE-KURKYZTESA-N 0 3 365.522 -0.065 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000377044313 484388463 /nfs/dbraw/zinc/38/84/63/484388463.db2.gz GZHYQOHERWGMLE-KZNAEPCWSA-N 0 3 365.522 -0.065 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000377044314 484388656 /nfs/dbraw/zinc/38/86/56/484388656.db2.gz GZHYQOHERWGMLE-SQNIBIBYSA-N 0 3 365.522 -0.065 20 0 FBADHN COCCN(CCN(C)C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000377050013 484388909 /nfs/dbraw/zinc/38/89/09/484388909.db2.gz IWBSXXZFHKTIBJ-LSDHHAIUSA-N 0 3 357.451 -0.571 20 0 FBADHN CCN(CC)CC(=O)N1CCN(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000377059766 484389730 /nfs/dbraw/zinc/38/97/30/484389730.db2.gz DFLMWCBFIPFMGO-LSDHHAIUSA-N 0 3 358.508 -0.494 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000377061933 484390284 /nfs/dbraw/zinc/39/02/84/484390284.db2.gz MJIYKXNOGXQVMN-CEXWTWQISA-N 0 3 367.538 -0.355 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000377061934 484389269 /nfs/dbraw/zinc/38/92/69/484389269.db2.gz MJIYKXNOGXQVMN-GUDVDZBRSA-N 0 3 367.538 -0.355 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000377061935 484389560 /nfs/dbraw/zinc/38/95/60/484389560.db2.gz MJIYKXNOGXQVMN-QRVBRYPASA-N 0 3 367.538 -0.355 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000377061936 484390274 /nfs/dbraw/zinc/39/02/74/484390274.db2.gz MJIYKXNOGXQVMN-QYZOEREBSA-N 0 3 367.538 -0.355 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377073389 484390292 /nfs/dbraw/zinc/39/02/92/484390292.db2.gz RWSLPPQEAUVQHM-MSOLQXFVSA-N 0 3 365.522 -0.064 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377073391 484390158 /nfs/dbraw/zinc/39/01/58/484390158.db2.gz RWSLPPQEAUVQHM-QZTJIDSGSA-N 0 3 365.522 -0.064 20 0 FBADHN C[C@H]1C[C@H](N2CCOCC2)CN1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377073393 484390302 /nfs/dbraw/zinc/39/03/02/484390302.db2.gz RWSLPPQEAUVQHM-ROUUACIJSA-N 0 3 365.522 -0.064 20 0 FBADHN C[C@H]1C[C@@H](N2CCOCC2)CN1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377073395 484389695 /nfs/dbraw/zinc/38/96/95/484389695.db2.gz RWSLPPQEAUVQHM-ZWKOTPCHSA-N 0 3 365.522 -0.064 20 0 FBADHN O=C(CN1CCCC1)N1CCN(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000377074944 484390371 /nfs/dbraw/zinc/39/03/71/484390371.db2.gz ZLIXEMLKCZFEQR-LSDHHAIUSA-N 0 3 356.492 -0.740 20 0 FBADHN COCCN(C)CCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000377075391 484390190 /nfs/dbraw/zinc/39/01/90/484390190.db2.gz ZSSYNGCYMGTCNK-INIZCTEOSA-N 0 3 370.450 -0.704 20 0 FBADHN COCCN(C)CCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000377075392 484389981 /nfs/dbraw/zinc/38/99/81/484389981.db2.gz ZSSYNGCYMGTCNK-MRXNPFEDSA-N 0 3 370.450 -0.704 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000377078715 484390794 /nfs/dbraw/zinc/39/07/94/484390794.db2.gz OLMXXNTXHLKCAH-CYBMUJFWSA-N 0 3 362.496 -0.444 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000377081956 484390987 /nfs/dbraw/zinc/39/09/87/484390987.db2.gz VIZWXLGIILCFHH-DOMZBBRYSA-N 0 3 362.496 -0.445 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000377081958 484391582 /nfs/dbraw/zinc/39/15/82/484391582.db2.gz VIZWXLGIILCFHH-IUODEOHRSA-N 0 3 362.496 -0.445 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000377144363 484393136 /nfs/dbraw/zinc/39/31/36/484393136.db2.gz BPUCLOSKZPSFHD-AWEZNQCLSA-N 0 3 360.411 -0.174 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000377144364 484392421 /nfs/dbraw/zinc/39/24/21/484392421.db2.gz BPUCLOSKZPSFHD-CQSZACIVSA-N 0 3 360.411 -0.174 20 0 FBADHN CC(C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)S(C)(=O)=O ZINC000377148677 484393103 /nfs/dbraw/zinc/39/31/03/484393103.db2.gz ILWJMRWYXLMEPD-NEPJUHHUSA-N 0 3 360.457 -0.001 20 0 FBADHN CC(C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)S(C)(=O)=O ZINC000377148678 484392133 /nfs/dbraw/zinc/39/21/33/484392133.db2.gz ILWJMRWYXLMEPD-RYUDHWBXSA-N 0 3 360.457 -0.001 20 0 FBADHN CCc1nc(CN2C[C@@H]3CN(CCS(=O)(=O)N(C)C)C[C@@H]3C2)no1 ZINC000377156187 484393774 /nfs/dbraw/zinc/39/37/74/484393774.db2.gz YRJCKSXMBSPTKQ-BETUJISGSA-N 0 3 357.480 -0.113 20 0 FBADHN CCc1nc(CN2C[C@H]3CN(CCS(=O)(=O)N(C)C)C[C@@H]3C2)no1 ZINC000377156188 484393786 /nfs/dbraw/zinc/39/37/86/484393786.db2.gz YRJCKSXMBSPTKQ-CHWSQXEVSA-N 0 3 357.480 -0.113 20 0 FBADHN CCc1nc(CN2C[C@@H]3CN(CCS(=O)(=O)N(C)C)C[C@H]3C2)no1 ZINC000377156189 484394347 /nfs/dbraw/zinc/39/43/47/484394347.db2.gz YRJCKSXMBSPTKQ-STQMWFEESA-N 0 3 357.480 -0.113 20 0 FBADHN CN(CC(N)=O)C(=O)c1cccc(NC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000377163779 484394544 /nfs/dbraw/zinc/39/45/44/484394544.db2.gz DDDCHKPBKYMFDB-HNNXBMFYSA-N 0 3 359.430 -0.428 20 0 FBADHN CN(CC(N)=O)C(=O)c1cccc(NC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000377163780 484394580 /nfs/dbraw/zinc/39/45/80/484394580.db2.gz DDDCHKPBKYMFDB-OAHLLOKOSA-N 0 3 359.430 -0.428 20 0 FBADHN O=C1NC[C@@H]2[C@H]1CCCN2CCOCCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377217504 484395208 /nfs/dbraw/zinc/39/52/08/484395208.db2.gz ZKUJPBAWZRCYRV-KLHDSHLOSA-N 0 3 350.463 -0.576 20 0 FBADHN CCN(CCO)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000377231173 484397667 /nfs/dbraw/zinc/39/76/67/484397667.db2.gz AQVQFSJGMMVJSO-MQVJKMGUSA-N 0 3 369.510 -0.317 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000377231745 484396482 /nfs/dbraw/zinc/39/64/82/484396482.db2.gz DMEQXGVJPCXFNV-INIZCTEOSA-N 0 3 370.494 -0.655 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H]1CN(C(C)C)CCO1 ZINC000377231746 484397550 /nfs/dbraw/zinc/39/75/50/484397550.db2.gz DMEQXGVJPCXFNV-MRXNPFEDSA-N 0 3 370.494 -0.655 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC(=O)N2)CC1 ZINC000377251652 484396966 /nfs/dbraw/zinc/39/69/66/484396966.db2.gz AQIRJOXUJIDBNN-KBPBESRZSA-N 0 3 351.451 -0.397 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC(=O)N2)CC1 ZINC000377251657 484397711 /nfs/dbraw/zinc/39/77/11/484397711.db2.gz AQIRJOXUJIDBNN-KGLIPLIRSA-N 0 3 351.451 -0.397 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC(=O)N2)CC1 ZINC000377251659 484396571 /nfs/dbraw/zinc/39/65/71/484396571.db2.gz AQIRJOXUJIDBNN-UONOGXRCSA-N 0 3 351.451 -0.397 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC(=O)N2)CC1 ZINC000377251663 484397738 /nfs/dbraw/zinc/39/77/38/484397738.db2.gz AQIRJOXUJIDBNN-ZIAGYGMSSA-N 0 3 351.451 -0.397 20 0 FBADHN CCN1CCN(CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000377260887 484397250 /nfs/dbraw/zinc/39/72/50/484397250.db2.gz QICCXQRQFWQRAM-JKSUJKDBSA-N 0 3 368.478 -0.854 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2(O)CCOCC2)CC1 ZINC000377266916 484397157 /nfs/dbraw/zinc/39/71/57/484397157.db2.gz SMYSOOHCMVMEQC-HNNXBMFYSA-N 0 3 368.478 -0.134 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2(O)CCOCC2)CC1 ZINC000377266917 484397056 /nfs/dbraw/zinc/39/70/56/484397056.db2.gz SMYSOOHCMVMEQC-OAHLLOKOSA-N 0 3 368.478 -0.134 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC=C(c3ccnn3C)CC2)n1 ZINC000377285126 484097820 /nfs/dbraw/zinc/09/78/20/484097820.db2.gz GXMPKCSVOUCLMG-UHFFFAOYSA-N 0 3 371.445 0.433 20 0 FBADHN CN(C)CCN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000377288186 484398946 /nfs/dbraw/zinc/39/89/46/484398946.db2.gz UOOXHLZLYVEBHQ-GXTWGEPZSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000377288187 484398289 /nfs/dbraw/zinc/39/82/89/484398289.db2.gz UOOXHLZLYVEBHQ-JSGCOSHPSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000377288188 484398278 /nfs/dbraw/zinc/39/82/78/484398278.db2.gz UOOXHLZLYVEBHQ-OCCSQVGLSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 ZINC000377288189 484398774 /nfs/dbraw/zinc/39/87/74/484398774.db2.gz UOOXHLZLYVEBHQ-TZMCWYRMSA-N 0 3 357.476 -0.425 20 0 FBADHN CN1CCN(C[C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000377304567 484398526 /nfs/dbraw/zinc/39/85/26/484398526.db2.gz OFLVAVZHTIQXNF-KBPBESRZSA-N 0 3 351.451 -0.539 20 0 FBADHN CN1CCN(C[C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000377304568 484399022 /nfs/dbraw/zinc/39/90/22/484399022.db2.gz OFLVAVZHTIQXNF-KGLIPLIRSA-N 0 3 351.451 -0.539 20 0 FBADHN CN1CCN(C[C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)CC1 ZINC000377304569 484398196 /nfs/dbraw/zinc/39/81/96/484398196.db2.gz OFLVAVZHTIQXNF-UONOGXRCSA-N 0 3 351.451 -0.539 20 0 FBADHN CN1CCN(C[C@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)CC1 ZINC000377304570 484398385 /nfs/dbraw/zinc/39/83/85/484398385.db2.gz OFLVAVZHTIQXNF-ZIAGYGMSSA-N 0 3 351.451 -0.539 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000377313418 484398258 /nfs/dbraw/zinc/39/82/58/484398258.db2.gz DWTZUOWEZMHLEU-KRWDZBQOSA-N 0 3 365.434 -0.456 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000377313419 484399091 /nfs/dbraw/zinc/39/90/91/484399091.db2.gz DWTZUOWEZMHLEU-QGZVFWFLSA-N 0 3 365.434 -0.456 20 0 FBADHN CN(C(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1)[C@@H]1COC[C@H]1O ZINC000377324088 484398793 /nfs/dbraw/zinc/39/87/93/484398793.db2.gz WFTWUZDGJONOLP-HUUCEWRRSA-N 0 3 365.434 -0.474 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC000377324882 484096506 /nfs/dbraw/zinc/09/65/06/484096506.db2.gz RNBDZJFDLADWEJ-KBPBESRZSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC000377324884 484096489 /nfs/dbraw/zinc/09/64/89/484096489.db2.gz RNBDZJFDLADWEJ-KGLIPLIRSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC000377324886 484096660 /nfs/dbraw/zinc/09/66/60/484096660.db2.gz RNBDZJFDLADWEJ-UONOGXRCSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC000377324888 484097766 /nfs/dbraw/zinc/09/77/66/484097766.db2.gz RNBDZJFDLADWEJ-ZIAGYGMSSA-N 0 3 365.434 -0.210 20 0 FBADHN CCN(CCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C1CC1 ZINC000377329819 484399925 /nfs/dbraw/zinc/39/99/25/484399925.db2.gz JGOVGPIMOBWNIY-UHFFFAOYSA-N 0 3 361.512 -0.006 20 0 FBADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000377331950 484382694 /nfs/dbraw/zinc/38/26/94/484382694.db2.gz CCGAQDKGTYCUQP-UNPMEBSKSA-N 0 3 361.446 0.265 20 0 FBADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000377331951 484383019 /nfs/dbraw/zinc/38/30/19/484383019.db2.gz CCGAQDKGTYCUQP-XNHWPECASA-N 0 3 361.446 0.265 20 0 FBADHN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)C(=O)Nc4ccn(CCN(C)C)n4)[C@H]1[C@H]3C2 ZINC000377331952 484373845 /nfs/dbraw/zinc/37/38/45/484373845.db2.gz CCGAQDKGTYCUQP-YOPIWALVSA-N 0 3 361.446 0.265 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCOc3cc(O)ccc3C2)n1 ZINC000377333387 484098753 /nfs/dbraw/zinc/09/87/53/484098753.db2.gz CRBKJPXAKSWXPL-UHFFFAOYSA-N 0 3 373.413 0.510 20 0 FBADHN CN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000377334546 484400111 /nfs/dbraw/zinc/40/01/11/484400111.db2.gz CJJRIPLRZLUGJH-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN(C)CCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377344909 484400172 /nfs/dbraw/zinc/40/01/72/484400172.db2.gz JRRVBWJWWSKCSF-UHFFFAOYSA-N 0 3 365.500 -0.912 20 0 FBADHN CCN1CCN(CCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000377356223 484401518 /nfs/dbraw/zinc/40/15/18/484401518.db2.gz FYQHADMUXCMLLR-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCN(CCNC(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)CC1 ZINC000377359664 484401296 /nfs/dbraw/zinc/40/12/96/484401296.db2.gz YNGCTZOUQLWJPK-HUUCEWRRSA-N 0 3 352.439 -0.768 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCN(CCN(C)C)CC2)nn1 ZINC000377366645 484401023 /nfs/dbraw/zinc/40/10/23/484401023.db2.gz HHBXQHVDRRFEAC-HZPDHXFCSA-N 0 3 366.466 -0.426 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)nn1 ZINC000377380087 484402281 /nfs/dbraw/zinc/40/22/81/484402281.db2.gz BUOCPYXKZRYJGY-FVQBIDKESA-N 0 3 366.466 -0.380 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)nn1 ZINC000377380089 484402727 /nfs/dbraw/zinc/40/27/27/484402727.db2.gz BUOCPYXKZRYJGY-NUEKZKHPSA-N 0 3 366.466 -0.380 20 0 FBADHN C[C@@H]1CN(C(=O)NCc2ccncc2OCCN(C)C)C[C@@H](C(N)=O)O1 ZINC000377380816 484402409 /nfs/dbraw/zinc/40/24/09/484402409.db2.gz UFACRAKCNVHIOJ-DOMZBBRYSA-N 0 3 365.434 -0.194 20 0 FBADHN C[C@@H]1CN(C(=O)NCc2ccncc2OCCN(C)C)C[C@H](C(N)=O)O1 ZINC000377380819 484402642 /nfs/dbraw/zinc/40/26/42/484402642.db2.gz UFACRAKCNVHIOJ-IUODEOHRSA-N 0 3 365.434 -0.194 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)NCc2ccncc2OCCN(C)C)CCO1 ZINC000377385392 484402337 /nfs/dbraw/zinc/40/23/37/484402337.db2.gz RGSBTZHZYXNYIW-HNNXBMFYSA-N 0 3 365.434 -0.322 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)NCc2ccncc2OCCN(C)C)CCO1 ZINC000377385395 484402868 /nfs/dbraw/zinc/40/28/68/484402868.db2.gz RGSBTZHZYXNYIW-OAHLLOKOSA-N 0 3 365.434 -0.322 20 0 FBADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000377402386 484403233 /nfs/dbraw/zinc/40/32/33/484403233.db2.gz QRVRDVKTQNLPCR-INIZCTEOSA-N 0 3 372.535 -0.057 20 0 FBADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000377402387 484403007 /nfs/dbraw/zinc/40/30/07/484403007.db2.gz QRVRDVKTQNLPCR-MRXNPFEDSA-N 0 3 372.535 -0.057 20 0 FBADHN O=C(NCCNC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO)c1ccn[nH]1 ZINC000377408776 484403996 /nfs/dbraw/zinc/40/39/96/484403996.db2.gz GTVWDYVJNLKQRL-KBPBESRZSA-N 0 3 364.450 -0.230 20 0 FBADHN O=C(NCCNC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO)c1ccn[nH]1 ZINC000377408777 484404948 /nfs/dbraw/zinc/40/49/48/484404948.db2.gz GTVWDYVJNLKQRL-KGLIPLIRSA-N 0 3 364.450 -0.230 20 0 FBADHN O=C(NCCNC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO)c1ccn[nH]1 ZINC000377408778 484404395 /nfs/dbraw/zinc/40/43/95/484404395.db2.gz GTVWDYVJNLKQRL-UONOGXRCSA-N 0 3 364.450 -0.230 20 0 FBADHN O=C(NCCNC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO)c1ccn[nH]1 ZINC000377408779 484404089 /nfs/dbraw/zinc/40/40/89/484404089.db2.gz GTVWDYVJNLKQRL-ZIAGYGMSSA-N 0 3 364.450 -0.230 20 0 FBADHN CC(C)(C)NC(=O)CN1CCCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000377409174 484404568 /nfs/dbraw/zinc/40/45/68/484404568.db2.gz BCBSUKMTLBSKLO-MRXNPFEDSA-N 0 3 356.511 -0.398 20 0 FBADHN CN1CCC(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000377414113 484403926 /nfs/dbraw/zinc/40/39/26/484403926.db2.gz WBYYTMBDDOTVIL-GFCCVEGCSA-N 0 3 356.448 -0.638 20 0 FBADHN CN1CCC(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000377414114 484404599 /nfs/dbraw/zinc/40/45/99/484404599.db2.gz WBYYTMBDDOTVIL-LBPRGKRZSA-N 0 3 356.448 -0.638 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc3[C@@H]2O)n1 ZINC000377415480 484103966 /nfs/dbraw/zinc/10/39/66/484103966.db2.gz BYDIBHOLJBOJPM-BBRMVZONSA-N 0 3 373.413 -0.006 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)n1 ZINC000377415481 484101007 /nfs/dbraw/zinc/10/10/07/484101007.db2.gz BYDIBHOLJBOJPM-CJNGLKHVSA-N 0 3 373.413 -0.006 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2COc3ccccc3[C@H]2O)n1 ZINC000377415482 484101824 /nfs/dbraw/zinc/10/18/24/484101824.db2.gz BYDIBHOLJBOJPM-CZUORRHYSA-N 0 3 373.413 -0.006 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc3[C@H]2O)n1 ZINC000377415484 484102945 /nfs/dbraw/zinc/10/29/45/484102945.db2.gz BYDIBHOLJBOJPM-XJKSGUPXSA-N 0 3 373.413 -0.006 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(C(=O)NC2CCN(CCN(C)C)CC2)nn1 ZINC000377420790 484404526 /nfs/dbraw/zinc/40/45/26/484404526.db2.gz SBROSDKKDOHIIN-HZPDHXFCSA-N 0 3 366.466 -0.380 20 0 FBADHN CCC[C@]1(CO)CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000377425699 484318264 /nfs/dbraw/zinc/31/82/64/484318264.db2.gz GHLAGGVOFAKZBW-KRWDZBQOSA-N 0 3 351.451 0.394 20 0 FBADHN CCC[C@@]1(CO)CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000377425704 484316259 /nfs/dbraw/zinc/31/62/59/484316259.db2.gz GHLAGGVOFAKZBW-QGZVFWFLSA-N 0 3 351.451 0.394 20 0 FBADHN CN(C)CCN1CCC(NC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000377425896 484404891 /nfs/dbraw/zinc/40/48/91/484404891.db2.gz KKQAOSZWHAQOEY-UHFFFAOYSA-N 0 3 364.494 -0.087 20 0 FBADHN CCN1CCN(CCNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377426289 484405101 /nfs/dbraw/zinc/40/51/01/484405101.db2.gz LWXPTFHUKSUEGL-UHFFFAOYSA-N 0 3 365.478 -0.005 20 0 FBADHN CCc1nc(CN2C[C@H]3CN(Cc4cc(=O)n(C)c(=O)n4C)C[C@H]3C2)no1 ZINC000377430100 484404422 /nfs/dbraw/zinc/40/44/22/484404422.db2.gz CXYXMSSTALJMMC-BETUJISGSA-N 0 3 374.445 -0.407 20 0 FBADHN CCc1nc(CN2C[C@H]3CN(Cc4cc(=O)n(C)c(=O)n4C)C[C@@H]3C2)no1 ZINC000377430474 484403894 /nfs/dbraw/zinc/40/38/94/484403894.db2.gz CXYXMSSTALJMMC-CHWSQXEVSA-N 0 3 374.445 -0.407 20 0 FBADHN CCc1nc(CN2C[C@@H]3CN(Cc4cc(=O)n(C)c(=O)n4C)C[C@H]3C2)no1 ZINC000377430476 484404696 /nfs/dbraw/zinc/40/46/96/484404696.db2.gz CXYXMSSTALJMMC-STQMWFEESA-N 0 3 374.445 -0.407 20 0 FBADHN C[C@H]1CN(C2CCN(CC(=O)NCC(=O)N3CCCC3)CC2)CCO1 ZINC000377446166 484406493 /nfs/dbraw/zinc/40/64/93/484406493.db2.gz VSIUTKMAXDIAFU-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H]1CN(C2CCN(CC(=O)NCC(=O)N3CCCC3)CC2)CCO1 ZINC000377446167 484406732 /nfs/dbraw/zinc/40/67/32/484406732.db2.gz VSIUTKMAXDIAFU-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCN(CC2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000377453604 484406475 /nfs/dbraw/zinc/40/64/75/484406475.db2.gz LGBGQUALULSBLR-UHFFFAOYSA-N 0 3 365.478 -0.197 20 0 FBADHN CN(CC(=O)NC[C@H]1CN2CCC[C@H]2CO1)S(=O)(=O)c1cccnc1 ZINC000377469587 484408214 /nfs/dbraw/zinc/40/82/14/484408214.db2.gz GGPCZOXWWBLBQP-KBPBESRZSA-N 0 3 368.459 -0.319 20 0 FBADHN CN(CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)S(=O)(=O)c1cccnc1 ZINC000377469592 484408174 /nfs/dbraw/zinc/40/81/74/484408174.db2.gz GGPCZOXWWBLBQP-KGLIPLIRSA-N 0 3 368.459 -0.319 20 0 FBADHN CN(CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)S(=O)(=O)c1cccnc1 ZINC000377469594 484407428 /nfs/dbraw/zinc/40/74/28/484407428.db2.gz GGPCZOXWWBLBQP-ZIAGYGMSSA-N 0 3 368.459 -0.319 20 0 FBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000377482228 484407649 /nfs/dbraw/zinc/40/76/49/484407649.db2.gz TXILRRUPNRUDQZ-KBPBESRZSA-N 0 3 366.443 -0.537 20 0 FBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000377482230 484407925 /nfs/dbraw/zinc/40/79/25/484407925.db2.gz TXILRRUPNRUDQZ-KGLIPLIRSA-N 0 3 366.443 -0.537 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000377482231 484407815 /nfs/dbraw/zinc/40/78/15/484407815.db2.gz TXILRRUPNRUDQZ-ZIAGYGMSSA-N 0 3 366.443 -0.537 20 0 FBADHN Cn1cccc1C(=O)NC1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000377488240 484407739 /nfs/dbraw/zinc/40/77/39/484407739.db2.gz RELNAOXBRXVNIG-INIZCTEOSA-N 0 3 350.463 -0.088 20 0 FBADHN Cn1cccc1C(=O)NC1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000377488241 484407900 /nfs/dbraw/zinc/40/79/00/484407900.db2.gz RELNAOXBRXVNIG-MRXNPFEDSA-N 0 3 350.463 -0.088 20 0 FBADHN Cn1c(=O)c2cc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cnc2n(C)c1=O ZINC000377509351 484408320 /nfs/dbraw/zinc/40/83/20/484408320.db2.gz BSQHBBPOUIVGDR-CHWSQXEVSA-N 0 3 373.413 -0.775 20 0 FBADHN Cn1c(=O)c2cc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cnc2n(C)c1=O ZINC000377509352 484408434 /nfs/dbraw/zinc/40/84/34/484408434.db2.gz BSQHBBPOUIVGDR-OLZOCXBDSA-N 0 3 373.413 -0.775 20 0 FBADHN Cn1c(=O)c2cc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cnc2n(C)c1=O ZINC000377509353 484407534 /nfs/dbraw/zinc/40/75/34/484407534.db2.gz BSQHBBPOUIVGDR-QWHCGFSZSA-N 0 3 373.413 -0.775 20 0 FBADHN Cn1c(=O)c2cc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cnc2n(C)c1=O ZINC000377509354 484409879 /nfs/dbraw/zinc/40/98/79/484409879.db2.gz BSQHBBPOUIVGDR-STQMWFEESA-N 0 3 373.413 -0.775 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(C2(C(N)=O)CCCCC2)CC1 ZINC000377530348 484409086 /nfs/dbraw/zinc/40/90/86/484409086.db2.gz OCJTZLSQEWAUIM-CYBMUJFWSA-N 0 3 354.451 -0.401 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C2(C(N)=O)CCCCC2)CC1 ZINC000377530350 484409135 /nfs/dbraw/zinc/40/91/35/484409135.db2.gz OCJTZLSQEWAUIM-ZDUSSCGKSA-N 0 3 354.451 -0.401 20 0 FBADHN CN(C)CCN1CCCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000377530711 484409557 /nfs/dbraw/zinc/40/95/57/484409557.db2.gz DDEUTPIQFCAXQT-UHFFFAOYSA-N 0 3 372.535 -0.326 20 0 FBADHN CN(C)CCN1CCCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000377531253 484409974 /nfs/dbraw/zinc/40/99/74/484409974.db2.gz ILFHSFHJBGVZNN-HNNXBMFYSA-N 0 3 360.524 -0.246 20 0 FBADHN CN(C)CCN1CCCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000377531256 484410011 /nfs/dbraw/zinc/41/00/11/484410011.db2.gz ILFHSFHJBGVZNN-OAHLLOKOSA-N 0 3 360.524 -0.246 20 0 FBADHN CN(C)CCN1CCCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000377532526 484409050 /nfs/dbraw/zinc/40/90/50/484409050.db2.gz XPQLZOLARVBOFR-GOSISDBHSA-N 0 3 365.478 -0.197 20 0 FBADHN CN(C)CCN1CCCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000377532527 484409940 /nfs/dbraw/zinc/40/99/40/484409940.db2.gz XPQLZOLARVBOFR-SFHVURJKSA-N 0 3 365.478 -0.197 20 0 FBADHN COCCn1nc(C(=O)N2CCCN(CCN(C)C)CC2)ccc1=O ZINC000377537392 484409890 /nfs/dbraw/zinc/40/98/90/484409890.db2.gz JRIYRMPQYRUBND-UHFFFAOYSA-N 0 3 351.451 -0.401 20 0 FBADHN CN(C)CCN1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000377537584 484409700 /nfs/dbraw/zinc/40/97/00/484409700.db2.gz MGAKKXJFDPVFKN-VOTSOKGWSA-N 0 3 363.462 -0.807 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000377563605 484411330 /nfs/dbraw/zinc/41/13/30/484411330.db2.gz LOGCSBLJDBTKGH-CVEARBPZSA-N 0 3 370.494 -0.480 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000377563607 484411484 /nfs/dbraw/zinc/41/14/84/484411484.db2.gz LOGCSBLJDBTKGH-HOTGVXAUSA-N 0 3 370.494 -0.480 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000377563609 484411500 /nfs/dbraw/zinc/41/15/00/484411500.db2.gz LOGCSBLJDBTKGH-HZPDHXFCSA-N 0 3 370.494 -0.480 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000377563610 484411358 /nfs/dbraw/zinc/41/13/58/484411358.db2.gz LOGCSBLJDBTKGH-JKSUJKDBSA-N 0 3 370.494 -0.480 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCCN(c2nccc(OC)n2)CC1 ZINC000377564773 484411583 /nfs/dbraw/zinc/41/15/83/484411583.db2.gz QLXVRCFIKXUQJU-GFCCVEGCSA-N 0 3 351.407 -0.196 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCCN(c2nccc(OC)n2)CC1 ZINC000377564775 484410698 /nfs/dbraw/zinc/41/06/98/484410698.db2.gz QLXVRCFIKXUQJU-LBPRGKRZSA-N 0 3 351.407 -0.196 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000377565560 484411043 /nfs/dbraw/zinc/41/10/43/484411043.db2.gz SIRATZBWCKROHV-AWEZNQCLSA-N 0 3 373.417 -0.409 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000377565561 484410716 /nfs/dbraw/zinc/41/07/16/484410716.db2.gz SIRATZBWCKROHV-CQSZACIVSA-N 0 3 373.417 -0.409 20 0 FBADHN CC(C)c1nnnn1CC(=O)N1CCN(CCN2CCCOCC2)CC1 ZINC000377565723 484410814 /nfs/dbraw/zinc/41/08/14/484410814.db2.gz KNYDCTLGDVGVPT-UHFFFAOYSA-N 0 3 365.482 -0.337 20 0 FBADHN CCN1CCO[C@@H](CN2CCN(C(=O)[C@@H](N)CCC(=O)OC)CC2)C1 ZINC000377566933 484410492 /nfs/dbraw/zinc/41/04/92/484410492.db2.gz WJTADAHFDOEZBR-CABCVRRESA-N 0 3 356.467 -0.868 20 0 FBADHN CCN1CCO[C@H](CN2CCN(C(=O)[C@@H](N)CCC(=O)OC)CC2)C1 ZINC000377566934 484411133 /nfs/dbraw/zinc/41/11/33/484411133.db2.gz WJTADAHFDOEZBR-GJZGRUSLSA-N 0 3 356.467 -0.868 20 0 FBADHN CCN1CCO[C@@H](CN2CCN(C(=O)[C@H](N)CCC(=O)OC)CC2)C1 ZINC000377566935 484410831 /nfs/dbraw/zinc/41/08/31/484410831.db2.gz WJTADAHFDOEZBR-HUUCEWRRSA-N 0 3 356.467 -0.868 20 0 FBADHN CCN1CCO[C@H](CN2CCN(C(=O)[C@H](N)CCC(=O)OC)CC2)C1 ZINC000377566936 484411410 /nfs/dbraw/zinc/41/14/10/484411410.db2.gz WJTADAHFDOEZBR-LSDHHAIUSA-N 0 3 356.467 -0.868 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](N)CCC(=O)OC)CC1 ZINC000377569240 484410983 /nfs/dbraw/zinc/41/09/83/484410983.db2.gz AQSVRKQAHJDJQI-AWEZNQCLSA-N 0 3 356.467 -0.330 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](N)CCC(=O)OC)CC1 ZINC000377569244 484411430 /nfs/dbraw/zinc/41/14/30/484411430.db2.gz AQSVRKQAHJDJQI-CQSZACIVSA-N 0 3 356.467 -0.330 20 0 FBADHN CCNC(=O)NC(=O)CN(C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377574189 484412817 /nfs/dbraw/zinc/41/28/17/484412817.db2.gz FJGJNOQSYCISKZ-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN COC(=O)CCNC(=O)CN(C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377576102 484413343 /nfs/dbraw/zinc/41/33/43/484413343.db2.gz WIXXGNSPABLYEZ-UHFFFAOYSA-N 0 3 368.478 -0.316 20 0 FBADHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)C1=NNC(=O)CC1 ZINC000377589816 484412774 /nfs/dbraw/zinc/41/27/74/484412774.db2.gz FQPNNEWWUASZRF-UHFFFAOYSA-N 0 3 361.450 -0.247 20 0 FBADHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H](C)NC(N)=O ZINC000377589851 484413253 /nfs/dbraw/zinc/41/32/53/484413253.db2.gz GADQCODTAHSRSI-GFCCVEGCSA-N 0 3 351.455 -0.457 20 0 FBADHN COC(=O)NCC(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000377589926 484412145 /nfs/dbraw/zinc/41/21/45/484412145.db2.gz GOAVUANRBTYOCI-UHFFFAOYSA-N 0 3 352.439 -0.157 20 0 FBADHN CNC(=O)NC(=O)CCN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000377602754 484414481 /nfs/dbraw/zinc/41/44/81/484414481.db2.gz QMRBKGAIPCSMCQ-UHFFFAOYSA-N 0 3 353.467 -0.292 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000377614906 484414457 /nfs/dbraw/zinc/41/44/57/484414457.db2.gz LDTZMLVHWAVANB-GOSISDBHSA-N 0 3 365.478 -0.197 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000377614907 484414868 /nfs/dbraw/zinc/41/48/68/484414868.db2.gz LDTZMLVHWAVANB-SFHVURJKSA-N 0 3 365.478 -0.197 20 0 FBADHN COC(=O)c1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cn1C ZINC000377629761 484416046 /nfs/dbraw/zinc/41/60/46/484416046.db2.gz SPRJEGYYVHXHJQ-HNNXBMFYSA-N 0 3 364.446 -0.166 20 0 FBADHN COC(=O)c1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cn1C ZINC000377629766 484416538 /nfs/dbraw/zinc/41/65/38/484416538.db2.gz SPRJEGYYVHXHJQ-OAHLLOKOSA-N 0 3 364.446 -0.166 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(c2nnnn2C)CC1 ZINC000377640177 484415796 /nfs/dbraw/zinc/41/57/96/484415796.db2.gz MFAIMUNJZHUCKV-AWEZNQCLSA-N 0 3 366.470 -0.411 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NC1CCN(c2nnnn2C)CC1 ZINC000377640179 484415548 /nfs/dbraw/zinc/41/55/48/484415548.db2.gz MFAIMUNJZHUCKV-CQSZACIVSA-N 0 3 366.470 -0.411 20 0 FBADHN CN(CC(=O)N(C)CC(=O)N1CCOCC1)C[C@H]1CCn2ccnc2C1 ZINC000377649268 484416657 /nfs/dbraw/zinc/41/66/57/484416657.db2.gz VQJPTKBRYUVPEH-HNNXBMFYSA-N 0 3 363.462 -0.306 20 0 FBADHN CN(CC(=O)N(C)CC(=O)N1CCOCC1)C[C@@H]1CCn2ccnc2C1 ZINC000377649274 484415816 /nfs/dbraw/zinc/41/58/16/484415816.db2.gz VQJPTKBRYUVPEH-OAHLLOKOSA-N 0 3 363.462 -0.306 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC2CCN(c3ncccn3)CC2)CC1=O ZINC000377650106 484416670 /nfs/dbraw/zinc/41/66/70/484416670.db2.gz AALVCFXIHSRATG-AWEZNQCLSA-N 0 3 360.462 -0.028 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC2CCN(c3ncccn3)CC2)CC1=O ZINC000377650107 484415903 /nfs/dbraw/zinc/41/59/03/484415903.db2.gz AALVCFXIHSRATG-CQSZACIVSA-N 0 3 360.462 -0.028 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000377653323 484418163 /nfs/dbraw/zinc/41/81/63/484418163.db2.gz YWQBUPAXHPKBLC-AWEZNQCLSA-N 0 3 374.507 -0.401 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000377653324 484417462 /nfs/dbraw/zinc/41/74/62/484417462.db2.gz YWQBUPAXHPKBLC-CQSZACIVSA-N 0 3 374.507 -0.401 20 0 FBADHN CNC(=O)c1cc(O[C@@H]2CCN(C(=O)C(C)S(C)(=O)=O)C2)ccn1 ZINC000377654547 484417565 /nfs/dbraw/zinc/41/75/65/484417565.db2.gz JQJRUEOZKKUGGV-CMPLNLGQSA-N 0 3 355.416 -0.146 20 0 FBADHN CNC(=O)c1cc(O[C@H]2CCN(C(=O)C(C)S(C)(=O)=O)C2)ccn1 ZINC000377654548 484418125 /nfs/dbraw/zinc/41/81/25/484418125.db2.gz JQJRUEOZKKUGGV-JQWIXIFHSA-N 0 3 355.416 -0.146 20 0 FBADHN CNC(=O)c1cc(O[C@H]2CCN(C(=O)C(C)S(C)(=O)=O)C2)ccn1 ZINC000377654549 484417707 /nfs/dbraw/zinc/41/77/07/484417707.db2.gz JQJRUEOZKKUGGV-PWSUYJOCSA-N 0 3 355.416 -0.146 20 0 FBADHN CNC(=O)c1cc(O[C@@H]2CCN(C(=O)C(C)S(C)(=O)=O)C2)ccn1 ZINC000377654550 484417984 /nfs/dbraw/zinc/41/79/84/484417984.db2.gz JQJRUEOZKKUGGV-ZYHUDNBSSA-N 0 3 355.416 -0.146 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377657441 484417241 /nfs/dbraw/zinc/41/72/41/484417241.db2.gz UVGLQEBRZLTVAA-ILXRZTDVSA-N 0 3 358.446 -0.418 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377657448 484417823 /nfs/dbraw/zinc/41/78/23/484417823.db2.gz UVGLQEBRZLTVAA-KFWWJZLASA-N 0 3 358.446 -0.418 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377657449 484418374 /nfs/dbraw/zinc/41/83/74/484418374.db2.gz UVGLQEBRZLTVAA-QLFBSQMISA-N 0 3 358.446 -0.418 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377657450 484417661 /nfs/dbraw/zinc/41/76/61/484417661.db2.gz UVGLQEBRZLTVAA-RBSFLKMASA-N 0 3 358.446 -0.418 20 0 FBADHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000377679817 484420135 /nfs/dbraw/zinc/42/01/35/484420135.db2.gz PJAYABGNHAPVRC-INIZCTEOSA-N 0 3 367.429 -0.444 20 0 FBADHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000377679818 484419668 /nfs/dbraw/zinc/41/96/68/484419668.db2.gz PJAYABGNHAPVRC-MRXNPFEDSA-N 0 3 367.429 -0.444 20 0 FBADHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)N(C)CC(=O)N1CCOCC1 ZINC000377704932 484419767 /nfs/dbraw/zinc/41/97/67/484419767.db2.gz OGDFBMODVLUBDQ-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)N(C)CC(=O)N1CCOCC1 ZINC000377704933 484419943 /nfs/dbraw/zinc/41/99/43/484419943.db2.gz OGDFBMODVLUBDQ-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)N(C)CC(=O)N1CCOCC1 ZINC000377704935 484420078 /nfs/dbraw/zinc/42/00/78/484420078.db2.gz OGDFBMODVLUBDQ-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)N(C)CC(=O)N1CCOCC1 ZINC000377704937 484419007 /nfs/dbraw/zinc/41/90/07/484419007.db2.gz OGDFBMODVLUBDQ-JKSUJKDBSA-N 0 3 352.479 -0.138 20 0 FBADHN CC(C)N(C)CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000377726911 484421476 /nfs/dbraw/zinc/42/14/76/484421476.db2.gz YLUSYBKNPUWTDL-AWEZNQCLSA-N 0 3 362.496 -0.516 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000377726912 484421648 /nfs/dbraw/zinc/42/16/48/484421648.db2.gz YLUSYBKNPUWTDL-CQSZACIVSA-N 0 3 362.496 -0.516 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727518 484420832 /nfs/dbraw/zinc/42/08/32/484420832.db2.gz ROVNBUCPOKAWEX-ARFHVFGLSA-N 0 3 352.479 -0.473 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727519 484420986 /nfs/dbraw/zinc/42/09/86/484420986.db2.gz ROVNBUCPOKAWEX-BZUAXINKSA-N 0 3 352.479 -0.473 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727520 484421687 /nfs/dbraw/zinc/42/16/87/484421687.db2.gz ROVNBUCPOKAWEX-OAGGEKHMSA-N 0 3 352.479 -0.473 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727521 484421265 /nfs/dbraw/zinc/42/12/65/484421265.db2.gz ROVNBUCPOKAWEX-XHSDSOJGSA-N 0 3 352.479 -0.473 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1C(N)=O ZINC000377751390 484422982 /nfs/dbraw/zinc/42/29/82/484422982.db2.gz XCNQAPDJHXGVJH-CYBMUJFWSA-N 0 3 369.491 -0.476 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1C(N)=O ZINC000377751392 484422906 /nfs/dbraw/zinc/42/29/06/484422906.db2.gz XCNQAPDJHXGVJH-ZDUSSCGKSA-N 0 3 369.491 -0.476 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1C ZINC000377756648 484422446 /nfs/dbraw/zinc/42/24/46/484422446.db2.gz BRYHFNOGBPSVFU-CHWSQXEVSA-N 0 3 355.464 -0.535 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1C ZINC000377756649 484422204 /nfs/dbraw/zinc/42/22/04/484422204.db2.gz BRYHFNOGBPSVFU-OLZOCXBDSA-N 0 3 355.464 -0.535 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1C ZINC000377756650 484423244 /nfs/dbraw/zinc/42/32/44/484423244.db2.gz BRYHFNOGBPSVFU-QWHCGFSZSA-N 0 3 355.464 -0.535 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cn1C ZINC000377756651 484423203 /nfs/dbraw/zinc/42/32/03/484423203.db2.gz BRYHFNOGBPSVFU-STQMWFEESA-N 0 3 355.464 -0.535 20 0 FBADHN COCCN1CC[C@@H](NC(=O)NC2CCN(c3nnnn3C)CC2)C1 ZINC000377757788 484423325 /nfs/dbraw/zinc/42/33/25/484423325.db2.gz BDAWBRNBFLUTRG-CYBMUJFWSA-N 0 3 352.443 -0.801 20 0 FBADHN COCCN1CC[C@H](NC(=O)NC2CCN(c3nnnn3C)CC2)C1 ZINC000377757789 484422726 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COCCNCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000378332208 484451982 /nfs/dbraw/zinc/45/19/82/484451982.db2.gz LWIBRUSMPRSAMG-AWEZNQCLSA-N 0 3 357.432 -0.434 20 0 FBADHN COCCNCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000378332209 484452935 /nfs/dbraw/zinc/45/29/35/484452935.db2.gz LWIBRUSMPRSAMG-CQSZACIVSA-N 0 3 357.432 -0.434 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000378332870 484453588 /nfs/dbraw/zinc/45/35/88/484453588.db2.gz NGJXNLFTTGVLNF-CHWSQXEVSA-N 0 3 370.450 -0.393 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000378332875 484454021 /nfs/dbraw/zinc/45/40/21/484454021.db2.gz NGJXNLFTTGVLNF-OLZOCXBDSA-N 0 3 370.450 -0.393 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000378332879 484453253 /nfs/dbraw/zinc/45/32/53/484453253.db2.gz NGJXNLFTTGVLNF-QWHCGFSZSA-N 0 3 370.450 -0.393 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000378332884 484454093 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Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000378349595 484453101 /nfs/dbraw/zinc/45/31/01/484453101.db2.gz KQBSICHXLKQATA-UHFFFAOYSA-N 0 3 355.464 -0.215 20 0 FBADHN CCOC(=O)CN(C)C(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000378355481 484453999 /nfs/dbraw/zinc/45/39/99/484453999.db2.gz OHOBZPQTNPVZHT-AWEZNQCLSA-N 0 3 354.451 -0.578 20 0 FBADHN CCOC(=O)CN(C)C(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000378355482 484453121 /nfs/dbraw/zinc/45/31/21/484453121.db2.gz OHOBZPQTNPVZHT-CQSZACIVSA-N 0 3 354.451 -0.578 20 0 FBADHN O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)[C@@H]1CN2CCN1CCC2 ZINC000378356815 484454044 /nfs/dbraw/zinc/45/40/44/484454044.db2.gz ATVXDAFTKRJJIZ-CABCVRRESA-N 0 3 357.414 -0.235 20 0 FBADHN O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)[C@@H]1CN2CCN1CCC2 ZINC000378356820 484453380 /nfs/dbraw/zinc/45/33/80/484453380.db2.gz ATVXDAFTKRJJIZ-GJZGRUSLSA-N 0 3 357.414 -0.235 20 0 FBADHN O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)[C@H]1CN2CCN1CCC2 ZINC000378356822 484453089 /nfs/dbraw/zinc/45/30/89/484453089.db2.gz ATVXDAFTKRJJIZ-HUUCEWRRSA-N 0 3 357.414 -0.235 20 0 FBADHN O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)[C@H]1CN2CCN1CCC2 ZINC000378356824 484453772 /nfs/dbraw/zinc/45/37/72/484453772.db2.gz ATVXDAFTKRJJIZ-LSDHHAIUSA-N 0 3 357.414 -0.235 20 0 FBADHN CN1CCN([C@H]2CCCCN(C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC000378364874 484452843 /nfs/dbraw/zinc/45/28/43/484452843.db2.gz FWRBZVKTBXPUKO-HNNXBMFYSA-N 0 3 365.478 -0.053 20 0 FBADHN CN1CCN([C@@H]2CCCCN(C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC000378364875 484453330 /nfs/dbraw/zinc/45/33/30/484453330.db2.gz FWRBZVKTBXPUKO-OAHLLOKOSA-N 0 3 365.478 -0.053 20 0 FBADHN C[C@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CCN1C1CCN(C)CC1 ZINC000378365244 484452867 /nfs/dbraw/zinc/45/28/67/484452867.db2.gz IPKMHMVAQDRURJ-AWEZNQCLSA-N 0 3 365.478 -0.055 20 0 FBADHN C[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)CCN1C1CCN(C)CC1 ZINC000378365245 484454109 /nfs/dbraw/zinc/45/41/09/484454109.db2.gz IPKMHMVAQDRURJ-CQSZACIVSA-N 0 3 365.478 -0.055 20 0 FBADHN CN1CCN([C@H]2CCCCN(C(=O)C3=NN(CCO)C(=O)CC3)C2)CC1 ZINC000378367416 484453473 /nfs/dbraw/zinc/45/34/73/484453473.db2.gz DMSSVUVBLZZFCD-HNNXBMFYSA-N 0 3 365.478 -0.414 20 0 FBADHN CN1CCN([C@@H]2CCCCN(C(=O)C3=NN(CCO)C(=O)CC3)C2)CC1 ZINC000378367418 484453219 /nfs/dbraw/zinc/45/32/19/484453219.db2.gz DMSSVUVBLZZFCD-OAHLLOKOSA-N 0 3 365.478 -0.414 20 0 FBADHN C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CCN1C1CCN(C)CC1 ZINC000378369039 484453534 /nfs/dbraw/zinc/45/35/34/484453534.db2.gz ISHREPFNXDXAJL-AWEZNQCLSA-N 0 3 358.508 -0.351 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CCN1C1CCN(C)CC1 ZINC000378369040 484453435 /nfs/dbraw/zinc/45/34/35/484453435.db2.gz ISHREPFNXDXAJL-CQSZACIVSA-N 0 3 358.508 -0.351 20 0 FBADHN C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CCN1C1CCN(C)CC1 ZINC000378371204 484453279 /nfs/dbraw/zinc/45/32/79/484453279.db2.gz QEVUDZVJVNXAGR-AWEZNQCLSA-N 0 3 363.462 -0.826 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CCN1C1CCN(C)CC1 ZINC000378371205 484453798 /nfs/dbraw/zinc/45/37/98/484453798.db2.gz QEVUDZVJVNXAGR-CQSZACIVSA-N 0 3 363.462 -0.826 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CCN1C1CCN(C)CC1 ZINC000378374573 484453632 /nfs/dbraw/zinc/45/36/32/484453632.db2.gz YHHXMPUSOQWZNC-CYBMUJFWSA-N 0 3 360.524 -0.059 20 0 FBADHN C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CCN1C1CCN(C)CC1 ZINC000378374577 484453058 /nfs/dbraw/zinc/45/30/58/484453058.db2.gz YHHXMPUSOQWZNC-ZDUSSCGKSA-N 0 3 360.524 -0.059 20 0 FBADHN CN1CCN(C(=O)C(=O)Nc2cnn(CCN3CCCCC3)c2)CC1=O ZINC000378376614 484453695 /nfs/dbraw/zinc/45/36/95/484453695.db2.gz JUTKHPXFIFLZMC-UHFFFAOYSA-N 0 3 362.434 -0.392 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)Nc2cnn(CCN3CCCCC3)c2)C1=O ZINC000378392767 484454577 /nfs/dbraw/zinc/45/45/77/484454577.db2.gz ZQLKAEPGRSPZKE-UHFFFAOYSA-N 0 3 362.390 -0.272 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000378411318 484361605 /nfs/dbraw/zinc/36/16/05/484361605.db2.gz LRYACZTZNDYGEM-GFCCVEGCSA-N 0 3 358.468 -0.010 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000378411319 484362002 /nfs/dbraw/zinc/36/20/02/484362002.db2.gz LRYACZTZNDYGEM-LBPRGKRZSA-N 0 3 358.468 -0.010 20 0 FBADHN CN(CC(=O)N1CCNC(=O)C1)C1CCN(CCc2ccncc2)CC1 ZINC000378422053 484454605 /nfs/dbraw/zinc/45/46/05/484454605.db2.gz ALSSYEFCMZHDIY-UHFFFAOYSA-N 0 3 359.474 -0.021 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000378425417 484454843 /nfs/dbraw/zinc/45/48/43/484454843.db2.gz OJWSANRQBPKGTG-UHFFFAOYSA-N 0 3 373.413 -0.207 20 0 FBADHN CCN1CCc2c(cccc2NC(=O)C(=O)NCC(=O)N2CCOCC2)C1 ZINC000378462085 484456642 /nfs/dbraw/zinc/45/66/42/484456642.db2.gz XYHVBSXKEFLXNY-UHFFFAOYSA-N 0 3 374.441 -0.022 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)CC1 ZINC000378462269 484457028 /nfs/dbraw/zinc/45/70/28/484457028.db2.gz NCJLVFPSUIWQBT-CVEARBPZSA-N 0 3 365.478 -0.197 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)CC1 ZINC000378462270 484456623 /nfs/dbraw/zinc/45/66/23/484456623.db2.gz NCJLVFPSUIWQBT-HOTGVXAUSA-N 0 3 365.478 -0.197 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)CC1 ZINC000378462271 484456691 /nfs/dbraw/zinc/45/66/91/484456691.db2.gz NCJLVFPSUIWQBT-HZPDHXFCSA-N 0 3 365.478 -0.197 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000378462272 484456270 /nfs/dbraw/zinc/45/62/70/484456270.db2.gz NCJLVFPSUIWQBT-JKSUJKDBSA-N 0 3 365.478 -0.197 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cn1C ZINC000378492911 484458178 /nfs/dbraw/zinc/45/81/78/484458178.db2.gz HRJJFTRULYHTQO-KBPBESRZSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cn1C ZINC000378492912 484458156 /nfs/dbraw/zinc/45/81/56/484458156.db2.gz HRJJFTRULYHTQO-KGLIPLIRSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cn1C ZINC000378492913 484458660 /nfs/dbraw/zinc/45/86/60/484458660.db2.gz HRJJFTRULYHTQO-UONOGXRCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cn1C ZINC000378492914 484458072 /nfs/dbraw/zinc/45/80/72/484458072.db2.gz HRJJFTRULYHTQO-ZIAGYGMSSA-N 0 3 369.491 -0.050 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000378499952 484457813 /nfs/dbraw/zinc/45/78/13/484457813.db2.gz WTJVRIBDEVPBOR-UHFFFAOYSA-N 0 3 368.434 -0.652 20 0 FBADHN Cn1c2ncn(CCNC3(CO)Cc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000378519498 484458039 /nfs/dbraw/zinc/45/80/39/484458039.db2.gz LQILPOQXBQKHRA-UHFFFAOYSA-N 0 3 369.425 -0.447 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1=O ZINC000378520660 484457588 /nfs/dbraw/zinc/45/75/88/484457588.db2.gz SYJXTGPAJWWAOO-KBPBESRZSA-N 0 3 355.435 -0.565 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1=O ZINC000378520665 484458308 /nfs/dbraw/zinc/45/83/08/484458308.db2.gz SYJXTGPAJWWAOO-KGLIPLIRSA-N 0 3 355.435 -0.565 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1=O ZINC000378520669 484458573 /nfs/dbraw/zinc/45/85/73/484458573.db2.gz SYJXTGPAJWWAOO-UONOGXRCSA-N 0 3 355.435 -0.565 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1=O ZINC000378520672 484458484 /nfs/dbraw/zinc/45/84/84/484458484.db2.gz SYJXTGPAJWWAOO-ZIAGYGMSSA-N 0 3 355.435 -0.565 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000378549156 484459465 /nfs/dbraw/zinc/45/94/65/484459465.db2.gz MADKNAQUCVUZNN-BPUTZDHNSA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000378549157 484460261 /nfs/dbraw/zinc/46/02/61/484460261.db2.gz MADKNAQUCVUZNN-CWRNSKLLSA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000378549158 484459642 /nfs/dbraw/zinc/45/96/42/484459642.db2.gz MADKNAQUCVUZNN-IMJJTQAJSA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000378549159 484460354 /nfs/dbraw/zinc/46/03/54/484460354.db2.gz MADKNAQUCVUZNN-NUEKZKHPSA-N 0 3 352.479 -0.500 20 0 FBADHN COCCCN1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000378561729 484461677 /nfs/dbraw/zinc/46/16/77/484461677.db2.gz PCWYXPYWCSQYQC-UHFFFAOYSA-N 0 3 352.439 -0.107 20 0 FBADHN CN(CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000378565537 484461422 /nfs/dbraw/zinc/46/14/22/484461422.db2.gz PWPCOZDVXYGGIQ-HNNXBMFYSA-N 0 3 374.507 -0.083 20 0 FBADHN CN(CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000378565538 484461791 /nfs/dbraw/zinc/46/17/91/484461791.db2.gz PWPCOZDVXYGGIQ-OAHLLOKOSA-N 0 3 374.507 -0.083 20 0 FBADHN CN(C)CCOc1cc(C(=O)NC2CCN(c3nnnn3C)CC2)ccn1 ZINC000378577068 484463588 /nfs/dbraw/zinc/46/35/88/484463588.db2.gz CZTUIXBFEKGVEM-UHFFFAOYSA-N 0 3 374.449 -0.056 20 0 FBADHN C[C@@]1(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCCN1 ZINC000378583466 484462930 /nfs/dbraw/zinc/46/29/30/484462930.db2.gz YXPXZQDAOBUBCY-KRWDZBQOSA-N 0 3 352.435 -0.952 20 0 FBADHN C[C@]1(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCCN1 ZINC000378583467 484462900 /nfs/dbraw/zinc/46/29/00/484462900.db2.gz YXPXZQDAOBUBCY-QGZVFWFLSA-N 0 3 352.435 -0.952 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O ZINC000378583727 484463103 /nfs/dbraw/zinc/46/31/03/484463103.db2.gz ZHNRLVZKGCCUPI-CVEARBPZSA-N 0 3 367.494 -0.297 20 0 FBADHN CN1CCC[C@H]1CNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O ZINC000378583728 484463739 /nfs/dbraw/zinc/46/37/39/484463739.db2.gz ZHNRLVZKGCCUPI-HOTGVXAUSA-N 0 3 367.494 -0.297 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000378583729 484463945 /nfs/dbraw/zinc/46/39/45/484463945.db2.gz ZHNRLVZKGCCUPI-HZPDHXFCSA-N 0 3 367.494 -0.297 20 0 FBADHN CN1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000378583730 484463715 /nfs/dbraw/zinc/46/37/15/484463715.db2.gz ZHNRLVZKGCCUPI-JKSUJKDBSA-N 0 3 367.494 -0.297 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000378652847 484408052 /nfs/dbraw/zinc/40/80/52/484408052.db2.gz VVTGPTNXZBVIQU-GFCCVEGCSA-N 0 3 363.418 0.232 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000378652848 484409450 /nfs/dbraw/zinc/40/94/50/484409450.db2.gz VVTGPTNXZBVIQU-LBPRGKRZSA-N 0 3 363.418 0.232 20 0 FBADHN O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)N1CCNCC1 ZINC000383009978 842167172 /nfs/dbraw/zinc/16/71/72/842167172.db2.gz AWJLBPOZHOGOHB-INIZCTEOSA-N 0 3 354.476 -0.373 20 0 FBADHN O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CCNCC1 ZINC000383009983 842167183 /nfs/dbraw/zinc/16/71/83/842167183.db2.gz AWJLBPOZHOGOHB-MRXNPFEDSA-N 0 3 354.476 -0.373 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1 ZINC000383317740 484338157 /nfs/dbraw/zinc/33/81/57/484338157.db2.gz RCNPIZNTRFRZAH-JTQLQIEISA-N 0 3 357.404 -0.145 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1 ZINC000383317742 484338485 /nfs/dbraw/zinc/33/84/85/484338485.db2.gz RCNPIZNTRFRZAH-SNVBAGLBSA-N 0 3 357.404 -0.145 20 0 FBADHN O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)N1CCNCC1 ZINC000390454266 842250562 /nfs/dbraw/zinc/25/05/62/842250562.db2.gz 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/nfs/dbraw/zinc/70/75/88/483707588.db2.gz WPQZJOCSKFKLNF-HNNXBMFYSA-N 0 3 356.492 -0.551 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000408175026 483707744 /nfs/dbraw/zinc/70/77/44/483707744.db2.gz WPQZJOCSKFKLNF-OAHLLOKOSA-N 0 3 356.492 -0.551 20 0 FBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC(O)(CN2CCOCC2)CC1 ZINC000408186627 483747399 /nfs/dbraw/zinc/74/73/99/483747399.db2.gz IQKUCIRNASEQDV-INIZCTEOSA-N 0 3 352.479 -0.938 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CCC(O)(CN2CCOCC2)CC1 ZINC000408186628 483747529 /nfs/dbraw/zinc/74/75/29/483747529.db2.gz IQKUCIRNASEQDV-MRXNPFEDSA-N 0 3 352.479 -0.938 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000408209111 483819109 /nfs/dbraw/zinc/81/91/09/483819109.db2.gz YRLNCNCRHULHSB-UHFFFAOYSA-N 0 3 360.524 -0.246 20 0 FBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000408219910 483836169 /nfs/dbraw/zinc/83/61/69/483836169.db2.gz RHWLIHQDVJCNTC-INIZCTEOSA-N 0 3 370.519 -0.902 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000408219911 483836214 /nfs/dbraw/zinc/83/62/14/483836214.db2.gz RHWLIHQDVJCNTC-MRXNPFEDSA-N 0 3 370.519 -0.902 20 0 FBADHN CC(C)(NS(C)(=O)=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000408233025 483851999 /nfs/dbraw/zinc/85/19/99/483851999.db2.gz XQBOGYORMOMGHF-UHFFFAOYSA-N 0 3 360.480 -0.919 20 0 FBADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)N(C)C ZINC000408246386 483856736 /nfs/dbraw/zinc/85/67/36/483856736.db2.gz LLWKYRFISNWRFX-AWEZNQCLSA-N 0 3 354.451 -0.898 20 0 FBADHN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3CN4CCN3CCC4)C2)c1=O ZINC000408261025 483861026 /nfs/dbraw/zinc/86/10/26/483861026.db2.gz KCNWJQZJYXSOCF-CABCVRRESA-N 0 3 360.462 -0.745 20 0 FBADHN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CN4CCN3CCC4)C2)c1=O ZINC000408261026 483861182 /nfs/dbraw/zinc/86/11/82/483861182.db2.gz KCNWJQZJYXSOCF-GJZGRUSLSA-N 0 3 360.462 -0.745 20 0 FBADHN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3CN4CCN3CCC4)C2)c1=O ZINC000408261027 483861158 /nfs/dbraw/zinc/86/11/58/483861158.db2.gz KCNWJQZJYXSOCF-HUUCEWRRSA-N 0 3 360.462 -0.745 20 0 FBADHN Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CN4CCN3CCC4)C2)c1=O ZINC000408261028 483861148 /nfs/dbraw/zinc/86/11/48/483861148.db2.gz KCNWJQZJYXSOCF-LSDHHAIUSA-N 0 3 360.462 -0.745 20 0 FBADHN CCN(CC)C[C@@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408337041 483889287 /nfs/dbraw/zinc/88/92/87/483889287.db2.gz RWLKTXUMTSVJIO-GFCCVEGCSA-N 0 3 356.514 -0.872 20 0 FBADHN CCN(CC)C[C@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408337046 483889323 /nfs/dbraw/zinc/88/93/23/483889323.db2.gz RWLKTXUMTSVJIO-LBPRGKRZSA-N 0 3 356.514 -0.872 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H](C)CO1 ZINC000408337334 483889367 /nfs/dbraw/zinc/88/93/67/483889367.db2.gz TZTSYMCDDAAECT-KFWWJZLASA-N 0 3 374.507 -0.421 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@H](C)CO1 ZINC000408337336 483889298 /nfs/dbraw/zinc/88/92/98/483889298.db2.gz TZTSYMCDDAAECT-RBSFLKMASA-N 0 3 374.507 -0.421 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@@H](C)CO1 ZINC000408337338 483889337 /nfs/dbraw/zinc/88/93/37/483889337.db2.gz TZTSYMCDDAAECT-RRFJBIMHSA-N 0 3 374.507 -0.421 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@@H](C)CO1 ZINC000408337341 483889054 /nfs/dbraw/zinc/88/90/54/483889054.db2.gz TZTSYMCDDAAECT-ZNMIVQPWSA-N 0 3 374.507 -0.421 20 0 FBADHN CC(C)N(CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000408341492 483889740 /nfs/dbraw/zinc/88/97/40/483889740.db2.gz RLCDNEWXIZNTLY-UHFFFAOYSA-N 0 3 370.541 -0.483 20 0 FBADHN CC[C@@H](C)N(C)CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408342243 483890178 /nfs/dbraw/zinc/89/01/78/483890178.db2.gz JXOKVIAMVIYOSU-GFCCVEGCSA-N 0 3 356.514 -0.872 20 0 FBADHN CC[C@H](C)N(C)CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408342244 483889849 /nfs/dbraw/zinc/88/98/49/483889849.db2.gz JXOKVIAMVIYOSU-LBPRGKRZSA-N 0 3 356.514 -0.872 20 0 FBADHN CCN(CC)[C@H](C)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408342432 483890046 /nfs/dbraw/zinc/89/00/46/483890046.db2.gz KLDPKIFSOAGUTK-GFCCVEGCSA-N 0 3 356.514 -0.872 20 0 FBADHN CCN(CC)[C@@H](C)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408342433 483890210 /nfs/dbraw/zinc/89/02/10/483890210.db2.gz KLDPKIFSOAGUTK-LBPRGKRZSA-N 0 3 356.514 -0.872 20 0 FBADHN O=C(CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1)N1CCOCC1 ZINC000408364174 483897194 /nfs/dbraw/zinc/89/71/94/483897194.db2.gz IARPNOZIPPWLHQ-INIZCTEOSA-N 0 3 350.463 -0.384 20 0 FBADHN O=C(CN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1)N1CCOCC1 ZINC000408364175 483897137 /nfs/dbraw/zinc/89/71/37/483897137.db2.gz IARPNOZIPPWLHQ-MRXNPFEDSA-N 0 3 350.463 -0.384 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408382736 483911979 /nfs/dbraw/zinc/91/19/79/483911979.db2.gz STEHLQKQLBAMKT-KBPBESRZSA-N 0 3 360.480 -0.873 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408382740 483913219 /nfs/dbraw/zinc/91/32/19/483913219.db2.gz STEHLQKQLBAMKT-KGLIPLIRSA-N 0 3 360.480 -0.873 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408382742 483912596 /nfs/dbraw/zinc/91/25/96/483912596.db2.gz STEHLQKQLBAMKT-UONOGXRCSA-N 0 3 360.480 -0.873 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408382744 483913200 /nfs/dbraw/zinc/91/32/00/483913200.db2.gz STEHLQKQLBAMKT-ZIAGYGMSSA-N 0 3 360.480 -0.873 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408384314 483913051 /nfs/dbraw/zinc/91/30/51/483913051.db2.gz ZBEOIFCTWIRVPU-AEGPPILISA-N 0 3 374.507 -0.484 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408384325 483912730 /nfs/dbraw/zinc/91/27/30/483912730.db2.gz ZBEOIFCTWIRVPU-CFVMTHIKSA-N 0 3 374.507 -0.484 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408384326 483913148 /nfs/dbraw/zinc/91/31/48/483913148.db2.gz ZBEOIFCTWIRVPU-NWANDNLSSA-N 0 3 374.507 -0.484 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408384328 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ZINC000409761613 483780278 /nfs/dbraw/zinc/78/02/78/483780278.db2.gz MNSYPHSHTBUBIV-KBPBESRZSA-N 0 3 361.512 -0.525 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000409761614 483780436 /nfs/dbraw/zinc/78/04/36/483780436.db2.gz MNSYPHSHTBUBIV-KGLIPLIRSA-N 0 3 361.512 -0.525 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000409761616 483780449 /nfs/dbraw/zinc/78/04/49/483780449.db2.gz MNSYPHSHTBUBIV-UONOGXRCSA-N 0 3 361.512 -0.525 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000409761617 483780348 /nfs/dbraw/zinc/78/03/48/483780348.db2.gz MNSYPHSHTBUBIV-ZIAGYGMSSA-N 0 3 361.512 -0.525 20 0 FBADHN NS(=O)(=O)CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000409775634 483780749 /nfs/dbraw/zinc/78/07/49/483780749.db2.gz FOAUXMRDFJJKFH-AWEZNQCLSA-N 0 3 356.448 -0.659 20 0 FBADHN NS(=O)(=O)CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000409775635 483781052 /nfs/dbraw/zinc/78/10/52/483781052.db2.gz FOAUXMRDFJJKFH-CQSZACIVSA-N 0 3 356.448 -0.659 20 0 FBADHN C[C@H](CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1)S(N)(=O)=O ZINC000409781972 483780809 /nfs/dbraw/zinc/78/08/09/483780809.db2.gz XVFGGYPZNNZFOC-DOMZBBRYSA-N 0 3 370.475 -0.271 20 0 FBADHN C[C@H](CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)S(N)(=O)=O ZINC000409781979 483781046 /nfs/dbraw/zinc/78/10/46/483781046.db2.gz XVFGGYPZNNZFOC-IUODEOHRSA-N 0 3 370.475 -0.271 20 0 FBADHN C[C@@H](CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)S(N)(=O)=O ZINC000409781981 483780711 /nfs/dbraw/zinc/78/07/11/483780711.db2.gz XVFGGYPZNNZFOC-SWLSCSKDSA-N 0 3 370.475 -0.271 20 0 FBADHN C[C@@H](CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1)S(N)(=O)=O ZINC000409781982 483781003 /nfs/dbraw/zinc/78/10/03/483781003.db2.gz XVFGGYPZNNZFOC-WFASDCNBSA-N 0 3 370.475 -0.271 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000409916465 483782506 /nfs/dbraw/zinc/78/25/06/483782506.db2.gz UJDVEDAPHZBGDI-LLVKDONJSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000409916466 483782373 /nfs/dbraw/zinc/78/23/73/483782373.db2.gz UJDVEDAPHZBGDI-NSHDSACASA-N 0 3 357.480 -0.087 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000410057188 483787406 /nfs/dbraw/zinc/78/74/06/483787406.db2.gz JBOOQNMKYAQEIZ-HNNXBMFYSA-N 0 3 365.478 -0.055 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000410057189 483787861 /nfs/dbraw/zinc/78/78/61/483787861.db2.gz JBOOQNMKYAQEIZ-OAHLLOKOSA-N 0 3 365.478 -0.055 20 0 FBADHN C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C(=O)NCCF ZINC000410057206 483787489 /nfs/dbraw/zinc/78/74/89/483787489.db2.gz JHPPBJXNWNLPGO-CHWSQXEVSA-N 0 3 359.446 -0.298 20 0 FBADHN C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C(=O)NCCF ZINC000410057207 483787594 /nfs/dbraw/zinc/78/75/94/483787594.db2.gz JHPPBJXNWNLPGO-OLZOCXBDSA-N 0 3 359.446 -0.298 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C(=O)NCCF ZINC000410057208 483787370 /nfs/dbraw/zinc/78/73/70/483787370.db2.gz JHPPBJXNWNLPGO-QWHCGFSZSA-N 0 3 359.446 -0.298 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C(=O)NCCF ZINC000410057209 483787814 /nfs/dbraw/zinc/78/78/14/483787814.db2.gz JHPPBJXNWNLPGO-STQMWFEESA-N 0 3 359.446 -0.298 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CN1C1CC1 ZINC000410062587 483788182 /nfs/dbraw/zinc/78/81/82/483788182.db2.gz NKEYZEJQDGTQFF-CHWSQXEVSA-N 0 3 359.496 -0.773 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CN1C1CC1 ZINC000410062588 483788421 /nfs/dbraw/zinc/78/84/21/483788421.db2.gz NKEYZEJQDGTQFF-OLZOCXBDSA-N 0 3 359.496 -0.773 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CN1C1CC1 ZINC000410062589 483788279 /nfs/dbraw/zinc/78/82/79/483788279.db2.gz NKEYZEJQDGTQFF-QWHCGFSZSA-N 0 3 359.496 -0.773 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CN1C1CC1 ZINC000410062590 483788226 /nfs/dbraw/zinc/78/82/26/483788226.db2.gz NKEYZEJQDGTQFF-STQMWFEESA-N 0 3 359.496 -0.773 20 0 FBADHN CN(CCCNC(=O)CN1CCNC[C@H]1c1cccnc1)S(C)(=O)=O ZINC000410079051 483788366 /nfs/dbraw/zinc/78/83/66/483788366.db2.gz WACQKASFKXAPNI-HNNXBMFYSA-N 0 3 369.491 -0.574 20 0 FBADHN CN(CCCNC(=O)CN1CCNC[C@@H]1c1cccnc1)S(C)(=O)=O ZINC000410079052 483788505 /nfs/dbraw/zinc/78/85/05/483788505.db2.gz WACQKASFKXAPNI-OAHLLOKOSA-N 0 3 369.491 -0.574 20 0 FBADHN CN(CCCNC(=O)CN1C[C@@H](c2ccccc2)[C@H](N)C1)S(C)(=O)=O ZINC000410082058 483788155 /nfs/dbraw/zinc/78/81/55/483788155.db2.gz LFZCJBINLHVJJP-JKSUJKDBSA-N 0 3 368.503 -0.189 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CN1CCC(C)CC1 ZINC000410166517 483791534 /nfs/dbraw/zinc/79/15/34/483791534.db2.gz FCSKBBYCZVDKAP-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CN(C)[C@H]1CCSC1 ZINC000410169306 483792207 /nfs/dbraw/zinc/79/22/07/483792207.db2.gz DSFSCQNKIJBSEI-HNNXBMFYSA-N 0 3 372.535 -0.327 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000410169307 483792101 /nfs/dbraw/zinc/79/21/01/483792101.db2.gz DSFSCQNKIJBSEI-OAHLLOKOSA-N 0 3 372.535 -0.327 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H](C)CN1CCOCC1 ZINC000410170961 483792081 /nfs/dbraw/zinc/79/20/81/483792081.db2.gz INULFYISEOCEFX-INIZCTEOSA-N 0 3 370.494 -0.796 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](C)CN1CCOCC1 ZINC000410170962 483792044 /nfs/dbraw/zinc/79/20/44/483792044.db2.gz INULFYISEOCEFX-MRXNPFEDSA-N 0 3 370.494 -0.796 20 0 FBADHN COCCN(C)CCCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410186290 483792453 /nfs/dbraw/zinc/79/24/53/483792453.db2.gz DLUJBEFXSWIGMM-KBPBESRZSA-N 0 3 364.512 -0.028 20 0 FBADHN COCCN(C)CCCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410186291 483792722 /nfs/dbraw/zinc/79/27/22/483792722.db2.gz DLUJBEFXSWIGMM-KGLIPLIRSA-N 0 3 364.512 -0.028 20 0 FBADHN COCCN(C)CCCNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410186292 483792690 /nfs/dbraw/zinc/79/26/90/483792690.db2.gz DLUJBEFXSWIGMM-UONOGXRCSA-N 0 3 364.512 -0.028 20 0 FBADHN COCCN(C)CCCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410186293 483792884 /nfs/dbraw/zinc/79/28/84/483792884.db2.gz DLUJBEFXSWIGMM-ZIAGYGMSSA-N 0 3 364.512 -0.028 20 0 FBADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 ZINC000410190918 483792500 /nfs/dbraw/zinc/79/25/00/483792500.db2.gz BVZALTVOWQSOAH-HZSPNIEDSA-N 0 3 362.496 -0.276 20 0 FBADHN COCCN1CC[C@H](NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)C1 ZINC000410190919 483792683 /nfs/dbraw/zinc/79/26/83/483792683.db2.gz BVZALTVOWQSOAH-IHRRRGAJSA-N 0 3 362.496 -0.276 20 0 FBADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)C1 ZINC000410190920 483792781 /nfs/dbraw/zinc/79/27/81/483792781.db2.gz BVZALTVOWQSOAH-MELADBBJSA-N 0 3 362.496 -0.276 20 0 FBADHN COCCN1CC[C@H](NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 ZINC000410190921 483792564 /nfs/dbraw/zinc/79/25/64/483792564.db2.gz BVZALTVOWQSOAH-RDBSUJKOSA-N 0 3 362.496 -0.276 20 0 FBADHN COCCN(C)CCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410193283 483792840 /nfs/dbraw/zinc/79/28/40/483792840.db2.gz WSEBEQMLAWQAQI-CHWSQXEVSA-N 0 3 350.485 -0.418 20 0 FBADHN COCCN(C)CCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410193284 483792650 /nfs/dbraw/zinc/79/26/50/483792650.db2.gz WSEBEQMLAWQAQI-OLZOCXBDSA-N 0 3 350.485 -0.418 20 0 FBADHN COCCN(C)CCNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410193285 483792608 /nfs/dbraw/zinc/79/26/08/483792608.db2.gz WSEBEQMLAWQAQI-QWHCGFSZSA-N 0 3 350.485 -0.418 20 0 FBADHN COCCN(C)CCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410193286 483792516 /nfs/dbraw/zinc/79/25/16/483792516.db2.gz WSEBEQMLAWQAQI-STQMWFEESA-N 0 3 350.485 -0.418 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410221783 483794054 /nfs/dbraw/zinc/79/40/54/483794054.db2.gz BKDWKANKKGRJHI-KBPBESRZSA-N 0 3 364.512 -0.028 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410221784 483793603 /nfs/dbraw/zinc/79/36/03/483793603.db2.gz BKDWKANKKGRJHI-KGLIPLIRSA-N 0 3 364.512 -0.028 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000410221785 483794161 /nfs/dbraw/zinc/79/41/61/483794161.db2.gz BKDWKANKKGRJHI-UONOGXRCSA-N 0 3 364.512 -0.028 20 0 FBADHN COCCCN(C)CCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000410221786 483794045 /nfs/dbraw/zinc/79/40/45/483794045.db2.gz BKDWKANKKGRJHI-ZIAGYGMSSA-N 0 3 364.512 -0.028 20 0 FBADHN CN(C)CCN1CCC(NC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000410314323 483796055 /nfs/dbraw/zinc/79/60/55/483796055.db2.gz HWKXWCDMEJHFOB-UHFFFAOYSA-N 0 3 361.512 -0.701 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)NC2CCN(CCN(C)C)CC2)CC1 ZINC000410315901 483796021 /nfs/dbraw/zinc/79/60/21/483796021.db2.gz XOJHOHWKQXYRBH-UHFFFAOYSA-N 0 3 368.526 -0.478 20 0 FBADHN COCC(=O)N1CCN(C(=O)NC2CCN(CCN(C)C)CC2)CC1 ZINC000410326148 483795650 /nfs/dbraw/zinc/79/56/50/483795650.db2.gz CABPYMUUKVZGIG-UHFFFAOYSA-N 0 3 355.483 -0.487 20 0 FBADHN CN(C)CCN1CCC(NC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000410327780 483796732 /nfs/dbraw/zinc/79/67/32/483796732.db2.gz VOXQJYDHQIYIPX-UHFFFAOYSA-N 0 3 361.512 -0.607 20 0 FBADHN CN(C)CCN1CCC(NC(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000410330539 483796773 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FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000410434760 483804468 /nfs/dbraw/zinc/80/44/68/483804468.db2.gz PAYNNQDYNUITJU-MAUKXSAKSA-N 0 3 369.462 -0.427 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000410434764 483804344 /nfs/dbraw/zinc/80/43/44/483804344.db2.gz PAYNNQDYNUITJU-QAPCUYQASA-N 0 3 369.462 -0.427 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000410434765 483804030 /nfs/dbraw/zinc/80/40/30/483804030.db2.gz PAYNNQDYNUITJU-YJBOKZPZSA-N 0 3 369.462 -0.427 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000410435035 483804564 /nfs/dbraw/zinc/80/45/64/483804564.db2.gz PKKVITHFWGPILH-INIZCTEOSA-N 0 3 370.494 -0.654 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000410435036 483804300 /nfs/dbraw/zinc/80/43/00/483804300.db2.gz PKKVITHFWGPILH-MRXNPFEDSA-N 0 3 370.494 -0.654 20 0 FBADHN COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410435129 483804523 /nfs/dbraw/zinc/80/45/23/483804523.db2.gz PSKNVDDLULNGAJ-KBXCAEBGSA-N 0 3 369.462 -0.033 20 0 FBADHN COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410435130 483804064 /nfs/dbraw/zinc/80/40/64/483804064.db2.gz PSKNVDDLULNGAJ-KDOFPFPSSA-N 0 3 369.462 -0.033 20 0 FBADHN COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410435131 483804405 /nfs/dbraw/zinc/80/44/05/483804405.db2.gz PSKNVDDLULNGAJ-KSSFIOAISA-N 0 3 369.462 -0.033 20 0 FBADHN COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410435132 483804580 /nfs/dbraw/zinc/80/45/80/483804580.db2.gz PSKNVDDLULNGAJ-RDTXWAMCSA-N 0 3 369.462 -0.033 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000410435223 483804371 /nfs/dbraw/zinc/80/43/71/483804371.db2.gz PXHUOYSMJOZONR-AWEZNQCLSA-N 0 3 351.451 -0.397 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000410435225 483804149 /nfs/dbraw/zinc/80/41/49/483804149.db2.gz PXHUOYSMJOZONR-CQSZACIVSA-N 0 3 351.451 -0.397 20 0 FBADHN CC(C)N1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1=O ZINC000410435561 483804058 /nfs/dbraw/zinc/80/40/58/483804058.db2.gz QHQSZZUTPGAECP-HNNXBMFYSA-N 0 3 368.478 -0.365 20 0 FBADHN CC(C)N1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1=O ZINC000410435562 483804033 /nfs/dbraw/zinc/80/40/33/483804033.db2.gz QHQSZZUTPGAECP-OAHLLOKOSA-N 0 3 368.478 -0.365 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410435819 483804026 /nfs/dbraw/zinc/80/40/26/483804026.db2.gz QTKRPEHWDXCWDQ-KRWDZBQOSA-N 0 3 355.435 -0.421 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410435821 483804169 /nfs/dbraw/zinc/80/41/69/483804169.db2.gz QTKRPEHWDXCWDQ-QGZVFWFLSA-N 0 3 355.435 -0.421 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000410436384 483804423 /nfs/dbraw/zinc/80/44/23/483804423.db2.gz RHZQPENBUZXDCT-HNNXBMFYSA-N 0 3 366.462 -0.611 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000410436385 483804273 /nfs/dbraw/zinc/80/42/73/483804273.db2.gz RHZQPENBUZXDCT-OAHLLOKOSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000410436550 483804187 /nfs/dbraw/zinc/80/41/87/483804187.db2.gz RSEYOCHRWOKSKJ-CVEARBPZSA-N 0 3 370.494 -0.919 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000410436555 483804549 /nfs/dbraw/zinc/80/45/49/483804549.db2.gz RSEYOCHRWOKSKJ-HOTGVXAUSA-N 0 3 370.494 -0.919 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000410436558 483804517 /nfs/dbraw/zinc/80/45/17/483804517.db2.gz RSEYOCHRWOKSKJ-HZPDHXFCSA-N 0 3 370.494 -0.919 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000410436560 483804139 /nfs/dbraw/zinc/80/41/39/483804139.db2.gz RSEYOCHRWOKSKJ-JKSUJKDBSA-N 0 3 370.494 -0.919 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410436930 483804037 /nfs/dbraw/zinc/80/40/37/483804037.db2.gz RUMZJURJSWZULI-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410436931 483804245 /nfs/dbraw/zinc/80/42/45/483804245.db2.gz RUMZJURJSWZULI-ZDUSSCGKSA-N 0 3 360.480 -0.919 20 0 FBADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000410437363 483804867 /nfs/dbraw/zinc/80/48/67/483804867.db2.gz SPBNRPHTKMIQJS-KBPBESRZSA-N 0 3 354.451 -0.707 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000410437364 483805277 /nfs/dbraw/zinc/80/52/77/483805277.db2.gz SPBNRPHTKMIQJS-KGLIPLIRSA-N 0 3 354.451 -0.707 20 0 FBADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000410437365 483805082 /nfs/dbraw/zinc/80/50/82/483805082.db2.gz SPBNRPHTKMIQJS-UONOGXRCSA-N 0 3 354.451 -0.707 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000410437367 483805247 /nfs/dbraw/zinc/80/52/47/483805247.db2.gz SPBNRPHTKMIQJS-ZIAGYGMSSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000410437419 483805010 /nfs/dbraw/zinc/80/50/10/483805010.db2.gz SIMUHCXYLWMRJT-AWEZNQCLSA-N 0 3 371.482 -0.715 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000410437427 483805056 /nfs/dbraw/zinc/80/50/56/483805056.db2.gz SIMUHCXYLWMRJT-CQSZACIVSA-N 0 3 371.482 -0.715 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000410438096 483805113 /nfs/dbraw/zinc/80/51/13/483805113.db2.gz UBWVUQUEFUMYET-CVEARBPZSA-N 0 3 368.478 -0.901 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000410438099 483805104 /nfs/dbraw/zinc/80/51/04/483805104.db2.gz UBWVUQUEFUMYET-HOTGVXAUSA-N 0 3 368.478 -0.901 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000410438102 483805187 /nfs/dbraw/zinc/80/51/87/483805187.db2.gz UBWVUQUEFUMYET-HZPDHXFCSA-N 0 3 368.478 -0.901 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000410438104 483805298 /nfs/dbraw/zinc/80/52/98/483805298.db2.gz UBWVUQUEFUMYET-JKSUJKDBSA-N 0 3 368.478 -0.901 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410438575 483805016 /nfs/dbraw/zinc/80/50/16/483805016.db2.gz URSHBFDLWZAFNO-KBXCAEBGSA-N 0 3 368.478 -0.460 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410438577 483805149 /nfs/dbraw/zinc/80/51/49/483805149.db2.gz URSHBFDLWZAFNO-KDOFPFPSSA-N 0 3 368.478 -0.460 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410438579 483804925 /nfs/dbraw/zinc/80/49/25/483804925.db2.gz URSHBFDLWZAFNO-KSSFIOAISA-N 0 3 368.478 -0.460 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410438581 483804702 /nfs/dbraw/zinc/80/47/02/483804702.db2.gz URSHBFDLWZAFNO-RDTXWAMCSA-N 0 3 368.478 -0.460 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CCN1CC(C)(C)O ZINC000410438617 483804842 /nfs/dbraw/zinc/80/48/42/483804842.db2.gz UTHLYANNGBNXJP-HNNXBMFYSA-N 0 3 354.495 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CCN1CC(C)(C)O ZINC000410438620 483804757 /nfs/dbraw/zinc/80/47/57/483804757.db2.gz UTHLYANNGBNXJP-OAHLLOKOSA-N 0 3 354.495 -0.156 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000410438856 483804890 /nfs/dbraw/zinc/80/48/90/483804890.db2.gz FPMSXLITZJFGPU-DLBZAZTESA-N 0 3 366.506 -0.012 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000410438859 483804708 /nfs/dbraw/zinc/80/47/08/483804708.db2.gz FPMSXLITZJFGPU-IAGOWNOFSA-N 0 3 366.506 -0.012 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000410438861 483805197 /nfs/dbraw/zinc/80/51/97/483805197.db2.gz FPMSXLITZJFGPU-IRXDYDNUSA-N 0 3 366.506 -0.012 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000410438864 483805000 /nfs/dbraw/zinc/80/50/00/483805000.db2.gz FPMSXLITZJFGPU-SJORKVTESA-N 0 3 366.506 -0.012 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000410439699 483804964 /nfs/dbraw/zinc/80/49/64/483804964.db2.gz WEYMFALDWJDUGL-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN Cc1nc2n(n1)CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C2 ZINC000410441108 483805141 /nfs/dbraw/zinc/80/51/41/483805141.db2.gz XZUFBPZFKKWAIX-AWEZNQCLSA-N 0 3 364.450 -0.502 20 0 FBADHN Cc1nc2n(n1)CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C2 ZINC000410441111 483804982 /nfs/dbraw/zinc/80/49/82/483804982.db2.gz XZUFBPZFKKWAIX-CQSZACIVSA-N 0 3 364.450 -0.502 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000410441992 483805822 /nfs/dbraw/zinc/80/58/22/483805822.db2.gz ZETDPNVKDVJJFX-UHFFFAOYSA-N 0 3 368.478 -0.364 20 0 FBADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000410442266 483805645 /nfs/dbraw/zinc/80/56/45/483805645.db2.gz ZMAHGDMABJAQAD-HNNXBMFYSA-N 0 3 368.478 -0.364 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000410442268 483805685 /nfs/dbraw/zinc/80/56/85/483805685.db2.gz ZMAHGDMABJAQAD-OAHLLOKOSA-N 0 3 368.478 -0.364 20 0 FBADHN O=C(C(=O)N1CCCC[C@@H](N2CCCC2)C1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000410446047 483805831 /nfs/dbraw/zinc/80/58/31/483805831.db2.gz MCVOYTHEHDLMFB-MCIONIFRSA-N 0 3 362.430 -0.806 20 0 FBADHN O=C(C(=O)N1CCCC[C@H](N2CCCC2)C1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000410446048 483805614 /nfs/dbraw/zinc/80/56/14/483805614.db2.gz MCVOYTHEHDLMFB-MELADBBJSA-N 0 3 362.430 -0.806 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000410447172 483805782 /nfs/dbraw/zinc/80/57/82/483805782.db2.gz NCNPVGJSYXNTJF-KBPBESRZSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000410447202 483805977 /nfs/dbraw/zinc/80/59/77/483805977.db2.gz NCNPVGJSYXNTJF-KGLIPLIRSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000410447206 483805670 /nfs/dbraw/zinc/80/56/70/483805670.db2.gz NCNPVGJSYXNTJF-UONOGXRCSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000410447208 483805558 /nfs/dbraw/zinc/80/55/58/483805558.db2.gz NCNPVGJSYXNTJF-ZIAGYGMSSA-N 0 3 352.435 -0.824 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000410449503 483806290 /nfs/dbraw/zinc/80/62/90/483806290.db2.gz OZDFZQHVLOXANP-AWEZNQCLSA-N 0 3 365.478 -0.007 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000410449505 483806457 /nfs/dbraw/zinc/80/64/57/483806457.db2.gz OZDFZQHVLOXANP-CQSZACIVSA-N 0 3 365.478 -0.007 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000410450655 483806365 /nfs/dbraw/zinc/80/63/65/483806365.db2.gz QCOZXDSBJXKZLQ-MRXNPFEDSA-N 0 3 366.506 -0.012 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000410451155 483804991 /nfs/dbraw/zinc/80/49/91/483804991.db2.gz PJPBRNIEMHZVHW-GFCCVEGCSA-N 0 3 361.402 -0.914 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000410451157 483805124 /nfs/dbraw/zinc/80/51/24/483805124.db2.gz PJPBRNIEMHZVHW-LBPRGKRZSA-N 0 3 361.402 -0.914 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000410455262 483806342 /nfs/dbraw/zinc/80/63/42/483806342.db2.gz XIVBITASCLVPOV-CABCVRRESA-N 0 3 366.462 -0.563 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000410455264 483806188 /nfs/dbraw/zinc/80/61/88/483806188.db2.gz XIVBITASCLVPOV-GJZGRUSLSA-N 0 3 366.462 -0.563 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000410455266 483806183 /nfs/dbraw/zinc/80/61/83/483806183.db2.gz XIVBITASCLVPOV-HUUCEWRRSA-N 0 3 366.462 -0.563 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000410455268 483806505 /nfs/dbraw/zinc/80/65/05/483806505.db2.gz XIVBITASCLVPOV-LSDHHAIUSA-N 0 3 366.462 -0.563 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000410455667 483806433 /nfs/dbraw/zinc/80/64/33/483806433.db2.gz YEUCHHQUNPIKDC-CABCVRRESA-N 0 3 365.478 -0.007 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000410455668 483806500 /nfs/dbraw/zinc/80/65/00/483806500.db2.gz YEUCHHQUNPIKDC-GJZGRUSLSA-N 0 3 365.478 -0.007 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000410455669 483806145 /nfs/dbraw/zinc/80/61/45/483806145.db2.gz YEUCHHQUNPIKDC-HUUCEWRRSA-N 0 3 365.478 -0.007 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000410455671 483806131 /nfs/dbraw/zinc/80/61/31/483806131.db2.gz YEUCHHQUNPIKDC-LSDHHAIUSA-N 0 3 365.478 -0.007 20 0 FBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000410463229 483807142 /nfs/dbraw/zinc/80/71/42/483807142.db2.gz AGUORMPZUKTAKB-HNNXBMFYSA-N 0 3 367.494 -0.839 20 0 FBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000410463230 483806651 /nfs/dbraw/zinc/80/66/51/483806651.db2.gz AGUORMPZUKTAKB-OAHLLOKOSA-N 0 3 367.494 -0.839 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000410463333 483807068 /nfs/dbraw/zinc/80/70/68/483807068.db2.gz ASYUPTMXAMOKPN-LLVKDONJSA-N 0 3 364.368 -0.228 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000410463334 483806777 /nfs/dbraw/zinc/80/67/77/483806777.db2.gz ASYUPTMXAMOKPN-NSHDSACASA-N 0 3 364.368 -0.228 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410463941 483807554 /nfs/dbraw/zinc/80/75/54/483807554.db2.gz CIKROVVCPHGIBW-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410463944 483807686 /nfs/dbraw/zinc/80/76/86/483807686.db2.gz CIKROVVCPHGIBW-OLZOCXBDSA-N 0 3 360.480 -0.921 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410463947 483807217 /nfs/dbraw/zinc/80/72/17/483807217.db2.gz CIKROVVCPHGIBW-QWHCGFSZSA-N 0 3 360.480 -0.921 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410463948 483807519 /nfs/dbraw/zinc/80/75/19/483807519.db2.gz CIKROVVCPHGIBW-STQMWFEESA-N 0 3 360.480 -0.921 20 0 FBADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000410464187 483807593 /nfs/dbraw/zinc/80/75/93/483807593.db2.gz CPWXMPZOBNUPSD-CABCVRRESA-N 0 3 368.478 -0.365 20 0 FBADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000410464188 483807618 /nfs/dbraw/zinc/80/76/18/483807618.db2.gz CPWXMPZOBNUPSD-GJZGRUSLSA-N 0 3 368.478 -0.365 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000410464189 483807769 /nfs/dbraw/zinc/80/77/69/483807769.db2.gz CPWXMPZOBNUPSD-HUUCEWRRSA-N 0 3 368.478 -0.365 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000410464190 483807509 /nfs/dbraw/zinc/80/75/09/483807509.db2.gz CPWXMPZOBNUPSD-LSDHHAIUSA-N 0 3 368.478 -0.365 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000410464782 483807613 /nfs/dbraw/zinc/80/76/13/483807613.db2.gz FDJVJXVPNUDIGA-HNNXBMFYSA-N 0 3 360.462 -0.014 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000410464783 483807753 /nfs/dbraw/zinc/80/77/53/483807753.db2.gz FDJVJXVPNUDIGA-OAHLLOKOSA-N 0 3 360.462 -0.014 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410465025 483807587 /nfs/dbraw/zinc/80/75/87/483807587.db2.gz FTCYCILSCZBOIY-KBPBESRZSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410465027 483807711 /nfs/dbraw/zinc/80/77/11/483807711.db2.gz FTCYCILSCZBOIY-KGLIPLIRSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410465028 483807393 /nfs/dbraw/zinc/80/73/93/483807393.db2.gz FTCYCILSCZBOIY-UONOGXRCSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410465030 483807342 /nfs/dbraw/zinc/80/73/42/483807342.db2.gz FTCYCILSCZBOIY-ZIAGYGMSSA-N 0 3 374.507 -0.532 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000410465277 483807268 /nfs/dbraw/zinc/80/72/68/483807268.db2.gz GDQDAFGOBBOSHS-AWEZNQCLSA-N 0 3 368.478 -0.365 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000410465279 483807747 /nfs/dbraw/zinc/80/77/47/483807747.db2.gz GDQDAFGOBBOSHS-CQSZACIVSA-N 0 3 368.478 -0.365 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410465689 483807568 /nfs/dbraw/zinc/80/75/68/483807568.db2.gz HFAHPBCUZQOOSF-CXAGYDPISA-N 0 3 355.435 -0.423 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410465690 483807199 /nfs/dbraw/zinc/80/71/99/483807199.db2.gz HFAHPBCUZQOOSF-DYVFJYSZSA-N 0 3 355.435 -0.423 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410465809 483807229 /nfs/dbraw/zinc/80/72/29/483807229.db2.gz HFAHPBCUZQOOSF-GUYCJALGSA-N 0 3 355.435 -0.423 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410465810 483807668 /nfs/dbraw/zinc/80/76/68/483807668.db2.gz HFAHPBCUZQOOSF-SUMWQHHRSA-N 0 3 355.435 -0.423 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCn3ccnc3C2)CCN1C1CCN(C)CC1 ZINC000410466769 483808283 /nfs/dbraw/zinc/80/82/83/483808283.db2.gz PABXNDCKXGHSHT-HNNXBMFYSA-N 0 3 374.489 -0.148 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCn3ccnc3C2)CCN1C1CCN(C)CC1 ZINC000410466771 483808399 /nfs/dbraw/zinc/80/83/99/483808399.db2.gz PABXNDCKXGHSHT-OAHLLOKOSA-N 0 3 374.489 -0.148 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCN1CC(C)(C)O ZINC000410469744 483808323 /nfs/dbraw/zinc/80/83/23/483808323.db2.gz OCDLBAFSIMYHFR-CABCVRRESA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCN1CC(C)(C)O ZINC000410469745 483808167 /nfs/dbraw/zinc/80/81/67/483808167.db2.gz OCDLBAFSIMYHFR-GJZGRUSLSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCN1CC(C)(C)O ZINC000410469746 483807864 /nfs/dbraw/zinc/80/78/64/483807864.db2.gz OCDLBAFSIMYHFR-HUUCEWRRSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCN1CC(C)(C)O ZINC000410469748 483808223 /nfs/dbraw/zinc/80/82/23/483808223.db2.gz OCDLBAFSIMYHFR-LSDHHAIUSA-N 0 3 354.495 -0.157 20 0 FBADHN CN(C)C1(CN(C)C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CCC1 ZINC000410470581 483808150 /nfs/dbraw/zinc/80/81/50/483808150.db2.gz PDHBLQRAOCHRDU-UHFFFAOYSA-N 0 3 354.495 -0.156 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@@H]2C)CCN1C[C@@H](C)O ZINC000410470706 483808461 /nfs/dbraw/zinc/80/84/61/483808461.db2.gz DZDLZAYKJPDBRW-ARFHVFGLSA-N 0 3 354.495 -0.157 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@H]2C)CCN1C[C@@H](C)O ZINC000410470708 483808278 /nfs/dbraw/zinc/80/82/78/483808278.db2.gz DZDLZAYKJPDBRW-BZUAXINKSA-N 0 3 354.495 -0.157 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@@H]2C)CCN1C[C@H](C)O ZINC000410470710 483808122 /nfs/dbraw/zinc/80/81/22/483808122.db2.gz DZDLZAYKJPDBRW-HRCADAONSA-N 0 3 354.495 -0.157 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@H]2C)CCN1C[C@H](C)O ZINC000410470713 483807919 /nfs/dbraw/zinc/80/79/19/483807919.db2.gz DZDLZAYKJPDBRW-OWCLPIDISA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000410471788 483808245 /nfs/dbraw/zinc/80/82/45/483808245.db2.gz GOUVRGDVLMJFFH-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000410471789 483808352 /nfs/dbraw/zinc/80/83/52/483808352.db2.gz GOUVRGDVLMJFFH-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000410473983 483808827 /nfs/dbraw/zinc/80/88/27/483808827.db2.gz KJSMMCOGOKWSIA-UHFFFAOYSA-N 0 3 362.478 -0.382 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000410474454 483808989 /nfs/dbraw/zinc/80/89/89/483808989.db2.gz KWBAEIMNSFVCSE-UHFFFAOYSA-N 0 3 362.478 -0.383 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000410474784 483806901 /nfs/dbraw/zinc/80/69/01/483806901.db2.gz YETBGOBARDKXQB-HNNXBMFYSA-N 0 3 362.478 -0.383 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000410474786 483806642 /nfs/dbraw/zinc/80/66/42/483806642.db2.gz YETBGOBARDKXQB-OAHLLOKOSA-N 0 3 362.478 -0.383 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000410474811 483806716 /nfs/dbraw/zinc/80/67/16/483806716.db2.gz LTXVJQWTAHFLBY-INIZCTEOSA-N 0 3 362.478 -0.383 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000410474814 483806668 /nfs/dbraw/zinc/80/66/68/483806668.db2.gz LTXVJQWTAHFLBY-MRXNPFEDSA-N 0 3 362.478 -0.383 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@H]2C)CCN1CC(C)(C)O ZINC000410477394 483807767 /nfs/dbraw/zinc/80/77/67/483807767.db2.gz TZZVRQYYTJUESO-CABCVRRESA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@@H]2C)CCN1CC(C)(C)O ZINC000410477395 483807420 /nfs/dbraw/zinc/80/74/20/483807420.db2.gz TZZVRQYYTJUESO-GJZGRUSLSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@H]2C)CCN1CC(C)(C)O ZINC000410477396 483807314 /nfs/dbraw/zinc/80/73/14/483807314.db2.gz TZZVRQYYTJUESO-HUUCEWRRSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC[C@@H]2C)CCN1CC(C)(C)O ZINC000410477397 483807376 /nfs/dbraw/zinc/80/73/76/483807376.db2.gz TZZVRQYYTJUESO-LSDHHAIUSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000410477572 483807582 /nfs/dbraw/zinc/80/75/82/483807582.db2.gz UZJDJFUUIDAKKR-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000410477573 483807328 /nfs/dbraw/zinc/80/73/28/483807328.db2.gz UZJDJFUUIDAKKR-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000410477574 483807488 /nfs/dbraw/zinc/80/74/88/483807488.db2.gz UZJDJFUUIDAKKR-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000410477575 483807285 /nfs/dbraw/zinc/80/72/85/483807285.db2.gz UZJDJFUUIDAKKR-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000410479874 483810663 /nfs/dbraw/zinc/81/06/63/483810663.db2.gz XCNPIQQJDRTFHB-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN 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C[C@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)CCN1C1CCN(C)CC1 ZINC000410720921 484007620 /nfs/dbraw/zinc/00/76/20/484007620.db2.gz KVPRNJKMFGKMFO-HNAYVOBHSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)CCN1C1CCN(C)CC1 ZINC000410720922 484007219 /nfs/dbraw/zinc/00/72/19/484007219.db2.gz KVPRNJKMFGKMFO-KXBFYZLASA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)CCN1C1CCN(C)CC1 ZINC000410727404 484025497 /nfs/dbraw/zinc/02/54/97/484025497.db2.gz AZMOHNWTDMEXSC-HNNXBMFYSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)CC2(O)CCC2)CCN1C1CCN(C)CC1 ZINC000410727405 484026225 /nfs/dbraw/zinc/02/62/25/484026225.db2.gz AZMOHNWTDMEXSC-OAHLLOKOSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C[C@H](C)N1CCO ZINC000410728617 484033828 /nfs/dbraw/zinc/03/38/28/484033828.db2.gz FIPCAYRLYJLZEV-CAOSSQGBSA-N 0 3 354.495 -0.302 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C[C@H](C)N1CCO ZINC000410728618 484032509 /nfs/dbraw/zinc/03/25/09/484032509.db2.gz FIPCAYRLYJLZEV-JONQDZQNSA-N 0 3 354.495 -0.302 20 0 FBADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000410728619 484032444 /nfs/dbraw/zinc/03/24/44/484032444.db2.gz FIPCAYRLYJLZEV-LVQVYYBASA-N 0 3 354.495 -0.302 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000410728620 484031305 /nfs/dbraw/zinc/03/13/05/484031305.db2.gz FIPCAYRLYJLZEV-WCVJEAGWSA-N 0 3 354.495 -0.302 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC000410728952 484037254 /nfs/dbraw/zinc/03/72/54/484037254.db2.gz GSLHTNMVXDLKIE-KFWWJZLASA-N 0 3 365.478 -0.010 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC000410728953 484037176 /nfs/dbraw/zinc/03/71/76/484037176.db2.gz GSLHTNMVXDLKIE-ZNMIVQPWSA-N 0 3 365.478 -0.010 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410729213 484034610 /nfs/dbraw/zinc/03/46/10/484034610.db2.gz HPSUNQYDJDIGIP-GLJUWKHASA-N 0 3 367.446 -0.280 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410729214 484035114 /nfs/dbraw/zinc/03/51/14/484035114.db2.gz HPSUNQYDJDIGIP-QWQRMKEZSA-N 0 3 367.446 -0.280 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCN1C ZINC000410729945 484040706 /nfs/dbraw/zinc/04/07/06/484040706.db2.gz LCFZSPYSJHPWHV-DLBZAZTESA-N 0 3 366.506 -0.034 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCN1C ZINC000410729946 484041416 /nfs/dbraw/zinc/04/14/16/484041416.db2.gz LCFZSPYSJHPWHV-IAGOWNOFSA-N 0 3 366.506 -0.034 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCN1C ZINC000410729947 484040596 /nfs/dbraw/zinc/04/05/96/484040596.db2.gz LCFZSPYSJHPWHV-IRXDYDNUSA-N 0 3 366.506 -0.034 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCN1C ZINC000410729948 484041276 /nfs/dbraw/zinc/04/12/76/484041276.db2.gz LCFZSPYSJHPWHV-SJORKVTESA-N 0 3 366.506 -0.034 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000410730322 484044363 /nfs/dbraw/zinc/04/43/63/484044363.db2.gz MCHVXLQGXXUPFV-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000410730366 484044419 /nfs/dbraw/zinc/04/44/19/484044419.db2.gz MHRYAPRQOCPLFQ-KGLIPLIRSA-N 0 3 372.491 -0.825 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCn3cncc3C2)CCN1C1CCN(C)CC1 ZINC000410730417 484044283 /nfs/dbraw/zinc/04/42/83/484044283.db2.gz MOGDUTYSAPCNBJ-HNNXBMFYSA-N 0 3 374.489 -0.148 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCn3cncc3C2)CCN1C1CCN(C)CC1 ZINC000410730489 484042826 /nfs/dbraw/zinc/04/28/26/484042826.db2.gz MOGDUTYSAPCNBJ-OAHLLOKOSA-N 0 3 374.489 -0.148 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C)CC2)CCN1C1CCN(C)CC1 ZINC000410731320 484048175 /nfs/dbraw/zinc/04/81/75/484048175.db2.gz ORWLUQUTFVTCSR-HNNXBMFYSA-N 0 3 351.495 -0.613 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)CC2)CCN1C1CCN(C)CC1 ZINC000410731321 484047854 /nfs/dbraw/zinc/04/78/54/484047854.db2.gz ORWLUQUTFVTCSR-OAHLLOKOSA-N 0 3 351.495 -0.613 20 0 FBADHN CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCN(C)[C@@H](C(C)C)C2)N(C)C1 ZINC000410732382 484050436 /nfs/dbraw/zinc/05/04/36/484050436.db2.gz SCTFWXHYJWIEJQ-HRCADAONSA-N 0 3 354.495 -0.038 20 0 FBADHN CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCN(C)[C@H](C(C)C)C2)N(C)C1 ZINC000410732383 484050580 /nfs/dbraw/zinc/05/05/80/484050580.db2.gz SCTFWXHYJWIEJQ-JYJNAYRXSA-N 0 3 354.495 -0.038 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410733150 484049993 /nfs/dbraw/zinc/04/99/93/484049993.db2.gz OALIEAHNJNIXLD-YQQAZPJKSA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000410735376 484049359 /nfs/dbraw/zinc/04/93/59/484049359.db2.gz XVIRIYDIJLIRJU-CAOSSQGBSA-N 0 3 354.495 -0.159 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000410735378 484049760 /nfs/dbraw/zinc/04/97/60/484049760.db2.gz XVIRIYDIJLIRJU-JONQDZQNSA-N 0 3 354.495 -0.159 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CCN1C ZINC000410735380 484048913 /nfs/dbraw/zinc/04/89/13/484048913.db2.gz XVIRIYDIJLIRJU-LVQVYYBASA-N 0 3 354.495 -0.159 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CCN1C ZINC000410735381 484049032 /nfs/dbraw/zinc/04/90/32/484049032.db2.gz XVIRIYDIJLIRJU-WCVJEAGWSA-N 0 3 354.495 -0.159 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000410736004 484049135 /nfs/dbraw/zinc/04/91/35/484049135.db2.gz KTVVOPRHQPZCIC-CVEARBPZSA-N 0 3 354.495 -0.034 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000410736005 484049889 /nfs/dbraw/zinc/04/98/89/484049889.db2.gz KTVVOPRHQPZCIC-HOTGVXAUSA-N 0 3 354.495 -0.034 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000410736006 484049597 /nfs/dbraw/zinc/04/95/97/484049597.db2.gz KTVVOPRHQPZCIC-HZPDHXFCSA-N 0 3 354.495 -0.034 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000410736007 484050530 /nfs/dbraw/zinc/05/05/30/484050530.db2.gz KTVVOPRHQPZCIC-JKSUJKDBSA-N 0 3 354.495 -0.034 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)CC1 ZINC000410742443 484056962 /nfs/dbraw/zinc/05/69/62/484056962.db2.gz IBNLLVOZFIUSNN-KBPBESRZSA-N 0 3 362.430 -0.032 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)CC1 ZINC000410742444 484057855 /nfs/dbraw/zinc/05/78/55/484057855.db2.gz IBNLLVOZFIUSNN-KGLIPLIRSA-N 0 3 362.430 -0.032 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H](CO)[C@@H]2C)CC1 ZINC000410742445 484057710 /nfs/dbraw/zinc/05/77/10/484057710.db2.gz IBNLLVOZFIUSNN-UONOGXRCSA-N 0 3 362.430 -0.032 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H](CO)[C@H]2C)CC1 ZINC000410742446 484057092 /nfs/dbraw/zinc/05/70/92/484057092.db2.gz IBNLLVOZFIUSNN-ZIAGYGMSSA-N 0 3 362.430 -0.032 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)CC1 ZINC000410748533 484052741 /nfs/dbraw/zinc/05/27/41/484052741.db2.gz XSNVELPRPGTOMS-CABCVRRESA-N 0 3 368.478 -0.772 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)CC1 ZINC000410748535 484052705 /nfs/dbraw/zinc/05/27/05/484052705.db2.gz XSNVELPRPGTOMS-GJZGRUSLSA-N 0 3 368.478 -0.772 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](CO)[C@H]2C)CC1 ZINC000410748537 484052714 /nfs/dbraw/zinc/05/27/14/484052714.db2.gz XSNVELPRPGTOMS-HUUCEWRRSA-N 0 3 368.478 -0.772 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](CO)[C@@H]2C)CC1 ZINC000410748538 484052622 /nfs/dbraw/zinc/05/26/22/484052622.db2.gz XSNVELPRPGTOMS-LSDHHAIUSA-N 0 3 368.478 -0.772 20 0 FBADHN CCN(CCCO)C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000410752908 484054241 /nfs/dbraw/zinc/05/42/41/484054241.db2.gz JDHIKCKLGQXWAJ-UHFFFAOYSA-N 0 3 350.419 -0.030 20 0 FBADHN CCN(CCCO)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000410754895 484054222 /nfs/dbraw/zinc/05/42/22/484054222.db2.gz PQESKTVYKSSDQG-HNNXBMFYSA-N 0 3 354.495 -0.156 20 0 FBADHN CCN(CCCO)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000410754896 484054528 /nfs/dbraw/zinc/05/45/28/484054528.db2.gz PQESKTVYKSSDQG-OAHLLOKOSA-N 0 3 354.495 -0.156 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(CC)CCCO)CC1 ZINC000410756817 484054308 /nfs/dbraw/zinc/05/43/08/484054308.db2.gz XRALBAXXJVJBGA-UHFFFAOYSA-N 0 3 356.467 -0.770 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000410766859 484060148 /nfs/dbraw/zinc/06/01/48/484060148.db2.gz MBCHHYUNHIJMFF-AWEZNQCLSA-N 0 3 356.467 -0.460 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000410766860 484061387 /nfs/dbraw/zinc/06/13/87/484061387.db2.gz MBCHHYUNHIJMFF-CQSZACIVSA-N 0 3 356.467 -0.460 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)N1CCN(C(=O)COC)CC1 ZINC000410767093 484060507 /nfs/dbraw/zinc/06/05/07/484060507.db2.gz NAZLSUHRMSSWFC-UHFFFAOYSA-N 0 3 370.494 -0.116 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000410767285 484060347 /nfs/dbraw/zinc/06/03/47/484060347.db2.gz 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CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410888681 484099137 /nfs/dbraw/zinc/09/91/37/484099137.db2.gz LNURYXFTOTXIBP-STQMWFEESA-N 0 3 360.480 -0.921 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410888747 484098720 /nfs/dbraw/zinc/09/87/20/484098720.db2.gz WPVGCTWFFZTFFA-UHFFFAOYSA-N 0 3 350.467 -0.148 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410888808 484099186 /nfs/dbraw/zinc/09/91/86/484099186.db2.gz LTJQYJSWIAQRPA-CYBMUJFWSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410888809 484099345 /nfs/dbraw/zinc/09/93/45/484099345.db2.gz LTJQYJSWIAQRPA-ZDUSSCGKSA-N 0 3 360.480 -0.921 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000410889132 484098148 /nfs/dbraw/zinc/09/81/48/484098148.db2.gz XUJZQLWWSFEOGV-UHFFFAOYSA-N 0 3 355.483 -0.807 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000410889308 484098082 /nfs/dbraw/zinc/09/80/82/484098082.db2.gz YHWMQZUKIBIMJB-UHFFFAOYSA-N 0 3 355.483 -0.935 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410889699 484100817 /nfs/dbraw/zinc/10/08/17/484100817.db2.gz ZQGDHHQODFCUFK-CYBMUJFWSA-N 0 3 362.496 -0.675 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000410889700 484100473 /nfs/dbraw/zinc/10/04/73/484100473.db2.gz ZQGDHHQODFCUFK-ZDUSSCGKSA-N 0 3 362.496 -0.675 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000410890064 484101065 /nfs/dbraw/zinc/10/10/65/484101065.db2.gz CDTMZDYAXPYIKZ-HNNXBMFYSA-N 0 3 368.478 -0.365 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000410890066 484101139 /nfs/dbraw/zinc/10/11/39/484101139.db2.gz CDTMZDYAXPYIKZ-OAHLLOKOSA-N 0 3 368.478 -0.365 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000410890241 484100027 /nfs/dbraw/zinc/10/00/27/484100027.db2.gz PRZWKAPBJNHYFJ-CYBMUJFWSA-N 0 3 374.507 -0.531 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000410890242 484100981 /nfs/dbraw/zinc/10/09/81/484100981.db2.gz PRZWKAPBJNHYFJ-ZDUSSCGKSA-N 0 3 374.507 -0.531 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N(CCO)C2CCC2)CC1 ZINC000410890688 484100655 /nfs/dbraw/zinc/10/06/55/484100655.db2.gz GITHHDCBSCUMNQ-HNNXBMFYSA-N 0 3 366.462 -0.875 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N(CCO)C2CCC2)CC1 ZINC000410890689 484100634 /nfs/dbraw/zinc/10/06/34/484100634.db2.gz GITHHDCBSCUMNQ-OAHLLOKOSA-N 0 3 366.462 -0.875 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000410891678 484093443 /nfs/dbraw/zinc/09/34/43/484093443.db2.gz KIHBXGDSKOALKC-UHFFFAOYSA-N 0 3 369.510 -0.546 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(CCO)C2CCC2)CC1 ZINC000410893867 484093846 /nfs/dbraw/zinc/09/38/46/484093846.db2.gz SZHXSQRXKLINFB-UHFFFAOYSA-N 0 3 368.478 -0.628 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410894111 484095713 /nfs/dbraw/zinc/09/57/13/484095713.db2.gz ZWDBWMOFUCAOGB-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410894112 484094900 /nfs/dbraw/zinc/09/49/00/484094900.db2.gz ZWDBWMOFUCAOGB-ZDUSSCGKSA-N 0 3 360.480 -0.919 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N(CCO)C2CCC2)CC1 ZINC000410894447 484094945 /nfs/dbraw/zinc/09/49/45/484094945.db2.gz UOEWBEXKNPSFCY-UHFFFAOYSA-N 0 3 366.462 -0.874 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CCN1C1CCN(C)CC1 ZINC000410894876 484095076 /nfs/dbraw/zinc/09/50/76/484095076.db2.gz WIQFSSXMVDNKJF-HNNXBMFYSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CCN1C1CCN(C)CC1 ZINC000410894888 484094870 /nfs/dbraw/zinc/09/48/70/484094870.db2.gz WIQFSSXMVDNKJF-OAHLLOKOSA-N 0 3 366.506 -0.013 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000410895701 484094733 /nfs/dbraw/zinc/09/47/33/484094733.db2.gz YXTCEWLMGYLTSN-UHFFFAOYSA-N 0 3 367.494 -0.792 20 0 FBADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000410911202 484103371 /nfs/dbraw/zinc/10/33/71/484103371.db2.gz CMZZPHRXFUYVQX-HNNXBMFYSA-N 0 3 368.478 -0.365 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000410911203 484103647 /nfs/dbraw/zinc/10/36/47/484103647.db2.gz CMZZPHRXFUYVQX-OAHLLOKOSA-N 0 3 368.478 -0.365 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410911231 484104214 /nfs/dbraw/zinc/10/42/14/484104214.db2.gz CSTDCRHNYSSZPO-CYBMUJFWSA-N 0 3 360.480 -0.921 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410911232 484103554 /nfs/dbraw/zinc/10/35/54/484103554.db2.gz CSTDCRHNYSSZPO-ZDUSSCGKSA-N 0 3 360.480 -0.921 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410911634 484103959 /nfs/dbraw/zinc/10/39/59/484103959.db2.gz DOWKMQCLYHFOPA-AWEZNQCLSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410911635 484103447 /nfs/dbraw/zinc/10/34/47/484103447.db2.gz DOWKMQCLYHFOPA-CQSZACIVSA-N 0 3 374.507 -0.532 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410916957 484110844 /nfs/dbraw/zinc/11/08/44/484110844.db2.gz SDUNEZBFTCOHFF-KRWDZBQOSA-N 0 3 355.435 -0.423 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410916958 484110642 /nfs/dbraw/zinc/11/06/42/484110642.db2.gz SDUNEZBFTCOHFF-QGZVFWFLSA-N 0 3 355.435 -0.423 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000410918513 484110952 /nfs/dbraw/zinc/11/09/52/484110952.db2.gz ZCWYRIZONJCINH-UHFFFAOYSA-N 0 3 364.368 -0.228 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](COCC4CC4)C3)C[C@@H]21 ZINC000410928037 484122383 /nfs/dbraw/zinc/12/23/83/484122383.db2.gz VGOPQXCFRATNPD-OAGGEKHMSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](COCC4CC4)C3)C[C@@H]21 ZINC000410928038 484122147 /nfs/dbraw/zinc/12/21/47/484122147.db2.gz VGOPQXCFRATNPD-PMPSAXMXSA-N 0 3 351.447 -0.197 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CCOC)CC1 ZINC000410929025 484122229 /nfs/dbraw/zinc/12/22/29/484122229.db2.gz ZDWSHDJIZLKNIA-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@]2(CCOC2)O1 ZINC000410933787 661632018 /nfs/dbraw/zinc/63/20/18/661632018.db2.gz ABJXECQHCYZXKL-AFIMGQEJSA-N 0 3 351.447 -0.055 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@]2(CCOC2)O1 ZINC000410933788 658920778 /nfs/dbraw/zinc/92/07/78/658920778.db2.gz ABJXECQHCYZXKL-BORJPKMPSA-N 0 3 351.447 -0.055 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@]2(CCOC2)O1 ZINC000410933789 661631981 /nfs/dbraw/zinc/63/19/81/661631981.db2.gz ABJXECQHCYZXKL-LUXYFRNMSA-N 0 3 351.447 -0.055 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@]2(CCOC2)O1 ZINC000410933790 661631990 /nfs/dbraw/zinc/63/19/90/661631990.db2.gz ABJXECQHCYZXKL-OIPACUDHSA-N 0 3 351.447 -0.055 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000410934729 484112698 /nfs/dbraw/zinc/11/26/98/484112698.db2.gz BWVAIVKJRZLCKJ-CVEARBPZSA-N 0 3 364.490 -0.237 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000410934731 484112654 /nfs/dbraw/zinc/11/26/54/484112654.db2.gz BWVAIVKJRZLCKJ-HOTGVXAUSA-N 0 3 364.490 -0.237 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000410934733 484111935 /nfs/dbraw/zinc/11/19/35/484111935.db2.gz BWVAIVKJRZLCKJ-HZPDHXFCSA-N 0 3 364.490 -0.237 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000410934735 484111654 /nfs/dbraw/zinc/11/16/54/484111654.db2.gz BWVAIVKJRZLCKJ-JKSUJKDBSA-N 0 3 364.490 -0.237 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@H](C)C1 ZINC000410935172 484112120 /nfs/dbraw/zinc/11/21/20/484112120.db2.gz DFSOFKNNFHJSFE-CABCVRRESA-N 0 3 368.478 -0.365 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@@H](C)C1 ZINC000410935173 484111817 /nfs/dbraw/zinc/11/18/17/484111817.db2.gz DFSOFKNNFHJSFE-GJZGRUSLSA-N 0 3 368.478 -0.365 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000410935175 484112037 /nfs/dbraw/zinc/11/20/37/484112037.db2.gz DFSOFKNNFHJSFE-HUUCEWRRSA-N 0 3 368.478 -0.365 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000410935177 484112534 /nfs/dbraw/zinc/11/25/34/484112534.db2.gz DFSOFKNNFHJSFE-LSDHHAIUSA-N 0 3 368.478 -0.365 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000410935784 484113486 /nfs/dbraw/zinc/11/34/86/484113486.db2.gz BWGNABKXJZQEQO-OAGGEKHMSA-N 0 3 352.479 -0.403 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1=O ZINC000410936537 484113766 /nfs/dbraw/zinc/11/37/66/484113766.db2.gz IFBAXGGTUBIJJO-UHFFFAOYSA-N 0 3 354.451 -0.752 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1=O ZINC000410936661 484114266 /nfs/dbraw/zinc/11/42/66/484114266.db2.gz IIPFPXZPJUQQKI-UHFFFAOYSA-N 0 3 368.478 -0.364 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CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000412005128 484223367 /nfs/dbraw/zinc/22/33/67/484223367.db2.gz UFIMHUXCEGRUMR-AWEZNQCLSA-N 0 3 353.467 -0.164 20 0 FBADHN CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000412005130 484223809 /nfs/dbraw/zinc/22/38/09/484223809.db2.gz UFIMHUXCEGRUMR-CQSZACIVSA-N 0 3 353.467 -0.164 20 0 FBADHN COC(=O)[C@@]1(C)CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000412080730 484225109 /nfs/dbraw/zinc/22/51/09/484225109.db2.gz WDEUJKVKBHURSG-KRWDZBQOSA-N 0 3 363.418 -0.291 20 0 FBADHN COC(=O)[C@]1(C)CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000412080736 484225736 /nfs/dbraw/zinc/22/57/36/484225736.db2.gz WDEUJKVKBHURSG-QGZVFWFLSA-N 0 3 363.418 -0.291 20 0 FBADHN CCCN1C[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1=O ZINC000412122496 484228860 /nfs/dbraw/zinc/22/88/60/484228860.db2.gz AVCAXISZJJNLPV-CYBMUJFWSA-N 0 3 364.450 -0.242 20 0 FBADHN CCCN1C[C@@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1=O ZINC000412122503 484228709 /nfs/dbraw/zinc/22/87/09/484228709.db2.gz AVCAXISZJJNLPV-ZDUSSCGKSA-N 0 3 364.450 -0.242 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 ZINC000412197744 484229549 /nfs/dbraw/zinc/22/95/49/484229549.db2.gz TUDRZZMENKDHSI-CHWSQXEVSA-N 0 3 353.467 -0.166 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 ZINC000412197745 484229083 /nfs/dbraw/zinc/22/90/83/484229083.db2.gz TUDRZZMENKDHSI-OLZOCXBDSA-N 0 3 353.467 -0.166 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 ZINC000412197746 484228778 /nfs/dbraw/zinc/22/87/78/484228778.db2.gz TUDRZZMENKDHSI-QWHCGFSZSA-N 0 3 353.467 -0.166 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 ZINC000412197747 484228904 /nfs/dbraw/zinc/22/89/04/484228904.db2.gz TUDRZZMENKDHSI-STQMWFEESA-N 0 3 353.467 -0.166 20 0 FBADHN COC(=O)c1cnc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cn1 ZINC000412317985 484232288 /nfs/dbraw/zinc/23/22/88/484232288.db2.gz FSWHLUQJWJGATB-GFCCVEGCSA-N 0 3 363.418 -0.016 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)O1 ZINC000412320111 484232541 /nfs/dbraw/zinc/23/25/41/484232541.db2.gz JUULBVQVLGZRIU-HZSPNIEDSA-N 0 3 355.435 -0.186 20 0 FBADHN C[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)NCC[NH+]1CCCCC1 ZINC000412325199 484231886 /nfs/dbraw/zinc/23/18/86/484231886.db2.gz XCYUBCOPYMBGNN-GFCCVEGCSA-N 0 3 364.450 -0.031 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000412325884 484231862 /nfs/dbraw/zinc/23/18/62/484231862.db2.gz YRAWTFGIMKBZAC-OAHLLOKOSA-N 0 3 369.510 -0.450 20 0 FBADHN COCc1ncc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c(N)n1 ZINC000412326227 484515906 /nfs/dbraw/zinc/51/59/06/484515906.db2.gz ZWACRJPWVDHBAN-GFCCVEGCSA-N 0 3 364.450 -0.074 20 0 FBADHN C[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N(C)C ZINC000412384452 484231637 /nfs/dbraw/zinc/23/16/37/484231637.db2.gz QGLBPIGVOKQMQR-LBPRGKRZSA-N 0 3 370.475 -0.267 20 0 FBADHN CNc1nc(C)cc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)n1 ZINC000412462287 484226523 /nfs/dbraw/zinc/22/65/23/484226523.db2.gz KHIUVUUMHBCMGT-UHFFFAOYSA-N 0 3 362.478 0.353 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000412536323 484234679 /nfs/dbraw/zinc/23/46/79/484234679.db2.gz QWUMPDDONMMYQS-FZKCQIBNSA-N 0 3 355.479 -0.043 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000412536325 484235046 /nfs/dbraw/zinc/23/50/46/484235046.db2.gz QWUMPDDONMMYQS-UGUYLWEFSA-N 0 3 355.479 -0.043 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000412536326 484235352 /nfs/dbraw/zinc/23/53/52/484235352.db2.gz QWUMPDDONMMYQS-VGWMRTNUSA-N 0 3 355.479 -0.043 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000412536328 484235212 /nfs/dbraw/zinc/23/52/12/484235212.db2.gz QWUMPDDONMMYQS-WCVJEAGWSA-N 0 3 355.479 -0.043 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)NCCCCN2CCOCC2)C1 ZINC000413110360 661633621 /nfs/dbraw/zinc/63/36/21/661633621.db2.gz OPPXSXDSBAUVLG-HNNXBMFYSA-N 0 3 356.467 -0.155 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)NCCCCN2CCOCC2)C1 ZINC000413110361 661633570 /nfs/dbraw/zinc/63/35/70/661633570.db2.gz OPPXSXDSBAUVLG-OAHLLOKOSA-N 0 3 356.467 -0.155 20 0 FBADHN COCCN1CCC(NC(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CC1 ZINC000413171666 484283640 /nfs/dbraw/zinc/28/36/40/484283640.db2.gz MYFJIBMWGGHYPY-AWEZNQCLSA-N 0 3 356.467 -0.157 20 0 FBADHN COCCN1CCC(NC(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413171668 484283413 /nfs/dbraw/zinc/28/34/13/484283413.db2.gz MYFJIBMWGGHYPY-CQSZACIVSA-N 0 3 356.467 -0.157 20 0 FBADHN CCC[C@H](O)[C@@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000413218023 484285743 /nfs/dbraw/zinc/28/57/43/484285743.db2.gz GKTKPEICBWGIOM-ILXRZTDVSA-N 0 3 358.483 -0.250 20 0 FBADHN CCC[C@H](O)[C@@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000413218024 484284711 /nfs/dbraw/zinc/28/47/11/484284711.db2.gz GKTKPEICBWGIOM-KFWWJZLASA-N 0 3 358.483 -0.250 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000413218025 484284847 /nfs/dbraw/zinc/28/48/47/484284847.db2.gz GKTKPEICBWGIOM-KKUMJFAQSA-N 0 3 358.483 -0.250 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000413218026 484285278 /nfs/dbraw/zinc/28/52/78/484285278.db2.gz GKTKPEICBWGIOM-ZNMIVQPWSA-N 0 3 358.483 -0.250 20 0 FBADHN COCCN(C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413246338 484285455 /nfs/dbraw/zinc/28/54/55/484285455.db2.gz OYYALBJHJWOJLG-UHFFFAOYSA-N 0 3 371.526 -0.340 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000413256472 484285025 /nfs/dbraw/zinc/28/50/25/484285025.db2.gz AWVLVKUYCJYHQG-CABCVRRESA-N 0 3 356.467 -0.157 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(C)C[C@H](C(=O)OC)C1 ZINC000413256475 484285618 /nfs/dbraw/zinc/28/56/18/484285618.db2.gz AWVLVKUYCJYHQG-GJZGRUSLSA-N 0 3 356.467 -0.157 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000413256477 484285434 /nfs/dbraw/zinc/28/54/34/484285434.db2.gz AWVLVKUYCJYHQG-HUUCEWRRSA-N 0 3 356.467 -0.157 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(C)C[C@H](C(=O)OC)C1 ZINC000413256478 484285548 /nfs/dbraw/zinc/28/55/48/484285548.db2.gz AWVLVKUYCJYHQG-LSDHHAIUSA-N 0 3 356.467 -0.157 20 0 FBADHN COCCN1CC[C@H](NC(=O)N2CCN(C(COC)COC)CC2)C1 ZINC000413306466 484286443 /nfs/dbraw/zinc/28/64/43/484286443.db2.gz YEASCMKUGHROAP-HNNXBMFYSA-N 0 3 358.483 -0.304 20 0 FBADHN COCCN1CC[C@@H](NC(=O)N2CCN(C(COC)COC)CC2)C1 ZINC000413306468 484286987 /nfs/dbraw/zinc/28/69/87/484286987.db2.gz YEASCMKUGHROAP-OAHLLOKOSA-N 0 3 358.483 -0.304 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000413313556 484286818 /nfs/dbraw/zinc/28/68/18/484286818.db2.gz LKCRIVGYQODFHP-CVEARBPZSA-N 0 3 369.510 -0.384 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000413313559 484287699 /nfs/dbraw/zinc/28/76/99/484287699.db2.gz LKCRIVGYQODFHP-HOTGVXAUSA-N 0 3 369.510 -0.384 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000413313561 484287572 /nfs/dbraw/zinc/28/75/72/484287572.db2.gz LKCRIVGYQODFHP-HZPDHXFCSA-N 0 3 369.510 -0.384 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000413313562 484286923 /nfs/dbraw/zinc/28/69/23/484286923.db2.gz LKCRIVGYQODFHP-JKSUJKDBSA-N 0 3 369.510 -0.384 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000413314503 484287849 /nfs/dbraw/zinc/28/78/49/484287849.db2.gz UEFCRIIYLBVBDI-CABCVRRESA-N 0 3 356.467 -0.299 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000413314505 484286584 /nfs/dbraw/zinc/28/65/84/484286584.db2.gz UEFCRIIYLBVBDI-GJZGRUSLSA-N 0 3 356.467 -0.299 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000413314507 484287351 /nfs/dbraw/zinc/28/73/51/484287351.db2.gz UEFCRIIYLBVBDI-HUUCEWRRSA-N 0 3 356.467 -0.299 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000413314509 484286970 /nfs/dbraw/zinc/28/69/70/484286970.db2.gz UEFCRIIYLBVBDI-LSDHHAIUSA-N 0 3 356.467 -0.299 20 0 FBADHN Cc1ccc(C[C@@H](CO)Nc2nc(NCCO)nc(NC(C)C)n2)cc1C ZINC000413380236 484289441 /nfs/dbraw/zinc/28/94/41/484289441.db2.gz NACJKKRNTYWKLN-INIZCTEOSA-N 0 3 374.489 -0.006 20 0 FBADHN Cc1ccc(C[C@H](CO)Nc2nc(NCCO)nc(NC(C)C)n2)cc1C ZINC000413380239 484288894 /nfs/dbraw/zinc/28/88/94/484288894.db2.gz NACJKKRNTYWKLN-MRXNPFEDSA-N 0 3 374.489 -0.006 20 0 FBADHN CCNc1nc(NC(C)(C)C)nc(N2CCN(CC(N)=O)C(=O)C2)n1 ZINC000413421670 484291061 /nfs/dbraw/zinc/29/10/61/484291061.db2.gz LANMDSYJGZOYDW-UHFFFAOYSA-N 0 3 350.427 -0.930 20 0 FBADHN COc1cccc2c1C[C@H](Nc1nc(NCCO)nc(NC(C)C)n1)C2 ZINC000413430390 484289545 /nfs/dbraw/zinc/28/95/45/484289545.db2.gz UBNMJTCLKQGXLO-CYBMUJFWSA-N 0 3 358.446 -0.050 20 0 FBADHN COc1cccc2c1C[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)C2 ZINC000413430392 484289289 /nfs/dbraw/zinc/28/92/89/484289289.db2.gz UBNMJTCLKQGXLO-ZDUSSCGKSA-N 0 3 358.446 -0.050 20 0 FBADHN CNc1nc(N[C@H](C)c2ccn(C)n2)nc(N[C@@H](C)c2ccn(C)n2)n1 ZINC000413451638 484291674 /nfs/dbraw/zinc/29/16/74/484291674.db2.gz GRGXRDMETMXWKE-PHIMTYICSA-N 0 3 356.438 -0.008 20 0 FBADHN C[C@H](O)CNc1cc(NCC2(N3CCOCC3)CCN(C)CC2)ncn1 ZINC000413480334 484136811 /nfs/dbraw/zinc/13/68/11/484136811.db2.gz LKYNYCSCCPHOSV-HNNXBMFYSA-N 0 3 364.494 0.478 20 0 FBADHN C[C@@H](O)CNc1cc(NCC2(N3CCOCC3)CCN(C)CC2)ncn1 ZINC000413480335 484483077 /nfs/dbraw/zinc/48/30/77/484483077.db2.gz LKYNYCSCCPHOSV-OAHLLOKOSA-N 0 3 364.494 0.478 20 0 FBADHN CCNC(=O)c1ccc(NCC2(N3CCOCC3)CCN(C)CC2)nn1 ZINC000413483865 484357159 /nfs/dbraw/zinc/35/71/59/484357159.db2.gz SANXDUAYGQGZBR-UHFFFAOYSA-N 0 3 362.478 0.435 20 0 FBADHN Cn1ncc2c1nc(NCC1(N3CCOCC3)CCN(C)CC1)nc2N ZINC000413485702 484113489 /nfs/dbraw/zinc/11/34/89/484113489.db2.gz XASDSYFGIJMTMH-UHFFFAOYSA-N 0 3 360.466 0.154 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2nccc(C(F)(F)F)n2)n1 ZINC000413514451 484291793 /nfs/dbraw/zinc/29/17/93/484291793.db2.gz LJWWMSSJYISJHT-UHFFFAOYSA-N 0 3 372.355 -0.217 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000413517430 484292467 /nfs/dbraw/zinc/29/24/67/484292467.db2.gz RTPNCQVBMVNBCR-HNNXBMFYSA-N 0 3 369.510 -0.241 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000413517433 484292319 /nfs/dbraw/zinc/29/23/19/484292319.db2.gz RTPNCQVBMVNBCR-OAHLLOKOSA-N 0 3 369.510 -0.241 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC(CO)(c3ccccc3)C2)n1 ZINC000413547076 484294154 /nfs/dbraw/zinc/29/41/54/484294154.db2.gz GFEHYCSGAGUIJO-UHFFFAOYSA-N 0 3 358.446 -0.310 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](CO)c2ccc(F)cc2)n1 ZINC000413548844 484293975 /nfs/dbraw/zinc/29/39/75/484293975.db2.gz RPUWOCSGTWSXJZ-CYBMUJFWSA-N 0 3 364.425 -0.311 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](CO)c2ccc(F)cc2)n1 ZINC000413548846 484294460 /nfs/dbraw/zinc/29/44/60/484294460.db2.gz RPUWOCSGTWSXJZ-ZDUSSCGKSA-N 0 3 364.425 -0.311 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2nnc(C3CC3)s2)n1 ZINC000413586909 484296035 /nfs/dbraw/zinc/29/60/35/484296035.db2.gz ULNVWSGPAOQOKS-UHFFFAOYSA-N 0 3 350.452 -0.297 20 0 FBADHN COC(=O)[C@@]1(C)CCCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000413596426 484295994 /nfs/dbraw/zinc/29/59/94/484295994.db2.gz UJBWTURCTHAGEC-INIZCTEOSA-N 0 3 352.439 -0.281 20 0 FBADHN COC(=O)[C@]1(C)CCCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000413596427 484295419 /nfs/dbraw/zinc/29/54/19/484295419.db2.gz UJBWTURCTHAGEC-MRXNPFEDSA-N 0 3 352.439 -0.281 20 0 FBADHN COC(=O)[C@H]1CSCCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000413616360 484295983 /nfs/dbraw/zinc/29/59/83/484295983.db2.gz YKSIZEHJCMAVJL-LLVKDONJSA-N 0 3 370.479 -0.718 20 0 FBADHN COC(=O)[C@@H]1CSCCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000413616365 484295881 /nfs/dbraw/zinc/29/58/81/484295881.db2.gz YKSIZEHJCMAVJL-NSHDSACASA-N 0 3 370.479 -0.718 20 0 FBADHN COCCOC1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000413626055 484296003 /nfs/dbraw/zinc/29/60/03/484296003.db2.gz LJYFKLJTKQNQEG-UHFFFAOYSA-N 0 3 370.494 -0.160 20 0 FBADHN CN1CCC(CNC(=O)N[C@@H](C(N)=O)C(C)(C)C)(N2CCOCC2)CC1 ZINC000413626961 484295804 /nfs/dbraw/zinc/29/58/04/484295804.db2.gz NBPKNAQAATXZMS-AWEZNQCLSA-N 0 3 369.510 -0.018 20 0 FBADHN CN1CCC(CNC(=O)N[C@H](C(N)=O)C(C)(C)C)(N2CCOCC2)CC1 ZINC000413626962 484295459 /nfs/dbraw/zinc/29/54/59/484295459.db2.gz NBPKNAQAATXZMS-CQSZACIVSA-N 0 3 369.510 -0.018 20 0 FBADHN CN1CCC(CNC(=O)NCC(F)(F)CO)(N2CCOCC2)CC1 ZINC000413628565 484295677 /nfs/dbraw/zinc/29/56/77/484295677.db2.gz QRMNROKXCPMEJU-UHFFFAOYSA-N 0 3 350.410 -0.290 20 0 FBADHN C[C@H]1C(=O)N(C)CCN1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413630622 484296099 /nfs/dbraw/zinc/29/60/99/484296099.db2.gz VLEGPOWLPBNBJY-HNNXBMFYSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@@H]1C(=O)N(C)CCN1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413630623 484296320 /nfs/dbraw/zinc/29/63/20/484296320.db2.gz VLEGPOWLPBNBJY-OAHLLOKOSA-N 0 3 367.494 -0.345 20 0 FBADHN CCC[C@H](O)[C@@H](CO)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413631613 484297283 /nfs/dbraw/zinc/29/72/83/484297283.db2.gz XVRVKWYTCLLZGE-CVEARBPZSA-N 0 3 372.510 -0.396 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413631614 484297381 /nfs/dbraw/zinc/29/73/81/484297381.db2.gz XVRVKWYTCLLZGE-HOTGVXAUSA-N 0 3 372.510 -0.396 20 0 FBADHN CCC[C@@H](O)[C@@H](CO)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413631615 484297734 /nfs/dbraw/zinc/29/77/34/484297734.db2.gz XVRVKWYTCLLZGE-HZPDHXFCSA-N 0 3 372.510 -0.396 20 0 FBADHN CCC[C@@H](O)[C@H](CO)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413631616 484297896 /nfs/dbraw/zinc/29/78/96/484297896.db2.gz XVRVKWYTCLLZGE-JKSUJKDBSA-N 0 3 372.510 -0.396 20 0 FBADHN COC(=O)[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000413790994 484300922 /nfs/dbraw/zinc/30/09/22/484300922.db2.gz DUPPEMLKPPSXRY-OKILXGFUSA-N 0 3 352.435 -0.112 20 0 FBADHN O=C(CCNS(=O)(=O)c1cccnc1)N[C@H](CO)CN1CCCCC1 ZINC000413801005 484299328 /nfs/dbraw/zinc/29/93/28/484299328.db2.gz DEJVUEDUFNMBMP-AWEZNQCLSA-N 0 3 370.475 -0.287 20 0 FBADHN O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H](CO)CN1CCCCC1 ZINC000413801155 484298553 /nfs/dbraw/zinc/29/85/53/484298553.db2.gz DEJVUEDUFNMBMP-CQSZACIVSA-N 0 3 370.475 -0.287 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N[C@H](CO)CN1CCCCC1)n1cccn1 ZINC000413810357 484299873 /nfs/dbraw/zinc/29/98/73/484299873.db2.gz WGAYHYPSXINKBL-CABCVRRESA-N 0 3 351.451 -0.135 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N[C@H](CO)CN1CCCCC1)n1cccn1 ZINC000413810360 484300576 /nfs/dbraw/zinc/30/05/76/484300576.db2.gz WGAYHYPSXINKBL-GJZGRUSLSA-N 0 3 351.451 -0.135 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N[C@@H](CO)CN1CCCCC1)n1cccn1 ZINC000413810362 484300216 /nfs/dbraw/zinc/30/02/16/484300216.db2.gz WGAYHYPSXINKBL-HUUCEWRRSA-N 0 3 351.451 -0.135 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N[C@@H](CO)CN1CCCCC1)n1cccn1 ZINC000413810366 484300343 /nfs/dbraw/zinc/30/03/43/484300343.db2.gz WGAYHYPSXINKBL-LSDHHAIUSA-N 0 3 351.451 -0.135 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413818818 484300951 /nfs/dbraw/zinc/30/09/51/484300951.db2.gz OCOCSLNUQIDYTH-CHWSQXEVSA-N 0 3 373.479 -0.950 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413818819 484300937 /nfs/dbraw/zinc/30/09/37/484300937.db2.gz OCOCSLNUQIDYTH-OLZOCXBDSA-N 0 3 373.479 -0.950 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413818820 484300963 /nfs/dbraw/zinc/30/09/63/484300963.db2.gz OCOCSLNUQIDYTH-QWHCGFSZSA-N 0 3 373.479 -0.950 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413818821 484300837 /nfs/dbraw/zinc/30/08/37/484300837.db2.gz OCOCSLNUQIDYTH-STQMWFEESA-N 0 3 373.479 -0.950 20 0 FBADHN CCS(=O)(=O)CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000413833125 484301230 /nfs/dbraw/zinc/30/12/30/484301230.db2.gz NPCKVIMFGIBGBF-UHFFFAOYSA-N 0 3 374.507 -0.239 20 0 FBADHN COCC(COC)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000413875102 484303282 /nfs/dbraw/zinc/30/32/82/484303282.db2.gz IZOPMHARPRSEJI-HNNXBMFYSA-N 0 3 370.494 -0.798 20 0 FBADHN COCC(COC)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000413875103 484303041 /nfs/dbraw/zinc/30/30/41/484303041.db2.gz IZOPMHARPRSEJI-OAHLLOKOSA-N 0 3 370.494 -0.798 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)CC1=O ZINC000413890780 484302542 /nfs/dbraw/zinc/30/25/42/484302542.db2.gz BOVRKEWVAIDMJH-CABCVRRESA-N 0 3 371.503 -0.178 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)CC1=O ZINC000413890781 484302556 /nfs/dbraw/zinc/30/25/56/484302556.db2.gz BOVRKEWVAIDMJH-GJZGRUSLSA-N 0 3 371.503 -0.178 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)CC1=O ZINC000413890782 484301964 /nfs/dbraw/zinc/30/19/64/484301964.db2.gz BOVRKEWVAIDMJH-HUUCEWRRSA-N 0 3 371.503 -0.178 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)CC1=O ZINC000413890783 484301885 /nfs/dbraw/zinc/30/18/85/484301885.db2.gz BOVRKEWVAIDMJH-LSDHHAIUSA-N 0 3 371.503 -0.178 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](O)C[C@H]2COC)CC1=O ZINC000413908566 484303658 /nfs/dbraw/zinc/30/36/58/484303658.db2.gz RCPPFUKOZSODIC-FZKCQIBNSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H](O)C[C@H]2COC)CC1=O ZINC000413908567 484304825 /nfs/dbraw/zinc/30/48/25/484304825.db2.gz RCPPFUKOZSODIC-UGUYLWEFSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H](O)C[C@H]2COC)CC1=O ZINC000413908568 484304482 /nfs/dbraw/zinc/30/44/82/484304482.db2.gz RCPPFUKOZSODIC-VGWMRTNUSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](O)C[C@H]2COC)CC1=O ZINC000413908569 484304462 /nfs/dbraw/zinc/30/44/62/484304462.db2.gz RCPPFUKOZSODIC-WCVJEAGWSA-N 0 3 353.463 -0.073 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)CN(C)c2ncnc3[nH]cnc32)C1 ZINC000413920625 484306851 /nfs/dbraw/zinc/30/68/51/484306851.db2.gz NMUXJBBOVHDPJP-LLVKDONJSA-N 0 3 361.406 -0.648 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)CN(C)c2ncnc3[nH]cnc32)C1 ZINC000413920626 484306810 /nfs/dbraw/zinc/30/68/10/484306810.db2.gz NMUXJBBOVHDPJP-NSHDSACASA-N 0 3 361.406 -0.648 20 0 FBADHN CNS(=O)(=O)NCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413979373 484309181 /nfs/dbraw/zinc/30/91/81/484309181.db2.gz OUUCCIDMGIRDNA-UHFFFAOYSA-N 0 3 370.475 -0.817 20 0 FBADHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](CO)NC(N)=O ZINC000414001349 484309252 /nfs/dbraw/zinc/30/92/52/484309252.db2.gz YTESBFCZJUVHJM-BZUAXINKSA-N 0 3 364.446 -0.331 20 0 FBADHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)[C@H](CO)NC(N)=O ZINC000414001351 484307978 /nfs/dbraw/zinc/30/79/78/484307978.db2.gz YTESBFCZJUVHJM-OWCLPIDISA-N 0 3 364.446 -0.331 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCC2(CS(C)(=O)=O)CCC2)CC1=O ZINC000414005854 484309006 /nfs/dbraw/zinc/30/90/06/484309006.db2.gz BPJQLVUEZIRCHN-CYBMUJFWSA-N 0 3 359.492 -0.272 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCC2(CS(C)(=O)=O)CCC2)CC1=O ZINC000414005855 484308332 /nfs/dbraw/zinc/30/83/32/484308332.db2.gz BPJQLVUEZIRCHN-ZDUSSCGKSA-N 0 3 359.492 -0.272 20 0 FBADHN COC(=O)[C@H]1CSCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000414033973 484309272 /nfs/dbraw/zinc/30/92/72/484309272.db2.gz FFAIIZCNKMGIAS-CHWSQXEVSA-N 0 3 357.476 -0.239 20 0 FBADHN COC(=O)[C@@H]1CSCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000414033985 484308203 /nfs/dbraw/zinc/30/82/03/484308203.db2.gz FFAIIZCNKMGIAS-OLZOCXBDSA-N 0 3 357.476 -0.239 20 0 FBADHN COC(=O)[C@H]1CSCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000414033986 484309105 /nfs/dbraw/zinc/30/91/05/484309105.db2.gz FFAIIZCNKMGIAS-QWHCGFSZSA-N 0 3 357.476 -0.239 20 0 FBADHN COC(=O)[C@@H]1CSCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000414033987 484308480 /nfs/dbraw/zinc/30/84/80/484308480.db2.gz FFAIIZCNKMGIAS-STQMWFEESA-N 0 3 357.476 -0.239 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N(C)C(C)(C)CN2CCOCC2)CC1=O ZINC000414055435 484308072 /nfs/dbraw/zinc/30/80/72/484308072.db2.gz XHWABHQWAWVXSQ-HNNXBMFYSA-N 0 3 354.495 -0.034 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N(C)C(C)(C)CN2CCOCC2)CC1=O ZINC000414055436 484308162 /nfs/dbraw/zinc/30/81/62/484308162.db2.gz XHWABHQWAWVXSQ-OAHLLOKOSA-N 0 3 354.495 -0.034 20 0 FBADHN COc1ccc(N2CCN([C@H]3CC(=O)N(CCN(C)C)C3=O)CC2)nc1 ZINC000414108696 484310640 /nfs/dbraw/zinc/31/06/40/484310640.db2.gz MIJVEWIAORYIFE-HNNXBMFYSA-N 0 3 361.446 -0.099 20 0 FBADHN COc1ccc(N2CCN([C@@H]3CC(=O)N(CCN(C)C)C3=O)CC2)nc1 ZINC000414108699 484310929 /nfs/dbraw/zinc/31/09/29/484310929.db2.gz MIJVEWIAORYIFE-OAHLLOKOSA-N 0 3 361.446 -0.099 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000414495975 483443032 /nfs/dbraw/zinc/44/30/32/483443032.db2.gz YERWDSXODOULLG-INIZCTEOSA-N 0 3 362.478 -0.235 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000414495978 483443172 /nfs/dbraw/zinc/44/31/72/483443172.db2.gz YERWDSXODOULLG-MRXNPFEDSA-N 0 3 362.478 -0.235 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@](C)(C(=O)OC)C1 ZINC000414573074 483553075 /nfs/dbraw/zinc/55/30/75/483553075.db2.gz CYOXESHCRXZWMD-KRWDZBQOSA-N 0 3 357.451 -0.175 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@](C)(C(=O)OC)C1 ZINC000414573092 483552938 /nfs/dbraw/zinc/55/29/38/483552938.db2.gz CYOXESHCRXZWMD-QGZVFWFLSA-N 0 3 357.451 -0.175 20 0 FBADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCO1 ZINC000414585268 483568103 /nfs/dbraw/zinc/56/81/03/483568103.db2.gz USBRYLINAMKWNU-KKUMJFAQSA-N 0 3 357.451 -0.836 20 0 FBADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCO1 ZINC000414585269 483567424 /nfs/dbraw/zinc/56/74/24/483567424.db2.gz USBRYLINAMKWNU-RRFJBIMHSA-N 0 3 357.451 -0.836 20 0 FBADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCO1 ZINC000414585271 483567146 /nfs/dbraw/zinc/56/71/46/483567146.db2.gz USBRYLINAMKWNU-SOUVJXGZSA-N 0 3 357.451 -0.836 20 0 FBADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCO1 ZINC000414585272 483567727 /nfs/dbraw/zinc/56/77/27/483567727.db2.gz USBRYLINAMKWNU-ZNMIVQPWSA-N 0 3 357.451 -0.836 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000414588560 483570288 /nfs/dbraw/zinc/57/02/88/483570288.db2.gz ZQBFBQDWQPVZDZ-CABCVRRESA-N 0 3 359.467 -0.589 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000414588561 483570000 /nfs/dbraw/zinc/57/00/00/483570000.db2.gz ZQBFBQDWQPVZDZ-GJZGRUSLSA-N 0 3 359.467 -0.589 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/nfs/dbraw/zinc/57/58/61/483575861.db2.gz ZDNVRSLLCSFYAI-ZFWWWQNUSA-N 0 3 353.419 -0.222 20 0 FBADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000414597831 483579591 /nfs/dbraw/zinc/57/95/91/483579591.db2.gz JVVJSRHCMWFASH-CYBMUJFWSA-N 0 3 357.476 -0.095 20 0 FBADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000414597832 483579715 /nfs/dbraw/zinc/57/97/15/483579715.db2.gz JVVJSRHCMWFASH-ZDUSSCGKSA-N 0 3 357.476 -0.095 20 0 FBADHN COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000414598274 483580990 /nfs/dbraw/zinc/58/09/90/483580990.db2.gz KVRMVRCIGFKRPD-HNNXBMFYSA-N 0 3 370.494 -0.655 20 0 FBADHN COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000414598275 483580212 /nfs/dbraw/zinc/58/02/12/483580212.db2.gz KVRMVRCIGFKRPD-OAHLLOKOSA-N 0 3 370.494 -0.655 20 0 FBADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000414599636 483583243 /nfs/dbraw/zinc/58/32/43/483583243.db2.gz NBOKBEHGJRSCTK-CHWSQXEVSA-N 0 3 357.476 -0.096 20 0 FBADHN 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CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CNC)CC1 ZINC000414724470 483677185 /nfs/dbraw/zinc/67/71/85/483677185.db2.gz SEPSALKSMJZUBZ-UHFFFAOYSA-N 0 3 361.446 -0.375 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000414724630 483677212 /nfs/dbraw/zinc/67/72/12/483677212.db2.gz KHFZMNHKGCFSNQ-UHFFFAOYSA-N 0 3 373.457 -0.233 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000414726289 483677133 /nfs/dbraw/zinc/67/71/33/483677133.db2.gz YLVYRKAJMQUBKM-UHFFFAOYSA-N 0 3 373.457 -0.449 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CNC)CC1 ZINC000414770276 483678952 /nfs/dbraw/zinc/67/89/52/483678952.db2.gz LQQIUOZSRYSXEE-UHFFFAOYSA-N 0 3 368.459 -0.162 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)CC1 ZINC000414776236 483679893 /nfs/dbraw/zinc/67/98/93/483679893.db2.gz MZXBGOUKPZWQQQ-UHFFFAOYSA-N 0 3 368.459 -0.162 20 0 FBADHN CNc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000414795536 484221998 /nfs/dbraw/zinc/22/19/98/484221998.db2.gz 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ZINC000414950928 483820251 /nfs/dbraw/zinc/82/02/51/483820251.db2.gz PFIZPBKNILXIHU-UHFFFAOYSA-N 0 3 370.413 -0.047 20 0 FBADHN CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1=O ZINC000414970686 483824251 /nfs/dbraw/zinc/82/42/51/483824251.db2.gz HSFXIHNCTFTFDH-CYBMUJFWSA-N 0 3 374.397 -0.241 20 0 FBADHN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1=O ZINC000414970696 483824162 /nfs/dbraw/zinc/82/41/62/483824162.db2.gz HSFXIHNCTFTFDH-ZDUSSCGKSA-N 0 3 374.397 -0.241 20 0 FBADHN CNc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000414974362 484221252 /nfs/dbraw/zinc/22/12/52/484221252.db2.gz JYTZFUAUOJVUCR-AWEZNQCLSA-N 0 3 374.445 -0.173 20 0 FBADHN CNc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000414974363 484222273 /nfs/dbraw/zinc/22/22/73/484222273.db2.gz JYTZFUAUOJVUCR-CQSZACIVSA-N 0 3 374.445 -0.173 20 0 FBADHN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1=O ZINC000414988738 483827424 /nfs/dbraw/zinc/82/74/24/483827424.db2.gz 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ZINC000415948541 483885640 /nfs/dbraw/zinc/88/56/40/483885640.db2.gz CYWPHQIKGGULJA-KGLIPLIRSA-N 0 3 363.466 -0.195 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)[C@@H](C)C1 ZINC000415948542 483885863 /nfs/dbraw/zinc/88/58/63/483885863.db2.gz CYWPHQIKGGULJA-UONOGXRCSA-N 0 3 363.466 -0.195 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)[C@H](C)C1 ZINC000415948543 483885881 /nfs/dbraw/zinc/88/58/81/483885881.db2.gz CYWPHQIKGGULJA-ZIAGYGMSSA-N 0 3 363.466 -0.195 20 0 FBADHN O=C(NC[C@H]1CN(C2CC2)CCO1)Nc1cnc(N2CCNCC2)nc1 ZINC000415950668 483886120 /nfs/dbraw/zinc/88/61/20/483886120.db2.gz IDDKFOMDXMFGTG-HNNXBMFYSA-N 0 3 361.450 -0.129 20 0 FBADHN O=C(NC[C@@H]1CN(C2CC2)CCO1)Nc1cnc(N2CCNCC2)nc1 ZINC000415950669 483886066 /nfs/dbraw/zinc/88/60/66/483886066.db2.gz IDDKFOMDXMFGTG-OAHLLOKOSA-N 0 3 361.450 -0.129 20 0 FBADHN C[C@@H]1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)C[C@H](C)N1CCO ZINC000415953895 483886269 /nfs/dbraw/zinc/88/62/69/483886269.db2.gz NEPRWCQWSKPCQO-OKILXGFUSA-N 0 3 363.466 -0.195 20 0 FBADHN CCOC1CC(O)(CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000415955984 483886199 /nfs/dbraw/zinc/88/61/99/483886199.db2.gz RAWGWLQRXUUCCR-UHFFFAOYSA-N 0 3 350.423 -0.062 20 0 FBADHN COC(=O)CN1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000415956508 483886181 /nfs/dbraw/zinc/88/61/81/483886181.db2.gz RUUMNRLEEPAGTM-UHFFFAOYSA-N 0 3 363.422 -0.791 20 0 FBADHN COCCN1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1=O ZINC000415956516 483886230 /nfs/dbraw/zinc/88/62/30/483886230.db2.gz RWOYOWMYNZRISG-UHFFFAOYSA-N 0 3 363.422 -0.791 20 0 FBADHN CC(C)N1C(=O)C[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1=O ZINC000415957339 483885754 /nfs/dbraw/zinc/88/57/54/483885754.db2.gz UBPVWZNPESUJJK-GFCCVEGCSA-N 0 3 361.406 -0.456 20 0 FBADHN CC(C)N1C(=O)C[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1=O ZINC000415957340 483885635 /nfs/dbraw/zinc/88/56/35/483885635.db2.gz UBPVWZNPESUJJK-LBPRGKRZSA-N 0 3 361.406 -0.456 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000415957357 483885909 /nfs/dbraw/zinc/88/59/09/483885909.db2.gz UFJOFVFIJSWRCH-UHFFFAOYSA-N 0 3 363.466 -0.193 20 0 FBADHN C[C@@H](CNC(=O)Nc1cnc(N2CCNCC2)nc1)CN1CCOCC1 ZINC000415957711 483885799 /nfs/dbraw/zinc/88/57/99/483885799.db2.gz UVQSQEFCWHZYPP-AWEZNQCLSA-N 0 3 363.466 -0.024 20 0 FBADHN C[C@H](CNC(=O)Nc1cnc(N2CCNCC2)nc1)CN1CCOCC1 ZINC000415957712 483885570 /nfs/dbraw/zinc/88/55/70/483885570.db2.gz UVQSQEFCWHZYPP-CQSZACIVSA-N 0 3 363.466 -0.024 20 0 FBADHN CC[C@@H](CO)N1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000415958120 483885841 /nfs/dbraw/zinc/88/58/41/483885841.db2.gz WCPKGWSRKQMBHG-HNNXBMFYSA-N 0 3 363.466 -0.193 20 0 FBADHN CC[C@H](CO)N1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 ZINC000415958122 483885767 /nfs/dbraw/zinc/88/57/67/483885767.db2.gz WCPKGWSRKQMBHG-OAHLLOKOSA-N 0 3 363.466 -0.193 20 0 FBADHN COC[C@](C)(CC(=O)OC)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958180 483885885 /nfs/dbraw/zinc/88/58/85/483885885.db2.gz WHKCPRYAGZJJBG-INIZCTEOSA-N 0 3 366.422 -0.024 20 0 FBADHN COC[C@@](C)(CC(=O)OC)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958181 483885516 /nfs/dbraw/zinc/88/55/16/483885516.db2.gz WHKCPRYAGZJJBG-MRXNPFEDSA-N 0 3 366.422 -0.024 20 0 FBADHN O=C(NCC1(N2CCOCC2)CC1)Nc1cnc(N2CCNCC2)nc1 ZINC000415959038 483885506 /nfs/dbraw/zinc/88/55/06/483885506.db2.gz YDXGZSRGNDEPLT-UHFFFAOYSA-N 0 3 361.450 -0.128 20 0 FBADHN O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)Nc1cnc(N2CCNCC2)nc1 ZINC000415959472 483885584 /nfs/dbraw/zinc/88/55/84/483885584.db2.gz ZHRIZFPQFHCTCH-GASCZTMLSA-N 0 3 361.450 -0.129 20 0 FBADHN O=C(CCN1CCc2ccccc2C1)NCC(=O)NCCN1CCOCC1 ZINC000416155612 483886677 /nfs/dbraw/zinc/88/66/77/483886677.db2.gz DPPMVKBLJLAOCQ-UHFFFAOYSA-N 0 3 374.485 -0.001 20 0 FBADHN CN(C)S(=O)(=O)NCCNC(=O)CCN1CCc2ccccc2C1 ZINC000416242510 483886646 /nfs/dbraw/zinc/88/66/46/483886646.db2.gz NJYDRXSFZULWIF-UHFFFAOYSA-N 0 3 354.476 -0.053 20 0 FBADHN CN(C)C1(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000416305102 484084555 /nfs/dbraw/zinc/08/45/55/484084555.db2.gz AJTGEPJHVLHBGR-UHFFFAOYSA-N 0 3 374.445 0.201 20 0 FBADHN CN(C)C1(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000416305229 483887267 /nfs/dbraw/zinc/88/72/67/483887267.db2.gz WVDLLIIMDGNBPZ-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(C)C1(CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000416305243 483887037 /nfs/dbraw/zinc/88/70/37/483887037.db2.gz WVDLLIIMDGNBPZ-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC1(N(C)C)CC1 ZINC000416306285 483887086 /nfs/dbraw/zinc/88/70/86/483887086.db2.gz ZYZBIPXZHJUCER-LLVKDONJSA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1(N(C)C)CC1 ZINC000416306286 483887059 /nfs/dbraw/zinc/88/70/59/483887059.db2.gz ZYZBIPXZHJUCER-NSHDSACASA-N 0 3 357.480 -0.086 20 0 FBADHN CN(C)C1(CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000416306879 483887184 /nfs/dbraw/zinc/88/71/84/483887184.db2.gz ICYYUQABTXGWRS-HNNXBMFYSA-N 0 3 352.435 -0.188 20 0 FBADHN CN(C)C1(CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000416306880 483887135 /nfs/dbraw/zinc/88/71/35/483887135.db2.gz ICYYUQABTXGWRS-OAHLLOKOSA-N 0 3 352.435 -0.188 20 0 FBADHN CNS(=O)(=O)NCC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416335775 483887285 /nfs/dbraw/zinc/88/72/85/483887285.db2.gz WNAYUERIZNSLSS-UHFFFAOYSA-N 0 3 360.436 -0.372 20 0 FBADHN CN(C)CC(C)(C)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000416506130 483888801 /nfs/dbraw/zinc/88/88/01/483888801.db2.gz FHIHWKHXUBLVKH-UHFFFAOYSA-N 0 3 355.420 -0.347 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(CC(N)=O)C(=O)C2)cc1 ZINC000416544215 483889259 /nfs/dbraw/zinc/88/92/59/483889259.db2.gz HTFMWPDJORMTAI-UHFFFAOYSA-N 0 3 354.432 -0.934 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416562416 483889686 /nfs/dbraw/zinc/88/96/86/483889686.db2.gz WJQRAGIQIISLMI-CYBMUJFWSA-N 0 3 355.526 -0.081 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000416562421 483889490 /nfs/dbraw/zinc/88/94/90/483889490.db2.gz WJQRAGIQIISLMI-ZDUSSCGKSA-N 0 3 355.526 -0.081 20 0 FBADHN COC[C@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416585568 483890223 /nfs/dbraw/zinc/89/02/23/483890223.db2.gz OCYXCESBTCIKLF-HNNXBMFYSA-N 0 3 363.524 -0.015 20 0 FBADHN COC[C@@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416585573 483890152 /nfs/dbraw/zinc/89/01/52/483890152.db2.gz OCYXCESBTCIKLF-OAHLLOKOSA-N 0 3 363.524 -0.015 20 0 FBADHN Cc1onc(N)c1S(=O)(=O)[N-]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000416597462 484540179 /nfs/dbraw/zinc/54/01/79/484540179.db2.gz ZWUYEGCKMBAWCS-UHFFFAOYSA-N 0 3 373.479 -0.360 20 0 FBADHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000416665281 483891009 /nfs/dbraw/zinc/89/10/09/483891009.db2.gz USEPRFWFPGVIRR-UHFFFAOYSA-N 0 3 358.464 -0.421 20 0 FBADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000416855491 484276720 /nfs/dbraw/zinc/27/67/20/484276720.db2.gz CBWAEZXBDGCLNS-CYBMUJFWSA-N 0 3 352.439 0.013 20 0 FBADHN COC(=O)[C@H]1CN(C)CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000416855496 484280279 /nfs/dbraw/zinc/28/02/79/484280279.db2.gz CBWAEZXBDGCLNS-ZDUSSCGKSA-N 0 3 352.439 0.013 20 0 FBADHN COCCNCCNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000416866501 483891466 /nfs/dbraw/zinc/89/14/66/483891466.db2.gz GJXNFHHWQMRPAP-UHFFFAOYSA-N 0 3 355.439 -0.224 20 0 FBADHN COCCNCCNC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000416930993 483891720 /nfs/dbraw/zinc/89/17/20/483891720.db2.gz KLXGYIKKRQYROB-UHFFFAOYSA-N 0 3 358.464 -0.028 20 0 FBADHN COCCNCCNC(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000416948376 483891951 /nfs/dbraw/zinc/89/19/51/483891951.db2.gz KCDLIYWVERTUNO-UHFFFAOYSA-N 0 3 358.464 -0.191 20 0 FBADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NC[C@H]1CNCCO1 ZINC000416958578 483891819 /nfs/dbraw/zinc/89/18/19/483891819.db2.gz UCVRUFTUOLWXAY-CYBMUJFWSA-N 0 3 367.450 -0.081 20 0 FBADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H]1CNCCO1 ZINC000416958582 483892097 /nfs/dbraw/zinc/89/20/97/483892097.db2.gz UCVRUFTUOLWXAY-ZDUSSCGKSA-N 0 3 367.450 -0.081 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000416961886 483892113 /nfs/dbraw/zinc/89/21/13/483892113.db2.gz XVYCOKJIGVMGGS-CYBMUJFWSA-N 0 3 356.448 -0.439 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000416962246 483891914 /nfs/dbraw/zinc/89/19/14/483891914.db2.gz XVYCOKJIGVMGGS-ZDUSSCGKSA-N 0 3 356.448 -0.439 20 0 FBADHN COc1nccc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)n1 ZINC000417015640 484462920 /nfs/dbraw/zinc/46/29/20/484462920.db2.gz CCLHXCFLZBHHIR-UHFFFAOYSA-N 0 3 364.450 0.403 20 0 FBADHN COc1ccc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)nn1 ZINC000417034806 484435647 /nfs/dbraw/zinc/43/56/47/484435647.db2.gz JPOFKKKGUDTSCB-UHFFFAOYSA-N 0 3 364.450 0.403 20 0 FBADHN COc1nnc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000417035568 484464734 /nfs/dbraw/zinc/46/47/34/484464734.db2.gz HCJHKYHWJWZMIC-UHFFFAOYSA-N 0 3 370.479 0.465 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000417097198 483892476 /nfs/dbraw/zinc/89/24/76/483892476.db2.gz XATVZBLUKMYWMC-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000417097206 483892635 /nfs/dbraw/zinc/89/26/35/483892635.db2.gz XATVZBLUKMYWMC-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN O=C(NCCS(=O)(=O)NCc1ccccc1)NC[C@@H]1CNCCO1 ZINC000417099492 483892483 /nfs/dbraw/zinc/89/24/83/483892483.db2.gz CYFSATPOHNQYMP-AWEZNQCLSA-N 0 3 356.448 -0.606 20 0 FBADHN O=C(NCCS(=O)(=O)NCc1ccccc1)NC[C@H]1CNCCO1 ZINC000417099493 483892577 /nfs/dbraw/zinc/89/25/77/483892577.db2.gz CYFSATPOHNQYMP-CQSZACIVSA-N 0 3 356.448 -0.606 20 0 FBADHN COCCNCCNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000417119846 483892525 /nfs/dbraw/zinc/89/25/25/483892525.db2.gz XXXUCCYJFCTWPW-UHFFFAOYSA-N 0 3 358.464 -0.028 20 0 FBADHN COCCNCCNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000417392844 483956887 /nfs/dbraw/zinc/95/68/87/483956887.db2.gz NOJGWBGFPKBTBP-UHFFFAOYSA-N 0 3 363.462 -0.130 20 0 FBADHN COCCN(C)CCNC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000417445819 484008181 /nfs/dbraw/zinc/00/81/81/484008181.db2.gz ILKNEDKHUPTFRP-HNNXBMFYSA-N 0 3 355.483 -0.582 20 0 FBADHN COCCN(C)CCNC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000417445820 484008547 /nfs/dbraw/zinc/00/85/47/484008547.db2.gz ILKNEDKHUPTFRP-OAHLLOKOSA-N 0 3 355.483 -0.582 20 0 FBADHN COc1cc(NC(=O)NC(CO)(CO)CO)ccc1OCCN(C)C ZINC000417689027 484060661 /nfs/dbraw/zinc/06/06/61/484060661.db2.gz SMOWCPRBHNYQLQ-UHFFFAOYSA-N 0 3 357.407 -0.527 20 0 FBADHN COCCNCCNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000417696687 484062715 /nfs/dbraw/zinc/06/27/15/484062715.db2.gz BZTIJWVEDMBWFF-UHFFFAOYSA-N 0 3 355.483 -0.534 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000417742446 484073633 /nfs/dbraw/zinc/07/36/33/484073633.db2.gz BCKWCUTXWMRJBM-INIZCTEOSA-N 0 3 369.510 -0.192 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000417742448 484073939 /nfs/dbraw/zinc/07/39/39/484073939.db2.gz BCKWCUTXWMRJBM-MRXNPFEDSA-N 0 3 369.510 -0.192 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCCCOC)CC1 ZINC000417746810 484074615 /nfs/dbraw/zinc/07/46/15/484074615.db2.gz QDKNTUINLBRGFP-UHFFFAOYSA-N 0 3 370.494 -0.116 20 0 FBADHN COCCCCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000417749927 484076010 /nfs/dbraw/zinc/07/60/10/484076010.db2.gz WHRKFONFYSSUEJ-UHFFFAOYSA-N 0 3 368.478 -0.362 20 0 FBADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000417752596 484076781 /nfs/dbraw/zinc/07/67/81/484076781.db2.gz IJKHNFFBPFKYSK-GDBMZVCRSA-N 0 3 362.430 -0.046 20 0 FBADHN O=C(NC[C@H]1CNCCO1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000417752597 484077266 /nfs/dbraw/zinc/07/72/66/484077266.db2.gz IJKHNFFBPFKYSK-GOEBONIOSA-N 0 3 362.430 -0.046 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000417752598 484076161 /nfs/dbraw/zinc/07/61/61/484076161.db2.gz IJKHNFFBPFKYSK-HOCLYGCPSA-N 0 3 362.430 -0.046 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000417752599 484077742 /nfs/dbraw/zinc/07/77/42/484077742.db2.gz IJKHNFFBPFKYSK-ZBFHGGJFSA-N 0 3 362.430 -0.046 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000417753283 484077328 /nfs/dbraw/zinc/07/73/28/484077328.db2.gz OBFGLSCJJSIUQW-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000417753284 484077682 /nfs/dbraw/zinc/07/76/82/484077682.db2.gz OBFGLSCJJSIUQW-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN CN1CCNC[C@@H]1CNC(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000417901966 484152393 /nfs/dbraw/zinc/15/23/93/484152393.db2.gz OSPYDZRRSIKTCH-CYBMUJFWSA-N 0 3 358.439 -0.198 20 0 FBADHN CN1CCNC[C@H]1CNC(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000417901968 484153090 /nfs/dbraw/zinc/15/30/90/484153090.db2.gz OSPYDZRRSIKTCH-ZDUSSCGKSA-N 0 3 358.439 -0.198 20 0 FBADHN O=C(NCC[N-]S(=O)(=O)c1cccs1)NCCN1CC[NH2+]CC1 ZINC000417908310 484163871 /nfs/dbraw/zinc/16/38/71/484163871.db2.gz COSKITOMGQBBJT-UHFFFAOYSA-N 0 3 361.493 -0.769 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CNCCO2)s1 ZINC000417911136 484166562 /nfs/dbraw/zinc/16/65/62/484166562.db2.gz LEWVVRZTWKFPGG-LLVKDONJSA-N 0 3 362.477 -0.378 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CNCCO2)s1 ZINC000417911137 484165584 /nfs/dbraw/zinc/16/55/84/484165584.db2.gz LEWVVRZTWKFPGG-NSHDSACASA-N 0 3 362.477 -0.378 20 0 FBADHN COCCNCCNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000417912072 484166423 /nfs/dbraw/zinc/16/64/23/484166423.db2.gz NJGPQLQOTCMQOT-UHFFFAOYSA-N 0 3 364.493 -0.096 20 0 FBADHN O=C(NCCNS(=O)(=O)c1cccnc1)N[C@@H]1CNCCC1(F)F ZINC000417913603 484167331 /nfs/dbraw/zinc/16/73/31/484167331.db2.gz QURLUHVGISEURT-LLVKDONJSA-N 0 3 363.390 -0.344 20 0 FBADHN O=C(NCCNS(=O)(=O)c1cccnc1)N[C@H]1CNCCC1(F)F ZINC000417913612 484167817 /nfs/dbraw/zinc/16/78/17/484167817.db2.gz QURLUHVGISEURT-NSHDSACASA-N 0 3 363.390 -0.344 20 0 FBADHN CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000417922190 484169010 /nfs/dbraw/zinc/16/90/10/484169010.db2.gz SWRJPABWPFFCKM-LLVKDONJSA-N 0 3 361.493 -0.771 20 0 FBADHN CN1CC[NH2+]C[C@H]1CNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000417922191 484169401 /nfs/dbraw/zinc/16/94/01/484169401.db2.gz 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484512486 /nfs/dbraw/zinc/51/24/86/484512486.db2.gz MFJWJFHVTMZZBS-GXTWGEPZSA-N 0 3 359.496 -0.902 20 0 FBADHN C[C@H]1[C@@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CCCN1C ZINC000418002685 484512642 /nfs/dbraw/zinc/51/26/42/484512642.db2.gz MFJWJFHVTMZZBS-JSGCOSHPSA-N 0 3 359.496 -0.902 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CCCN1C ZINC000418002687 484511633 /nfs/dbraw/zinc/51/16/33/484511633.db2.gz MFJWJFHVTMZZBS-OCCSQVGLSA-N 0 3 359.496 -0.902 20 0 FBADHN C[C@@H]1[C@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CCCN1C ZINC000418002689 484512057 /nfs/dbraw/zinc/51/20/57/484512057.db2.gz MFJWJFHVTMZZBS-TZMCWYRMSA-N 0 3 359.496 -0.902 20 0 FBADHN CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418066619 484548997 /nfs/dbraw/zinc/54/89/97/484548997.db2.gz ALMGMZVRGUSDTA-LSDHHAIUSA-N 0 3 369.491 -0.045 20 0 FBADHN CN(C)CCOCCNC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000418070671 484549236 /nfs/dbraw/zinc/54/92/36/484549236.db2.gz RSSPOQMBWGILSE-HNNXBMFYSA-N 0 3 355.483 -0.582 20 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/nfs/dbraw/zinc/62/51/99/484625199.db2.gz GTGCUPWGUXLPEK-CQSZACIVSA-N 0 3 358.406 -0.773 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418445534 484624976 /nfs/dbraw/zinc/62/49/76/484624976.db2.gz HNXPMMXFCUKYCU-INIZCTEOSA-N 0 3 363.462 -0.224 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418445546 484624118 /nfs/dbraw/zinc/62/41/18/484624118.db2.gz HNXPMMXFCUKYCU-MRXNPFEDSA-N 0 3 363.462 -0.224 20 0 FBADHN N[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000418453131 484624901 /nfs/dbraw/zinc/62/49/01/484624901.db2.gz OUWGZSUXRLLUIE-HNNXBMFYSA-N 0 3 359.430 -0.181 20 0 FBADHN N[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000418453133 484624738 /nfs/dbraw/zinc/62/47/38/484624738.db2.gz OUWGZSUXRLLUIE-OAHLLOKOSA-N 0 3 359.430 -0.181 20 0 FBADHN COCCNCCNC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000418497449 484625132 /nfs/dbraw/zinc/62/51/32/484625132.db2.gz KBVGANNHBGUAAE-CYBMUJFWSA-N 0 3 362.438 -0.420 20 0 FBADHN COCCNCCNC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000418497450 484624947 /nfs/dbraw/zinc/62/49/47/484624947.db2.gz KBVGANNHBGUAAE-ZDUSSCGKSA-N 0 3 362.438 -0.420 20 0 FBADHN COCCNCCNC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418501941 484624581 /nfs/dbraw/zinc/62/45/81/484624581.db2.gz SMTJDRPHYYQVDI-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN COCCNCCNC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418501942 484624317 /nfs/dbraw/zinc/62/43/17/484624317.db2.gz SMTJDRPHYYQVDI-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)NCCNCCOC)CC1 ZINC000418504253 484624521 /nfs/dbraw/zinc/62/45/21/484624521.db2.gz ASVTWBQAPOLUSF-UHFFFAOYSA-N 0 3 357.499 -0.192 20 0 FBADHN COCCNCCNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000418504780 484624880 /nfs/dbraw/zinc/62/48/80/484624880.db2.gz CKTZODYLVGXZIK-HNNXBMFYSA-N 0 3 369.510 -0.003 20 0 FBADHN COCCNCCNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000418504787 484625026 /nfs/dbraw/zinc/62/50/26/484625026.db2.gz CKTZODYLVGXZIK-OAHLLOKOSA-N 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/nfs/dbraw/zinc/63/42/27/484634227.db2.gz IMUPIJSYWJZQEC-GFCCVEGCSA-N 0 3 373.404 -0.540 20 0 FBADHN O=C(N[C@H]1CNCCC1(F)F)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000418746787 484634553 /nfs/dbraw/zinc/63/45/53/484634553.db2.gz IMUPIJSYWJZQEC-LBPRGKRZSA-N 0 3 373.404 -0.540 20 0 FBADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418750704 484633829 /nfs/dbraw/zinc/63/38/29/484633829.db2.gz PCSOPFHFHPVWNG-LLVKDONJSA-N 0 3 359.377 -0.884 20 0 FBADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418750705 484634180 /nfs/dbraw/zinc/63/41/80/484634180.db2.gz PCSOPFHFHPVWNG-NSHDSACASA-N 0 3 359.377 -0.884 20 0 FBADHN O=C(CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1)N1CCCC1 ZINC000418751202 484634417 /nfs/dbraw/zinc/63/44/17/484634417.db2.gz FLPSGMVDMONOHD-CYBMUJFWSA-N 0 3 359.421 -0.067 20 0 FBADHN O=C(CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1)N1CCCC1 ZINC000418751204 484634793 /nfs/dbraw/zinc/63/47/93/484634793.db2.gz FLPSGMVDMONOHD-ZDUSSCGKSA-N 0 3 359.421 -0.067 20 0 FBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418754456 484634431 /nfs/dbraw/zinc/63/44/31/484634431.db2.gz WPMPOKAHPIIVCO-LLVKDONJSA-N 0 3 361.393 -0.638 20 0 FBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418754457 484634102 /nfs/dbraw/zinc/63/41/02/484634102.db2.gz WPMPOKAHPIIVCO-NSHDSACASA-N 0 3 361.393 -0.638 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418760163 484634346 /nfs/dbraw/zinc/63/43/46/484634346.db2.gz IXWJVWGZUIQHFH-CYBMUJFWSA-N 0 3 366.466 -0.623 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418760168 484633661 /nfs/dbraw/zinc/63/36/61/484633661.db2.gz IXWJVWGZUIQHFH-ZDUSSCGKSA-N 0 3 366.466 -0.623 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418763453 484634836 /nfs/dbraw/zinc/63/48/36/484634836.db2.gz NBAGINYGWCADNO-CYBMUJFWSA-N 0 3 366.466 -0.479 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418763454 484634851 /nfs/dbraw/zinc/63/48/51/484634851.db2.gz NBAGINYGWCADNO-ZDUSSCGKSA-N 0 3 366.466 -0.479 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000418763527 484634567 /nfs/dbraw/zinc/63/45/67/484634567.db2.gz JUYSRUJWVMYFRQ-AWEZNQCLSA-N 0 3 368.459 -0.309 20 0 FBADHN O=C(NC[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000418763531 484633957 /nfs/dbraw/zinc/63/39/57/484633957.db2.gz JUYSRUJWVMYFRQ-CQSZACIVSA-N 0 3 368.459 -0.309 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CNCCC1(F)F ZINC000418767699 484633912 /nfs/dbraw/zinc/63/39/12/484633912.db2.gz QJEYFWFRRPIPRH-GUBZILKMSA-N 0 3 350.366 -0.261 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000418767710 484634166 /nfs/dbraw/zinc/63/41/66/484634166.db2.gz QJEYFWFRRPIPRH-KXUCPTDWSA-N 0 3 350.366 -0.261 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000418767711 484634746 /nfs/dbraw/zinc/63/47/46/484634746.db2.gz QJEYFWFRRPIPRH-LPEHRKFASA-N 0 3 350.366 -0.261 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CNCCC1(F)F ZINC000418767712 484634643 /nfs/dbraw/zinc/63/46/43/484634643.db2.gz QJEYFWFRRPIPRH-UTLUCORTSA-N 0 3 350.366 -0.261 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000418771622 484635958 /nfs/dbraw/zinc/63/59/58/484635958.db2.gz YKGGVNFKYHWGNX-UHFFFAOYSA-N 0 3 363.336 -0.020 20 0 FBADHN COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CNCCO1 ZINC000418773774 484636243 /nfs/dbraw/zinc/63/62/43/484636243.db2.gz URCNNBVFCFDNDP-CVEARBPZSA-N 0 3 364.446 -0.352 20 0 FBADHN COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CNCCO1 ZINC000418773775 484636360 /nfs/dbraw/zinc/63/63/60/484636360.db2.gz URCNNBVFCFDNDP-HOTGVXAUSA-N 0 3 364.446 -0.352 20 0 FBADHN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)NC[C@@H]1CNCCO1 ZINC000418774791 484636221 /nfs/dbraw/zinc/63/62/21/484636221.db2.gz VTZYHEPVENCZRG-AAEUAGOBSA-N 0 3 353.375 -0.557 20 0 FBADHN O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)NC[C@H]1CNCCO1 ZINC000418774797 484636342 /nfs/dbraw/zinc/63/63/42/484636342.db2.gz VTZYHEPVENCZRG-DGCLKSJQSA-N 0 3 353.375 -0.557 20 0 FBADHN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)NC[C@H]1CNCCO1 ZINC000418774799 484635482 /nfs/dbraw/zinc/63/54/82/484635482.db2.gz VTZYHEPVENCZRG-WCQYABFASA-N 0 3 353.375 -0.557 20 0 FBADHN O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)NC[C@@H]1CNCCO1 ZINC000418774801 484635659 /nfs/dbraw/zinc/63/56/59/484635659.db2.gz VTZYHEPVENCZRG-YPMHNXCESA-N 0 3 353.375 -0.557 20 0 FBADHN COc1ccccc1CCNC(=O)CNC(=O)NC[C@@H]1CNCCO1 ZINC000418776522 484637956 /nfs/dbraw/zinc/63/79/56/484637956.db2.gz XNQZUEFJCJYWSY-AWEZNQCLSA-N 0 3 350.419 -0.359 20 0 FBADHN COc1ccccc1CCNC(=O)CNC(=O)NC[C@H]1CNCCO1 ZINC000418776528 484637985 /nfs/dbraw/zinc/63/79/85/484637985.db2.gz XNQZUEFJCJYWSY-CQSZACIVSA-N 0 3 350.419 -0.359 20 0 FBADHN COc1ccc(Br)c(CNC(=O)C(=O)N(CCN)CCO)c1 ZINC000418781005 484642251 /nfs/dbraw/zinc/64/22/51/484642251.db2.gz LGACPUYRNGDDGQ-UHFFFAOYSA-N 0 3 374.235 -0.147 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(=O)N1CCCCC1 ZINC000418783828 484641259 /nfs/dbraw/zinc/64/12/59/484641259.db2.gz BPWFKQHNCQNRER-AVGNSLFASA-N 0 3 354.451 -0.267 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(=O)N1CCCCC1 ZINC000418783829 484640290 /nfs/dbraw/zinc/64/02/90/484640290.db2.gz BPWFKQHNCQNRER-RWMBFGLXSA-N 0 3 354.451 -0.267 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(=O)N1CCCCC1 ZINC000418783830 484640924 /nfs/dbraw/zinc/64/09/24/484640924.db2.gz BPWFKQHNCQNRER-XQQFMLRXSA-N 0 3 354.451 -0.267 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(=O)N1CCCCC1 ZINC000418783831 484640751 /nfs/dbraw/zinc/64/07/51/484640751.db2.gz BPWFKQHNCQNRER-YNEHKIRRSA-N 0 3 354.451 -0.267 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000418784611 484640566 /nfs/dbraw/zinc/64/05/66/484640566.db2.gz PRZHCYZQBQHXMB-UHFFFAOYSA-N 0 3 363.336 -0.020 20 0 FBADHN COc1ccc(C(=O)NCCNC(=O)C(=O)N2CCCC[C@H]2CN)cc1 ZINC000418790822 484640726 /nfs/dbraw/zinc/64/07/26/484640726.db2.gz YFNMILXGIQMWDL-AWEZNQCLSA-N 0 3 362.430 -0.119 20 0 FBADHN COc1ccc(C(=O)NCCNC(=O)C(=O)N2CCCC[C@@H]2CN)cc1 ZINC000418790826 484641239 /nfs/dbraw/zinc/64/12/39/484641239.db2.gz YFNMILXGIQMWDL-CQSZACIVSA-N 0 3 362.430 -0.119 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000418793537 484642608 /nfs/dbraw/zinc/64/26/08/484642608.db2.gz AKJHXNOMPAOLMT-UHFFFAOYSA-N 0 3 370.494 -0.835 20 0 FBADHN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C(=O)N(CCN)CCO)C1 ZINC000418793573 484641689 /nfs/dbraw/zinc/64/16/89/484641689.db2.gz AOYNGCVKMTZSDR-HNNXBMFYSA-N 0 3 366.437 -0.001 20 0 FBADHN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C(=O)N(CCN)CCO)C1 ZINC000418793574 484641600 /nfs/dbraw/zinc/64/16/00/484641600.db2.gz AOYNGCVKMTZSDR-OAHLLOKOSA-N 0 3 366.437 -0.001 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418793939 484642791 /nfs/dbraw/zinc/64/27/91/484642791.db2.gz AXWISQZKVWDIPH-LLVKDONJSA-N 0 3 368.821 -0.659 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418793949 484642683 /nfs/dbraw/zinc/64/26/83/484642683.db2.gz AXWISQZKVWDIPH-NSHDSACASA-N 0 3 368.821 -0.659 20 0 FBADHN O=C(NCC1(CN2CCOCC2)CCCCC1)C(=O)N1CCNCC1 ZINC000418796937 484642460 /nfs/dbraw/zinc/64/24/60/484642460.db2.gz FJICLVMYWUDIRK-UHFFFAOYSA-N 0 3 352.479 -0.183 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C1CC1 ZINC000418798739 484640598 /nfs/dbraw/zinc/64/05/98/484640598.db2.gz HMZRMHWIPRXXQV-MSOLQXFVSA-N 0 3 374.485 -0.100 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C1CC1 ZINC000418798741 484641024 /nfs/dbraw/zinc/64/10/24/484641024.db2.gz HMZRMHWIPRXXQV-QZTJIDSGSA-N 0 3 374.485 -0.100 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C1CC1 ZINC000418798743 484642481 /nfs/dbraw/zinc/64/24/81/484642481.db2.gz HMZRMHWIPRXXQV-ROUUACIJSA-N 0 3 374.485 -0.100 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C1CC1 ZINC000418798745 484641664 /nfs/dbraw/zinc/64/16/64/484641664.db2.gz HMZRMHWIPRXXQV-ZWKOTPCHSA-N 0 3 374.485 -0.100 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000418799302 484643937 /nfs/dbraw/zinc/64/39/37/484643937.db2.gz BUZAIDPQJKDVCN-CYBMUJFWSA-N 0 3 352.410 -0.310 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000418799303 484643301 /nfs/dbraw/zinc/64/33/01/484643301.db2.gz BUZAIDPQJKDVCN-ZDUSSCGKSA-N 0 3 352.410 -0.310 20 0 FBADHN O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)C(=O)N1CCCNCC1 ZINC000418802979 484644670 /nfs/dbraw/zinc/64/46/70/484644670.db2.gz KWESWGYMHVOVRV-GOSISDBHSA-N 0 3 374.485 -0.132 20 0 FBADHN O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)C(=O)N1CCCNCC1 ZINC000418802987 484645406 /nfs/dbraw/zinc/64/54/06/484645406.db2.gz KWESWGYMHVOVRV-SFHVURJKSA-N 0 3 374.485 -0.132 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000418805586 484645366 /nfs/dbraw/zinc/64/53/66/484645366.db2.gz BOSPUGIADTYMFG-GFCCVEGCSA-N 0 3 368.821 -0.659 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000418805587 484645668 /nfs/dbraw/zinc/64/56/68/484645668.db2.gz BOSPUGIADTYMFG-LBPRGKRZSA-N 0 3 368.821 -0.659 20 0 FBADHN CN1C[C@@H](NC(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)CC1=O ZINC000418806465 484645327 /nfs/dbraw/zinc/64/53/27/484645327.db2.gz OKFXKFOJJZKRLJ-ZNMIVQPWSA-N 0 3 362.405 -0.184 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000418809516 484645452 /nfs/dbraw/zinc/64/54/52/484645452.db2.gz GENYIZSZXSELTA-UHFFFAOYSA-N 0 3 370.837 -0.046 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000418809945 484644693 /nfs/dbraw/zinc/64/46/93/484644693.db2.gz SWWOPVMPJOLAGX-DOTOQJQBSA-N 0 3 362.474 -0.148 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000418809946 484645754 /nfs/dbraw/zinc/64/57/54/484645754.db2.gz SWWOPVMPJOLAGX-NVXWUHKLSA-N 0 3 362.474 -0.148 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000418809947 484644702 /nfs/dbraw/zinc/64/47/02/484644702.db2.gz SWWOPVMPJOLAGX-RDJZCZTQSA-N 0 3 362.474 -0.148 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000418809948 484645772 /nfs/dbraw/zinc/64/57/72/484645772.db2.gz SWWOPVMPJOLAGX-WBVHZDCISA-N 0 3 362.474 -0.148 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 ZINC000418811226 484646876 /nfs/dbraw/zinc/64/68/76/484646876.db2.gz VMGMFVHMIYIYMZ-BPUTZDHNSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 ZINC000418811228 484646404 /nfs/dbraw/zinc/64/64/04/484646404.db2.gz VMGMFVHMIYIYMZ-CWRNSKLLSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 ZINC000418811231 484646686 /nfs/dbraw/zinc/64/66/86/484646686.db2.gz VMGMFVHMIYIYMZ-KBMXLJTQSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 ZINC000418811232 484646265 /nfs/dbraw/zinc/64/62/65/484646265.db2.gz VMGMFVHMIYIYMZ-VNQPRFMTSA-N 0 3 374.441 -0.396 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000418811714 484646887 /nfs/dbraw/zinc/64/68/87/484646887.db2.gz WCPIGOVOHXATHS-AWEZNQCLSA-N 0 3 352.410 -0.310 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000418811715 484647096 /nfs/dbraw/zinc/64/70/96/484647096.db2.gz WCPIGOVOHXATHS-CQSZACIVSA-N 0 3 352.410 -0.310 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418816672 484648591 /nfs/dbraw/zinc/64/85/91/484648591.db2.gz MFFSMQMJGXZFMS-UHFFFAOYSA-N 0 3 362.199 -0.016 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC000418818564 484648413 /nfs/dbraw/zinc/64/84/13/484648413.db2.gz UFUVSFLDLGBZJX-UHFFFAOYSA-N 0 3 364.324 -0.625 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000418823337 484649718 /nfs/dbraw/zinc/64/97/18/484649718.db2.gz SBGFSRNYVGMNJS-UHFFFAOYSA-N 0 3 371.441 -0.243 20 0 FBADHN COCCNCCNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418823891 484650115 /nfs/dbraw/zinc/65/01/15/484650115.db2.gz CPTVAOHTOSFMCQ-UHFFFAOYSA-N 0 3 370.494 -0.510 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000418824651 484652056 /nfs/dbraw/zinc/65/20/56/484652056.db2.gz ATAWBTUTSVSRMU-CHWSQXEVSA-N 0 3 356.467 -0.557 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000418824653 484651111 /nfs/dbraw/zinc/65/11/11/484651111.db2.gz ATAWBTUTSVSRMU-OLZOCXBDSA-N 0 3 356.467 -0.557 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000418824658 484651464 /nfs/dbraw/zinc/65/14/64/484651464.db2.gz ATAWBTUTSVSRMU-QWHCGFSZSA-N 0 3 356.467 -0.557 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000418824659 484651533 /nfs/dbraw/zinc/65/15/33/484651533.db2.gz ATAWBTUTSVSRMU-STQMWFEESA-N 0 3 356.467 -0.557 20 0 FBADHN COc1ccc([C@H](CNC(=O)C(=O)N(C)CCN)N2CCOCC2)cc1 ZINC000418824961 484651879 /nfs/dbraw/zinc/65/18/79/484651879.db2.gz DWNCBZMHTHYDGO-INIZCTEOSA-N 0 3 364.446 -0.398 20 0 FBADHN COc1ccc([C@@H](CNC(=O)C(=O)N(C)CCN)N2CCOCC2)cc1 ZINC000418824962 484651408 /nfs/dbraw/zinc/65/14/08/484651408.db2.gz DWNCBZMHTHYDGO-MRXNPFEDSA-N 0 3 364.446 -0.398 20 0 FBADHN COc1ccccc1[C@H](CNC(=O)C(=O)N(CCN)CCO)N(C)C ZINC000418825652 484651086 /nfs/dbraw/zinc/65/10/86/484651086.db2.gz ANXFFRANQCCDDP-AWEZNQCLSA-N 0 3 352.435 -0.806 20 0 FBADHN COc1ccccc1[C@@H](CNC(=O)C(=O)N(CCN)CCO)N(C)C ZINC000418825656 484651730 /nfs/dbraw/zinc/65/17/30/484651730.db2.gz ANXFFRANQCCDDP-CQSZACIVSA-N 0 3 352.435 -0.806 20 0 FBADHN COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)CN)N(C)C)cc1OC ZINC000418825946 484651935 /nfs/dbraw/zinc/65/19/35/484651935.db2.gz FMQJZGUISGNURJ-AAEUAGOBSA-N 0 3 352.435 -0.114 20 0 FBADHN COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)CN)N(C)C)cc1OC ZINC000418825953 484651678 /nfs/dbraw/zinc/65/16/78/484651678.db2.gz FMQJZGUISGNURJ-DGCLKSJQSA-N 0 3 352.435 -0.114 20 0 FBADHN COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CN)N(C)C)cc1OC ZINC000418825957 484651637 /nfs/dbraw/zinc/65/16/37/484651637.db2.gz FMQJZGUISGNURJ-WCQYABFASA-N 0 3 352.435 -0.114 20 0 FBADHN COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)CN)N(C)C)cc1OC ZINC000418825962 484650850 /nfs/dbraw/zinc/65/08/50/484650850.db2.gz FMQJZGUISGNURJ-YPMHNXCESA-N 0 3 352.435 -0.114 20 0 FBADHN COc1ccc([C@H](CNC(=O)C(=O)N2CCNCC2)N(C)C)cc1OC ZINC000418827322 484651895 /nfs/dbraw/zinc/65/18/95/484651895.db2.gz GRPRVZPHIVBVDZ-AWEZNQCLSA-N 0 3 364.446 -0.146 20 0 FBADHN COc1ccc([C@@H](CNC(=O)C(=O)N2CCNCC2)N(C)C)cc1OC ZINC000418827328 484651326 /nfs/dbraw/zinc/65/13/26/484651326.db2.gz GRPRVZPHIVBVDZ-CQSZACIVSA-N 0 3 364.446 -0.146 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N1Cc2ccccc2C1 ZINC000418831234 484650800 /nfs/dbraw/zinc/65/08/00/484650800.db2.gz PAPLMHFMBCDKRE-DOMZBBRYSA-N 0 3 374.441 -0.126 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N1Cc2ccccc2C1 ZINC000418831238 484651771 /nfs/dbraw/zinc/65/17/71/484651771.db2.gz PAPLMHFMBCDKRE-IUODEOHRSA-N 0 3 374.441 -0.126 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N1Cc2ccccc2C1 ZINC000418831250 484651959 /nfs/dbraw/zinc/65/19/59/484651959.db2.gz PAPLMHFMBCDKRE-SWLSCSKDSA-N 0 3 374.441 -0.126 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N1Cc2ccccc2C1 ZINC000418831254 484651397 /nfs/dbraw/zinc/65/13/97/484651397.db2.gz PAPLMHFMBCDKRE-WFASDCNBSA-N 0 3 374.441 -0.126 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418833833 484654734 /nfs/dbraw/zinc/65/47/34/484654734.db2.gz NWMUOHHEMHHUEN-DOMZBBRYSA-N 0 3 352.410 -0.221 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418833835 484654417 /nfs/dbraw/zinc/65/44/17/484654417.db2.gz NWMUOHHEMHHUEN-IUODEOHRSA-N 0 3 352.410 -0.221 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418833837 484654449 /nfs/dbraw/zinc/65/44/49/484654449.db2.gz NWMUOHHEMHHUEN-SWLSCSKDSA-N 0 3 352.410 -0.221 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418833839 484654967 /nfs/dbraw/zinc/65/49/67/484654967.db2.gz NWMUOHHEMHHUEN-WFASDCNBSA-N 0 3 352.410 -0.221 20 0 FBADHN CN(C)c1cc(CNC(=O)C(=O)N(CCN)CCO)c2ccccc2n1 ZINC000418834322 484654747 /nfs/dbraw/zinc/65/47/47/484654747.db2.gz XVFMIQDGJXZNLZ-UHFFFAOYSA-N 0 3 359.430 -0.303 20 0 FBADHN CN(CCN)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418834570 484654560 /nfs/dbraw/zinc/65/45/60/484654560.db2.gz OSMOFAOVBOTDIN-HNNXBMFYSA-N 0 3 352.410 -0.268 20 0 FBADHN CN(CCN)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418834573 484654770 /nfs/dbraw/zinc/65/47/70/484654770.db2.gz OSMOFAOVBOTDIN-OAHLLOKOSA-N 0 3 352.410 -0.268 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418836287 484654862 /nfs/dbraw/zinc/65/48/62/484654862.db2.gz UMGLBOKLYCRANK-JTQLQIEISA-N 0 3 360.411 -0.974 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418836289 484654837 /nfs/dbraw/zinc/65/48/37/484654837.db2.gz UMGLBOKLYCRANK-SNVBAGLBSA-N 0 3 360.411 -0.974 20 0 FBADHN COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)CN)N2CCOCC2)cc1 ZINC000418836546 484654981 /nfs/dbraw/zinc/65/49/81/484654981.db2.gz RLIVAYQBVWWHJT-BBRMVZONSA-N 0 3 364.446 -0.352 20 0 FBADHN COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)CN)N2CCOCC2)cc1 ZINC000418836547 484654566 /nfs/dbraw/zinc/65/45/66/484654566.db2.gz RLIVAYQBVWWHJT-CJNGLKHVSA-N 0 3 364.446 -0.352 20 0 FBADHN COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)CN)N2CCOCC2)cc1 ZINC000418836548 484654366 /nfs/dbraw/zinc/65/43/66/484654366.db2.gz RLIVAYQBVWWHJT-CZUORRHYSA-N 0 3 364.446 -0.352 20 0 FBADHN COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CN)N2CCOCC2)cc1 ZINC000418836549 484654600 /nfs/dbraw/zinc/65/46/00/484654600.db2.gz RLIVAYQBVWWHJT-XJKSGUPXSA-N 0 3 364.446 -0.352 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418836893 484656414 /nfs/dbraw/zinc/65/64/14/484656414.db2.gz RWEGHRPXEHYQRB-HNNXBMFYSA-N 0 3 368.478 -0.758 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418836894 484655958 /nfs/dbraw/zinc/65/59/58/484655958.db2.gz RWEGHRPXEHYQRB-OAHLLOKOSA-N 0 3 368.478 -0.758 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CC1 ZINC000418837718 484656272 /nfs/dbraw/zinc/65/62/72/484656272.db2.gz UGVWEWXMFUQBDS-DLBZAZTESA-N 0 3 360.458 -0.143 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CC1 ZINC000418837719 484655924 /nfs/dbraw/zinc/65/59/24/484655924.db2.gz UGVWEWXMFUQBDS-IAGOWNOFSA-N 0 3 360.458 -0.143 20 0 FBADHN NC[C@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CC1 ZINC000418837720 484656121 /nfs/dbraw/zinc/65/61/21/484656121.db2.gz UGVWEWXMFUQBDS-IRXDYDNUSA-N 0 3 360.458 -0.143 20 0 FBADHN NC[C@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CC1 ZINC000418837721 484656403 /nfs/dbraw/zinc/65/64/03/484656403.db2.gz UGVWEWXMFUQBDS-SJORKVTESA-N 0 3 360.458 -0.143 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1 ZINC000418837878 484656094 /nfs/dbraw/zinc/65/60/94/484656094.db2.gz BHXTVTJBHDRTHB-KRWDZBQOSA-N 0 3 373.501 -0.259 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1 ZINC000418837879 484656363 /nfs/dbraw/zinc/65/63/63/484656363.db2.gz BHXTVTJBHDRTHB-QGZVFWFLSA-N 0 3 373.501 -0.259 20 0 FBADHN COc1ccc([C@@H](CNC(=O)C(=O)N(C)CCN)N(C)C)cc1OC ZINC000418837979 484657220 /nfs/dbraw/zinc/65/72/20/484657220.db2.gz UOWCCDXLHXCDMV-CYBMUJFWSA-N 0 3 352.435 -0.160 20 0 FBADHN COc1ccc([C@H](CNC(=O)C(=O)N(C)CCN)N(C)C)cc1OC ZINC000418837980 484656748 /nfs/dbraw/zinc/65/67/48/484656748.db2.gz UOWCCDXLHXCDMV-ZDUSSCGKSA-N 0 3 352.435 -0.160 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000418838635 484657509 /nfs/dbraw/zinc/65/75/09/484657509.db2.gz CIRXOTXGFPGSMG-GOSISDBHSA-N 0 3 373.501 -0.226 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000418838637 484657046 /nfs/dbraw/zinc/65/70/46/484657046.db2.gz CIRXOTXGFPGSMG-SFHVURJKSA-N 0 3 373.501 -0.226 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)C1CC1 ZINC000418839000 484657383 /nfs/dbraw/zinc/65/73/83/484657383.db2.gz WHNOCYGODLXMAB-HNNXBMFYSA-N 0 3 352.479 -0.009 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)C1CC1 ZINC000418839001 484657572 /nfs/dbraw/zinc/65/75/72/484657572.db2.gz WHNOCYGODLXMAB-OAHLLOKOSA-N 0 3 352.479 -0.009 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418839836 484657612 /nfs/dbraw/zinc/65/76/12/484657612.db2.gz ZIIUZMIPKCMDSM-LLVKDONJSA-N 0 3 374.438 -0.632 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418839837 484657011 /nfs/dbraw/zinc/65/70/11/484657011.db2.gz ZIIUZMIPKCMDSM-NSHDSACASA-N 0 3 374.438 -0.632 20 0 FBADHN CCN(CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)S(C)(=O)=O ZINC000418840294 484659054 /nfs/dbraw/zinc/65/90/54/484659054.db2.gz BYDBBXWBTYTEOY-CHWSQXEVSA-N 0 3 362.496 -0.640 20 0 FBADHN CCN(CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)S(C)(=O)=O ZINC000418840295 484658830 /nfs/dbraw/zinc/65/88/30/484658830.db2.gz BYDBBXWBTYTEOY-OLZOCXBDSA-N 0 3 362.496 -0.640 20 0 FBADHN CCN(CCCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)S(C)(=O)=O ZINC000418840296 484658604 /nfs/dbraw/zinc/65/86/04/484658604.db2.gz BYDBBXWBTYTEOY-QWHCGFSZSA-N 0 3 362.496 -0.640 20 0 FBADHN CCN(CCCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)S(C)(=O)=O ZINC000418840297 484658994 /nfs/dbraw/zinc/65/89/94/484658994.db2.gz BYDBBXWBTYTEOY-STQMWFEESA-N 0 3 362.496 -0.640 20 0 FBADHN COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)N(C)C)c1 ZINC000418841600 484658702 /nfs/dbraw/zinc/65/87/02/484658702.db2.gz GUXYKCJLAPQXJN-CVEARBPZSA-N 0 3 364.446 -0.481 20 0 FBADHN COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)N(C)C)c1 ZINC000418841601 484658937 /nfs/dbraw/zinc/65/89/37/484658937.db2.gz GUXYKCJLAPQXJN-HOTGVXAUSA-N 0 3 364.446 -0.481 20 0 FBADHN COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)N(C)C)c1 ZINC000418841602 484658855 /nfs/dbraw/zinc/65/88/55/484658855.db2.gz GUXYKCJLAPQXJN-HZPDHXFCSA-N 0 3 364.446 -0.481 20 0 FBADHN COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)N(C)C)c1 ZINC000418841603 484658330 /nfs/dbraw/zinc/65/83/30/484658330.db2.gz GUXYKCJLAPQXJN-JKSUJKDBSA-N 0 3 364.446 -0.481 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000418841888 484658715 /nfs/dbraw/zinc/65/87/15/484658715.db2.gz FXUSVQWAMAGYRB-SECBINFHSA-N 0 3 371.235 -0.242 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000418841889 484658483 /nfs/dbraw/zinc/65/84/83/484658483.db2.gz FXUSVQWAMAGYRB-VIFPVBQESA-N 0 3 371.235 -0.242 20 0 FBADHN CCN(CCCNC(=O)C(=O)N[C@H](CN)C1CCCC1)S(C)(=O)=O ZINC000418843848 484659902 /nfs/dbraw/zinc/65/99/02/484659902.db2.gz IVBVHTHVXAJBLG-CYBMUJFWSA-N 0 3 362.496 -0.592 20 0 FBADHN CCN(CCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)S(C)(=O)=O ZINC000418843849 484659729 /nfs/dbraw/zinc/65/97/29/484659729.db2.gz IVBVHTHVXAJBLG-ZDUSSCGKSA-N 0 3 362.496 -0.592 20 0 FBADHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418844428 484659668 /nfs/dbraw/zinc/65/96/68/484659668.db2.gz JZYODGAKDMASNM-CMPLNLGQSA-N 0 3 357.357 -0.047 20 0 FBADHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418844429 484660512 /nfs/dbraw/zinc/66/05/12/484660512.db2.gz JZYODGAKDMASNM-JQWIXIFHSA-N 0 3 357.357 -0.047 20 0 FBADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418844430 484660489 /nfs/dbraw/zinc/66/04/89/484660489.db2.gz JZYODGAKDMASNM-PWSUYJOCSA-N 0 3 357.357 -0.047 20 0 FBADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418844431 484660004 /nfs/dbraw/zinc/66/00/04/484660004.db2.gz JZYODGAKDMASNM-ZYHUDNBSSA-N 0 3 357.357 -0.047 20 0 FBADHN CCN(CCCNC(=O)C(=O)NC[C@H](N)c1ccccc1)S(C)(=O)=O ZINC000418844857 484659651 /nfs/dbraw/zinc/65/96/51/484659651.db2.gz LIQLOWCAVQPBBD-AWEZNQCLSA-N 0 3 370.475 -0.410 20 0 FBADHN CCN(CCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)S(C)(=O)=O ZINC000418844866 484660139 /nfs/dbraw/zinc/66/01/39/484660139.db2.gz LIQLOWCAVQPBBD-CQSZACIVSA-N 0 3 370.475 -0.410 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000418845223 484660425 /nfs/dbraw/zinc/66/04/25/484660425.db2.gz NWVBGFHYQVSWOW-UHFFFAOYSA-N 0 3 351.403 -0.184 20 0 FBADHN COc1cccc([C@H](CNC(=O)C(=O)N(CCN)CCO)N(C)C)c1 ZINC000418847257 484661093 /nfs/dbraw/zinc/66/10/93/484661093.db2.gz HSALIGXNFPKEGQ-HNNXBMFYSA-N 0 3 352.435 -0.806 20 0 FBADHN COc1cccc([C@@H](CNC(=O)C(=O)N(CCN)CCO)N(C)C)c1 ZINC000418847259 484660943 /nfs/dbraw/zinc/66/09/43/484660943.db2.gz HSALIGXNFPKEGQ-OAHLLOKOSA-N 0 3 352.435 -0.806 20 0 FBADHN COc1cccc(N2CCC[C@H](NC(=O)C(=O)N(CCN)CCO)C2)c1 ZINC000418850556 484661586 /nfs/dbraw/zinc/66/15/86/484661586.db2.gz CSVKDRUZOVWOEO-AWEZNQCLSA-N 0 3 364.446 -0.440 20 0 FBADHN COc1cccc(N2CCC[C@@H](NC(=O)C(=O)N(CCN)CCO)C2)c1 ZINC000418850557 484661671 /nfs/dbraw/zinc/66/16/71/484661671.db2.gz CSVKDRUZOVWOEO-CQSZACIVSA-N 0 3 364.446 -0.440 20 0 FBADHN COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)N(C)C ZINC000418851711 484663715 /nfs/dbraw/zinc/66/37/15/484663715.db2.gz PXZDPCBPDPXUQL-DZGCQCFKSA-N 0 3 364.446 -0.481 20 0 FBADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)N(C)C ZINC000418851712 484663096 /nfs/dbraw/zinc/66/30/96/484663096.db2.gz PXZDPCBPDPXUQL-HIFRSBDPSA-N 0 3 364.446 -0.481 20 0 FBADHN COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)N(C)C ZINC000418851713 484663358 /nfs/dbraw/zinc/66/33/58/484663358.db2.gz PXZDPCBPDPXUQL-UKRRQHHQSA-N 0 3 364.446 -0.481 20 0 FBADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)N(C)C ZINC000418851714 484663321 /nfs/dbraw/zinc/66/33/21/484663321.db2.gz PXZDPCBPDPXUQL-ZFWWWQNUSA-N 0 3 364.446 -0.481 20 0 FBADHN NCCNC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000418852321 484663525 /nfs/dbraw/zinc/66/35/25/484663525.db2.gz UWQNZIPGMHINDE-UHFFFAOYSA-N 0 3 357.208 -0.630 20 0 FBADHN CN(CCN)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000418853460 484663562 /nfs/dbraw/zinc/66/35/62/484663562.db2.gz XUNNWLXTJYNGQV-UHFFFAOYSA-N 0 3 371.235 -0.288 20 0 FBADHN CCN(CCCNC(=O)C(=O)N[C@@H](CN)CC(C)C)S(C)(=O)=O ZINC000418853883 484662519 /nfs/dbraw/zinc/66/25/19/484662519.db2.gz YNRLPSSXSQJUMR-GFCCVEGCSA-N 0 3 350.485 -0.736 20 0 FBADHN CCN(CCCNC(=O)C(=O)N[C@H](CN)CC(C)C)S(C)(=O)=O ZINC000418853884 484663839 /nfs/dbraw/zinc/66/38/39/484663839.db2.gz YNRLPSSXSQJUMR-LBPRGKRZSA-N 0 3 350.485 -0.736 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)[C@H](CN)C1 ZINC000418854920 484664980 /nfs/dbraw/zinc/66/49/80/484664980.db2.gz CHFPCQWEABRPJM-ARFHVFGLSA-N 0 3 374.441 -0.127 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)[C@@H](CN)C1 ZINC000418854921 484665059 /nfs/dbraw/zinc/66/50/59/484665059.db2.gz CHFPCQWEABRPJM-BZUAXINKSA-N 0 3 374.441 -0.127 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)[C@@H](CN)C1 ZINC000418854923 484665038 /nfs/dbraw/zinc/66/50/38/484665038.db2.gz CHFPCQWEABRPJM-OAGGEKHMSA-N 0 3 374.441 -0.127 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)[C@H](CN)C1 ZINC000418854924 484664930 /nfs/dbraw/zinc/66/49/30/484664930.db2.gz CHFPCQWEABRPJM-XHSDSOJGSA-N 0 3 374.441 -0.127 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418858828 484667522 /nfs/dbraw/zinc/66/75/22/484667522.db2.gz KCUCDIWRMIYIBW-KRWDZBQOSA-N 0 3 373.501 -0.259 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418858829 484668046 /nfs/dbraw/zinc/66/80/46/484668046.db2.gz KCUCDIWRMIYIBW-QGZVFWFLSA-N 0 3 373.501 -0.259 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000418863085 484669523 /nfs/dbraw/zinc/66/95/23/484669523.db2.gz BEQKPBJRZIDZKP-KBPBESRZSA-N 0 3 350.467 -0.005 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000418863086 484669164 /nfs/dbraw/zinc/66/91/64/484669164.db2.gz BEQKPBJRZIDZKP-KGLIPLIRSA-N 0 3 350.467 -0.005 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000418863087 484669442 /nfs/dbraw/zinc/66/94/42/484669442.db2.gz BEQKPBJRZIDZKP-UONOGXRCSA-N 0 3 350.467 -0.005 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000418863088 484669940 /nfs/dbraw/zinc/66/99/40/484669940.db2.gz BEQKPBJRZIDZKP-ZIAGYGMSSA-N 0 3 350.467 -0.005 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000418865795 484669364 /nfs/dbraw/zinc/66/93/64/484669364.db2.gz SGTFZIMXAQQBJF-CYBMUJFWSA-N 0 3 354.476 -0.219 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000418865827 484669760 /nfs/dbraw/zinc/66/97/60/484669760.db2.gz SGTFZIMXAQQBJF-ZDUSSCGKSA-N 0 3 354.476 -0.219 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1 ZINC000418866649 484671080 /nfs/dbraw/zinc/67/10/80/484671080.db2.gz LBDJWZXOYBBNOM-ARFHVFGLSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1 ZINC000418866650 484671352 /nfs/dbraw/zinc/67/13/52/484671352.db2.gz LBDJWZXOYBBNOM-HRCADAONSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1 ZINC000418866651 484671387 /nfs/dbraw/zinc/67/13/87/484671387.db2.gz LBDJWZXOYBBNOM-JYJNAYRXSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1 ZINC000418866652 484671102 /nfs/dbraw/zinc/67/11/02/484671102.db2.gz LBDJWZXOYBBNOM-XHSDSOJGSA-N 0 3 374.441 -0.396 20 0 FBADHN C[C@H](NC(=O)C(=O)N(CCN)CCO)c1cnn(Cc2ccccc2)c1 ZINC000418867433 484671491 /nfs/dbraw/zinc/67/14/91/484671491.db2.gz OEIZYAQPXDIIDE-AWEZNQCLSA-N 0 3 359.430 -0.112 20 0 FBADHN C[C@@H](NC(=O)C(=O)N(CCN)CCO)c1cnn(Cc2ccccc2)c1 ZINC000418867434 484671287 /nfs/dbraw/zinc/67/12/87/484671287.db2.gz OEIZYAQPXDIIDE-CQSZACIVSA-N 0 3 359.430 -0.112 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418871105 484673404 /nfs/dbraw/zinc/67/34/04/484673404.db2.gz ZNLYVOPYJKVWLQ-INIZCTEOSA-N 0 3 361.490 -0.274 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418871106 484672345 /nfs/dbraw/zinc/67/23/45/484672345.db2.gz ZNLYVOPYJKVWLQ-MRXNPFEDSA-N 0 3 361.490 -0.274 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)NCCNC(=O)C2CC2)C[C@H]1c1ccccc1F ZINC000418875860 484676386 /nfs/dbraw/zinc/67/63/86/484676386.db2.gz LCQXSEVBBCHENW-DZGCQCFKSA-N 0 3 362.405 -0.279 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N(CCN)CCO)c1ccccc1Cl ZINC000418876955 484676669 /nfs/dbraw/zinc/67/66/69/484676669.db2.gz NGMFBXPFZLQEOJ-AWEZNQCLSA-N 0 3 356.854 -0.162 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N(CCN)CCO)c1ccccc1Cl ZINC000418876956 484676340 /nfs/dbraw/zinc/67/63/40/484676340.db2.gz NGMFBXPFZLQEOJ-CQSZACIVSA-N 0 3 356.854 -0.162 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000418878796 484677837 /nfs/dbraw/zinc/67/78/37/484677837.db2.gz AZAJWSNONQDCDF-BFHYXJOUSA-N 0 3 374.507 -0.546 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000418878798 484678456 /nfs/dbraw/zinc/67/84/56/484678456.db2.gz AZAJWSNONQDCDF-IHRRRGAJSA-N 0 3 374.507 -0.546 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000418878800 484677610 /nfs/dbraw/zinc/67/76/10/484677610.db2.gz AZAJWSNONQDCDF-MELADBBJSA-N 0 3 374.507 -0.546 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000418878803 484677454 /nfs/dbraw/zinc/67/74/54/484677454.db2.gz AZAJWSNONQDCDF-MJBXVCDLSA-N 0 3 374.507 -0.546 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418879392 484675993 /nfs/dbraw/zinc/67/59/93/484675993.db2.gz NHXPOLZCDIOFKF-PBHICJAKSA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418879399 484676134 /nfs/dbraw/zinc/67/61/34/484676134.db2.gz NHXPOLZCDIOFKF-RHSMWYFYSA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418879402 484676799 /nfs/dbraw/zinc/67/67/99/484676799.db2.gz NHXPOLZCDIOFKF-WMLDXEAASA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418879409 484676751 /nfs/dbraw/zinc/67/67/51/484676751.db2.gz NHXPOLZCDIOFKF-YOEHRIQHSA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879438 484676847 /nfs/dbraw/zinc/67/68/47/484676847.db2.gz CATWJJWIJOVVIW-KBPBESRZSA-N 0 3 362.430 -0.412 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879439 484676611 /nfs/dbraw/zinc/67/66/11/484676611.db2.gz CATWJJWIJOVVIW-KGLIPLIRSA-N 0 3 362.430 -0.412 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879440 484676348 /nfs/dbraw/zinc/67/63/48/484676348.db2.gz CATWJJWIJOVVIW-UONOGXRCSA-N 0 3 362.430 -0.412 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879441 484676267 /nfs/dbraw/zinc/67/62/67/484676267.db2.gz CATWJJWIJOVVIW-ZIAGYGMSSA-N 0 3 362.430 -0.412 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)NCCNC(=O)C2CC2)C[C@H]1c1cccc(F)c1 ZINC000418879516 484676405 /nfs/dbraw/zinc/67/64/05/484676405.db2.gz SVFWVJSNWWVSFL-LSDHHAIUSA-N 0 3 362.405 -0.279 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418881177 484679749 /nfs/dbraw/zinc/67/97/49/484679749.db2.gz GXNHMMBQBKEEHW-JHJVBQTASA-N 0 3 362.496 -0.690 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418881178 484679555 /nfs/dbraw/zinc/67/95/55/484679555.db2.gz GXNHMMBQBKEEHW-UPJWGTAASA-N 0 3 362.496 -0.690 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418881179 484679398 /nfs/dbraw/zinc/67/93/98/484679398.db2.gz GXNHMMBQBKEEHW-XQQFMLRXSA-N 0 3 362.496 -0.690 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418881180 484679510 /nfs/dbraw/zinc/67/95/10/484679510.db2.gz GXNHMMBQBKEEHW-YNEHKIRRSA-N 0 3 362.496 -0.690 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418882352 484679359 /nfs/dbraw/zinc/67/93/59/484679359.db2.gz SVJNLQXBLNGPQW-ILXRZTDVSA-N 0 3 370.494 -0.167 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418882353 484679785 /nfs/dbraw/zinc/67/97/85/484679785.db2.gz SVJNLQXBLNGPQW-KFWWJZLASA-N 0 3 370.494 -0.167 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418882354 484679124 /nfs/dbraw/zinc/67/91/24/484679124.db2.gz SVJNLQXBLNGPQW-QLFBSQMISA-N 0 3 370.494 -0.167 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418882355 484679208 /nfs/dbraw/zinc/67/92/08/484679208.db2.gz SVJNLQXBLNGPQW-RBSFLKMASA-N 0 3 370.494 -0.167 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418883076 484679164 /nfs/dbraw/zinc/67/91/64/484679164.db2.gz LABJTCKHWGSUPZ-CYBMUJFWSA-N 0 3 359.434 -0.045 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418883078 484679262 /nfs/dbraw/zinc/67/92/62/484679262.db2.gz LABJTCKHWGSUPZ-ZDUSSCGKSA-N 0 3 359.434 -0.045 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCN1 ZINC000418884575 484681300 /nfs/dbraw/zinc/68/13/00/484681300.db2.gz WVZSXQZAZNZPEA-PBHICJAKSA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCN1 ZINC000418884576 484680345 /nfs/dbraw/zinc/68/03/45/484680345.db2.gz WVZSXQZAZNZPEA-RHSMWYFYSA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCN1 ZINC000418884578 484681205 /nfs/dbraw/zinc/68/12/05/484681205.db2.gz WVZSXQZAZNZPEA-WMLDXEAASA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCN1 ZINC000418884583 484680414 /nfs/dbraw/zinc/68/04/14/484680414.db2.gz WVZSXQZAZNZPEA-YOEHRIQHSA-N 0 3 360.458 -0.310 20 0 FBADHN NCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000418885001 484681362 /nfs/dbraw/zinc/68/13/62/484681362.db2.gz XUHMORKXIBJPEG-CYBMUJFWSA-N 0 3 354.357 -0.353 20 0 FBADHN NCCNC(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000418885003 484680585 /nfs/dbraw/zinc/68/05/85/484680585.db2.gz XUHMORKXIBJPEG-ZDUSSCGKSA-N 0 3 354.357 -0.353 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCCO1 ZINC000418885165 484681570 /nfs/dbraw/zinc/68/15/70/484681570.db2.gz XXLLRAZYUAZLGM-HRCADAONSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCCO1 ZINC000418885166 484680812 /nfs/dbraw/zinc/68/08/12/484680812.db2.gz XXLLRAZYUAZLGM-OAGGEKHMSA-N 0 3 352.479 -0.044 20 0 FBADHN CN(CCN)C(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000418885200 484680826 /nfs/dbraw/zinc/68/08/26/484680826.db2.gz YBIXOWPKKNBAJS-AWEZNQCLSA-N 0 3 368.384 -0.011 20 0 FBADHN CN(CCN)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000418885201 484680737 /nfs/dbraw/zinc/68/07/37/484680737.db2.gz YBIXOWPKKNBAJS-CQSZACIVSA-N 0 3 368.384 -0.011 20 0 FBADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418885404 484681483 /nfs/dbraw/zinc/68/14/83/484681483.db2.gz HZYCLAPLXLLATG-AWEZNQCLSA-N 0 3 359.430 -0.044 20 0 FBADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418885405 484681170 /nfs/dbraw/zinc/68/11/70/484681170.db2.gz HZYCLAPLXLLATG-CQSZACIVSA-N 0 3 359.430 -0.044 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)[C@@H]1CN ZINC000418885680 484681042 /nfs/dbraw/zinc/68/10/42/484681042.db2.gz PMWDVBZYDFJAHS-AAVRWANBSA-N 0 3 374.507 -0.594 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)[C@H]1CN ZINC000418885681 484680454 /nfs/dbraw/zinc/68/04/54/484680454.db2.gz PMWDVBZYDFJAHS-RQJABVFESA-N 0 3 374.507 -0.594 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)[C@H]1CN ZINC000418885682 484681542 /nfs/dbraw/zinc/68/15/42/484681542.db2.gz PMWDVBZYDFJAHS-SYQHCUMBSA-N 0 3 374.507 -0.594 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)[C@@H]1CN ZINC000418885683 484680920 /nfs/dbraw/zinc/68/09/20/484680920.db2.gz PMWDVBZYDFJAHS-XJFOESAGSA-N 0 3 374.507 -0.594 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCc1nnnn1-c1ccccc1)C1CCCC1 ZINC000418886529 484681326 /nfs/dbraw/zinc/68/13/26/484681326.db2.gz RESMADUJYAOMGP-HNNXBMFYSA-N 0 3 371.445 -0.045 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCc1nnnn1-c1ccccc1)C1CCCC1 ZINC000418886530 484681524 /nfs/dbraw/zinc/68/15/24/484681524.db2.gz RESMADUJYAOMGP-OAHLLOKOSA-N 0 3 371.445 -0.045 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CC(=O)N1Cc1ccccc1 ZINC000418886757 484681012 /nfs/dbraw/zinc/68/10/12/484681012.db2.gz BVFLKGQRGRFGRZ-BMFZPTHFSA-N 0 3 374.441 -0.603 20 0 FBADHN C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CC(=O)N1Cc1ccccc1 ZINC000418886760 484681099 /nfs/dbraw/zinc/68/10/99/484681099.db2.gz BVFLKGQRGRFGRZ-FVQBIDKESA-N 0 3 374.441 -0.603 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CC(=O)N1Cc1ccccc1 ZINC000418886762 484680905 /nfs/dbraw/zinc/68/09/05/484680905.db2.gz BVFLKGQRGRFGRZ-KBMXLJTQSA-N 0 3 374.441 -0.603 20 0 FBADHN C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CC(=O)N1Cc1ccccc1 ZINC000418886764 484680507 /nfs/dbraw/zinc/68/05/07/484680507.db2.gz BVFLKGQRGRFGRZ-VNQPRFMTSA-N 0 3 374.441 -0.603 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000418887180 484682507 /nfs/dbraw/zinc/68/25/07/484682507.db2.gz AQGPQMXIEXHPQI-UHFFFAOYSA-N 0 3 363.393 -0.020 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1CN ZINC000418887631 484681939 /nfs/dbraw/zinc/68/19/39/484681939.db2.gz SJQRRNSWUYWAQK-AVGNSLFASA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCCC[C@H]1CN ZINC000418887634 484682539 /nfs/dbraw/zinc/68/25/39/484682539.db2.gz SJQRRNSWUYWAQK-RWMBFGLXSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000418887635 484682301 /nfs/dbraw/zinc/68/23/01/484682301.db2.gz SJQRRNSWUYWAQK-XQQFMLRXSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000418887636 484682396 /nfs/dbraw/zinc/68/23/96/484682396.db2.gz SJQRRNSWUYWAQK-YNEHKIRRSA-N 0 3 360.480 -0.840 20 0 FBADHN COc1ccc([C@H]2C[C@H](NC(=O)C(=O)N(CCN)CCO)C2)cc1F ZINC000418887748 484682754 /nfs/dbraw/zinc/68/27/54/484682754.db2.gz DODYESDSZRWIML-JOCQHMNTSA-N 0 3 353.394 -0.024 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418888149 484682766 /nfs/dbraw/zinc/68/27/66/484682766.db2.gz STCDYFPYBQBUOV-CABCVRRESA-N 0 3 374.441 -0.268 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418888150 484682732 /nfs/dbraw/zinc/68/27/32/484682732.db2.gz STCDYFPYBQBUOV-GJZGRUSLSA-N 0 3 374.441 -0.268 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418888152 484682811 /nfs/dbraw/zinc/68/28/11/484682811.db2.gz STCDYFPYBQBUOV-HUUCEWRRSA-N 0 3 374.441 -0.268 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418888154 484682042 /nfs/dbraw/zinc/68/20/42/484682042.db2.gz STCDYFPYBQBUOV-LSDHHAIUSA-N 0 3 374.441 -0.268 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CC1 ZINC000418889280 484682913 /nfs/dbraw/zinc/68/29/13/484682913.db2.gz VBDULQGXPYUEKA-GDBMZVCRSA-N 0 3 374.441 -0.364 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)C1CC1 ZINC000418889281 484682003 /nfs/dbraw/zinc/68/20/03/484682003.db2.gz VBDULQGXPYUEKA-GOEBONIOSA-N 0 3 374.441 -0.364 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)C1CC1 ZINC000418889599 484682777 /nfs/dbraw/zinc/68/27/77/484682777.db2.gz VBDULQGXPYUEKA-HOCLYGCPSA-N 0 3 374.441 -0.364 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CC1 ZINC000418889601 484682264 /nfs/dbraw/zinc/68/22/64/484682264.db2.gz VBDULQGXPYUEKA-ZBFHGGJFSA-N 0 3 374.441 -0.364 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418890185 484682315 /nfs/dbraw/zinc/68/23/15/484682315.db2.gz VXCXPVJDRMVFLV-JHJVBQTASA-N 0 3 362.496 -0.546 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418890186 484682878 /nfs/dbraw/zinc/68/28/78/484682878.db2.gz VXCXPVJDRMVFLV-UPJWGTAASA-N 0 3 362.496 -0.546 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418890187 484682717 /nfs/dbraw/zinc/68/27/17/484682717.db2.gz VXCXPVJDRMVFLV-XQQFMLRXSA-N 0 3 362.496 -0.546 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418890188 484682121 /nfs/dbraw/zinc/68/21/21/484682121.db2.gz VXCXPVJDRMVFLV-YNEHKIRRSA-N 0 3 362.496 -0.546 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCCc2nnnn2-c2ccccc2)[C@@H]1CN ZINC000418891195 484682789 /nfs/dbraw/zinc/68/27/89/484682789.db2.gz WYXJQBJNUVFAGM-DZGCQCFKSA-N 0 3 371.445 -0.093 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2nnnn2-c2ccccc2)[C@H]1CN ZINC000418891196 484681960 /nfs/dbraw/zinc/68/19/60/484681960.db2.gz WYXJQBJNUVFAGM-HIFRSBDPSA-N 0 3 371.445 -0.093 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2nnnn2-c2ccccc2)[C@@H]1CN ZINC000418891197 484682967 /nfs/dbraw/zinc/68/29/67/484682967.db2.gz WYXJQBJNUVFAGM-UKRRQHHQSA-N 0 3 371.445 -0.093 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCCc2nnnn2-c2ccccc2)[C@H]1CN ZINC000418891198 484682375 /nfs/dbraw/zinc/68/23/75/484682375.db2.gz WYXJQBJNUVFAGM-ZFWWWQNUSA-N 0 3 371.445 -0.093 20 0 FBADHN O=C(COc1ccccc1)N1CC[C@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000418893191 484683815 /nfs/dbraw/zinc/68/38/15/484683815.db2.gz ZNAMKZICZWDTGV-HNNXBMFYSA-N 0 3 374.441 -0.396 20 0 FBADHN O=C(COc1ccccc1)N1CC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000418893195 484684037 /nfs/dbraw/zinc/68/40/37/484684037.db2.gz ZNAMKZICZWDTGV-OAHLLOKOSA-N 0 3 374.441 -0.396 20 0 FBADHN NCCNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418895244 484684538 /nfs/dbraw/zinc/68/45/38/484684538.db2.gz SOQQVDZQYNKVFP-UHFFFAOYSA-N 0 3 362.839 -0.801 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000418896944 484683669 /nfs/dbraw/zinc/68/36/69/484683669.db2.gz WQBJWBZUAXYYSG-INIZCTEOSA-N 0 3 372.425 -0.515 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000418896945 484683895 /nfs/dbraw/zinc/68/38/95/484683895.db2.gz WQBJWBZUAXYYSG-MRXNPFEDSA-N 0 3 372.425 -0.515 20 0 FBADHN C[C@H]1[C@H](NC(=O)C(=O)N(CCN)CCO)CC(=O)N1Cc1ccccc1 ZINC000418898644 484683950 /nfs/dbraw/zinc/68/39/50/484683950.db2.gz ZZSYZQZQVRAZDP-DZGCQCFKSA-N 0 3 362.430 -0.928 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C(=O)N(CCN)CCO)CC(=O)N1Cc1ccccc1 ZINC000418898652 484683633 /nfs/dbraw/zinc/68/36/33/484683633.db2.gz ZZSYZQZQVRAZDP-HIFRSBDPSA-N 0 3 362.430 -0.928 20 0 FBADHN C[C@@H]1[C@H](NC(=O)C(=O)N(CCN)CCO)CC(=O)N1Cc1ccccc1 ZINC000418898654 484684555 /nfs/dbraw/zinc/68/45/55/484684555.db2.gz ZZSYZQZQVRAZDP-UKRRQHHQSA-N 0 3 362.430 -0.928 20 0 FBADHN C[C@H]1[C@@H](NC(=O)C(=O)N(CCN)CCO)CC(=O)N1Cc1ccccc1 ZINC000418898656 484684499 /nfs/dbraw/zinc/68/44/99/484684499.db2.gz ZZSYZQZQVRAZDP-ZFWWWQNUSA-N 0 3 362.430 -0.928 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000418901144 484684272 /nfs/dbraw/zinc/68/42/72/484684272.db2.gz FAQWYIPHQDJAHY-HNNXBMFYSA-N 0 3 368.478 -0.222 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000418901145 484684204 /nfs/dbraw/zinc/68/42/04/484684204.db2.gz FAQWYIPHQDJAHY-OAHLLOKOSA-N 0 3 368.478 -0.222 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000418902682 484683461 /nfs/dbraw/zinc/68/34/61/484683461.db2.gz RJFYNSUDAPDZLS-GFCCVEGCSA-N 0 3 351.403 -0.013 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000418902683 484684350 /nfs/dbraw/zinc/68/43/50/484684350.db2.gz RJFYNSUDAPDZLS-LBPRGKRZSA-N 0 3 351.403 -0.013 20 0 FBADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H](C)CN ZINC000418904859 484683545 /nfs/dbraw/zinc/68/35/45/484683545.db2.gz OTSDKDKIPMCTHX-NEPJUHHUSA-N 0 3 356.448 -0.677 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418904860 484684327 /nfs/dbraw/zinc/68/43/27/484684327.db2.gz OTSDKDKIPMCTHX-NWDGAFQWSA-N 0 3 356.448 -0.677 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418904861 484684590 /nfs/dbraw/zinc/68/45/90/484684590.db2.gz OTSDKDKIPMCTHX-RYUDHWBXSA-N 0 3 356.448 -0.677 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418904863 484685174 /nfs/dbraw/zinc/68/51/74/484685174.db2.gz OTSDKDKIPMCTHX-VXGBXAGGSA-N 0 3 356.448 -0.677 20 0 FBADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)[C@H](C)CN ZINC000418907444 484690450 /nfs/dbraw/zinc/69/04/50/484690450.db2.gz RMWDPMPCAMELPI-CHWSQXEVSA-N 0 3 370.475 -0.335 20 0 FBADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000418907445 484692234 /nfs/dbraw/zinc/69/22/34/484692234.db2.gz RMWDPMPCAMELPI-OLZOCXBDSA-N 0 3 370.475 -0.335 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418907446 484692138 /nfs/dbraw/zinc/69/21/38/484692138.db2.gz RMWDPMPCAMELPI-QWHCGFSZSA-N 0 3 370.475 -0.335 20 0 FBADHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000418907447 484691306 /nfs/dbraw/zinc/69/13/06/484691306.db2.gz RMWDPMPCAMELPI-STQMWFEESA-N 0 3 370.475 -0.335 20 0 FBADHN O=C(NCc1ccccc1CN1CCOCC1)C(=O)N1CCCNCC1 ZINC000418908825 484691372 /nfs/dbraw/zinc/69/13/72/484691372.db2.gz IHHSDXWRKPJTFN-UHFFFAOYSA-N 0 3 360.458 -0.043 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1c1ccc(Cl)cc1 ZINC000418909973 484692174 /nfs/dbraw/zinc/69/21/74/484692174.db2.gz OLLJMLBEVVKPCA-CABCVRRESA-N 0 3 368.865 -0.019 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1c1ccc(Cl)cc1 ZINC000418909975 484691820 /nfs/dbraw/zinc/69/18/20/484691820.db2.gz OLLJMLBEVVKPCA-GJZGRUSLSA-N 0 3 368.865 -0.019 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1c1ccc(Cl)cc1 ZINC000418909976 484691763 /nfs/dbraw/zinc/69/17/63/484691763.db2.gz OLLJMLBEVVKPCA-HUUCEWRRSA-N 0 3 368.865 -0.019 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1c1ccc(Cl)cc1 ZINC000418909978 484692098 /nfs/dbraw/zinc/69/20/98/484692098.db2.gz OLLJMLBEVVKPCA-LSDHHAIUSA-N 0 3 368.865 -0.019 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N(C)CCN)cc1 ZINC000418910652 484692115 /nfs/dbraw/zinc/69/21/15/484692115.db2.gz KGNVQQOQPSWJOZ-UHFFFAOYSA-N 0 3 370.475 -0.250 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000418912112 484692000 /nfs/dbraw/zinc/69/20/00/484692000.db2.gz QYKCFCRUGLOXIZ-AWEZNQCLSA-N 0 3 354.451 -0.794 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000418912113 484691536 /nfs/dbraw/zinc/69/15/36/484691536.db2.gz QYKCFCRUGLOXIZ-CQSZACIVSA-N 0 3 354.451 -0.794 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913709 484690924 /nfs/dbraw/zinc/69/09/24/484690924.db2.gz SSSMEAOATVFFSV-CABCVRRESA-N 0 3 370.400 -0.394 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000418913710 484691248 /nfs/dbraw/zinc/69/12/48/484691248.db2.gz SSSMEAOATVFFSV-GJZGRUSLSA-N 0 3 370.400 -0.394 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1c1ccc(F)c(F)c1 ZINC000418913711 484691282 /nfs/dbraw/zinc/69/12/82/484691282.db2.gz SSSMEAOATVFFSV-HUUCEWRRSA-N 0 3 370.400 -0.394 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1c1ccc(F)c(F)c1 ZINC000418913712 484692158 /nfs/dbraw/zinc/69/21/58/484692158.db2.gz SSSMEAOATVFFSV-LSDHHAIUSA-N 0 3 370.400 -0.394 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000418915170 484691420 /nfs/dbraw/zinc/69/14/20/484691420.db2.gz UUXLVDIFDZUKBO-CYBMUJFWSA-N 0 3 366.393 -0.783 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000418915171 484691438 /nfs/dbraw/zinc/69/14/38/484691438.db2.gz UUXLVDIFDZUKBO-ZDUSSCGKSA-N 0 3 366.393 -0.783 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000418916114 484691120 /nfs/dbraw/zinc/69/11/20/484691120.db2.gz WEONGSNURWWTHQ-CABCVRRESA-N 0 3 366.462 -0.469 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000418916116 484692029 /nfs/dbraw/zinc/69/20/29/484692029.db2.gz WEONGSNURWWTHQ-GJZGRUSLSA-N 0 3 366.462 -0.469 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000418916117 484691683 /nfs/dbraw/zinc/69/16/83/484691683.db2.gz WEONGSNURWWTHQ-HUUCEWRRSA-N 0 3 366.462 -0.469 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000418916118 484691295 /nfs/dbraw/zinc/69/12/95/484691295.db2.gz WEONGSNURWWTHQ-LSDHHAIUSA-N 0 3 366.462 -0.469 20 0 FBADHN O=C(NCc1ccc(CN2CCOCC2)cc1)C(=O)N1CCCNCC1 ZINC000418918077 484686745 /nfs/dbraw/zinc/68/67/45/484686745.db2.gz VGMOJFFDWWTJEB-UHFFFAOYSA-N 0 3 360.458 -0.043 20 0 FBADHN NCCNC(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000418922139 484688554 /nfs/dbraw/zinc/68/85/54/484688554.db2.gz DLIQGWZHKYHKPM-UHFFFAOYSA-N 0 3 357.208 -0.031 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000418923830 484688011 /nfs/dbraw/zinc/68/80/11/484688011.db2.gz OKDORIHKWJYYCV-OWCLPIDISA-N 0 3 352.479 -0.188 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000418923831 484688874 /nfs/dbraw/zinc/68/88/74/484688874.db2.gz OKDORIHKWJYYCV-XHSDSOJGSA-N 0 3 352.479 -0.188 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000418926002 484688986 /nfs/dbraw/zinc/68/89/86/484688986.db2.gz QZYIPOQRWIZKKX-KFWWJZLASA-N 0 3 370.494 -0.311 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000418926003 484688107 /nfs/dbraw/zinc/68/81/07/484688107.db2.gz QZYIPOQRWIZKKX-RBSFLKMASA-N 0 3 370.494 -0.311 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000418926004 484689194 /nfs/dbraw/zinc/68/91/94/484689194.db2.gz QZYIPOQRWIZKKX-RRFJBIMHSA-N 0 3 370.494 -0.311 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000418926005 484688041 /nfs/dbraw/zinc/68/80/41/484688041.db2.gz QZYIPOQRWIZKKX-ZNMIVQPWSA-N 0 3 370.494 -0.311 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)[C@@H]1CN ZINC000418931993 484688433 /nfs/dbraw/zinc/68/84/33/484688433.db2.gz FPNOMKXSVHYDFO-GXTWGEPZSA-N 0 3 374.507 -0.592 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)[C@H]1CN ZINC000418931995 484688927 /nfs/dbraw/zinc/68/89/27/484688927.db2.gz FPNOMKXSVHYDFO-JSGCOSHPSA-N 0 3 374.507 -0.592 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)[C@H]1CN ZINC000418931997 484688220 /nfs/dbraw/zinc/68/82/20/484688220.db2.gz FPNOMKXSVHYDFO-OCCSQVGLSA-N 0 3 374.507 -0.592 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)[C@@H]1CN ZINC000418931999 484688273 /nfs/dbraw/zinc/68/82/73/484688273.db2.gz FPNOMKXSVHYDFO-TZMCWYRMSA-N 0 3 374.507 -0.592 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418932893 483421596 /nfs/dbraw/zinc/42/15/96/483421596.db2.gz HZWCAXWDSJKWAB-CABCVRRESA-N 0 3 367.494 -0.744 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418932895 483420817 /nfs/dbraw/zinc/42/08/17/483420817.db2.gz HZWCAXWDSJKWAB-GJZGRUSLSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418932896 483421497 /nfs/dbraw/zinc/42/14/97/483421497.db2.gz HZWCAXWDSJKWAB-HUUCEWRRSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418932898 483421198 /nfs/dbraw/zinc/42/11/98/483421198.db2.gz HZWCAXWDSJKWAB-LSDHHAIUSA-N 0 3 367.494 -0.744 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418933196 484688399 /nfs/dbraw/zinc/68/83/99/484688399.db2.gz HDSMNLOKOMMAOL-CYBMUJFWSA-N 0 3 360.480 -0.838 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418933198 484688082 /nfs/dbraw/zinc/68/80/82/484688082.db2.gz HDSMNLOKOMMAOL-ZDUSSCGKSA-N 0 3 360.480 -0.838 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418935557 484689215 /nfs/dbraw/zinc/68/92/15/484689215.db2.gz JQTHDPNJJJCRPF-UHFFFAOYSA-N 0 3 362.199 -0.016 20 0 FBADHN CN(CCCNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccccc1F ZINC000418936271 484690232 /nfs/dbraw/zinc/69/02/32/484690232.db2.gz NECVZPQUSWPVGK-CYBMUJFWSA-N 0 3 352.410 -0.127 20 0 FBADHN CN(CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccccc1F ZINC000418936273 484689574 /nfs/dbraw/zinc/68/95/74/484689574.db2.gz NECVZPQUSWPVGK-ZDUSSCGKSA-N 0 3 352.410 -0.127 20 0 FBADHN CNS(=O)(=O)CCNC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418936362 484689944 /nfs/dbraw/zinc/68/99/44/484689944.db2.gz DSOGFDNHSQETAT-AWEZNQCLSA-N 0 3 370.475 -0.409 20 0 FBADHN CNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418936372 484690069 /nfs/dbraw/zinc/69/00/69/484690069.db2.gz DSOGFDNHSQETAT-CQSZACIVSA-N 0 3 370.475 -0.409 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N(CCN)CCO)c1ccc2c(c1)OCCO2 ZINC000418939449 484690014 /nfs/dbraw/zinc/69/00/14/484690014.db2.gz QWUMSSZDFKUBNI-CYBMUJFWSA-N 0 3 351.403 -0.195 20 0 FBADHN CC[C@H](NC(=O)C(=O)N(CCN)CCO)c1ccc2c(c1)OCCO2 ZINC000418939450 484690402 /nfs/dbraw/zinc/69/04/02/484690402.db2.gz QWUMSSZDFKUBNI-ZDUSSCGKSA-N 0 3 351.403 -0.195 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418940473 484690299 /nfs/dbraw/zinc/69/02/99/484690299.db2.gz SVQSJUVKESPANF-CYBMUJFWSA-N 0 3 362.496 -0.688 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418940474 484690339 /nfs/dbraw/zinc/69/03/39/484690339.db2.gz SVQSJUVKESPANF-ZDUSSCGKSA-N 0 3 362.496 -0.688 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1)C1CC1 ZINC000418941472 484689893 /nfs/dbraw/zinc/68/98/93/484689893.db2.gz ICWUMSCHLHDQCN-AWEZNQCLSA-N 0 3 350.394 -0.085 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1)C1CC1 ZINC000418941473 484690201 /nfs/dbraw/zinc/69/02/01/484690201.db2.gz ICWUMSCHLHDQCN-CQSZACIVSA-N 0 3 350.394 -0.085 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C1CCCC1 ZINC000418943264 484689768 /nfs/dbraw/zinc/68/97/68/484689768.db2.gz ZLQFACCPXGFXAE-AWEZNQCLSA-N 0 3 374.507 -0.544 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C1CCCC1 ZINC000418943265 484690381 /nfs/dbraw/zinc/69/03/81/484690381.db2.gz ZLQFACCPXGFXAE-CQSZACIVSA-N 0 3 374.507 -0.544 20 0 FBADHN CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccco1 ZINC000418945562 484690363 /nfs/dbraw/zinc/69/03/63/484690363.db2.gz PXQZNNUEVBHZMO-KBPBESRZSA-N 0 3 352.435 -0.117 20 0 FBADHN CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccco1 ZINC000418945563 484690556 /nfs/dbraw/zinc/69/05/56/484690556.db2.gz PXQZNNUEVBHZMO-KGLIPLIRSA-N 0 3 352.435 -0.117 20 0 FBADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccco1 ZINC000418945564 484690430 /nfs/dbraw/zinc/69/04/30/484690430.db2.gz PXQZNNUEVBHZMO-UONOGXRCSA-N 0 3 352.435 -0.117 20 0 FBADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccco1 ZINC000418945565 484690259 /nfs/dbraw/zinc/69/02/59/484690259.db2.gz PXQZNNUEVBHZMO-ZIAGYGMSSA-N 0 3 352.435 -0.117 20 0 FBADHN COCCNCCNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000418945949 484690326 /nfs/dbraw/zinc/69/03/26/484690326.db2.gz QFXBZEMRIPXZSJ-UHFFFAOYSA-N 0 3 354.476 -0.425 20 0 FBADHN O=C(NCCCNC(=O)c1ccc(F)cc1)C(=O)N1CCCNCC1 ZINC000418946179 484690632 /nfs/dbraw/zinc/69/06/32/484690632.db2.gz MPIJOBRCBIPOPD-UHFFFAOYSA-N 0 3 350.394 -0.116 20 0 FBADHN O=C(NCCN1CCc2sccc2C1)C(=O)NC[C@H]1CNCCO1 ZINC000418946929 484692984 /nfs/dbraw/zinc/69/29/84/484692984.db2.gz RVUDEKXQHMGHPI-CYBMUJFWSA-N 0 3 352.460 -0.673 20 0 FBADHN O=C(NCCN1CCc2sccc2C1)C(=O)NC[C@@H]1CNCCO1 ZINC000418946930 484693612 /nfs/dbraw/zinc/69/36/12/484693612.db2.gz RVUDEKXQHMGHPI-ZDUSSCGKSA-N 0 3 352.460 -0.673 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000418948178 484693028 /nfs/dbraw/zinc/69/30/28/484693028.db2.gz MZSXGKUDZAWRBP-KRWDZBQOSA-N 0 3 362.474 -0.063 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000418948179 484693450 /nfs/dbraw/zinc/69/34/50/484693450.db2.gz MZSXGKUDZAWRBP-QGZVFWFLSA-N 0 3 362.474 -0.063 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@H]1CN ZINC000418949025 484692703 /nfs/dbraw/zinc/69/27/03/484692703.db2.gz UOOCDNDTDOIXRA-DOMZBBRYSA-N 0 3 362.430 -0.247 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@@H]1CN ZINC000418949032 484693061 /nfs/dbraw/zinc/69/30/61/484693061.db2.gz UOOCDNDTDOIXRA-IUODEOHRSA-N 0 3 362.430 -0.247 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@@H]1CN ZINC000418949033 484693473 /nfs/dbraw/zinc/69/34/73/484693473.db2.gz UOOCDNDTDOIXRA-SWLSCSKDSA-N 0 3 362.430 -0.247 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@H]1CN ZINC000418949034 484692592 /nfs/dbraw/zinc/69/25/92/484692592.db2.gz UOOCDNDTDOIXRA-WFASDCNBSA-N 0 3 362.430 -0.247 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000418949180 484692925 /nfs/dbraw/zinc/69/29/25/484692925.db2.gz RJLDHWYARMNWDQ-CABCVRRESA-N 0 3 353.394 -0.058 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000418949184 484693574 /nfs/dbraw/zinc/69/35/74/484693574.db2.gz RJLDHWYARMNWDQ-GJZGRUSLSA-N 0 3 353.394 -0.058 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000418949185 484693119 /nfs/dbraw/zinc/69/31/19/484693119.db2.gz RJLDHWYARMNWDQ-HUUCEWRRSA-N 0 3 353.394 -0.058 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000418949187 484693822 /nfs/dbraw/zinc/69/38/22/484693822.db2.gz RJLDHWYARMNWDQ-LSDHHAIUSA-N 0 3 353.394 -0.058 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCNC(C)(C)C2)ccn1 ZINC000418949355 484693493 /nfs/dbraw/zinc/69/34/93/484693493.db2.gz FAXFOWCGMSXCGU-UHFFFAOYSA-N 0 3 363.462 -0.151 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@H](C)N1 ZINC000418953989 484693660 /nfs/dbraw/zinc/69/36/60/484693660.db2.gz MVZKXOTWMOGLTP-KBPBESRZSA-N 0 3 363.462 -0.153 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@H](C)N1 ZINC000418953990 484693809 /nfs/dbraw/zinc/69/38/09/484693809.db2.gz MVZKXOTWMOGLTP-OKILXGFUSA-N 0 3 363.462 -0.153 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@@H](C)N1 ZINC000418953991 484692963 /nfs/dbraw/zinc/69/29/63/484692963.db2.gz MVZKXOTWMOGLTP-ZIAGYGMSSA-N 0 3 363.462 -0.153 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418956118 484693400 /nfs/dbraw/zinc/69/34/00/484693400.db2.gz VONQKXISWCVMIN-UHFFFAOYSA-N 0 3 374.235 -0.276 20 0 FBADHN O=C(NCCCNC(=O)c1cccc(F)c1)C(=O)N1CCCNCC1 ZINC000418957820 484695100 /nfs/dbraw/zinc/69/51/00/484695100.db2.gz DZKIHAOUGMXBEW-UHFFFAOYSA-N 0 3 350.394 -0.116 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H](C)CN1 ZINC000418958110 484695304 /nfs/dbraw/zinc/69/53/04/484695304.db2.gz WNFIBYQYCAWGPS-KBPBESRZSA-N 0 3 363.462 -0.153 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H](C)CN1 ZINC000418958111 484694837 /nfs/dbraw/zinc/69/48/37/484694837.db2.gz WNFIBYQYCAWGPS-KGLIPLIRSA-N 0 3 363.462 -0.153 20 0 FBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418958112 484694738 /nfs/dbraw/zinc/69/47/38/484694738.db2.gz WNFIBYQYCAWGPS-UONOGXRCSA-N 0 3 363.462 -0.153 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[C@H](C)CN1 ZINC000418958113 484695251 /nfs/dbraw/zinc/69/52/51/484695251.db2.gz WNFIBYQYCAWGPS-ZIAGYGMSSA-N 0 3 363.462 -0.153 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000418958839 484694971 /nfs/dbraw/zinc/69/49/71/484694971.db2.gz ZGKBOXGNLRVWDE-INIZCTEOSA-N 0 3 363.414 -0.195 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000418958840 484695215 /nfs/dbraw/zinc/69/52/15/484695215.db2.gz ZGKBOXGNLRVWDE-MRXNPFEDSA-N 0 3 363.414 -0.195 20 0 FBADHN COc1cc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN)C2)cc(OC)c1 ZINC000418960811 484695174 /nfs/dbraw/zinc/69/51/74/484695174.db2.gz JELSSOMVCLXCFX-GXTWGEPZSA-N 0 3 364.446 -0.142 20 0 FBADHN COc1cc(CN2CC[C@H](NC(=O)C(=O)N[C@@H](C)CN)C2)cc(OC)c1 ZINC000418960820 484695483 /nfs/dbraw/zinc/69/54/83/484695483.db2.gz JELSSOMVCLXCFX-JSGCOSHPSA-N 0 3 364.446 -0.142 20 0 FBADHN COc1cc(CN2CC[C@H](NC(=O)C(=O)N[C@H](C)CN)C2)cc(OC)c1 ZINC000418960827 484695089 /nfs/dbraw/zinc/69/50/89/484695089.db2.gz JELSSOMVCLXCFX-OCCSQVGLSA-N 0 3 364.446 -0.142 20 0 FBADHN COc1cc(CN2CC[C@@H](NC(=O)C(=O)N[C@H](C)CN)C2)cc(OC)c1 ZINC000418960828 484694646 /nfs/dbraw/zinc/69/46/46/484694646.db2.gz JELSSOMVCLXCFX-TZMCWYRMSA-N 0 3 364.446 -0.142 20 0 FBADHN COc1cc(CN2CC[C@@H](NC(=O)C(=O)NCCN)C2)cc(OC)c1 ZINC000418961299 484694314 /nfs/dbraw/zinc/69/43/14/484694314.db2.gz JNICZLHHONJSQH-CYBMUJFWSA-N 0 3 350.419 -0.531 20 0 FBADHN COc1cc(CN2CC[C@H](NC(=O)C(=O)NCCN)C2)cc(OC)c1 ZINC000418961300 484694439 /nfs/dbraw/zinc/69/44/39/484694439.db2.gz JNICZLHHONJSQH-ZDUSSCGKSA-N 0 3 350.419 -0.531 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000418961407 484694463 /nfs/dbraw/zinc/69/44/63/484694463.db2.gz JYOJFYDMXOIQQW-GHMZBOCLSA-N 0 3 364.368 -0.004 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000418961408 484694872 /nfs/dbraw/zinc/69/48/72/484694872.db2.gz JYOJFYDMXOIQQW-MNOVXSKESA-N 0 3 364.368 -0.004 20 0 FBADHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000418961840 484694669 /nfs/dbraw/zinc/69/46/69/484694669.db2.gz BUIAHQXMDGWHNQ-ABAIWWIYSA-N 0 3 353.394 -0.014 20 0 FBADHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000418961841 484695232 /nfs/dbraw/zinc/69/52/32/484695232.db2.gz BUIAHQXMDGWHNQ-IAQYHMDHSA-N 0 3 353.394 -0.014 20 0 FBADHN COc1cc(F)cc(C[C@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000418961842 484695051 /nfs/dbraw/zinc/69/50/51/484695051.db2.gz BUIAHQXMDGWHNQ-NHYWBVRUSA-N 0 3 353.394 -0.014 20 0 FBADHN COc1cc(F)cc(C[C@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000418961843 484695320 /nfs/dbraw/zinc/69/53/20/484695320.db2.gz BUIAHQXMDGWHNQ-XHDPSFHLSA-N 0 3 353.394 -0.014 20 0 FBADHN Cc1cc(C)n(-c2ccccc2CNC(=O)C(=O)N(CCN)CCO)n1 ZINC000418964557 484694885 /nfs/dbraw/zinc/69/48/85/484694885.db2.gz JSGWXGKMZKZSBR-UHFFFAOYSA-N 0 3 359.430 -0.115 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1)C1CC1 ZINC000418964649 484694811 /nfs/dbraw/zinc/69/48/11/484694811.db2.gz NLDKZINSYXLZEF-AWEZNQCLSA-N 0 3 350.394 -0.085 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1)C1CC1 ZINC000418964650 484694586 /nfs/dbraw/zinc/69/45/86/484694586.db2.gz NLDKZINSYXLZEF-CQSZACIVSA-N 0 3 350.394 -0.085 20 0 FBADHN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CCCNCC1 ZINC000418967181 484696306 /nfs/dbraw/zinc/69/63/06/484696306.db2.gz RUIXOIVRKQXJAD-JTQLQIEISA-N 0 3 350.341 -0.522 20 0 FBADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CCCNCC1 ZINC000418967187 484696215 /nfs/dbraw/zinc/69/62/15/484696215.db2.gz RUIXOIVRKQXJAD-SNVBAGLBSA-N 0 3 350.341 -0.522 20 0 FBADHN COc1cc(CN2CC[C@H](NC(=O)C(=O)N(C)CCN)C2)cc(OC)c1 ZINC000418967549 484696151 /nfs/dbraw/zinc/69/61/51/484696151.db2.gz RXCREKFSQXZNKH-AWEZNQCLSA-N 0 3 364.446 -0.189 20 0 FBADHN COc1cc(CN2CC[C@@H](NC(=O)C(=O)N(C)CCN)C2)cc(OC)c1 ZINC000418967552 484696425 /nfs/dbraw/zinc/69/64/25/484696425.db2.gz RXCREKFSQXZNKH-CQSZACIVSA-N 0 3 364.446 -0.189 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]2CN)c1 ZINC000418973798 484696665 /nfs/dbraw/zinc/69/66/65/484696665.db2.gz FABLAHBTJGRQCA-CYBMUJFWSA-N 0 3 368.459 -0.449 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]2CN)c1 ZINC000418973799 484696746 /nfs/dbraw/zinc/69/67/46/484696746.db2.gz FABLAHBTJGRQCA-ZDUSSCGKSA-N 0 3 368.459 -0.449 20 0 FBADHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)N(CCN)CCO ZINC000418986985 484693836 /nfs/dbraw/zinc/69/38/36/484693836.db2.gz PLOACBWUPRVMMZ-UHFFFAOYSA-N 0 3 359.430 -0.115 20 0 FBADHN C[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCC(=O)N1 ZINC000418987605 484693217 /nfs/dbraw/zinc/69/32/17/484693217.db2.gz HTTDGGCLVTULHY-IYOUNJFTSA-N 0 3 362.405 -0.136 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCC(=O)N1 ZINC000418987606 484693692 /nfs/dbraw/zinc/69/36/92/484693692.db2.gz HTTDGGCLVTULHY-PMUMKWKESA-N 0 3 362.405 -0.136 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418998125 484702505 /nfs/dbraw/zinc/70/25/05/484702505.db2.gz VHEGPQMBNPJOME-UHFFFAOYSA-N 0 3 358.236 -0.113 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000418998942 484702183 /nfs/dbraw/zinc/70/21/83/484702183.db2.gz MTTJZAREVXSABT-UHFFFAOYSA-N 0 3 371.821 -0.103 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCC(=O)N1 ZINC000418999256 484702124 /nfs/dbraw/zinc/70/21/24/484702124.db2.gz WSVGQLOKESOSMO-WPKBUWHJSA-N 0 3 362.405 -0.136 20 0 FBADHN C[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCC(=O)N1 ZINC000418999257 484702597 /nfs/dbraw/zinc/70/25/97/484702597.db2.gz WSVGQLOKESOSMO-WRSAYESZSA-N 0 3 362.405 -0.136 20 0 FBADHN CCOc1cc2c(cc1CNC(=O)C(=O)N(CCN)CCO)O[C@H](C)C2 ZINC000419000408 484702908 /nfs/dbraw/zinc/70/29/08/484702908.db2.gz RIGUEYSFMQQJRV-GFCCVEGCSA-N 0 3 365.430 -0.196 20 0 FBADHN CCOc1cc2c(cc1CNC(=O)C(=O)N(CCN)CCO)O[C@@H](C)C2 ZINC000419000410 484702314 /nfs/dbraw/zinc/70/23/14/484702314.db2.gz RIGUEYSFMQQJRV-LBPRGKRZSA-N 0 3 365.430 -0.196 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCOC[C@H]1CCCO1 ZINC000419003255 484702422 /nfs/dbraw/zinc/70/24/22/484702422.db2.gz CMZVCSOENYTGPD-BFHYXJOUSA-N 0 3 357.451 -0.083 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000419003257 484702821 /nfs/dbraw/zinc/70/28/21/484702821.db2.gz CMZVCSOENYTGPD-IHRRRGAJSA-N 0 3 357.451 -0.083 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000419003258 484702984 /nfs/dbraw/zinc/70/29/84/484702984.db2.gz CMZVCSOENYTGPD-MELADBBJSA-N 0 3 357.451 -0.083 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCOC[C@H]1CCCO1 ZINC000419003259 484702253 /nfs/dbraw/zinc/70/22/53/484702253.db2.gz CMZVCSOENYTGPD-MJBXVCDLSA-N 0 3 357.451 -0.083 20 0 FBADHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)N(CCN)CCO ZINC000419005090 484702264 /nfs/dbraw/zinc/70/22/64/484702264.db2.gz FRVIGPHOWBIGIT-UHFFFAOYSA-N 0 3 373.457 -0.056 20 0 FBADHN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C(=O)N1CCCNCC1 ZINC000419010774 484703547 /nfs/dbraw/zinc/70/35/47/484703547.db2.gz QUQWELJGXNTCOE-KRWDZBQOSA-N 0 3 360.458 -0.002 20 0 FBADHN O=C(N[C@H](CN1CCOCC1)c1ccccc1)C(=O)N1CCCNCC1 ZINC000419010775 484703810 /nfs/dbraw/zinc/70/38/10/484703810.db2.gz QUQWELJGXNTCOE-QGZVFWFLSA-N 0 3 360.458 -0.002 20 0 FBADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419011338 484696233 /nfs/dbraw/zinc/69/62/33/484696233.db2.gz APSWKKGNLZFBDZ-HNNXBMFYSA-N 0 3 351.403 -0.315 20 0 FBADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419011339 484696013 /nfs/dbraw/zinc/69/60/13/484696013.db2.gz APSWKKGNLZFBDZ-OAHLLOKOSA-N 0 3 351.403 -0.315 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCC(C)(C)C2(O)CCOCC2)n1 ZINC000419015638 484698318 /nfs/dbraw/zinc/69/83/18/484698318.db2.gz LFNZZUQJQOOGQB-UHFFFAOYSA-N 0 3 368.482 -0.659 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419015760 484698091 /nfs/dbraw/zinc/69/80/91/484698091.db2.gz DYVRJMUBNHBKAE-GFCCVEGCSA-N 0 3 358.398 -0.261 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419015761 484698198 /nfs/dbraw/zinc/69/81/98/484698198.db2.gz DYVRJMUBNHBKAE-LBPRGKRZSA-N 0 3 358.398 -0.261 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419017379 484697747 /nfs/dbraw/zinc/69/77/47/484697747.db2.gz GBTMILSEWSVTSD-PBHICJAKSA-N 0 3 372.535 -0.200 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419017382 484697537 /nfs/dbraw/zinc/69/75/37/484697537.db2.gz GBTMILSEWSVTSD-RHSMWYFYSA-N 0 3 372.535 -0.200 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419017384 484697417 /nfs/dbraw/zinc/69/74/17/484697417.db2.gz GBTMILSEWSVTSD-WMLDXEAASA-N 0 3 372.535 -0.200 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419017385 484698216 /nfs/dbraw/zinc/69/82/16/484698216.db2.gz GBTMILSEWSVTSD-YOEHRIQHSA-N 0 3 372.535 -0.200 20 0 FBADHN Cc1nccn1-c1ccc(CNC(=O)C(=O)N(CCN)CCO)cc1F ZINC000419017599 484698135 /nfs/dbraw/zinc/69/81/35/484698135.db2.gz BCTSXCTUUKXOJW-UHFFFAOYSA-N 0 3 363.393 -0.284 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419018071 484698479 /nfs/dbraw/zinc/69/84/79/484698479.db2.gz HBDGXRPDVIEJSL-PBHICJAKSA-N 0 3 372.535 -0.056 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419018075 484697566 /nfs/dbraw/zinc/69/75/66/484697566.db2.gz HBDGXRPDVIEJSL-RHSMWYFYSA-N 0 3 372.535 -0.056 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419018076 484697893 /nfs/dbraw/zinc/69/78/93/484697893.db2.gz HBDGXRPDVIEJSL-WMLDXEAASA-N 0 3 372.535 -0.056 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419018079 484698234 /nfs/dbraw/zinc/69/82/34/484698234.db2.gz HBDGXRPDVIEJSL-YOEHRIQHSA-N 0 3 372.535 -0.056 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419019184 484697698 /nfs/dbraw/zinc/69/76/98/484697698.db2.gz IUESUBPUFLCIEF-GFCCVEGCSA-N 0 3 360.414 -0.112 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419019185 484698068 /nfs/dbraw/zinc/69/80/68/484698068.db2.gz IUESUBPUFLCIEF-LBPRGKRZSA-N 0 3 360.414 -0.112 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)[C@H]1CN ZINC000419021941 484697710 /nfs/dbraw/zinc/69/77/10/484697710.db2.gz LBYBNCQZSJKANU-DOMZBBRYSA-N 0 3 372.425 -0.015 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)[C@@H]1CN ZINC000419021945 484697313 /nfs/dbraw/zinc/69/73/13/484697313.db2.gz LBYBNCQZSJKANU-IUODEOHRSA-N 0 3 372.425 -0.015 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)[C@@H]1CN ZINC000419021950 484697756 /nfs/dbraw/zinc/69/77/56/484697756.db2.gz LBYBNCQZSJKANU-SWLSCSKDSA-N 0 3 372.425 -0.015 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)[C@H]1CN ZINC000419021954 484697840 /nfs/dbraw/zinc/69/78/40/484697840.db2.gz LBYBNCQZSJKANU-WFASDCNBSA-N 0 3 372.425 -0.015 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419026287 484699590 /nfs/dbraw/zinc/69/95/90/484699590.db2.gz BMQGCFDMVKIRLR-NXEZZACHSA-N 0 3 352.357 -0.245 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419026288 484699139 /nfs/dbraw/zinc/69/91/39/484699139.db2.gz BMQGCFDMVKIRLR-UWVGGRQHSA-N 0 3 352.357 -0.245 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419026330 484699544 /nfs/dbraw/zinc/69/95/44/484699544.db2.gz BMQGCFDMVKIRLR-VHSXEESVSA-N 0 3 352.357 -0.245 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419026331 484699887 /nfs/dbraw/zinc/69/98/87/484699887.db2.gz BMQGCFDMVKIRLR-ZJUUUORDSA-N 0 3 352.357 -0.245 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419026556 484698989 /nfs/dbraw/zinc/69/89/89/484698989.db2.gz UNAMHRZGIMLWPQ-PBHICJAKSA-N 0 3 370.519 -0.350 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419026568 484699836 /nfs/dbraw/zinc/69/98/36/484699836.db2.gz UNAMHRZGIMLWPQ-RHSMWYFYSA-N 0 3 370.519 -0.350 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCCC1 ZINC000419026662 484699871 /nfs/dbraw/zinc/69/98/71/484699871.db2.gz BRBAQSQIBICQAC-GHMZBOCLSA-N 0 3 364.368 -0.101 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCCC1 ZINC000419026663 484699597 /nfs/dbraw/zinc/69/95/97/484699597.db2.gz BRBAQSQIBICQAC-MNOVXSKESA-N 0 3 364.368 -0.101 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCCC1 ZINC000419026664 484699672 /nfs/dbraw/zinc/69/96/72/484699672.db2.gz BRBAQSQIBICQAC-QWRGUYRKSA-N 0 3 364.368 -0.101 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCCC1 ZINC000419026665 484699018 /nfs/dbraw/zinc/69/90/18/484699018.db2.gz BRBAQSQIBICQAC-WDEREUQCSA-N 0 3 364.368 -0.101 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419027573 484699328 /nfs/dbraw/zinc/69/93/28/484699328.db2.gz CQGYQBKZNSTDEF-NXEZZACHSA-N 0 3 352.357 -0.101 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419027575 484699505 /nfs/dbraw/zinc/69/95/05/484699505.db2.gz CQGYQBKZNSTDEF-UWVGGRQHSA-N 0 3 352.357 -0.101 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419027577 484699002 /nfs/dbraw/zinc/69/90/02/484699002.db2.gz CQGYQBKZNSTDEF-VHSXEESVSA-N 0 3 352.357 -0.101 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419027579 484699574 /nfs/dbraw/zinc/69/95/74/484699574.db2.gz CQGYQBKZNSTDEF-ZJUUUORDSA-N 0 3 352.357 -0.101 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)[C@@H]1CN ZINC000419028003 484699698 /nfs/dbraw/zinc/69/96/98/484699698.db2.gz DFGIHNYUICTVAN-GMTAPVOTSA-N 0 3 364.368 -0.148 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)[C@H]1CN ZINC000419028004 484699361 /nfs/dbraw/zinc/69/93/61/484699361.db2.gz DFGIHNYUICTVAN-MXWKQRLJSA-N 0 3 364.368 -0.148 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)[C@@H]1CN ZINC000419028005 484699646 /nfs/dbraw/zinc/69/96/46/484699646.db2.gz DFGIHNYUICTVAN-OUAUKWLOSA-N 0 3 364.368 -0.148 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)[C@H]1CN ZINC000419028006 484699229 /nfs/dbraw/zinc/69/92/29/484699229.db2.gz DFGIHNYUICTVAN-VWYCJHECSA-N 0 3 364.368 -0.148 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419028746 484700575 /nfs/dbraw/zinc/70/05/75/484700575.db2.gz FAPZJMXDDCHCAI-CYBMUJFWSA-N 0 3 366.393 -0.601 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419028747 484700823 /nfs/dbraw/zinc/70/08/23/484700823.db2.gz FAPZJMXDDCHCAI-ZDUSSCGKSA-N 0 3 366.393 -0.601 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000419030972 484700918 /nfs/dbraw/zinc/70/09/18/484700918.db2.gz ICGRQVJWKXAFIR-UHFFFAOYSA-N 0 3 362.430 -0.748 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419032312 484701291 /nfs/dbraw/zinc/70/12/91/484701291.db2.gz AZYQESBJOFRGJN-UHFFFAOYSA-N 0 3 362.199 -0.016 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000419032470 484700873 /nfs/dbraw/zinc/70/08/73/484700873.db2.gz WSADEMHCNWONRX-UHFFFAOYSA-N 0 3 363.393 -0.020 20 0 FBADHN CN1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCC1=O ZINC000419033270 484701042 /nfs/dbraw/zinc/70/10/42/484701042.db2.gz LQZHTISQJJCNKG-CORIIIEPSA-N 0 3 362.405 -0.184 20 0 FBADHN CN1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCC1=O ZINC000419033271 484701265 /nfs/dbraw/zinc/70/12/65/484701265.db2.gz LQZHTISQJJCNKG-OSAQELSMSA-N 0 3 362.405 -0.184 20 0 FBADHN CN1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCC1=O ZINC000419034313 484701387 /nfs/dbraw/zinc/70/13/87/484701387.db2.gz NCXNSUIDMTUICK-QLFBSQMISA-N 0 3 362.405 -0.184 20 0 FBADHN CN1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCC1=O ZINC000419034314 484700467 /nfs/dbraw/zinc/70/04/67/484700467.db2.gz NCXNSUIDMTUICK-SOUVJXGZSA-N 0 3 362.405 -0.184 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000419037768 484702858 /nfs/dbraw/zinc/70/28/58/484702858.db2.gz SDSUSPHWBDLVND-IGQOVBAYSA-N 0 3 368.478 -0.021 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000419037771 484702710 /nfs/dbraw/zinc/70/27/10/484702710.db2.gz SDSUSPHWBDLVND-REWJHTLYSA-N 0 3 368.478 -0.021 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000419037773 484702156 /nfs/dbraw/zinc/70/21/56/484702156.db2.gz SDSUSPHWBDLVND-RFQIPJPRSA-N 0 3 368.478 -0.021 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000419037775 484702340 /nfs/dbraw/zinc/70/23/40/484702340.db2.gz SDSUSPHWBDLVND-XDQVBPFNSA-N 0 3 368.478 -0.021 20 0 FBADHN CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419037966 484702680 /nfs/dbraw/zinc/70/26/80/484702680.db2.gz RPTIOMGLIINXGO-CHWSQXEVSA-N 0 3 356.467 -0.020 20 0 FBADHN CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419037967 484702967 /nfs/dbraw/zinc/70/29/67/484702967.db2.gz RPTIOMGLIINXGO-OLZOCXBDSA-N 0 3 356.467 -0.020 20 0 FBADHN CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419037968 484702931 /nfs/dbraw/zinc/70/29/31/484702931.db2.gz RPTIOMGLIINXGO-QWHCGFSZSA-N 0 3 356.467 -0.020 20 0 FBADHN CCN(CC)C(=O)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419037969 484702555 /nfs/dbraw/zinc/70/25/55/484702555.db2.gz RPTIOMGLIINXGO-STQMWFEESA-N 0 3 356.467 -0.020 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)NCC(=O)N(C)C2CCCCC2)[C@@H](CN)C1 ZINC000419038339 484703065 /nfs/dbraw/zinc/70/30/65/484703065.db2.gz FMMDXMSYJHAOEU-CABCVRRESA-N 0 3 368.478 -0.142 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)NCC(=O)N(C)C2CCCCC2)[C@H](CN)C1 ZINC000419038340 484702446 /nfs/dbraw/zinc/70/24/46/484702446.db2.gz FMMDXMSYJHAOEU-GJZGRUSLSA-N 0 3 368.478 -0.142 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)NCC(=O)N(C)C2CCCCC2)[C@@H](CN)C1 ZINC000419038341 484702693 /nfs/dbraw/zinc/70/26/93/484702693.db2.gz FMMDXMSYJHAOEU-HUUCEWRRSA-N 0 3 368.478 -0.142 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)NCC(=O)N(C)C2CCCCC2)[C@H](CN)C1 ZINC000419038342 484702657 /nfs/dbraw/zinc/70/26/57/484702657.db2.gz FMMDXMSYJHAOEU-LSDHHAIUSA-N 0 3 368.478 -0.142 20 0 FBADHN O=C(CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)N1CCc2ccccc21 ZINC000419039262 484703556 /nfs/dbraw/zinc/70/35/56/484703556.db2.gz VRLOGTAJZGFGRK-HNNXBMFYSA-N 0 3 374.441 -0.423 20 0 FBADHN O=C(CCCNC(=O)C(=O)NC[C@H]1CNCCO1)N1CCc2ccccc21 ZINC000419039264 484704210 /nfs/dbraw/zinc/70/42/10/484704210.db2.gz VRLOGTAJZGFGRK-OAHLLOKOSA-N 0 3 374.441 -0.423 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000419039373 484704195 /nfs/dbraw/zinc/70/41/95/484704195.db2.gz GYQMBTOOVNCGRL-LLVKDONJSA-N 0 3 372.828 -0.046 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000419039374 484704289 /nfs/dbraw/zinc/70/42/89/484704289.db2.gz GYQMBTOOVNCGRL-NSHDSACASA-N 0 3 372.828 -0.046 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419041396 484705074 /nfs/dbraw/zinc/70/50/74/484705074.db2.gz YNMRNLFKTKAXEQ-AAEUAGOBSA-N 0 3 364.377 -0.848 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419041407 484704715 /nfs/dbraw/zinc/70/47/15/484704715.db2.gz YNMRNLFKTKAXEQ-DGCLKSJQSA-N 0 3 364.377 -0.848 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419041409 484705138 /nfs/dbraw/zinc/70/51/38/484705138.db2.gz YNMRNLFKTKAXEQ-WCQYABFASA-N 0 3 364.377 -0.848 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419041412 484705273 /nfs/dbraw/zinc/70/52/73/484705273.db2.gz YNMRNLFKTKAXEQ-YPMHNXCESA-N 0 3 364.377 -0.848 20 0 FBADHN COc1cc(C)c([C@@H](C)NC(=O)C(=O)N(CCN)CCO)cc1OC ZINC000419047449 484704769 /nfs/dbraw/zinc/70/47/69/484704769.db2.gz SNZXAPSUVBYBOG-GFCCVEGCSA-N 0 3 353.419 -0.031 20 0 FBADHN COc1cc(C)c([C@H](C)NC(=O)C(=O)N(CCN)CCO)cc1OC ZINC000419047450 484705184 /nfs/dbraw/zinc/70/51/84/484705184.db2.gz SNZXAPSUVBYBOG-LBPRGKRZSA-N 0 3 353.419 -0.031 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000419047778 484704699 /nfs/dbraw/zinc/70/46/99/484704699.db2.gz ADCQRZJDBDLWLU-BXUZGUMPSA-N 0 3 350.394 -0.152 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000419047779 484704858 /nfs/dbraw/zinc/70/48/58/484704858.db2.gz ADCQRZJDBDLWLU-FZMZJTMJSA-N 0 3 350.394 -0.152 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000419047780 484704894 /nfs/dbraw/zinc/70/48/94/484704894.db2.gz ADCQRZJDBDLWLU-RISCZKNCSA-N 0 3 350.394 -0.152 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000419047781 484704949 /nfs/dbraw/zinc/70/49/49/484704949.db2.gz ADCQRZJDBDLWLU-SMDDNHRTSA-N 0 3 350.394 -0.152 20 0 FBADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@H](CN)C2CC2)C1=O ZINC000419052998 484706086 /nfs/dbraw/zinc/70/60/86/484706086.db2.gz ISAYFAXTWSPSPJ-CHWSQXEVSA-N 0 3 360.414 -0.230 20 0 FBADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CC2)C1=O ZINC000419052999 484706400 /nfs/dbraw/zinc/70/64/00/484706400.db2.gz ISAYFAXTWSPSPJ-OLZOCXBDSA-N 0 3 360.414 -0.230 20 0 FBADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@H](CN)C2CC2)C1=O ZINC000419053000 484705751 /nfs/dbraw/zinc/70/57/51/484705751.db2.gz ISAYFAXTWSPSPJ-QWHCGFSZSA-N 0 3 360.414 -0.230 20 0 FBADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@@H](CN)C2CC2)C1=O ZINC000419053001 484706620 /nfs/dbraw/zinc/70/66/20/484706620.db2.gz ISAYFAXTWSPSPJ-STQMWFEESA-N 0 3 360.414 -0.230 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053141 484705934 /nfs/dbraw/zinc/70/59/34/484705934.db2.gz IWHNZBCSCCHRES-BXKDBHETSA-N 0 3 354.357 -0.008 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053148 484706101 /nfs/dbraw/zinc/70/61/01/484706101.db2.gz IWHNZBCSCCHRES-CABZTGNLSA-N 0 3 354.357 -0.008 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053150 484706247 /nfs/dbraw/zinc/70/62/47/484706247.db2.gz IWHNZBCSCCHRES-JOYOIKCWSA-N 0 3 354.357 -0.008 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053153 484706452 /nfs/dbraw/zinc/70/64/52/484706452.db2.gz IWHNZBCSCCHRES-SKDRFNHKSA-N 0 3 354.357 -0.008 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000419053244 484706691 /nfs/dbraw/zinc/70/66/91/484706691.db2.gz FLWKZDRNLJIVRH-DZGCQCFKSA-N 0 3 350.394 -0.375 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000419053245 484706593 /nfs/dbraw/zinc/70/65/93/484706593.db2.gz FLWKZDRNLJIVRH-HIFRSBDPSA-N 0 3 350.394 -0.375 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000419053246 484705795 /nfs/dbraw/zinc/70/57/95/484705795.db2.gz FLWKZDRNLJIVRH-UKRRQHHQSA-N 0 3 350.394 -0.375 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000419053247 484706204 /nfs/dbraw/zinc/70/62/04/484706204.db2.gz FLWKZDRNLJIVRH-ZFWWWQNUSA-N 0 3 350.394 -0.375 20 0 FBADHN CS(=O)(=O)CC1(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)CCC1 ZINC000419053777 484706067 /nfs/dbraw/zinc/70/60/67/484706067.db2.gz GCWGDPGXBAPQRB-CYBMUJFWSA-N 0 3 359.492 -0.049 20 0 FBADHN CS(=O)(=O)CC1(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CCC1 ZINC000419053780 484706708 /nfs/dbraw/zinc/70/67/08/484706708.db2.gz GCWGDPGXBAPQRB-ZDUSSCGKSA-N 0 3 359.492 -0.049 20 0 FBADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2=O)cc1 ZINC000419054427 484706134 /nfs/dbraw/zinc/70/61/34/484706134.db2.gz KTLOIVISJPWOMI-CVEARBPZSA-N 0 3 374.441 -0.683 20 0 FBADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2=O)cc1 ZINC000419054428 484706474 /nfs/dbraw/zinc/70/64/74/484706474.db2.gz KTLOIVISJPWOMI-HOTGVXAUSA-N 0 3 374.441 -0.683 20 0 FBADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2=O)cc1 ZINC000419054429 484706231 /nfs/dbraw/zinc/70/62/31/484706231.db2.gz KTLOIVISJPWOMI-HZPDHXFCSA-N 0 3 374.441 -0.683 20 0 FBADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2=O)cc1 ZINC000419054430 484706009 /nfs/dbraw/zinc/70/60/09/484706009.db2.gz KTLOIVISJPWOMI-JKSUJKDBSA-N 0 3 374.441 -0.683 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)N2CCCNCC2)N2CCOCC2)o1 ZINC000419055043 484706632 /nfs/dbraw/zinc/70/66/32/484706632.db2.gz AIVGILONIMDBIN-HNNXBMFYSA-N 0 3 364.446 -0.101 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCNCC2)N2CCOCC2)o1 ZINC000419055044 484705873 /nfs/dbraw/zinc/70/58/73/484705873.db2.gz AIVGILONIMDBIN-OAHLLOKOSA-N 0 3 364.446 -0.101 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419056616 484706117 /nfs/dbraw/zinc/70/61/17/484706117.db2.gz LYSDGTPQZVNUCR-AWEZNQCLSA-N 0 3 366.393 -0.601 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419056617 484706495 /nfs/dbraw/zinc/70/64/95/484706495.db2.gz LYSDGTPQZVNUCR-CQSZACIVSA-N 0 3 366.393 -0.601 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419056655 484706575 /nfs/dbraw/zinc/70/65/75/484706575.db2.gz MFOBDYBJVQFRFP-KBPBESRZSA-N 0 3 364.377 -0.848 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419056656 484706148 /nfs/dbraw/zinc/70/61/48/484706148.db2.gz MFOBDYBJVQFRFP-KGLIPLIRSA-N 0 3 364.377 -0.848 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419056657 484706671 /nfs/dbraw/zinc/70/66/71/484706671.db2.gz MFOBDYBJVQFRFP-UONOGXRCSA-N 0 3 364.377 -0.848 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419056658 484705844 /nfs/dbraw/zinc/70/58/44/484705844.db2.gz MFOBDYBJVQFRFP-ZIAGYGMSSA-N 0 3 364.377 -0.848 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000419058407 484706167 /nfs/dbraw/zinc/70/61/67/484706167.db2.gz PQNQYOXTWWXNFE-AWEZNQCLSA-N 0 3 352.410 -0.127 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000419058408 484708000 /nfs/dbraw/zinc/70/80/00/484708000.db2.gz PQNQYOXTWWXNFE-CQSZACIVSA-N 0 3 352.410 -0.127 20 0 FBADHN Cc1ccccc1C1(CNC(=O)C(=O)N(CCN)CCO)CCOCC1 ZINC000419058643 484707112 /nfs/dbraw/zinc/70/71/12/484707112.db2.gz BXVCOECUDWBFOW-UHFFFAOYSA-N 0 3 363.458 -0.061 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)[C@@H]1CN ZINC000419062885 484707813 /nfs/dbraw/zinc/70/78/13/484707813.db2.gz WFICSOGSGDENLK-CHWSQXEVSA-N 0 3 359.492 -0.097 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)[C@H]1CN ZINC000419062887 484707070 /nfs/dbraw/zinc/70/70/70/484707070.db2.gz WFICSOGSGDENLK-OLZOCXBDSA-N 0 3 359.492 -0.097 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)[C@@H]1CN ZINC000419062889 484707886 /nfs/dbraw/zinc/70/78/86/484707886.db2.gz WFICSOGSGDENLK-QWHCGFSZSA-N 0 3 359.492 -0.097 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CCC2)[C@H]1CN ZINC000419062891 484707959 /nfs/dbraw/zinc/70/79/59/484707959.db2.gz WFICSOGSGDENLK-STQMWFEESA-N 0 3 359.492 -0.097 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC1 ZINC000419063206 484707939 /nfs/dbraw/zinc/70/79/39/484707939.db2.gz NLNBNWAHKJKPAU-CABCVRRESA-N 0 3 362.405 -0.104 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC1 ZINC000419063208 484707662 /nfs/dbraw/zinc/70/76/62/484707662.db2.gz NLNBNWAHKJKPAU-GJZGRUSLSA-N 0 3 362.405 -0.104 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC1 ZINC000419063209 484707679 /nfs/dbraw/zinc/70/76/79/484707679.db2.gz NLNBNWAHKJKPAU-HUUCEWRRSA-N 0 3 362.405 -0.104 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC1 ZINC000419063210 484707697 /nfs/dbraw/zinc/70/76/97/484707697.db2.gz NLNBNWAHKJKPAU-LSDHHAIUSA-N 0 3 362.405 -0.104 20 0 FBADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1=O ZINC000419063847 484707567 /nfs/dbraw/zinc/70/75/67/484707567.db2.gz OAWCRHIUOISEBA-CYBMUJFWSA-N 0 3 360.414 -0.261 20 0 FBADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCCNCC2)C1=O ZINC000419063848 484707578 /nfs/dbraw/zinc/70/75/78/484707578.db2.gz OAWCRHIUOISEBA-ZDUSSCGKSA-N 0 3 360.414 -0.261 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000419063918 484707765 /nfs/dbraw/zinc/70/77/65/484707765.db2.gz HWMPXDLIIJRJNF-UHFFFAOYSA-N 0 3 371.821 -0.451 20 0 FBADHN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCCNCC1 ZINC000419067198 484709005 /nfs/dbraw/zinc/70/90/05/484709005.db2.gz RMDUQILWERMXAP-HNNXBMFYSA-N 0 3 362.405 -0.135 20 0 FBADHN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCCNCC1 ZINC000419067200 484709108 /nfs/dbraw/zinc/70/91/08/484709108.db2.gz RMDUQILWERMXAP-OAHLLOKOSA-N 0 3 362.405 -0.135 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419067260 484709310 /nfs/dbraw/zinc/70/93/10/484709310.db2.gz RODWLSWZEQBBLM-CYBMUJFWSA-N 0 3 368.821 -0.659 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419067262 484708533 /nfs/dbraw/zinc/70/85/33/484708533.db2.gz RODWLSWZEQBBLM-ZDUSSCGKSA-N 0 3 368.821 -0.659 20 0 FBADHN NCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419069278 484708510 /nfs/dbraw/zinc/70/85/10/484708510.db2.gz ULOMKSBGNKPSHD-LLVKDONJSA-N 0 3 369.219 -0.255 20 0 FBADHN NCCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419069279 484709214 /nfs/dbraw/zinc/70/92/14/484709214.db2.gz ULOMKSBGNKPSHD-NSHDSACASA-N 0 3 369.219 -0.255 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)N2CCOCC2)o1 ZINC000419071054 484708616 /nfs/dbraw/zinc/70/86/16/484708616.db2.gz IGHWHXPWUMZRDG-GXTWGEPZSA-N 0 3 352.435 -0.117 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)N2CCOCC2)o1 ZINC000419071055 484709075 /nfs/dbraw/zinc/70/90/75/484709075.db2.gz IGHWHXPWUMZRDG-JSGCOSHPSA-N 0 3 352.435 -0.117 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)N2CCOCC2)o1 ZINC000419071056 484709137 /nfs/dbraw/zinc/70/91/37/484709137.db2.gz IGHWHXPWUMZRDG-OCCSQVGLSA-N 0 3 352.435 -0.117 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@H](C)CN)N2CCOCC2)o1 ZINC000419071057 484708704 /nfs/dbraw/zinc/70/87/04/484708704.db2.gz IGHWHXPWUMZRDG-TZMCWYRMSA-N 0 3 352.435 -0.117 20 0 FBADHN O=C(NCCOc1ccc2c(c1)OCO2)C(=O)NC[C@H]1CNCCO1 ZINC000419071573 484709193 /nfs/dbraw/zinc/70/91/93/484709193.db2.gz LMXYGSGFEJUPON-GFCCVEGCSA-N 0 3 351.359 -0.985 20 0 FBADHN O=C(NCCOc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CNCCO1 ZINC000419071584 484709240 /nfs/dbraw/zinc/70/92/40/484709240.db2.gz LMXYGSGFEJUPON-LBPRGKRZSA-N 0 3 351.359 -0.985 20 0 FBADHN C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCNCC3)c2)CCO1 ZINC000419073564 484710861 /nfs/dbraw/zinc/71/08/61/484710861.db2.gz MYHXXMQZTKXVLY-HNNXBMFYSA-N 0 3 360.458 -0.045 20 0 FBADHN C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCNCC3)c2)CCO1 ZINC000419073565 484710658 /nfs/dbraw/zinc/71/06/58/484710658.db2.gz MYHXXMQZTKXVLY-OAHLLOKOSA-N 0 3 360.458 -0.045 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000419082710 484704225 /nfs/dbraw/zinc/70/42/25/484704225.db2.gz UZQVYHQFHZHZRN-CHWSQXEVSA-N 0 3 368.478 -0.020 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000419082711 484703432 /nfs/dbraw/zinc/70/34/32/484703432.db2.gz UZQVYHQFHZHZRN-OLZOCXBDSA-N 0 3 368.478 -0.020 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000419082712 484703654 /nfs/dbraw/zinc/70/36/54/484703654.db2.gz UZQVYHQFHZHZRN-QWHCGFSZSA-N 0 3 368.478 -0.020 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000419082713 484704316 /nfs/dbraw/zinc/70/43/16/484704316.db2.gz UZQVYHQFHZHZRN-STQMWFEESA-N 0 3 368.478 -0.020 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000419083969 484703483 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FBADHN CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419090376 484710353 /nfs/dbraw/zinc/71/03/53/484710353.db2.gz QWUIDZDXSQKVIJ-AEGPPILISA-N 0 3 367.471 -0.121 20 0 FBADHN CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419090378 484710316 /nfs/dbraw/zinc/71/03/16/484710316.db2.gz QWUIDZDXSQKVIJ-VHDGCEQUSA-N 0 3 367.471 -0.121 20 0 FBADHN CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419090381 484710120 /nfs/dbraw/zinc/71/01/20/484710120.db2.gz QWWFYFTYLYILCA-CYBMUJFWSA-N 0 3 355.460 -0.087 20 0 FBADHN CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419090389 484710522 /nfs/dbraw/zinc/71/05/22/484710522.db2.gz QWWFYFTYLYILCA-ZDUSSCGKSA-N 0 3 355.460 -0.087 20 0 FBADHN CC(C)[C@H](N)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000419090554 484709977 /nfs/dbraw/zinc/70/99/77/484709977.db2.gz BXJGSEINPVNIQQ-CYBMUJFWSA-N 0 3 359.423 -0.185 20 0 FBADHN CC(C)[C@@H](N)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000419090555 484710401 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CO[C@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C)cn2)[C@H](CN)C1 ZINC000419095971 484376835 /nfs/dbraw/zinc/37/68/35/484376835.db2.gz LMLTXXOABOQXMY-GJZGRUSLSA-N 0 3 363.462 0.273 20 0 FBADHN NC1(CNC(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CCC1 ZINC000419097979 484711533 /nfs/dbraw/zinc/71/15/33/484711533.db2.gz QRTHZOXXFZMSPB-UHFFFAOYSA-N 0 3 357.407 -0.287 20 0 FBADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H](CN)C3CC3)C2)ncn1 ZINC000419098338 484712043 /nfs/dbraw/zinc/71/20/43/484712043.db2.gz NXKCFAPHJIYBFQ-CABCVRRESA-N 0 3 360.462 -0.023 20 0 FBADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](CN)C3CC3)C2)ncn1 ZINC000419098341 484712008 /nfs/dbraw/zinc/71/20/08/484712008.db2.gz NXKCFAPHJIYBFQ-GJZGRUSLSA-N 0 3 360.462 -0.023 20 0 FBADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H](CN)C3CC3)C2)ncn1 ZINC000419098343 484712216 /nfs/dbraw/zinc/71/22/16/484712216.db2.gz NXKCFAPHJIYBFQ-HUUCEWRRSA-N 0 3 360.462 -0.023 20 0 FBADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H](CN)C3CC3)C2)ncn1 ZINC000419098346 484712148 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FBADHN N[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000419102089 484711720 /nfs/dbraw/zinc/71/17/20/484711720.db2.gz XVRCZJVQZVALMD-LBPRGKRZSA-N 0 3 357.407 -0.335 20 0 FBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N(C)CCN)C2=O)c1 ZINC000419102867 484711752 /nfs/dbraw/zinc/71/17/52/484711752.db2.gz FMJAUHREYLJAGG-AWEZNQCLSA-N 0 3 364.402 -0.658 20 0 FBADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N(C)CCN)C2=O)c1 ZINC000419102873 484711897 /nfs/dbraw/zinc/71/18/97/484711897.db2.gz FMJAUHREYLJAGG-CQSZACIVSA-N 0 3 364.402 -0.658 20 0 FBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)CN)C2=O)c1 ZINC000419102945 484711479 /nfs/dbraw/zinc/71/14/79/484711479.db2.gz FSKYQMNDUJLZAL-HZMBPMFUSA-N 0 3 364.402 -0.611 20 0 FBADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN)C2=O)c1 ZINC000419103330 484711672 /nfs/dbraw/zinc/71/16/72/484711672.db2.gz FSKYQMNDUJLZAL-IINYFYTJSA-N 0 3 364.402 -0.611 20 0 FBADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)CN)C2=O)c1 ZINC000419103331 484711612 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CN(CCN)C(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000419106042 484713742 /nfs/dbraw/zinc/71/37/42/484713742.db2.gz NFIREJDUSFZMQI-UHFFFAOYSA-N 0 3 367.881 -0.005 20 0 FBADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@@H](N)C1 ZINC000419107517 484712957 /nfs/dbraw/zinc/71/29/57/484712957.db2.gz FLOPURQTEDJUGM-CHWSQXEVSA-N 0 3 353.444 -0.085 20 0 FBADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@@H](N)C1 ZINC000419107524 484712938 /nfs/dbraw/zinc/71/29/38/484712938.db2.gz FLOPURQTEDJUGM-OLZOCXBDSA-N 0 3 353.444 -0.085 20 0 FBADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@H](N)C1 ZINC000419107527 484713579 /nfs/dbraw/zinc/71/35/79/484713579.db2.gz FLOPURQTEDJUGM-QWHCGFSZSA-N 0 3 353.444 -0.085 20 0 FBADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@H](N)C1 ZINC000419107531 484712755 /nfs/dbraw/zinc/71/27/55/484712755.db2.gz FLOPURQTEDJUGM-STQMWFEESA-N 0 3 353.444 -0.085 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)N1CCOCC1 ZINC000419109000 484713312 /nfs/dbraw/zinc/71/33/12/484713312.db2.gz AFMOVCSEZBJKSB-ILXRZTDVSA-N 0 3 370.494 -0.311 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)N1CCOCC1 ZINC000419109004 484713418 /nfs/dbraw/zinc/71/34/18/484713418.db2.gz AFMOVCSEZBJKSB-KFWWJZLASA-N 0 3 370.494 -0.311 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCOCC1 ZINC000419109005 484713216 /nfs/dbraw/zinc/71/32/16/484713216.db2.gz AFMOVCSEZBJKSB-KKUMJFAQSA-N 0 3 370.494 -0.311 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1CCOCC1 ZINC000419109009 484713635 /nfs/dbraw/zinc/71/36/35/484713635.db2.gz AFMOVCSEZBJKSB-ZNMIVQPWSA-N 0 3 370.494 -0.311 20 0 FBADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)N1CCOCC1 ZINC000419111113 484713078 /nfs/dbraw/zinc/71/30/78/484713078.db2.gz CPWZREUPCOYAOB-CVEARBPZSA-N 0 3 370.494 -0.656 20 0 FBADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)N1CCOCC1 ZINC000419111114 484713671 /nfs/dbraw/zinc/71/36/71/484713671.db2.gz CPWZREUPCOYAOB-HOTGVXAUSA-N 0 3 370.494 -0.656 20 0 FBADHN CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)N1CCOCC1 ZINC000419111115 484713604 /nfs/dbraw/zinc/71/36/04/484713604.db2.gz CPWZREUPCOYAOB-HZPDHXFCSA-N 0 3 370.494 -0.656 20 0 FBADHN CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)N1CCOCC1 ZINC000419111116 484712912 /nfs/dbraw/zinc/71/29/12/484712912.db2.gz CPWZREUPCOYAOB-JKSUJKDBSA-N 0 3 370.494 -0.656 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(F)c(F)c1 ZINC000419111424 484713533 /nfs/dbraw/zinc/71/35/33/484713533.db2.gz ORAQEOIDPUOPBR-BXUZGUMPSA-N 0 3 357.357 -0.127 20 0 FBADHN COC[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(F)c(F)c1 ZINC000419111425 484713262 /nfs/dbraw/zinc/71/32/62/484713262.db2.gz ORAQEOIDPUOPBR-FZMZJTMJSA-N 0 3 357.357 -0.127 20 0 FBADHN COC[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(F)c(F)c1 ZINC000419111426 484712829 /nfs/dbraw/zinc/71/28/29/484712829.db2.gz ORAQEOIDPUOPBR-RISCZKNCSA-N 0 3 357.357 -0.127 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(F)c(F)c1 ZINC000419111427 484713376 /nfs/dbraw/zinc/71/33/76/484713376.db2.gz ORAQEOIDPUOPBR-SMDDNHRTSA-N 0 3 357.357 -0.127 20 0 FBADHN NCCNC(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000419116408 484715420 /nfs/dbraw/zinc/71/54/20/484715420.db2.gz ZQTOWDDLEFCOHT-UHFFFAOYSA-N 0 3 353.854 -0.347 20 0 FBADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(CCN)CCO ZINC000419117849 484715559 /nfs/dbraw/zinc/71/55/59/484715559.db2.gz QMZMJYKJOHNQCB-CYBMUJFWSA-N 0 3 371.459 -0.865 20 0 FBADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(CCN)CCO ZINC000419117850 484714345 /nfs/dbraw/zinc/71/43/45/484714345.db2.gz QMZMJYKJOHNQCB-ZDUSSCGKSA-N 0 3 371.459 -0.865 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCNC(C)(C)C1)N1CCN(C)CC1 ZINC000419118316 484715258 /nfs/dbraw/zinc/71/52/58/484715258.db2.gz AAEQTLSBUBYINI-HNNXBMFYSA-N 0 3 353.511 -0.415 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1CCNC(C)(C)C1)N1CCN(C)CC1 ZINC000419118325 484714528 /nfs/dbraw/zinc/71/45/28/484714528.db2.gz AAEQTLSBUBYINI-OAHLLOKOSA-N 0 3 353.511 -0.415 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)N[C@H](C)C1)N1CCN(C)CC1 ZINC000419119163 484714644 /nfs/dbraw/zinc/71/46/44/484714644.db2.gz BEAIWVHTTTUXDX-BZUAXINKSA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)N[C@H](C)C1)N1CCN(C)CC1 ZINC000419119164 484714831 /nfs/dbraw/zinc/71/48/31/484714831.db2.gz BEAIWVHTTTUXDX-OAGGEKHMSA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1)N1CCN(C)CC1 ZINC000419119165 484715538 /nfs/dbraw/zinc/71/55/38/484715538.db2.gz BEAIWVHTTTUXDX-OWCLPIDISA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1)N1CCN(C)CC1 ZINC000419119166 484715379 /nfs/dbraw/zinc/71/53/79/484715379.db2.gz BEAIWVHTTTUXDX-XHSDSOJGSA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000419120129 484714781 /nfs/dbraw/zinc/71/47/81/484714781.db2.gz CAKFPHPADZSCMJ-CVEARBPZSA-N 0 3 355.527 -0.136 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000419120133 484714812 /nfs/dbraw/zinc/71/48/12/484714812.db2.gz CAKFPHPADZSCMJ-HOTGVXAUSA-N 0 3 355.527 -0.136 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000419120137 484715132 /nfs/dbraw/zinc/71/51/32/484715132.db2.gz CAKFPHPADZSCMJ-HZPDHXFCSA-N 0 3 355.527 -0.136 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000419120141 484714383 /nfs/dbraw/zinc/71/43/83/484714383.db2.gz CAKFPHPADZSCMJ-JKSUJKDBSA-N 0 3 355.527 -0.136 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)CN1 ZINC000419120359 484714328 /nfs/dbraw/zinc/71/43/28/484714328.db2.gz UBYOOPXNYUYAQZ-CABCVRRESA-N 0 3 374.489 -0.342 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)CN1 ZINC000419120361 484714752 /nfs/dbraw/zinc/71/47/52/484714752.db2.gz UBYOOPXNYUYAQZ-GJZGRUSLSA-N 0 3 374.489 -0.342 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)[C@H](C)CN1 ZINC000419120362 484714505 /nfs/dbraw/zinc/71/45/05/484714505.db2.gz UBYOOPXNYUYAQZ-HUUCEWRRSA-N 0 3 374.489 -0.342 20 0 FBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000419120363 484715288 /nfs/dbraw/zinc/71/52/88/484715288.db2.gz UBYOOPXNYUYAQZ-LSDHHAIUSA-N 0 3 374.489 -0.342 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419120628 484715396 /nfs/dbraw/zinc/71/53/96/484715396.db2.gz UGDVLTIWDSCNJC-UHFFFAOYSA-N 0 3 364.265 -0.051 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCN(C)CC1 ZINC000419121310 484715099 /nfs/dbraw/zinc/71/50/99/484715099.db2.gz DBLNZWVMHLROFY-BBWFWOEESA-N 0 3 365.522 -0.273 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCN(C)CC1 ZINC000419121311 484715468 /nfs/dbraw/zinc/71/54/68/484715468.db2.gz DBLNZWVMHLROFY-IXDOHACOSA-N 0 3 365.522 -0.273 20 0 FBADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419122304 484716292 /nfs/dbraw/zinc/71/62/92/484716292.db2.gz FQOHOFVRHNKNPV-HNNXBMFYSA-N 0 3 362.430 -0.744 20 0 FBADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419122305 484716510 /nfs/dbraw/zinc/71/65/10/484716510.db2.gz FQOHOFVRHNKNPV-OAHLLOKOSA-N 0 3 362.430 -0.744 20 0 FBADHN COCCNCCNC(=O)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000419122825 484717387 /nfs/dbraw/zinc/71/73/87/484717387.db2.gz GEAPROOAVDLDNG-UHFFFAOYSA-N 0 3 362.430 -0.566 20 0 FBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N3CCNC(C)(C)C3)cn2)CC1 ZINC000419122837 484716370 /nfs/dbraw/zinc/71/63/70/484716370.db2.gz XCAVMTQKCLWQET-UHFFFAOYSA-N 0 3 374.489 -0.340 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H](C)N1 ZINC000419123629 484716754 /nfs/dbraw/zinc/71/67/54/484716754.db2.gz YJKBDHMTPUYVOZ-GASCZTMLSA-N 0 3 374.489 -0.342 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H](C)N1 ZINC000419123630 484717398 /nfs/dbraw/zinc/71/73/98/484717398.db2.gz YJKBDHMTPUYVOZ-GJZGRUSLSA-N 0 3 374.489 -0.342 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H](C)N1 ZINC000419123631 484717086 /nfs/dbraw/zinc/71/70/86/484717086.db2.gz YJKBDHMTPUYVOZ-HUUCEWRRSA-N 0 3 374.489 -0.342 20 0 FBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)ccn1 ZINC000419124210 484717478 /nfs/dbraw/zinc/71/74/78/484717478.db2.gz QRNLVPGGSQGALN-GXTWGEPZSA-N 0 3 350.419 -0.020 20 0 FBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)ccn1 ZINC000419124211 484716413 /nfs/dbraw/zinc/71/64/13/484716413.db2.gz QRNLVPGGSQGALN-JSGCOSHPSA-N 0 3 350.419 -0.020 20 0 FBADHN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)ccn1 ZINC000419124212 484717151 /nfs/dbraw/zinc/71/71/51/484717151.db2.gz QRNLVPGGSQGALN-OCCSQVGLSA-N 0 3 350.419 -0.020 20 0 FBADHN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)ccn1 ZINC000419124213 484716994 /nfs/dbraw/zinc/71/69/94/484716994.db2.gz QRNLVPGGSQGALN-TZMCWYRMSA-N 0 3 350.419 -0.020 20 0 FBADHN O=C(CNC(=O)C(=O)NC[C@@H]1CNCCO1)N1CCCc2ccccc21 ZINC000419125118 484716198 /nfs/dbraw/zinc/71/61/98/484716198.db2.gz JEFSUTYVGMVJOW-AWEZNQCLSA-N 0 3 360.414 -0.813 20 0 FBADHN O=C(CNC(=O)C(=O)NC[C@H]1CNCCO1)N1CCCc2ccccc21 ZINC000419125119 484716683 /nfs/dbraw/zinc/71/66/83/484716683.db2.gz JEFSUTYVGMVJOW-CQSZACIVSA-N 0 3 360.414 -0.813 20 0 FBADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@H]1CNCCO1)O[C@H](C)C2 ZINC000419125243 484716845 /nfs/dbraw/zinc/71/68/45/484716845.db2.gz JQURDAAGPSUCIX-BXUZGUMPSA-N 0 3 363.414 -0.261 20 0 FBADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1CNCCO1)O[C@@H](C)C2 ZINC000419125245 484717120 /nfs/dbraw/zinc/71/71/20/484717120.db2.gz JQURDAAGPSUCIX-FZMZJTMJSA-N 0 3 363.414 -0.261 20 0 FBADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1CNCCO1)O[C@H](C)C2 ZINC000419125248 484717309 /nfs/dbraw/zinc/71/73/09/484717309.db2.gz JQURDAAGPSUCIX-RISCZKNCSA-N 0 3 363.414 -0.261 20 0 FBADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@H]1CNCCO1)O[C@@H](C)C2 ZINC000419125250 484716864 /nfs/dbraw/zinc/71/68/64/484716864.db2.gz JQURDAAGPSUCIX-SMDDNHRTSA-N 0 3 363.414 -0.261 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C)N1CCN(C)CC1 ZINC000419125293 484716317 /nfs/dbraw/zinc/71/63/17/484716317.db2.gz JVJDYAYOFWXHFY-BZUAXINKSA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C)N1CCN(C)CC1 ZINC000419125296 484717136 /nfs/dbraw/zinc/71/71/36/484717136.db2.gz JVJDYAYOFWXHFY-OAGGEKHMSA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C)N1CCN(C)CC1 ZINC000419125299 484716345 /nfs/dbraw/zinc/71/63/45/484716345.db2.gz JVJDYAYOFWXHFY-OWCLPIDISA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C)N1CCN(C)CC1 ZINC000419125518 484717070 /nfs/dbraw/zinc/71/70/70/484717070.db2.gz JVJDYAYOFWXHFY-PMPSAXMXSA-N 0 3 353.511 -0.417 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)N1CCN(C)CC1 ZINC000419125617 484716499 /nfs/dbraw/zinc/71/64/99/484716499.db2.gz KLGFVXQYKWSJDY-BBWFWOEESA-N 0 3 367.538 -0.040 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)N1CCN(C)CC1 ZINC000419125710 484716652 /nfs/dbraw/zinc/71/66/52/484716652.db2.gz KLGFVXQYKWSJDY-IKGGRYGDSA-N 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484717274 /nfs/dbraw/zinc/71/72/74/484717274.db2.gz MWJUUWRKEFIHLX-IAGOWNOFSA-N 0 3 367.538 -0.025 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000419126365 484717178 /nfs/dbraw/zinc/71/71/78/484717178.db2.gz MWJUUWRKEFIHLX-IRXDYDNUSA-N 0 3 367.538 -0.025 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000419126366 484716114 /nfs/dbraw/zinc/71/61/14/484716114.db2.gz MWJUUWRKEFIHLX-SJORKVTESA-N 0 3 367.538 -0.025 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1 ZINC000419126759 484717355 /nfs/dbraw/zinc/71/73/55/484717355.db2.gz OCLWWPUDZPZVLS-GXTWGEPZSA-N 0 3 362.430 -0.238 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1 ZINC000419126760 484717453 /nfs/dbraw/zinc/71/74/53/484717453.db2.gz OCLWWPUDZPZVLS-JSGCOSHPSA-N 0 3 362.430 -0.238 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1 ZINC000419126761 484717298 /nfs/dbraw/zinc/71/72/98/484717298.db2.gz OCLWWPUDZPZVLS-OCCSQVGLSA-N 0 3 362.430 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FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)[C@@H](CN)C1 ZINC000419132213 484718315 /nfs/dbraw/zinc/71/83/15/484718315.db2.gz DOYIYOARWUFPTE-NUEKZKHPSA-N 0 3 374.441 -0.127 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)[C@H](CN)C1 ZINC000419132214 484718881 /nfs/dbraw/zinc/71/88/81/484718881.db2.gz DOYIYOARWUFPTE-VNQPRFMTSA-N 0 3 374.441 -0.127 20 0 FBADHN NCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000419133012 483485582 /nfs/dbraw/zinc/48/55/82/483485582.db2.gz IDKVQQLESCLWCT-LLVKDONJSA-N 0 3 374.319 -0.118 20 0 FBADHN NCCNC(=O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000419133015 483486144 /nfs/dbraw/zinc/48/61/44/483486144.db2.gz IDKVQQLESCLWCT-NSHDSACASA-N 0 3 374.319 -0.118 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000419134298 484724057 /nfs/dbraw/zinc/72/40/57/484724057.db2.gz JTKCODJAUOXBGO-HNNXBMFYSA-N 0 3 362.430 -0.350 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000419134299 484723938 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O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000419137763 484726009 /nfs/dbraw/zinc/72/60/09/484726009.db2.gz RBUJIMGZNWSEFW-IAGOWNOFSA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419137765 484725447 /nfs/dbraw/zinc/72/54/47/484725447.db2.gz RBUJIMGZNWSEFW-IRXDYDNUSA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419137767 484725883 /nfs/dbraw/zinc/72/58/83/484725883.db2.gz RBUJIMGZNWSEFW-SJORKVTESA-N 0 3 360.458 -0.128 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419138989 484725970 /nfs/dbraw/zinc/72/59/70/484725970.db2.gz TYVXQLIXROQTRQ-CABCVRRESA-N 0 3 362.478 -0.486 20 0 FBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419138990 484726195 /nfs/dbraw/zinc/72/61/95/484726195.db2.gz TYVXQLIXROQTRQ-GJZGRUSLSA-N 0 3 362.478 -0.486 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)[C@H](C)CN ZINC000419138991 484725912 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FBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000419159417 484721628 /nfs/dbraw/zinc/72/16/28/484721628.db2.gz OCPLAUGZXHKXKL-INIZCTEOSA-N 0 3 374.489 -0.211 20 0 FBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000419159418 484721856 /nfs/dbraw/zinc/72/18/56/484721856.db2.gz OCPLAUGZXHKXKL-MRXNPFEDSA-N 0 3 374.489 -0.211 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419159436 484721174 /nfs/dbraw/zinc/72/11/74/484721174.db2.gz ZCCHFXBBMODKJF-KBPBESRZSA-N 0 3 374.507 -0.450 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419159437 484721600 /nfs/dbraw/zinc/72/16/00/484721600.db2.gz ZCCHFXBBMODKJF-KGLIPLIRSA-N 0 3 374.507 -0.450 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419159438 484721522 /nfs/dbraw/zinc/72/15/22/484721522.db2.gz ZCCHFXBBMODKJF-UONOGXRCSA-N 0 3 374.507 -0.450 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419159439 484721124 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Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000419161929 484721000 /nfs/dbraw/zinc/72/10/00/484721000.db2.gz JJAGGFBQMUZMQU-CYBMUJFWSA-N 0 3 368.459 -0.661 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H]2CN)cc1 ZINC000419161930 484721777 /nfs/dbraw/zinc/72/17/77/484721777.db2.gz JJAGGFBQMUZMQU-ZDUSSCGKSA-N 0 3 368.459 -0.661 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000419163149 484721293 /nfs/dbraw/zinc/72/12/93/484721293.db2.gz VXQKZUSQSVYNEN-DOMZBBRYSA-N 0 3 352.410 -0.221 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000419163150 484721305 /nfs/dbraw/zinc/72/13/05/484721305.db2.gz VXQKZUSQSVYNEN-IUODEOHRSA-N 0 3 352.410 -0.221 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000419163157 484720988 /nfs/dbraw/zinc/72/09/88/484720988.db2.gz VXQKZUSQSVYNEN-SWLSCSKDSA-N 0 3 352.410 -0.221 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000419163163 484721064 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Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1F ZINC000419168596 484723297 /nfs/dbraw/zinc/72/32/97/484723297.db2.gz QFRLTIGBDXYYMH-ZDUSSCGKSA-N 0 3 366.393 -0.915 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419169561 484722439 /nfs/dbraw/zinc/72/24/39/484722439.db2.gz GJRFXEYHMPUGNI-CWRNSKLLSA-N 0 3 356.426 -0.181 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419169563 484722805 /nfs/dbraw/zinc/72/28/05/484722805.db2.gz GJRFXEYHMPUGNI-VNQPRFMTSA-N 0 3 356.426 -0.181 20 0 FBADHN O=C(NCCCNCc1cccnc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000419170359 484722761 /nfs/dbraw/zinc/72/27/61/484722761.db2.gz HIRUTSQAZSOZKW-AWEZNQCLSA-N 0 3 359.430 -0.443 20 0 FBADHN O=C(NCCCNCc1cccnc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000419170361 484723140 /nfs/dbraw/zinc/72/31/40/484723140.db2.gz HIRUTSQAZSOZKW-CQSZACIVSA-N 0 3 359.430 -0.443 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419170677 484722842 /nfs/dbraw/zinc/72/28/42/484722842.db2.gz HVGVPCCGCGDNMW-CWRNSKLLSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419170678 484722936 /nfs/dbraw/zinc/72/29/36/484722936.db2.gz HVGVPCCGCGDNMW-VNQPRFMTSA-N 0 3 374.416 -0.042 20 0 FBADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCCNCC2)cc1F ZINC000419172340 484723231 /nfs/dbraw/zinc/72/32/31/484723231.db2.gz UOUSQBNPVAPOCA-UHFFFAOYSA-N 0 3 350.394 -0.198 20 0 FBADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000419173601 484724693 /nfs/dbraw/zinc/72/46/93/484724693.db2.gz VRYDJKNLWRAHMK-AWEZNQCLSA-N 0 3 370.475 -0.409 20 0 FBADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000419173602 484724547 /nfs/dbraw/zinc/72/45/47/484724547.db2.gz VRYDJKNLWRAHMK-CQSZACIVSA-N 0 3 370.475 -0.409 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000419173697 484724521 /nfs/dbraw/zinc/72/45/21/484724521.db2.gz TYZHXHRNNTWRRD-UHFFFAOYSA-N 0 3 351.403 -0.184 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N(CCN)CCO)c1c(F)cccc1F ZINC000419176521 484724566 /nfs/dbraw/zinc/72/45/66/484724566.db2.gz QUINQRKEVKTBHI-CYBMUJFWSA-N 0 3 358.389 -0.537 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N(CCN)CCO)c1c(F)cccc1F ZINC000419176522 484724539 /nfs/dbraw/zinc/72/45/39/484724539.db2.gz QUINQRKEVKTBHI-ZDUSSCGKSA-N 0 3 358.389 -0.537 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419177125 484724376 /nfs/dbraw/zinc/72/43/76/484724376.db2.gz RPGDEFLUVRNEKF-DIOULYMOSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419177126 484724435 /nfs/dbraw/zinc/72/44/35/484724435.db2.gz RPGDEFLUVRNEKF-HZUKXOBISA-N 0 3 374.416 -0.042 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419177171 484724514 /nfs/dbraw/zinc/72/45/14/484724514.db2.gz ATDZGOZVZICCBJ-GXTWGEPZSA-N 0 3 350.394 -0.327 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419179302 484724196 /nfs/dbraw/zinc/72/41/96/484724196.db2.gz HTPHJUSKWJOMCC-HNNXBMFYSA-N 0 3 353.511 -0.271 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419179303 484724100 /nfs/dbraw/zinc/72/41/00/484724100.db2.gz HTPHJUSKWJOMCC-OAHLLOKOSA-N 0 3 353.511 -0.271 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC000419180115 484724606 /nfs/dbraw/zinc/72/46/06/484724606.db2.gz XCXBVICSINUMLZ-CHWSQXEVSA-N 0 3 354.451 -0.266 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC000419180118 484724579 /nfs/dbraw/zinc/72/45/79/484724579.db2.gz XCXBVICSINUMLZ-OLZOCXBDSA-N 0 3 354.451 -0.266 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC000419180119 484724216 /nfs/dbraw/zinc/72/42/16/484724216.db2.gz XCXBVICSINUMLZ-QWHCGFSZSA-N 0 3 354.451 -0.266 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC000419180121 484723881 /nfs/dbraw/zinc/72/38/81/484723881.db2.gz XCXBVICSINUMLZ-STQMWFEESA-N 0 3 354.451 -0.266 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000419181222 484732106 /nfs/dbraw/zinc/73/21/06/484732106.db2.gz YDUVEVNUOOPWDS-KBPBESRZSA-N 0 3 350.467 -0.005 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000419181223 484731690 /nfs/dbraw/zinc/73/16/90/484731690.db2.gz YDUVEVNUOOPWDS-KGLIPLIRSA-N 0 3 350.467 -0.005 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000419181224 484732569 /nfs/dbraw/zinc/73/25/69/484732569.db2.gz YDUVEVNUOOPWDS-UONOGXRCSA-N 0 3 350.467 -0.005 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000419181225 484732031 /nfs/dbraw/zinc/73/20/31/484732031.db2.gz YDUVEVNUOOPWDS-ZIAGYGMSSA-N 0 3 350.467 -0.005 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1c(F)cccc1F ZINC000419182041 484732941 /nfs/dbraw/zinc/73/29/41/484732941.db2.gz YWMQZQJUIOYSCK-BXUZGUMPSA-N 0 3 370.400 -0.212 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1c(F)cccc1F ZINC000419182042 484732500 /nfs/dbraw/zinc/73/25/00/484732500.db2.gz YWMQZQJUIOYSCK-FZMZJTMJSA-N 0 3 370.400 -0.212 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1c(F)cccc1F ZINC000419182043 484732960 /nfs/dbraw/zinc/73/29/60/484732960.db2.gz YWMQZQJUIOYSCK-RISCZKNCSA-N 0 3 370.400 -0.212 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1c(F)cccc1F ZINC000419182044 484732432 /nfs/dbraw/zinc/73/24/32/484732432.db2.gz YWMQZQJUIOYSCK-SMDDNHRTSA-N 0 3 370.400 -0.212 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419183241 484732145 /nfs/dbraw/zinc/73/21/45/484732145.db2.gz BTWSFTXSLFFKBI-UONOGXRCSA-N 0 3 350.394 -0.327 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1=O ZINC000419183655 484731773 /nfs/dbraw/zinc/73/17/73/484731773.db2.gz IQCRTQWTVAICPJ-FHUSYTEZSA-N 0 3 352.435 -0.659 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1=O ZINC000419183656 484731786 /nfs/dbraw/zinc/73/17/86/484731786.db2.gz IQCRTQWTVAICPJ-KVSVUVNWSA-N 0 3 352.435 -0.659 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1=O ZINC000419183657 484732770 /nfs/dbraw/zinc/73/27/70/484732770.db2.gz IQCRTQWTVAICPJ-MLGHIDQZSA-N 0 3 352.435 -0.659 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1=O ZINC000419183658 484732484 /nfs/dbraw/zinc/73/24/84/484732484.db2.gz IQCRTQWTVAICPJ-VEGXAWMVSA-N 0 3 352.435 -0.659 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1ccsc1Br ZINC000419183886 484731986 /nfs/dbraw/zinc/73/19/86/484731986.db2.gz NABOLQDPXIDAAS-UHFFFAOYSA-N 0 3 350.238 -0.094 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](CN)C1 ZINC000419185169 484734076 /nfs/dbraw/zinc/73/40/76/484734076.db2.gz FUXQCMVKLNHCKX-FRRDWIJNSA-N 0 3 354.451 -0.533 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](CN)C1 ZINC000419185170 484734476 /nfs/dbraw/zinc/73/44/76/484734476.db2.gz FUXQCMVKLNHCKX-JHJVBQTASA-N 0 3 354.451 -0.533 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](CN)C1 ZINC000419185171 484734381 /nfs/dbraw/zinc/73/43/81/484734381.db2.gz FUXQCMVKLNHCKX-RWMBFGLXSA-N 0 3 354.451 -0.533 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](CN)C1 ZINC000419185172 484734668 /nfs/dbraw/zinc/73/46/68/484734668.db2.gz FUXQCMVKLNHCKX-YNEHKIRRSA-N 0 3 354.451 -0.533 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419186017 484733639 /nfs/dbraw/zinc/73/36/39/484733639.db2.gz IAKSYTKVKPGUQW-UHFFFAOYSA-N 0 3 358.236 -0.113 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000419186947 484733706 /nfs/dbraw/zinc/73/37/06/484733706.db2.gz FNXVEYFCEHSCFB-NEPJUHHUSA-N 0 3 368.384 -0.236 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000419186951 484734407 /nfs/dbraw/zinc/73/44/07/484734407.db2.gz FNXVEYFCEHSCFB-NWDGAFQWSA-N 0 3 368.384 -0.236 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000419186957 484734629 /nfs/dbraw/zinc/73/46/29/484734629.db2.gz FNXVEYFCEHSCFB-RYUDHWBXSA-N 0 3 368.384 -0.236 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000419186965 484734523 /nfs/dbraw/zinc/73/45/23/484734523.db2.gz FNXVEYFCEHSCFB-VXGBXAGGSA-N 0 3 368.384 -0.236 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419189380 484734456 /nfs/dbraw/zinc/73/44/56/484734456.db2.gz UIEZLVKSUVGIES-KBPBESRZSA-N 0 3 369.510 -0.642 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419189381 484733813 /nfs/dbraw/zinc/73/38/13/484733813.db2.gz UIEZLVKSUVGIES-KGLIPLIRSA-N 0 3 369.510 -0.642 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419189382 484733783 /nfs/dbraw/zinc/73/37/83/484733783.db2.gz UIEZLVKSUVGIES-UONOGXRCSA-N 0 3 369.510 -0.642 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419189383 484734644 /nfs/dbraw/zinc/73/46/44/484734644.db2.gz UIEZLVKSUVGIES-ZIAGYGMSSA-N 0 3 369.510 -0.642 20 0 FBADHN COc1ccc(OC(F)F)c(CNC(=O)C(=O)N(CCN)CCO)c1 ZINC000419191196 484734098 /nfs/dbraw/zinc/73/40/98/484734098.db2.gz IWSVJCJNMVSFIO-UHFFFAOYSA-N 0 3 361.345 -0.308 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419192711 484733844 /nfs/dbraw/zinc/73/38/44/484733844.db2.gz NWWOJHKTBCJWMK-QJPTWQEYSA-N 0 3 354.451 -0.269 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419192719 484733966 /nfs/dbraw/zinc/73/39/66/484733966.db2.gz NWWOJHKTBCJWMK-SDDRHHMPSA-N 0 3 354.451 -0.269 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419192721 484734291 /nfs/dbraw/zinc/73/42/91/484734291.db2.gz NWWOJHKTBCJWMK-SRVKXCTJSA-N 0 3 354.451 -0.269 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419192724 484734443 /nfs/dbraw/zinc/73/44/43/484734443.db2.gz NWWOJHKTBCJWMK-TUAOUCFPSA-N 0 3 354.451 -0.269 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000419194192 484734681 /nfs/dbraw/zinc/73/46/81/484734681.db2.gz VUSPYRUCQKTCCM-CYBMUJFWSA-N 0 3 354.838 -0.186 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000419194193 484734724 /nfs/dbraw/zinc/73/47/24/484734724.db2.gz VUSPYRUCQKTCCM-ZDUSSCGKSA-N 0 3 354.838 -0.186 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000419194217 484734044 /nfs/dbraw/zinc/73/40/44/484734044.db2.gz VWUIYONDRORKIS-LLVKDONJSA-N 0 3 372.828 -0.046 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000419194218 484734579 /nfs/dbraw/zinc/73/45/79/484734579.db2.gz VWUIYONDRORKIS-NSHDSACASA-N 0 3 372.828 -0.046 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000419196291 484729304 /nfs/dbraw/zinc/72/93/04/484729304.db2.gz ZFSYBMTUSPWWGJ-CYBMUJFWSA-N 0 3 354.838 -0.186 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000419196293 484728408 /nfs/dbraw/zinc/72/84/08/484728408.db2.gz ZFSYBMTUSPWWGJ-ZDUSSCGKSA-N 0 3 354.838 -0.186 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NCCCNCc2cccnc2)CC1=O ZINC000419196666 484728801 /nfs/dbraw/zinc/72/88/01/484728801.db2.gz ZYQIRHDHZHTFHZ-BMFZPTHFSA-N 0 3 373.457 -0.197 20 0 FBADHN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)NCCCNCc2cccnc2)CC1=O ZINC000419196667 484729147 /nfs/dbraw/zinc/72/91/47/484729147.db2.gz ZYQIRHDHZHTFHZ-FVQBIDKESA-N 0 3 373.457 -0.197 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NCCCNCc2cccnc2)CC1=O ZINC000419196670 484728703 /nfs/dbraw/zinc/72/87/03/484728703.db2.gz ZYQIRHDHZHTFHZ-KBMXLJTQSA-N 0 3 373.457 -0.197 20 0 FBADHN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)NCCCNCc2cccnc2)CC1=O ZINC000419196674 484729034 /nfs/dbraw/zinc/72/90/34/484729034.db2.gz ZYQIRHDHZHTFHZ-VNQPRFMTSA-N 0 3 373.457 -0.197 20 0 FBADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419196677 484728958 /nfs/dbraw/zinc/72/89/58/484728958.db2.gz TYBQEDOEHCCAEL-BFHYXJOUSA-N 0 3 364.450 -0.170 20 0 FBADHN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419196680 484729111 /nfs/dbraw/zinc/72/91/11/484729111.db2.gz TYBQEDOEHCCAEL-HZSPNIEDSA-N 0 3 364.450 -0.170 20 0 FBADHN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419196685 484729340 /nfs/dbraw/zinc/72/93/40/484729340.db2.gz TYBQEDOEHCCAEL-MELADBBJSA-N 0 3 364.450 -0.170 20 0 FBADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419196687 484729168 /nfs/dbraw/zinc/72/91/68/484729168.db2.gz TYBQEDOEHCCAEL-MGPQQGTHSA-N 0 3 364.450 -0.170 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419198656 484729240 /nfs/dbraw/zinc/72/92/40/484729240.db2.gz CAMDQBPNWMCQLW-AWEZNQCLSA-N 0 3 360.462 -0.730 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419198657 484729330 /nfs/dbraw/zinc/72/93/30/484729330.db2.gz CAMDQBPNWMCQLW-CQSZACIVSA-N 0 3 360.462 -0.730 20 0 FBADHN COc1ccc(Br)cc1CNC(=O)C(=O)N(CCN)CCO ZINC000419198660 484728631 /nfs/dbraw/zinc/72/86/31/484728631.db2.gz CAPUKSGMJISLCM-UHFFFAOYSA-N 0 3 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C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1OCCO ZINC000419374419 484747800 /nfs/dbraw/zinc/74/78/00/484747800.db2.gz OHIFZHQXXVOKQK-OCCSQVGLSA-N 0 3 365.430 -0.097 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCCO ZINC000419374420 484747281 /nfs/dbraw/zinc/74/72/81/484747281.db2.gz OHIFZHQXXVOKQK-TZMCWYRMSA-N 0 3 365.430 -0.097 20 0 FBADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N2CC[C@@H](N)C2)cc1 ZINC000419378176 484751378 /nfs/dbraw/zinc/75/13/78/484751378.db2.gz DLBGWOCMZGZCPE-CHWSQXEVSA-N 0 3 353.444 -0.167 20 0 FBADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N2CC[C@H](N)C2)cc1 ZINC000419378177 484750771 /nfs/dbraw/zinc/75/07/71/484750771.db2.gz DLBGWOCMZGZCPE-OLZOCXBDSA-N 0 3 353.444 -0.167 20 0 FBADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CC[C@@H](N)C2)cc1 ZINC000419378178 484750830 /nfs/dbraw/zinc/75/08/30/484750830.db2.gz DLBGWOCMZGZCPE-QWHCGFSZSA-N 0 3 353.444 -0.167 20 0 FBADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CC[C@H](N)C2)cc1 ZINC000419378179 484751768 /nfs/dbraw/zinc/75/17/68/484751768.db2.gz DLBGWOCMZGZCPE-STQMWFEESA-N 0 3 353.444 -0.167 20 0 FBADHN NCCNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000419379843 484751737 /nfs/dbraw/zinc/75/17/37/484751737.db2.gz XCICNVJCVPJMQN-AWEZNQCLSA-N 0 3 354.838 -0.096 20 0 FBADHN NCCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000419379844 484751782 /nfs/dbraw/zinc/75/17/82/484751782.db2.gz XCICNVJCVPJMQN-CQSZACIVSA-N 0 3 354.838 -0.096 20 0 FBADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N(CCN)CCO)cc1 ZINC000419382865 484751612 /nfs/dbraw/zinc/75/16/12/484751612.db2.gz IWPLAIOYFMGXQW-CYBMUJFWSA-N 0 3 371.459 -0.947 20 0 FBADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N(CCN)CCO)cc1 ZINC000419382866 484751605 /nfs/dbraw/zinc/75/16/05/484751605.db2.gz IWPLAIOYFMGXQW-ZDUSSCGKSA-N 0 3 371.459 -0.947 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NCC(F)(F)CN)Cc2ccccc2C1 ZINC000419383334 484751534 /nfs/dbraw/zinc/75/15/34/484751534.db2.gz ZZPBTJPEUAYJLJ-UHFFFAOYSA-N 0 3 354.401 -0.088 20 0 FBADHN CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000419383574 484750922 /nfs/dbraw/zinc/75/09/22/484750922.db2.gz LBZPDMINWDSZFS-CYBMUJFWSA-N 0 3 368.459 -0.449 20 0 FBADHN CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2CN)cc1 ZINC000419383575 484751320 /nfs/dbraw/zinc/75/13/20/484751320.db2.gz LBZPDMINWDSZFS-ZDUSSCGKSA-N 0 3 368.459 -0.449 20 0 FBADHN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(=O)N(CCN)CCO ZINC000419384115 484750994 /nfs/dbraw/zinc/75/09/94/484750994.db2.gz AVXVNLNIZXFORO-UHFFFAOYSA-N 0 3 363.393 -0.284 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419386446 484752808 /nfs/dbraw/zinc/75/28/08/484752808.db2.gz MLHVHYNKJCNSNR-CYBMUJFWSA-N 0 3 368.821 -0.659 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419386447 484752747 /nfs/dbraw/zinc/75/27/47/484752747.db2.gz MLHVHYNKJCNSNR-ZDUSSCGKSA-N 0 3 368.821 -0.659 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCNC(=O)c1cccnc1)C1CCCCC1 ZINC000419390277 484748135 /nfs/dbraw/zinc/74/81/35/484748135.db2.gz 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ZINC000419394383 484750007 /nfs/dbraw/zinc/75/00/07/484750007.db2.gz PALLTMYRKAQACX-YPMHNXCESA-N 0 3 363.418 -0.843 20 0 FBADHN CN1CCO[C@H]([C@@H](NC(=O)C(=O)NCCN)c2ccc(Cl)cc2)C1 ZINC000419396806 484749164 /nfs/dbraw/zinc/74/91/64/484749164.db2.gz WIZNBHZGKKVCOG-KBPBESRZSA-N 0 3 354.838 -0.097 20 0 FBADHN CN1CCO[C@@H]([C@@H](NC(=O)C(=O)NCCN)c2ccc(Cl)cc2)C1 ZINC000419396807 484749186 /nfs/dbraw/zinc/74/91/86/484749186.db2.gz WIZNBHZGKKVCOG-KGLIPLIRSA-N 0 3 354.838 -0.097 20 0 FBADHN CN1CCO[C@H]([C@H](NC(=O)C(=O)NCCN)c2ccc(Cl)cc2)C1 ZINC000419396808 484750045 /nfs/dbraw/zinc/75/00/45/484750045.db2.gz WIZNBHZGKKVCOG-UONOGXRCSA-N 0 3 354.838 -0.097 20 0 FBADHN CN1CCO[C@@H]([C@H](NC(=O)C(=O)NCCN)c2ccc(Cl)cc2)C1 ZINC000419396809 484749736 /nfs/dbraw/zinc/74/97/36/484749736.db2.gz WIZNBHZGKKVCOG-ZIAGYGMSSA-N 0 3 354.838 -0.097 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000419397735 484748999 /nfs/dbraw/zinc/74/89/99/484748999.db2.gz FUTNYQKCJIKMNA-UHFFFAOYSA-N 0 3 364.324 -0.625 20 0 FBADHN COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419397748 484748950 /nfs/dbraw/zinc/74/89/50/484748950.db2.gz FWTDDGGYOWTSDA-HNNXBMFYSA-N 0 3 367.402 -0.697 20 0 FBADHN COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419397749 484748977 /nfs/dbraw/zinc/74/89/77/484748977.db2.gz FWTDDGGYOWTSDA-OAHLLOKOSA-N 0 3 367.402 -0.697 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000419398342 484749773 /nfs/dbraw/zinc/74/97/73/484749773.db2.gz WTZWFGOQPULBOA-UHFFFAOYSA-N 0 3 369.425 -0.085 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000419399147 484749679 /nfs/dbraw/zinc/74/96/79/484749679.db2.gz JBIZKVPBHQZPGN-KBPBESRZSA-N 0 3 357.357 -0.309 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000419399148 484749875 /nfs/dbraw/zinc/74/98/75/484749875.db2.gz JBIZKVPBHQZPGN-KGLIPLIRSA-N 0 3 357.357 -0.309 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000419399149 484750177 /nfs/dbraw/zinc/75/01/77/484750177.db2.gz JBIZKVPBHQZPGN-UONOGXRCSA-N 0 3 357.357 -0.309 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000419399150 484749120 /nfs/dbraw/zinc/74/91/20/484749120.db2.gz JBIZKVPBHQZPGN-ZIAGYGMSSA-N 0 3 357.357 -0.309 20 0 FBADHN CC(C)(CNC(=O)C(=O)N(CCN)CCO)N1CCc2ccccc2C1 ZINC000419399354 484749995 /nfs/dbraw/zinc/74/99/95/484749995.db2.gz YWFZYEGEKINKMJ-UHFFFAOYSA-N 0 3 362.474 -0.281 20 0 FBADHN CC[C@@H](CNC(=O)C(=O)N(CCN)CCO)N1CCc2ccccc2C1 ZINC000419403683 484749949 /nfs/dbraw/zinc/74/99/49/484749949.db2.gz DSQIEDUGCVDMFI-KRWDZBQOSA-N 0 3 362.474 -0.281 20 0 FBADHN CC[C@H](CNC(=O)C(=O)N(CCN)CCO)N1CCc2ccccc2C1 ZINC000419403684 484749718 /nfs/dbraw/zinc/74/97/18/484749718.db2.gz DSQIEDUGCVDMFI-QGZVFWFLSA-N 0 3 362.474 -0.281 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419407076 484750140 /nfs/dbraw/zinc/75/01/40/484750140.db2.gz KASDESGXQGATAK-CYBMUJFWSA-N 0 3 354.451 -0.612 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419407078 484749661 /nfs/dbraw/zinc/74/96/61/484749661.db2.gz KASDESGXQGATAK-ZDUSSCGKSA-N 0 3 354.451 -0.612 20 0 FBADHN CN(C(=O)C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419407818 484749426 /nfs/dbraw/zinc/74/94/26/484749426.db2.gz LDLAUDKJPMRDLC-JQWIXIFHSA-N 0 3 372.219 -0.438 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419408925 484749408 /nfs/dbraw/zinc/74/94/08/484749408.db2.gz YFIFLJHGMLOGIN-UHFFFAOYSA-N 0 3 365.217 -0.337 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(F)cc1 ZINC000419409273 484750286 /nfs/dbraw/zinc/75/02/86/484750286.db2.gz MXHOSFZIYFGVMF-CABCVRRESA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000419409274 484750088 /nfs/dbraw/zinc/75/00/88/484750088.db2.gz MXHOSFZIYFGVMF-GJZGRUSLSA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(F)cc1 ZINC000419409275 484749210 /nfs/dbraw/zinc/74/92/10/484749210.db2.gz MXHOSFZIYFGVMF-HUUCEWRRSA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000419409276 484749367 /nfs/dbraw/zinc/74/93/67/484749367.db2.gz MXHOSFZIYFGVMF-LSDHHAIUSA-N 0 3 352.410 -0.351 20 0 FBADHN [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000419409313 484749701 /nfs/dbraw/zinc/74/97/01/484749701.db2.gz NCPVEKICSWOGFM-JTQLQIEISA-N 0 3 372.219 -0.043 20 0 FBADHN [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000419409314 484749574 /nfs/dbraw/zinc/74/95/74/484749574.db2.gz NCPVEKICSWOGFM-SNVBAGLBSA-N 0 3 372.219 -0.043 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419409918 484749387 /nfs/dbraw/zinc/74/93/87/484749387.db2.gz NXMFQOZZPXIXQC-GXTWGEPZSA-N 0 3 352.435 -0.859 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419409922 484751332 /nfs/dbraw/zinc/75/13/32/484751332.db2.gz NXMFQOZZPXIXQC-JSGCOSHPSA-N 0 3 352.435 -0.859 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419409925 484751217 /nfs/dbraw/zinc/75/12/17/484751217.db2.gz NXMFQOZZPXIXQC-OCCSQVGLSA-N 0 3 352.435 -0.859 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419409927 484751833 /nfs/dbraw/zinc/75/18/33/484751833.db2.gz NXMFQOZZPXIXQC-TZMCWYRMSA-N 0 3 352.435 -0.859 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000419414288 484751706 /nfs/dbraw/zinc/75/17/06/484751706.db2.gz GPIJPRSDVOSEIE-UHFFFAOYSA-N 0 3 357.794 -0.493 20 0 FBADHN O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)N1CCNCC1 ZINC000419415322 484751750 /nfs/dbraw/zinc/75/17/50/484751750.db2.gz HTUNTVNNYFPSSA-UHFFFAOYSA-N 0 3 359.474 -0.253 20 0 FBADHN Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N(CCN)CCO)cc2)n1 ZINC000419417954 484751234 /nfs/dbraw/zinc/75/12/34/484751234.db2.gz KNPKLRLWUFIIDQ-UHFFFAOYSA-N 0 3 373.457 -0.073 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000419420493 484753141 /nfs/dbraw/zinc/75/31/41/484753141.db2.gz NIBDKGHZOFHBDG-CYBMUJFWSA-N 0 3 370.475 -0.155 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000419420494 484753472 /nfs/dbraw/zinc/75/34/72/484753472.db2.gz NIBDKGHZOFHBDG-ZDUSSCGKSA-N 0 3 370.475 -0.155 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)N2CCNCC2)[C@@H](c2ccccc2)C1 ZINC000419422192 484753901 /nfs/dbraw/zinc/75/39/01/484753901.db2.gz QGWHUIVTKCPACL-GOSISDBHSA-N 0 3 373.501 -0.087 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)N2CCNCC2)[C@H](c2ccccc2)C1 ZINC000419422194 484752425 /nfs/dbraw/zinc/75/24/25/484752425.db2.gz QGWHUIVTKCPACL-SFHVURJKSA-N 0 3 373.501 -0.087 20 0 FBADHN O=C(NCc1cc(Cl)c2c(c1)OCCO2)C(=O)NC[C@H]1CNCCO1 ZINC000419422978 484753219 /nfs/dbraw/zinc/75/32/19/484753219.db2.gz RDXFTYICIILCAS-LLVKDONJSA-N 0 3 369.805 -0.168 20 0 FBADHN O=C(NCc1cc(Cl)c2c(c1)OCCO2)C(=O)NC[C@@H]1CNCCO1 ZINC000419422979 484753194 /nfs/dbraw/zinc/75/31/94/484753194.db2.gz RDXFTYICIILCAS-NSHDSACASA-N 0 3 369.805 -0.168 20 0 FBADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CCNCC1 ZINC000419423728 484753629 /nfs/dbraw/zinc/75/36/29/484753629.db2.gz SEMYKVFKDPCEMZ-UHFFFAOYSA-N 0 3 373.501 -0.258 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419426278 484752318 /nfs/dbraw/zinc/75/23/18/484752318.db2.gz QQIMCDNTDUDOAH-BHYGNILZSA-N 0 3 360.458 -0.223 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419426279 484752799 /nfs/dbraw/zinc/75/27/99/484752799.db2.gz QQIMCDNTDUDOAH-HYVNUMGLSA-N 0 3 360.458 -0.223 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419429355 484755133 /nfs/dbraw/zinc/75/51/33/484755133.db2.gz ANEIFRCAZPPNCD-SECBINFHSA-N 0 3 371.235 -0.242 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419429361 484754932 /nfs/dbraw/zinc/75/49/32/484754932.db2.gz ANEIFRCAZPPNCD-VIFPVBQESA-N 0 3 371.235 -0.242 20 0 FBADHN NCCNC(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419435200 484754818 /nfs/dbraw/zinc/75/48/18/484754818.db2.gz JVBQQTGSHHZYAE-UHFFFAOYSA-N 0 3 357.208 -0.630 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN(C)CC(F)(F)F ZINC000419436681 484755267 /nfs/dbraw/zinc/75/52/67/484755267.db2.gz FCNWSNZPGXHZRC-NXEZZACHSA-N 0 3 354.373 -0.174 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN(C)CC(F)(F)F ZINC000419436682 484755277 /nfs/dbraw/zinc/75/52/77/484755277.db2.gz FCNWSNZPGXHZRC-UWVGGRQHSA-N 0 3 354.373 -0.174 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN(C)CC(F)(F)F ZINC000419436683 484755077 /nfs/dbraw/zinc/75/50/77/484755077.db2.gz FCNWSNZPGXHZRC-VHSXEESVSA-N 0 3 354.373 -0.174 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN(C)CC(F)(F)F ZINC000419436684 484754888 /nfs/dbraw/zinc/75/48/88/484754888.db2.gz FCNWSNZPGXHZRC-ZJUUUORDSA-N 0 3 354.373 -0.174 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000419436935 484755201 /nfs/dbraw/zinc/75/52/01/484755201.db2.gz DRBSOAGZOMMRGY-AWEZNQCLSA-N 0 3 364.446 -0.258 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000419436936 484755111 /nfs/dbraw/zinc/75/51/11/484755111.db2.gz DRBSOAGZOMMRGY-CQSZACIVSA-N 0 3 364.446 -0.258 20 0 FBADHN CN(CCN)C(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419437181 484754869 /nfs/dbraw/zinc/75/48/69/484754869.db2.gz MROSVBUQBIZMNH-UHFFFAOYSA-N 0 3 371.235 -0.288 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCCN1C(=O)COc2ccccc21)C1CC1 ZINC000419442779 484755098 /nfs/dbraw/zinc/75/50/98/484755098.db2.gz AIKODOVOHJWTLD-CYBMUJFWSA-N 0 3 360.414 -0.228 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCCN1C(=O)COc2ccccc21)C1CC1 ZINC000419442781 484754831 /nfs/dbraw/zinc/75/48/31/484754831.db2.gz AIKODOVOHJWTLD-ZDUSSCGKSA-N 0 3 360.414 -0.228 20 0 FBADHN O=C(NCCCN1C(=O)COc2ccccc21)C(=O)N1CCCNCC1 ZINC000419443012 484754757 /nfs/dbraw/zinc/75/47/57/484754757.db2.gz ASUFPXCPPNZSHH-UHFFFAOYSA-N 0 3 360.414 -0.260 20 0 FBADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c1 ZINC000419443965 484755255 /nfs/dbraw/zinc/75/52/55/484755255.db2.gz MGHQAGQJIKEOOU-BBRMVZONSA-N 0 3 362.430 -0.505 20 0 FBADHN COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c1 ZINC000419443966 484754946 /nfs/dbraw/zinc/75/49/46/484754946.db2.gz MGHQAGQJIKEOOU-CJNGLKHVSA-N 0 3 362.430 -0.505 20 0 FBADHN COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c1 ZINC000419443967 484754787 /nfs/dbraw/zinc/75/47/87/484754787.db2.gz MGHQAGQJIKEOOU-CZUORRHYSA-N 0 3 362.430 -0.505 20 0 FBADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c1 ZINC000419443968 484754801 /nfs/dbraw/zinc/75/48/01/484754801.db2.gz MGHQAGQJIKEOOU-XJKSGUPXSA-N 0 3 362.430 -0.505 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419444574 484755148 /nfs/dbraw/zinc/75/51/48/484755148.db2.gz DBNDYENODRCZPR-INIZCTEOSA-N 0 3 363.462 -0.361 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419444575 484755360 /nfs/dbraw/zinc/75/53/60/484755360.db2.gz DBNDYENODRCZPR-MRXNPFEDSA-N 0 3 363.462 -0.361 20 0 FBADHN COc1cccc(N2CC[C@@H](NC(=O)C(=O)N(CCN)CCO)C2)c1 ZINC000419445358 484755055 /nfs/dbraw/zinc/75/50/55/484755055.db2.gz NISCOYRMANLZTO-CYBMUJFWSA-N 0 3 350.419 -0.830 20 0 FBADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)N(CCN)CCO)C2)c1 ZINC000419445367 484755245 /nfs/dbraw/zinc/75/52/45/484755245.db2.gz NISCOYRMANLZTO-ZDUSSCGKSA-N 0 3 350.419 -0.830 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N(CCN)CCO)cc1Br ZINC000419448100 484755011 /nfs/dbraw/zinc/75/50/11/484755011.db2.gz VQPMVZFKWJOKFE-UHFFFAOYSA-N 0 3 374.235 -0.147 20 0 FBADHN O=C(CC1CCCCC1)NCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419448765 484755172 /nfs/dbraw/zinc/75/51/72/484755172.db2.gz WYTONKQACSTSML-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN O=C(CC1CCCCC1)NCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419448770 484756676 /nfs/dbraw/zinc/75/66/76/484756676.db2.gz WYTONKQACSTSML-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419455656 484756340 /nfs/dbraw/zinc/75/63/40/484756340.db2.gz PVIQDMYPXSHBQY-HNNXBMFYSA-N 0 3 363.462 -0.312 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419455657 484756606 /nfs/dbraw/zinc/75/66/06/484756606.db2.gz PVIQDMYPXSHBQY-OAHLLOKOSA-N 0 3 363.462 -0.312 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000419455735 484756515 /nfs/dbraw/zinc/75/65/15/484756515.db2.gz XQDXQTPBXQQTNJ-CYBMUJFWSA-N 0 3 360.414 -0.132 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000419455736 484756620 /nfs/dbraw/zinc/75/66/20/484756620.db2.gz XQDXQTPBXQQTNJ-ZDUSSCGKSA-N 0 3 360.414 -0.132 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCOc1ncccc1F ZINC000419469227 484753207 /nfs/dbraw/zinc/75/32/07/484753207.db2.gz CFUCDTVUAQKAQJ-CMPLNLGQSA-N 0 3 354.382 -0.055 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCOc1ncccc1F ZINC000419469234 484753977 /nfs/dbraw/zinc/75/39/77/484753977.db2.gz CFUCDTVUAQKAQJ-JQWIXIFHSA-N 0 3 354.382 -0.055 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCOc1ncccc1F ZINC000419469236 484753559 /nfs/dbraw/zinc/75/35/59/484753559.db2.gz CFUCDTVUAQKAQJ-PWSUYJOCSA-N 0 3 354.382 -0.055 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCOc1ncccc1F ZINC000419469237 484753129 /nfs/dbraw/zinc/75/31/29/484753129.db2.gz CFUCDTVUAQKAQJ-ZYHUDNBSSA-N 0 3 354.382 -0.055 20 0 FBADHN COc1cccc(COCCNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419473008 484759478 /nfs/dbraw/zinc/75/94/78/484759478.db2.gz IXAGZOIGXAPRLO-HNNXBMFYSA-N 0 3 351.403 -0.567 20 0 FBADHN COc1cccc(COCCNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419473009 484759649 /nfs/dbraw/zinc/75/96/49/484759649.db2.gz IXAGZOIGXAPRLO-OAHLLOKOSA-N 0 3 351.403 -0.567 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCCOc1ncccc1C(F)(F)F ZINC000419479316 484760324 /nfs/dbraw/zinc/76/03/24/484760324.db2.gz URKNKANHCCVLIG-UHFFFAOYSA-N 0 3 364.324 -0.625 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000419484811 484761117 /nfs/dbraw/zinc/76/11/17/484761117.db2.gz CSSBEBBKVLIMKO-CHWSQXEVSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000419484812 484761858 /nfs/dbraw/zinc/76/18/58/484761858.db2.gz CSSBEBBKVLIMKO-OLZOCXBDSA-N 0 3 360.480 -0.840 20 0 FBADHN C[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419485798 484761275 /nfs/dbraw/zinc/76/12/75/484761275.db2.gz DWBDUBMFEOFVRW-UHFFFAOYSA-N 0 3 368.868 -0.868 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC000419487150 484761631 /nfs/dbraw/zinc/76/16/31/484761631.db2.gz YTJICJSSMUYESL-KBPBESRZSA-N 0 3 356.467 -0.556 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC000419487155 484761045 /nfs/dbraw/zinc/76/10/45/484761045.db2.gz YTJICJSSMUYESL-KGLIPLIRSA-N 0 3 356.467 -0.556 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC000419487157 484761352 /nfs/dbraw/zinc/76/13/52/484761352.db2.gz YTJICJSSMUYESL-UONOGXRCSA-N 0 3 356.467 -0.556 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC000419487159 484761740 /nfs/dbraw/zinc/76/17/40/484761740.db2.gz YTJICJSSMUYESL-ZIAGYGMSSA-N 0 3 356.467 -0.556 20 0 FBADHN CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419487218 484761940 /nfs/dbraw/zinc/76/19/40/484761940.db2.gz ATPZPJFMDSBZAD-SNVBAGLBSA-N 0 3 362.477 -0.743 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)[C@@H]1CN ZINC000419488267 484761435 /nfs/dbraw/zinc/76/14/35/484761435.db2.gz HMKKBQMOHQBITJ-JHJVBQTASA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)[C@H]1CN ZINC000419488581 484761526 /nfs/dbraw/zinc/76/15/26/484761526.db2.gz HMKKBQMOHQBITJ-UPJWGTAASA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)[C@H]1CN ZINC000419488582 484760992 /nfs/dbraw/zinc/76/09/92/484760992.db2.gz HMKKBQMOHQBITJ-XQQFMLRXSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)[C@@H]1CN ZINC000419488583 484761018 /nfs/dbraw/zinc/76/10/18/484761018.db2.gz HMKKBQMOHQBITJ-YNEHKIRRSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419488592 484761600 /nfs/dbraw/zinc/76/16/00/484761600.db2.gz HNJOHVZKMJMYKG-SSDOTTSWSA-N 0 3 368.868 -0.741 20 0 FBADHN C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419488593 484761404 /nfs/dbraw/zinc/76/14/04/484761404.db2.gz HNJOHVZKMJMYKG-ZETCQYMHSA-N 0 3 368.868 -0.741 20 0 FBADHN O=C(NCC[N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419489267 484761831 /nfs/dbraw/zinc/76/18/31/484761831.db2.gz DDAXUSAMQWXCEP-JTQLQIEISA-N 0 3 360.461 -0.989 20 0 FBADHN O=C(NCC[N-]S(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419489268 484761505 /nfs/dbraw/zinc/76/15/05/484761505.db2.gz DDAXUSAMQWXCEP-SNVBAGLBSA-N 0 3 360.461 -0.989 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCC[C@@H]1CN)S(=O)(=O)c1cccs1 ZINC000419489783 484761418 /nfs/dbraw/zinc/76/14/18/484761418.db2.gz DQWDQVFPOVJHAO-LLVKDONJSA-N 0 3 374.488 -0.566 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCC[C@H]1CN)S(=O)(=O)c1cccs1 ZINC000419489788 484761654 /nfs/dbraw/zinc/76/16/54/484761654.db2.gz DQWDQVFPOVJHAO-NSHDSACASA-N 0 3 374.488 -0.566 20 0 FBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CCN)c(C)s1 ZINC000419489816 484761482 /nfs/dbraw/zinc/76/14/82/484761482.db2.gz DTDLNOKQKIEPDU-UHFFFAOYSA-N 0 3 362.477 -0.823 20 0 FBADHN CN(CCNC(=O)C(=O)N[C@H](CN)C1CC1)S(=O)(=O)c1cccs1 ZINC000419489824 484761163 /nfs/dbraw/zinc/76/11/63/484761163.db2.gz DTTHSMGZLMLNFK-LLVKDONJSA-N 0 3 374.488 -0.662 20 0 FBADHN CN(CCNC(=O)C(=O)N[C@@H](CN)C1CC1)S(=O)(=O)c1cccs1 ZINC000419490153 484761927 /nfs/dbraw/zinc/76/19/27/484761927.db2.gz DTTHSMGZLMLNFK-NSHDSACASA-N 0 3 374.488 -0.662 20 0 FBADHN [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419490658 484761662 /nfs/dbraw/zinc/76/16/62/484761662.db2.gz FGGMMWYFFIUMNV-JTQLQIEISA-N 0 3 360.461 -0.908 20 0 FBADHN [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419490659 484761700 /nfs/dbraw/zinc/76/17/00/484761700.db2.gz FGGMMWYFFIUMNV-SNVBAGLBSA-N 0 3 360.461 -0.908 20 0 FBADHN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419491121 484761065 /nfs/dbraw/zinc/76/10/65/484761065.db2.gz JONVPIFZENBUCX-KRWDZBQOSA-N 0 3 360.458 -0.002 20 0 FBADHN O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419491122 484761607 /nfs/dbraw/zinc/76/16/07/484761607.db2.gz JONVPIFZENBUCX-QGZVFWFLSA-N 0 3 360.458 -0.002 20 0 FBADHN [NH3+][C@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000419492164 484761770 /nfs/dbraw/zinc/76/17/70/484761770.db2.gz GVOYXFNZFUNPJB-JTQLQIEISA-N 0 3 360.461 -0.908 20 0 FBADHN [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000419492165 484761894 /nfs/dbraw/zinc/76/18/94/484761894.db2.gz GVOYXFNZFUNPJB-SNVBAGLBSA-N 0 3 360.461 -0.908 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419493320 484760927 /nfs/dbraw/zinc/76/09/27/484760927.db2.gz HXIKYTOLYLFGON-JTQLQIEISA-N 0 3 362.477 -0.710 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419493321 484761706 /nfs/dbraw/zinc/76/17/06/484761706.db2.gz HXIKYTOLYLFGON-SNVBAGLBSA-N 0 3 362.477 -0.710 20 0 FBADHN O=C(NCC[N-]S(=O)(=O)c1cccs1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419493932 484761905 /nfs/dbraw/zinc/76/19/05/484761905.db2.gz ITCPTJZHWFOFNW-LLVKDONJSA-N 0 3 374.488 -0.599 20 0 FBADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419495785 484763218 /nfs/dbraw/zinc/76/32/18/484763218.db2.gz KZWVSDNUEOXLLC-GHMZBOCLSA-N 0 3 374.488 -0.743 20 0 FBADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419495787 484763124 /nfs/dbraw/zinc/76/31/24/484763124.db2.gz KZWVSDNUEOXLLC-MNOVXSKESA-N 0 3 374.488 -0.743 20 0 FBADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419495788 484763410 /nfs/dbraw/zinc/76/34/10/484763410.db2.gz KZWVSDNUEOXLLC-QWRGUYRKSA-N 0 3 374.488 -0.743 20 0 FBADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419495789 484763257 /nfs/dbraw/zinc/76/32/57/484763257.db2.gz KZWVSDNUEOXLLC-WDEREUQCSA-N 0 3 374.488 -0.743 20 0 FBADHN C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419497002 484762980 /nfs/dbraw/zinc/76/29/80/484762980.db2.gz MNUHUSVCTNIFDH-JTQLQIEISA-N 0 3 362.477 -0.886 20 0 FBADHN C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419497003 484762810 /nfs/dbraw/zinc/76/28/10/484762810.db2.gz MNUHUSVCTNIFDH-SNVBAGLBSA-N 0 3 362.477 -0.886 20 0 FBADHN CCC[NH2+]CCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419497413 484763711 /nfs/dbraw/zinc/76/37/11/484763711.db2.gz MYDUZEZSRJUPMT-UHFFFAOYSA-N 0 3 362.477 -0.742 20 0 FBADHN [NH3+]CCCNC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419497613 484756583 /nfs/dbraw/zinc/75/65/83/484756583.db2.gz SIQQDQIDHFETBL-UHFFFAOYSA-N 0 3 368.868 -0.739 20 0 FBADHN CN(CC[NH3+])C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000419498866 484756796 /nfs/dbraw/zinc/75/67/96/484756796.db2.gz UXCMTMZJDVZNPH-UHFFFAOYSA-N 0 3 368.868 -0.787 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)N(CCN)CCO)N2CCCC2)o1 ZINC000419499220 484756575 /nfs/dbraw/zinc/75/65/75/484756575.db2.gz BEJOQJGIIFTQKC-AWEZNQCLSA-N 0 3 352.435 -0.379 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)N(CCN)CCO)N2CCCC2)o1 ZINC000419499221 484755881 /nfs/dbraw/zinc/75/58/81/484755881.db2.gz BEJOQJGIIFTQKC-CQSZACIVSA-N 0 3 352.435 -0.379 20 0 FBADHN [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419499599 484756737 /nfs/dbraw/zinc/75/67/37/484756737.db2.gz PFMCFQNFVFUPQT-LLVKDONJSA-N 0 3 374.488 -0.518 20 0 FBADHN [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419499600 484756110 /nfs/dbraw/zinc/75/61/10/484756110.db2.gz PFMCFQNFVFUPQT-NSHDSACASA-N 0 3 374.488 -0.518 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419499815 484756544 /nfs/dbraw/zinc/75/65/44/484756544.db2.gz WMTSXOKNEMEXQU-KGLIPLIRSA-N 0 3 374.507 -0.450 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419499816 484756842 /nfs/dbraw/zinc/75/68/42/484756842.db2.gz WMTSXOKNEMEXQU-ZIAGYGMSSA-N 0 3 374.507 -0.450 20 0 FBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NCCN)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000419499850 484756764 /nfs/dbraw/zinc/75/67/64/484756764.db2.gz YHJKWVMIGLJSJQ-AAEUAGOBSA-N 0 3 356.785 -0.058 20 0 FBADHN CN1C(=O)C[C@@H](NC(=O)C(=O)NCCN)[C@H]1c1ccc(Cl)c(F)c1 ZINC000419499851 484756643 /nfs/dbraw/zinc/75/66/43/484756643.db2.gz YHJKWVMIGLJSJQ-DGCLKSJQSA-N 0 3 356.785 -0.058 20 0 FBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NCCN)[C@H]1c1ccc(Cl)c(F)c1 ZINC000419499852 484756239 /nfs/dbraw/zinc/75/62/39/484756239.db2.gz YHJKWVMIGLJSJQ-WCQYABFASA-N 0 3 356.785 -0.058 20 0 FBADHN CN1C(=O)C[C@@H](NC(=O)C(=O)NCCN)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000419499853 484756306 /nfs/dbraw/zinc/75/63/06/484756306.db2.gz YHJKWVMIGLJSJQ-YPMHNXCESA-N 0 3 356.785 -0.058 20 0 FBADHN O=C(NCC[N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419500363 484757857 /nfs/dbraw/zinc/75/78/57/484757857.db2.gz QLIAZFJRXCHSLC-LLVKDONJSA-N 0 3 374.488 -0.599 20 0 FBADHN O=C(NCC[N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419500364 484758471 /nfs/dbraw/zinc/75/84/71/484758471.db2.gz QLIAZFJRXCHSLC-NSHDSACASA-N 0 3 374.488 -0.599 20 0 FBADHN [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419502156 484757946 /nfs/dbraw/zinc/75/79/46/484757946.db2.gz RVDCFIYXFLHFEA-GHMZBOCLSA-N 0 3 374.488 -0.614 20 0 FBADHN [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419502157 484757607 /nfs/dbraw/zinc/75/76/07/484757607.db2.gz RVDCFIYXFLHFEA-MNOVXSKESA-N 0 3 374.488 -0.614 20 0 FBADHN [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419502158 484758024 /nfs/dbraw/zinc/75/80/24/484758024.db2.gz RVDCFIYXFLHFEA-QWRGUYRKSA-N 0 3 374.488 -0.614 20 0 FBADHN [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419502159 484757850 /nfs/dbraw/zinc/75/78/50/484757850.db2.gz RVDCFIYXFLHFEA-WDEREUQCSA-N 0 3 374.488 -0.614 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000419502270 484757375 /nfs/dbraw/zinc/75/73/75/484757375.db2.gz ATJNWEQKGIAADR-BXUZGUMPSA-N 0 3 362.430 -0.327 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000419502276 484757591 /nfs/dbraw/zinc/75/75/91/484757591.db2.gz ATJNWEQKGIAADR-FZMZJTMJSA-N 0 3 362.430 -0.327 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000419502279 484757580 /nfs/dbraw/zinc/75/75/80/484757580.db2.gz ATJNWEQKGIAADR-RISCZKNCSA-N 0 3 362.430 -0.327 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000419502283 484758692 /nfs/dbraw/zinc/75/86/92/484758692.db2.gz ATJNWEQKGIAADR-SMDDNHRTSA-N 0 3 362.430 -0.327 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)N1 ZINC000419502403 484758247 /nfs/dbraw/zinc/75/82/47/484758247.db2.gz CYZYXVJKCTZNOQ-KFWWJZLASA-N 0 3 367.494 -0.746 20 0 FBADHN C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419503183 484758394 /nfs/dbraw/zinc/75/83/94/484758394.db2.gz SIZUDCNJIZZHTL-LLVKDONJSA-N 0 3 374.488 -0.647 20 0 FBADHN C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419503184 484757824 /nfs/dbraw/zinc/75/78/24/484757824.db2.gz SIZUDCNJIZZHTL-NSHDSACASA-N 0 3 374.488 -0.647 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCCNCC1)S(=O)(=O)c1cccs1 ZINC000419503204 484758005 /nfs/dbraw/zinc/75/80/05/484758005.db2.gz SLQVVHLIBAOULA-UHFFFAOYSA-N 0 3 374.488 -0.693 20 0 FBADHN C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419505364 484757776 /nfs/dbraw/zinc/75/77/76/484757776.db2.gz VFMMJTKXMDSFCS-GHMZBOCLSA-N 0 3 374.488 -0.601 20 0 FBADHN C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419505366 484757548 /nfs/dbraw/zinc/75/75/48/484757548.db2.gz VFMMJTKXMDSFCS-MNOVXSKESA-N 0 3 374.488 -0.601 20 0 FBADHN C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419505367 484758644 /nfs/dbraw/zinc/75/86/44/484758644.db2.gz VFMMJTKXMDSFCS-QWRGUYRKSA-N 0 3 374.488 -0.601 20 0 FBADHN C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419505369 484757871 /nfs/dbraw/zinc/75/78/71/484757871.db2.gz VFMMJTKXMDSFCS-WDEREUQCSA-N 0 3 374.488 -0.601 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419505441 484758732 /nfs/dbraw/zinc/75/87/32/484758732.db2.gz VOLRJLGYVYGZCE-GFCCVEGCSA-N 0 3 371.463 -0.890 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419505442 484757711 /nfs/dbraw/zinc/75/77/11/484757711.db2.gz VOLRJLGYVYGZCE-LBPRGKRZSA-N 0 3 371.463 -0.890 20 0 FBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)CN)c(C)s1 ZINC000419505451 484758041 /nfs/dbraw/zinc/75/80/41/484758041.db2.gz VQYJTLNIPYRPKO-MRVPVSSYSA-N 0 3 362.477 -0.777 20 0 FBADHN Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)CN)c(C)s1 ZINC000419505452 484757865 /nfs/dbraw/zinc/75/78/65/484757865.db2.gz VQYJTLNIPYRPKO-QMMMGPOBSA-N 0 3 362.477 -0.777 20 0 FBADHN CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419505838 484758573 /nfs/dbraw/zinc/75/85/73/484758573.db2.gz VXYCLYLAWLTKNC-JTQLQIEISA-N 0 3 362.477 -0.758 20 0 FBADHN CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000419505839 484758204 /nfs/dbraw/zinc/75/82/04/484758204.db2.gz VXYCLYLAWLTKNC-SNVBAGLBSA-N 0 3 362.477 -0.758 20 0 FBADHN 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/nfs/dbraw/zinc/76/75/01/484767501.db2.gz UEEQMQOQKHETFP-IUODEOHRSA-N 0 3 353.419 -0.333 20 0 FBADHN COc1ccc([C@H](OC)[C@H](C)NC(=O)C(=O)N(CCN)CCO)cc1 ZINC000419616813 484767264 /nfs/dbraw/zinc/76/72/64/484767264.db2.gz UEEQMQOQKHETFP-SWLSCSKDSA-N 0 3 353.419 -0.333 20 0 FBADHN COc1ccc([C@@H](OC)[C@H](C)NC(=O)C(=O)N(CCN)CCO)cc1 ZINC000419616814 484767615 /nfs/dbraw/zinc/76/76/15/484767615.db2.gz UEEQMQOQKHETFP-WFASDCNBSA-N 0 3 353.419 -0.333 20 0 FBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419621088 484768039 /nfs/dbraw/zinc/76/80/39/484768039.db2.gz RGCYTGRUVJVJCF-DOMZBBRYSA-N 0 3 351.403 -0.317 20 0 FBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419621090 484768149 /nfs/dbraw/zinc/76/81/49/484768149.db2.gz RGCYTGRUVJVJCF-IUODEOHRSA-N 0 3 351.403 -0.317 20 0 FBADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419621092 484767466 /nfs/dbraw/zinc/76/74/66/484767466.db2.gz RGCYTGRUVJVJCF-SWLSCSKDSA-N 0 3 351.403 -0.317 20 0 FBADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419621095 484767628 /nfs/dbraw/zinc/76/76/28/484767628.db2.gz RGCYTGRUVJVJCF-WFASDCNBSA-N 0 3 351.403 -0.317 20 0 FBADHN COC[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)OC ZINC000419622654 484768049 /nfs/dbraw/zinc/76/80/49/484768049.db2.gz HCNMUVWPAVZWMZ-QLFBSQMISA-N 0 3 353.394 -0.144 20 0 FBADHN COC[C@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)OC ZINC000419622655 484767874 /nfs/dbraw/zinc/76/78/74/484767874.db2.gz HCNMUVWPAVZWMZ-SOUVJXGZSA-N 0 3 353.394 -0.144 20 0 FBADHN COC[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)OC ZINC000419630666 484773830 /nfs/dbraw/zinc/77/38/30/484773830.db2.gz UFPQKSPPSKAWKH-CORIIIEPSA-N 0 3 353.394 -0.144 20 0 FBADHN COC[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)OC ZINC000419630667 484773316 /nfs/dbraw/zinc/77/33/16/484773316.db2.gz UFPQKSPPSKAWKH-OSAQELSMSA-N 0 3 353.394 -0.144 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419632120 484773936 /nfs/dbraw/zinc/77/39/36/484773936.db2.gz OVTCJTSOBGFHKV-GWCFXTLKSA-N 0 3 367.450 -0.164 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419632123 484773759 /nfs/dbraw/zinc/77/37/59/484773759.db2.gz OVTCJTSOBGFHKV-GXFFZTMASA-N 0 3 367.450 -0.164 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419632125 484773219 /nfs/dbraw/zinc/77/32/19/484773219.db2.gz OVTCJTSOBGFHKV-MFKMUULPSA-N 0 3 367.450 -0.164 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419632127 484773919 /nfs/dbraw/zinc/77/39/19/484773919.db2.gz OVTCJTSOBGFHKV-ZWNOBZJWSA-N 0 3 367.450 -0.164 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1c1ccccc1 ZINC000419635285 484770746 /nfs/dbraw/zinc/77/07/46/484770746.db2.gz BXQRLGJGZHDTRZ-UONOGXRCSA-N 0 3 370.413 -0.791 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)O1 ZINC000419638002 484770805 /nfs/dbraw/zinc/77/08/05/484770805.db2.gz TVYYDDZDOJHCJP-ILXRZTDVSA-N 0 3 368.478 -0.238 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)O1 ZINC000419638005 484770865 /nfs/dbraw/zinc/77/08/65/484770865.db2.gz TVYYDDZDOJHCJP-KFWWJZLASA-N 0 3 368.478 -0.238 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)O1 ZINC000419638009 484770760 /nfs/dbraw/zinc/77/07/60/484770760.db2.gz TVYYDDZDOJHCJP-KKUMJFAQSA-N 0 3 368.478 -0.238 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)O1 ZINC000419638011 484770376 /nfs/dbraw/zinc/77/03/76/484770376.db2.gz TVYYDDZDOJHCJP-ZNMIVQPWSA-N 0 3 368.478 -0.238 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419638029 484770781 /nfs/dbraw/zinc/77/07/81/484770781.db2.gz TTXVGSAPWIBWGL-NXEZZACHSA-N 0 3 354.357 -0.008 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419638030 484770433 /nfs/dbraw/zinc/77/04/33/484770433.db2.gz TTXVGSAPWIBWGL-UWVGGRQHSA-N 0 3 354.357 -0.008 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419638031 484770422 /nfs/dbraw/zinc/77/04/22/484770422.db2.gz TTXVGSAPWIBWGL-VHSXEESVSA-N 0 3 354.357 -0.008 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419638032 484770412 /nfs/dbraw/zinc/77/04/12/484770412.db2.gz TTXVGSAPWIBWGL-ZJUUUORDSA-N 0 3 354.357 -0.008 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000419641865 484770566 /nfs/dbraw/zinc/77/05/66/484770566.db2.gz LIYPEXATLXFUTE-BXUZGUMPSA-N 0 3 368.384 -0.269 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000419641866 484770538 /nfs/dbraw/zinc/77/05/38/484770538.db2.gz LIYPEXATLXFUTE-FZMZJTMJSA-N 0 3 368.384 -0.269 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000419641867 484770477 /nfs/dbraw/zinc/77/04/77/484770477.db2.gz LIYPEXATLXFUTE-RISCZKNCSA-N 0 3 368.384 -0.269 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000419641869 484770676 /nfs/dbraw/zinc/77/06/76/484770676.db2.gz LIYPEXATLXFUTE-SMDDNHRTSA-N 0 3 368.384 -0.269 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)n1 ZINC000419643077 484770175 /nfs/dbraw/zinc/77/01/75/484770175.db2.gz NYKXKJPXJHEANJ-AAEUAGOBSA-N 0 3 350.419 -0.022 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)n1 ZINC000419643080 484770344 /nfs/dbraw/zinc/77/03/44/484770344.db2.gz NYKXKJPXJHEANJ-DGCLKSJQSA-N 0 3 350.419 -0.022 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)n1 ZINC000419643082 484770878 /nfs/dbraw/zinc/77/08/78/484770878.db2.gz NYKXKJPXJHEANJ-WCQYABFASA-N 0 3 350.419 -0.022 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)n1 ZINC000419643085 484770362 /nfs/dbraw/zinc/77/03/62/484770362.db2.gz NYKXKJPXJHEANJ-YPMHNXCESA-N 0 3 350.419 -0.022 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1CN ZINC000419643561 484770891 /nfs/dbraw/zinc/77/08/91/484770891.db2.gz XJVVADXKBMUTSY-RFGFWPKPSA-N 0 3 354.451 -0.676 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H]1CN ZINC000419643564 484770961 /nfs/dbraw/zinc/77/09/61/484770961.db2.gz XJVVADXKBMUTSY-RQJABVFESA-N 0 3 354.451 -0.676 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)[C@@H]1CN ZINC000419643566 484770098 /nfs/dbraw/zinc/77/00/98/484770098.db2.gz XJVVADXKBMUTSY-XJFOESAGSA-N 0 3 354.451 -0.676 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)[C@H]1CN ZINC000419643568 484770273 /nfs/dbraw/zinc/77/02/73/484770273.db2.gz XJVVADXKBMUTSY-ZOBORPQBSA-N 0 3 354.451 -0.676 20 0 FBADHN COc1ccc([C@H]2CCNC[C@@H]2NC(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000419647133 484770935 /nfs/dbraw/zinc/77/09/35/484770935.db2.gz QYAAHMGWZCBKOP-CABCVRRESA-N 0 3 362.430 -0.539 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000419647135 484770918 /nfs/dbraw/zinc/77/09/18/484770918.db2.gz QYAAHMGWZCBKOP-GJZGRUSLSA-N 0 3 362.430 -0.539 20 0 FBADHN COc1ccc([C@H]2CCNC[C@H]2NC(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000419647136 484770947 /nfs/dbraw/zinc/77/09/47/484770947.db2.gz QYAAHMGWZCBKOP-HUUCEWRRSA-N 0 3 362.430 -0.539 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000419647137 484770981 /nfs/dbraw/zinc/77/09/81/484770981.db2.gz QYAAHMGWZCBKOP-LSDHHAIUSA-N 0 3 362.430 -0.539 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C1CCCCC1 ZINC000419652527 484771777 /nfs/dbraw/zinc/77/17/77/484771777.db2.gz URUGDZBYFCUTNA-CYBMUJFWSA-N 0 3 350.423 -0.721 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C1CCCCC1 ZINC000419652536 484771879 /nfs/dbraw/zinc/77/18/79/484771879.db2.gz URUGDZBYFCUTNA-ZDUSSCGKSA-N 0 3 350.423 -0.721 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000419658583 484772392 /nfs/dbraw/zinc/77/23/92/484772392.db2.gz ZYNDVPPDZBENEA-UHFFFAOYSA-N 0 3 358.402 -0.757 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419659331 484771851 /nfs/dbraw/zinc/77/18/51/484771851.db2.gz ANHZWLLENPEHSZ-CHWSQXEVSA-N 0 3 364.450 -0.335 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419659332 484772372 /nfs/dbraw/zinc/77/23/72/484772372.db2.gz ANHZWLLENPEHSZ-OLZOCXBDSA-N 0 3 364.450 -0.335 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419659333 484771789 /nfs/dbraw/zinc/77/17/89/484771789.db2.gz ANHZWLLENPEHSZ-QWHCGFSZSA-N 0 3 364.450 -0.335 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419659334 484772187 /nfs/dbraw/zinc/77/21/87/484772187.db2.gz ANHZWLLENPEHSZ-STQMWFEESA-N 0 3 364.450 -0.335 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419660587 484771470 /nfs/dbraw/zinc/77/14/70/484771470.db2.gz CQHKIKOKMJAZKY-CHWSQXEVSA-N 0 3 364.450 -0.479 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419660588 484772344 /nfs/dbraw/zinc/77/23/44/484772344.db2.gz CQHKIKOKMJAZKY-OLZOCXBDSA-N 0 3 364.450 -0.479 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419660589 484772102 /nfs/dbraw/zinc/77/21/02/484772102.db2.gz CQHKIKOKMJAZKY-QWHCGFSZSA-N 0 3 364.450 -0.479 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419660590 484772427 /nfs/dbraw/zinc/77/24/27/484772427.db2.gz CQHKIKOKMJAZKY-STQMWFEESA-N 0 3 364.450 -0.479 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000419665083 484771695 /nfs/dbraw/zinc/77/16/95/484771695.db2.gz KFNLSCGFNULLML-BPLDGKMQSA-N 0 3 360.414 -0.599 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000419665085 484771720 /nfs/dbraw/zinc/77/17/20/484771720.db2.gz KFNLSCGFNULLML-SNPRPXQTSA-N 0 3 360.414 -0.599 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000419665087 484771951 /nfs/dbraw/zinc/77/19/51/484771951.db2.gz KFNLSCGFNULLML-VHDGCEQUSA-N 0 3 360.414 -0.599 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000419665088 484772481 /nfs/dbraw/zinc/77/24/81/484772481.db2.gz KFNLSCGFNULLML-YUELXQCFSA-N 0 3 360.414 -0.599 20 0 FBADHN NCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000419665093 484772417 /nfs/dbraw/zinc/77/24/17/484772417.db2.gz KFYLKSXZCTWWBY-GFCCVEGCSA-N 0 3 370.356 -0.026 20 0 FBADHN NCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000419665094 484771579 /nfs/dbraw/zinc/77/15/79/484771579.db2.gz KFYLKSXZCTWWBY-LBPRGKRZSA-N 0 3 370.356 -0.026 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419668482 484772293 /nfs/dbraw/zinc/77/22/93/484772293.db2.gz AKJKDZXWYPTAGQ-GFCCVEGCSA-N 0 3 350.485 -0.736 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419668485 484771839 /nfs/dbraw/zinc/77/18/39/484771839.db2.gz AKJKDZXWYPTAGQ-LBPRGKRZSA-N 0 3 350.485 -0.736 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419668952 484771594 /nfs/dbraw/zinc/77/15/94/484771594.db2.gz BAVNADFHRRLMFW-AWEZNQCLSA-N 0 3 370.475 -0.410 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419668953 484772132 /nfs/dbraw/zinc/77/21/32/484772132.db2.gz BAVNADFHRRLMFW-CQSZACIVSA-N 0 3 370.475 -0.410 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000419669974 484771650 /nfs/dbraw/zinc/77/16/50/484771650.db2.gz BWJYKALDECZCDJ-CYBMUJFWSA-N 0 3 362.496 -0.592 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000419669976 484772145 /nfs/dbraw/zinc/77/21/45/484772145.db2.gz BWJYKALDECZCDJ-ZDUSSCGKSA-N 0 3 362.496 -0.592 20 0 FBADHN COc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c2ccccc2n1 ZINC000419673932 484773033 /nfs/dbraw/zinc/77/30/33/484773033.db2.gz NFBZIIPNBLOIAI-CYBMUJFWSA-N 0 3 358.398 -0.036 20 0 FBADHN COc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c2ccccc2n1 ZINC000419673933 484773459 /nfs/dbraw/zinc/77/34/59/484773459.db2.gz NFBZIIPNBLOIAI-ZDUSSCGKSA-N 0 3 358.398 -0.036 20 0 FBADHN C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCOCC1 ZINC000419681695 484779684 /nfs/dbraw/zinc/77/96/84/484779684.db2.gz ITNRQZUIBQYTMB-CRWXNKLISA-N 0 3 356.467 -0.559 20 0 FBADHN C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)N1CCOCC1 ZINC000419681697 484779747 /nfs/dbraw/zinc/77/97/47/484779747.db2.gz ITNRQZUIBQYTMB-DGAVXFQQSA-N 0 3 356.467 -0.559 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000419681698 484779057 /nfs/dbraw/zinc/77/90/57/484779057.db2.gz ITNRQZUIBQYTMB-FQUUOJAGSA-N 0 3 356.467 -0.559 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[C@H](C)N1CCOCC1 ZINC000419681700 484779202 /nfs/dbraw/zinc/77/92/02/484779202.db2.gz ITNRQZUIBQYTMB-XUXIUFHCSA-N 0 3 356.467 -0.559 20 0 FBADHN COc1ccc(-c2n[nH]c(CNC(=O)C(=O)N3CCN[C@H](C)C3)n2)cc1 ZINC000419682836 484779571 /nfs/dbraw/zinc/77/95/71/484779571.db2.gz KGGZRTJXOGQCGT-LLVKDONJSA-N 0 3 358.402 -0.083 20 0 FBADHN COc1ccc(-c2nnc(CNC(=O)C(=O)N3CCN[C@H](C)C3)[nH]2)cc1 ZINC000419682836 484779566 /nfs/dbraw/zinc/77/95/66/484779566.db2.gz KGGZRTJXOGQCGT-LLVKDONJSA-N 0 3 358.402 -0.083 20 0 FBADHN COc1ccc(-c2n[nH]c(CNC(=O)C(=O)N3CCN[C@@H](C)C3)n2)cc1 ZINC000419682838 484779803 /nfs/dbraw/zinc/77/98/03/484779803.db2.gz KGGZRTJXOGQCGT-NSHDSACASA-N 0 3 358.402 -0.083 20 0 FBADHN COc1ccc(-c2nnc(CNC(=O)C(=O)N3CCN[C@@H](C)C3)[nH]2)cc1 ZINC000419682838 484779797 /nfs/dbraw/zinc/77/97/97/484779797.db2.gz KGGZRTJXOGQCGT-NSHDSACASA-N 0 3 358.402 -0.083 20 0 FBADHN CN(C)C(=O)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419684389 484773892 /nfs/dbraw/zinc/77/38/92/484773892.db2.gz LXFRXWLTUMGXDO-GXTWGEPZSA-N 0 3 350.394 -0.327 20 0 FBADHN Cn1cc(CCNC(=O)C(=O)N(CCN)CCO)c2ccc(F)cc21 ZINC000419684769 484773269 /nfs/dbraw/zinc/77/32/69/484773269.db2.gz WLOZHZKUCUEKKP-UHFFFAOYSA-N 0 3 350.394 -0.244 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)C[C@H]1c1ccccc1 ZINC000419685734 484775095 /nfs/dbraw/zinc/77/50/95/484775095.db2.gz XWGJFUODSWSDLU-LSDHHAIUSA-N 0 3 369.429 -0.347 20 0 FBADHN NCCNC(=O)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000419685742 484775501 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ZINC000419689792 484775424 /nfs/dbraw/zinc/77/54/24/484775424.db2.gz UKABYHXDOCQGDV-NSHDSACASA-N 0 3 358.402 -0.083 20 0 FBADHN COc1ccc(-c2nnc(CNC(=O)C(=O)N3CCNC[C@@H]3C)[nH]2)cc1 ZINC000419689792 484775417 /nfs/dbraw/zinc/77/54/17/484775417.db2.gz UKABYHXDOCQGDV-NSHDSACASA-N 0 3 358.402 -0.083 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000419690211 484775313 /nfs/dbraw/zinc/77/53/13/484775313.db2.gz BWYJPDRKRXPOSX-CYBMUJFWSA-N 0 3 362.496 -0.592 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000419690212 484775296 /nfs/dbraw/zinc/77/52/96/484775296.db2.gz BWYJPDRKRXPOSX-ZDUSSCGKSA-N 0 3 362.496 -0.592 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCc1ccc(Br)s1 ZINC000419691018 484774930 /nfs/dbraw/zinc/77/49/30/484774930.db2.gz LRXFWJRGLUAKJD-UHFFFAOYSA-N 0 3 350.238 -0.094 20 0 FBADHN NCCN(CCO)C(=O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000419695852 484775117 /nfs/dbraw/zinc/77/51/17/484775117.db2.gz TVCJMYULBLEPHV-UHFFFAOYSA-N 0 3 358.508 -0.756 20 0 FBADHN COc1ccc(OC)c(CCCNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419696365 484774653 /nfs/dbraw/zinc/77/46/53/484774653.db2.gz MKRSICSYDLRHTE-HNNXBMFYSA-N 0 3 365.430 -0.143 20 0 FBADHN COc1ccc(OC)c(CCCNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419696366 484774447 /nfs/dbraw/zinc/77/44/47/484774447.db2.gz MKRSICSYDLRHTE-OAHLLOKOSA-N 0 3 365.430 -0.143 20 0 FBADHN COCCNCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000419697345 484775482 /nfs/dbraw/zinc/77/54/82/484775482.db2.gz WRNYFYRDSPIRNG-UHFFFAOYSA-N 0 3 372.535 -0.184 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419699288 484775281 /nfs/dbraw/zinc/77/52/81/484775281.db2.gz WBEGAEBREMBRGR-GFCCVEGCSA-N 0 3 350.485 -0.736 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419699289 484774463 /nfs/dbraw/zinc/77/44/63/484774463.db2.gz WBEGAEBREMBRGR-LBPRGKRZSA-N 0 3 350.485 -0.736 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000419699624 484776127 /nfs/dbraw/zinc/77/61/27/484776127.db2.gz WSKUDOGWXSQLMM-CHWSQXEVSA-N 0 3 362.496 -0.640 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000419699625 484776275 /nfs/dbraw/zinc/77/62/75/484776275.db2.gz WSKUDOGWXSQLMM-OLZOCXBDSA-N 0 3 362.496 -0.640 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000419699626 484776404 /nfs/dbraw/zinc/77/64/04/484776404.db2.gz WSKUDOGWXSQLMM-QWHCGFSZSA-N 0 3 362.496 -0.640 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000419699627 484776931 /nfs/dbraw/zinc/77/69/31/484776931.db2.gz WSKUDOGWXSQLMM-STQMWFEESA-N 0 3 362.496 -0.640 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCN1CCCCC1=O ZINC000419700897 484776592 /nfs/dbraw/zinc/77/65/92/484776592.db2.gz YMCJIRDVLXEELZ-CHWSQXEVSA-N 0 3 354.451 -0.266 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1CCCCC1=O ZINC000419700901 484776627 /nfs/dbraw/zinc/77/66/27/484776627.db2.gz YMCJIRDVLXEELZ-OLZOCXBDSA-N 0 3 354.451 -0.266 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCN1CCCCC1=O ZINC000419700905 484777009 /nfs/dbraw/zinc/77/70/09/484777009.db2.gz YMCJIRDVLXEELZ-QWHCGFSZSA-N 0 3 354.451 -0.266 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1CCCCC1=O ZINC000419700907 484776418 /nfs/dbraw/zinc/77/64/18/484776418.db2.gz YMCJIRDVLXEELZ-STQMWFEESA-N 0 3 354.451 -0.266 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000419702219 484775907 /nfs/dbraw/zinc/77/59/07/484775907.db2.gz FITVPYIWZMXZRL-ABAIWWIYSA-N 0 3 374.441 -0.182 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000419702227 484776548 /nfs/dbraw/zinc/77/65/48/484776548.db2.gz FITVPYIWZMXZRL-IAQYHMDHSA-N 0 3 374.441 -0.182 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000419702229 484775921 /nfs/dbraw/zinc/77/59/21/484775921.db2.gz FITVPYIWZMXZRL-NHYWBVRUSA-N 0 3 374.441 -0.182 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000419702232 484776917 /nfs/dbraw/zinc/77/69/17/484776917.db2.gz FITVPYIWZMXZRL-XHDPSFHLSA-N 0 3 374.441 -0.182 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000419703146 484776653 /nfs/dbraw/zinc/77/66/53/484776653.db2.gz CNXCFVQTJAFNCT-IXDOHACOSA-N 0 3 360.458 -0.223 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000419703148 484776098 /nfs/dbraw/zinc/77/60/98/484776098.db2.gz CNXCFVQTJAFNCT-YESZJQIVSA-N 0 3 360.458 -0.223 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000419703635 484776339 /nfs/dbraw/zinc/77/63/39/484776339.db2.gz DOIUDTFHVIVHLD-LLVKDONJSA-N 0 3 355.826 -0.791 20 0 FBADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000419703636 484776002 /nfs/dbraw/zinc/77/60/02/484776002.db2.gz DOIUDTFHVIVHLD-NSHDSACASA-N 0 3 355.826 -0.791 20 0 FBADHN O=C(NCc1cc(Cl)cc2c1OCC2)C(=O)NC[C@H]1CNCCO1 ZINC000419704325 484776573 /nfs/dbraw/zinc/77/65/73/484776573.db2.gz HMNSXCNNOIPWKR-CYBMUJFWSA-N 0 3 353.806 -0.004 20 0 FBADHN 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/nfs/dbraw/zinc/77/67/55/484776755.db2.gz FYZXLZJQADRAMF-GFCCVEGCSA-N 0 3 367.450 -0.399 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419707763 484776329 /nfs/dbraw/zinc/77/63/29/484776329.db2.gz FYZXLZJQADRAMF-LBPRGKRZSA-N 0 3 367.450 -0.399 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419712379 484776242 /nfs/dbraw/zinc/77/62/42/484776242.db2.gz PISSRTDNFLGBKM-GFCCVEGCSA-N 0 3 365.434 -0.693 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419712380 484776689 /nfs/dbraw/zinc/77/66/89/484776689.db2.gz PISSRTDNFLGBKM-LBPRGKRZSA-N 0 3 365.434 -0.693 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000419714334 484778040 /nfs/dbraw/zinc/77/80/40/484778040.db2.gz XLYJEOPJOXLRIU-GFCCVEGCSA-N 0 3 369.853 -0.218 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000419714335 484778307 /nfs/dbraw/zinc/77/83/07/484778307.db2.gz XLYJEOPJOXLRIU-LBPRGKRZSA-N 0 3 369.853 -0.218 20 0 FBADHN 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O=C(NCCCNCc1cccnc1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000419847861 484792657 /nfs/dbraw/zinc/79/26/57/484792657.db2.gz JTDQGIQVTNQLME-HOTGVXAUSA-N 0 3 373.457 -0.053 20 0 FBADHN O=C(NCCCNCc1cccnc1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000419847863 484792948 /nfs/dbraw/zinc/79/29/48/484792948.db2.gz JTDQGIQVTNQLME-HZPDHXFCSA-N 0 3 373.457 -0.053 20 0 FBADHN O=C(NCCCNCc1cccnc1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000419847865 484792677 /nfs/dbraw/zinc/79/26/77/484792677.db2.gz JTDQGIQVTNQLME-JKSUJKDBSA-N 0 3 373.457 -0.053 20 0 FBADHN CCN1CCN(C(=O)C(=O)NCCCNCc2cccnc2)[C@@H](C)C1=O ZINC000419848130 484793442 /nfs/dbraw/zinc/79/34/42/484793442.db2.gz KKMWQNJDRUIPDF-AWEZNQCLSA-N 0 3 361.446 -0.243 20 0 FBADHN CCN1CCN(C(=O)C(=O)NCCCNCc2cccnc2)[C@H](C)C1=O ZINC000419848132 484792707 /nfs/dbraw/zinc/79/27/07/484792707.db2.gz KKMWQNJDRUIPDF-CQSZACIVSA-N 0 3 361.446 -0.243 20 0 FBADHN COCCN1CCN(C(=O)C(=O)NCCCNCc2cccnc2)CC1 ZINC000419848144 484793584 /nfs/dbraw/zinc/79/35/84/484793584.db2.gz KLLDMHNCPXEXPV-UHFFFAOYSA-N 0 3 363.462 -0.532 20 0 FBADHN O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419848864 484793686 /nfs/dbraw/zinc/79/36/86/484793686.db2.gz XHUDWGZXXWGTJM-AWEZNQCLSA-N 0 3 360.414 -0.455 20 0 FBADHN O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419848866 484792828 /nfs/dbraw/zinc/79/28/28/484792828.db2.gz XHUDWGZXXWGTJM-CQSZACIVSA-N 0 3 360.414 -0.455 20 0 FBADHN O=C(NCCCNCc1cccnc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000419850615 484792983 /nfs/dbraw/zinc/79/29/83/484792983.db2.gz LZQOODAWRNGMIT-UHFFFAOYSA-N 0 3 373.457 -0.195 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)NCCCNCc2cccnc2)C[C@@H]1OC ZINC000419854751 484794561 /nfs/dbraw/zinc/79/45/61/484794561.db2.gz VYIOVEXVSAQFLT-GASCZTMLSA-N 0 3 350.419 -0.450 20 0 FBADHN CO[C@H]1CN(C(=O)C(=O)NCCCNCc2cccnc2)C[C@@H]1OC ZINC000419854752 484794204 /nfs/dbraw/zinc/79/42/04/484794204.db2.gz VYIOVEXVSAQFLT-GJZGRUSLSA-N 0 3 350.419 -0.450 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)NCCCNCc2cccnc2)C[C@H]1OC ZINC000419854753 484794139 /nfs/dbraw/zinc/79/41/39/484794139.db2.gz VYIOVEXVSAQFLT-HUUCEWRRSA-N 0 3 350.419 -0.450 20 0 FBADHN O=C(NCCCNCc1cccnc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000419855758 484794536 /nfs/dbraw/zinc/79/45/36/484794536.db2.gz WVYUZRSEZNXOMT-UHFFFAOYSA-N 0 3 359.430 -0.586 20 0 FBADHN O=C(NCCCNCc1cccnc1)C(=O)NCCN1CCSCC1 ZINC000419855873 484794293 /nfs/dbraw/zinc/79/42/93/484794293.db2.gz XEPHKMBOQUETCW-UHFFFAOYSA-N 0 3 365.503 -0.158 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NCCCNCc2cccnc2)CC1=O ZINC000419856792 484794826 /nfs/dbraw/zinc/79/48/26/484794826.db2.gz YGUPCHWEWCCONZ-UHFFFAOYSA-N 0 3 361.446 -0.242 20 0 FBADHN O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419857469 484794897 /nfs/dbraw/zinc/79/48/97/484794897.db2.gz UTEUFDKSQHTHGW-UHFFFAOYSA-N 0 3 374.441 -0.065 20 0 FBADHN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000419864247 484797039 /nfs/dbraw/zinc/79/70/39/484797039.db2.gz OLMMIGCNZYUWJO-HNNXBMFYSA-N 0 3 360.414 -0.470 20 0 FBADHN [NH3+][C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000419864248 484796872 /nfs/dbraw/zinc/79/68/72/484796872.db2.gz OLMMIGCNZYUWJO-OAHLLOKOSA-N 0 3 360.414 -0.470 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1 ZINC000419880407 484801032 /nfs/dbraw/zinc/80/10/32/484801032.db2.gz HMIUIDSQYDKGNL-KCXAZCMYSA-N 0 3 374.441 -0.396 20 0 FBADHN O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419880648 484801516 /nfs/dbraw/zinc/80/15/16/484801516.db2.gz ABJHYLZDWXYZRK-AWEZNQCLSA-N 0 3 360.414 -0.455 20 0 FBADHN O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419880650 484801611 /nfs/dbraw/zinc/80/16/11/484801611.db2.gz ABJHYLZDWXYZRK-CQSZACIVSA-N 0 3 360.414 -0.455 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1 ZINC000419880808 484800602 /nfs/dbraw/zinc/80/06/02/484800602.db2.gz HMIUIDSQYDKGNL-RCBQFDQVSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1 ZINC000419880809 484801088 /nfs/dbraw/zinc/80/10/88/484801088.db2.gz HMIUIDSQYDKGNL-UHOFOFEASA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1 ZINC000419880810 484800748 /nfs/dbraw/zinc/80/07/48/484800748.db2.gz HMIUIDSQYDKGNL-VBNZEHGJSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@H]2CCNC[C@@H]2NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC000419881688 484800991 /nfs/dbraw/zinc/80/09/91/484800991.db2.gz IBVVVFSIHUMERO-CVEARBPZSA-N 0 3 374.441 -0.395 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC000419881692 484800927 /nfs/dbraw/zinc/80/09/27/484800927.db2.gz IBVVVFSIHUMERO-HOTGVXAUSA-N 0 3 374.441 -0.395 20 0 FBADHN COc1ccc([C@H]2CCNC[C@H]2NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC000419881695 484800620 /nfs/dbraw/zinc/80/06/20/484800620.db2.gz IBVVVFSIHUMERO-HZPDHXFCSA-N 0 3 374.441 -0.395 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC000419881698 484801189 /nfs/dbraw/zinc/80/11/89/484801189.db2.gz IBVVVFSIHUMERO-JKSUJKDBSA-N 0 3 374.441 -0.395 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000419896809 484803834 /nfs/dbraw/zinc/80/38/34/484803834.db2.gz QFPKDXCNROFEPI-DLBZAZTESA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@H]2CCNC[C@H]2NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000419896811 484804061 /nfs/dbraw/zinc/80/40/61/484804061.db2.gz QFPKDXCNROFEPI-IAGOWNOFSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000419896813 484804201 /nfs/dbraw/zinc/80/42/01/484804201.db2.gz QFPKDXCNROFEPI-IRXDYDNUSA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@H]2CCNC[C@@H]2NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000419896815 484803686 /nfs/dbraw/zinc/80/36/86/484803686.db2.gz QFPKDXCNROFEPI-SJORKVTESA-N 0 3 374.441 -0.396 20 0 FBADHN COc1ccc([C@H]2CCNC[C@@H]2NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000419900599 484805338 /nfs/dbraw/zinc/80/53/38/484805338.db2.gz SRSHFQVXWCWBOT-CABCVRRESA-N 0 3 360.414 -0.785 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000419900601 484805167 /nfs/dbraw/zinc/80/51/67/484805167.db2.gz SRSHFQVXWCWBOT-GJZGRUSLSA-N 0 3 360.414 -0.785 20 0 FBADHN COc1ccc([C@H]2CCNC[C@H]2NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000419900603 484805327 /nfs/dbraw/zinc/80/53/27/484805327.db2.gz SRSHFQVXWCWBOT-HUUCEWRRSA-N 0 3 360.414 -0.785 20 0 FBADHN COc1ccc([C@@H]2CCNC[C@H]2NC(=O)C(=O)N2CCNC(=O)C2)cc1 ZINC000419900605 484805003 /nfs/dbraw/zinc/80/50/03/484805003.db2.gz SRSHFQVXWCWBOT-LSDHHAIUSA-N 0 3 360.414 -0.785 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419904018 484805222 /nfs/dbraw/zinc/80/52/22/484805222.db2.gz BCSVINWNRJMOSP-KBPBESRZSA-N 0 3 368.459 -0.657 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419904019 484804646 /nfs/dbraw/zinc/80/46/46/484804646.db2.gz BCSVINWNRJMOSP-KGLIPLIRSA-N 0 3 368.459 -0.657 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419904020 484804991 /nfs/dbraw/zinc/80/49/91/484804991.db2.gz BCSVINWNRJMOSP-UONOGXRCSA-N 0 3 368.459 -0.657 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419904021 484804956 /nfs/dbraw/zinc/80/49/56/484804956.db2.gz BCSVINWNRJMOSP-ZIAGYGMSSA-N 0 3 368.459 -0.657 20 0 FBADHN CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419906494 484805245 /nfs/dbraw/zinc/80/52/45/484805245.db2.gz CHXNNRMFAAQYKR-UHFFFAOYSA-N 0 3 362.430 -0.208 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000419913895 484806136 /nfs/dbraw/zinc/80/61/36/484806136.db2.gz NEBPWQWPEPPAPD-CABCVRRESA-N 0 3 359.430 -0.135 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000419913897 484806073 /nfs/dbraw/zinc/80/60/73/484806073.db2.gz NEBPWQWPEPPAPD-GJZGRUSLSA-N 0 3 359.430 -0.135 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000419913899 484806492 /nfs/dbraw/zinc/80/64/92/484806492.db2.gz NEBPWQWPEPPAPD-HUUCEWRRSA-N 0 3 359.430 -0.135 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000419913901 484806088 /nfs/dbraw/zinc/80/60/88/484806088.db2.gz NEBPWQWPEPPAPD-LSDHHAIUSA-N 0 3 359.430 -0.135 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000419915420 484806547 /nfs/dbraw/zinc/80/65/47/484806547.db2.gz PKMRVELMGMJDTN-HNNXBMFYSA-N 0 3 354.414 -0.059 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000419915421 484806229 /nfs/dbraw/zinc/80/62/29/484806229.db2.gz PKMRVELMGMJDTN-OAHLLOKOSA-N 0 3 354.414 -0.059 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)c1ccccc1 ZINC000419916200 484806518 /nfs/dbraw/zinc/80/65/18/484806518.db2.gz DSFMOTZGIVJCTA-HNNXBMFYSA-N 0 3 356.430 -0.130 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)c1ccccc1 ZINC000419916202 484805928 /nfs/dbraw/zinc/80/59/28/484805928.db2.gz DSFMOTZGIVJCTA-OAHLLOKOSA-N 0 3 356.430 -0.130 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 ZINC000419922480 484809420 /nfs/dbraw/zinc/80/94/20/484809420.db2.gz ZKXAOKNMJNZZHO-INIZCTEOSA-N 0 3 373.457 -0.775 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 ZINC000419922482 484809120 /nfs/dbraw/zinc/80/91/20/484809120.db2.gz ZKXAOKNMJNZZHO-MRXNPFEDSA-N 0 3 373.457 -0.775 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CCN1S(C)(=O)=O ZINC000419923253 484808543 /nfs/dbraw/zinc/80/85/43/484808543.db2.gz GINJTUJGCLOGSA-GXTWGEPZSA-N 0 3 368.459 -0.705 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CCN1S(C)(=O)=O ZINC000419923255 484808870 /nfs/dbraw/zinc/80/88/70/484808870.db2.gz GINJTUJGCLOGSA-JSGCOSHPSA-N 0 3 368.459 -0.705 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000419923769 484808912 /nfs/dbraw/zinc/80/89/12/484808912.db2.gz GRBOXYHCRMDXDN-HNNXBMFYSA-N 0 3 354.414 -0.059 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000419923772 484808808 /nfs/dbraw/zinc/80/88/08/484808808.db2.gz GRBOXYHCRMDXDN-OAHLLOKOSA-N 0 3 354.414 -0.059 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)cn1 ZINC000419925955 484808951 /nfs/dbraw/zinc/80/89/51/484808951.db2.gz IYNIYNYYCJDIOI-INIZCTEOSA-N 0 3 356.430 -0.115 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)cn1 ZINC000419925961 484808755 /nfs/dbraw/zinc/80/87/55/484808755.db2.gz IYNIYNYYCJDIOI-MRXNPFEDSA-N 0 3 356.430 -0.115 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2=O)cn1 ZINC000419927313 484810727 /nfs/dbraw/zinc/81/07/27/484810727.db2.gz JVWVKOSOFHLILZ-HNNXBMFYSA-N 0 3 370.413 -0.589 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2=O)cn1 ZINC000419927314 484810827 /nfs/dbraw/zinc/81/08/27/484810827.db2.gz JVWVKOSOFHLILZ-OAHLLOKOSA-N 0 3 370.413 -0.589 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000419927648 484810780 /nfs/dbraw/zinc/81/07/80/484810780.db2.gz JWZUUIQHWNYCKM-CVEARBPZSA-N 0 3 374.441 -0.348 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000419927649 484809935 /nfs/dbraw/zinc/80/99/35/484809935.db2.gz JWZUUIQHWNYCKM-HOTGVXAUSA-N 0 3 374.441 -0.348 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 ZINC000419927650 484810211 /nfs/dbraw/zinc/81/02/11/484810211.db2.gz JWZUUIQHWNYCKM-HZPDHXFCSA-N 0 3 374.441 -0.348 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 ZINC000419927651 484810105 /nfs/dbraw/zinc/81/01/05/484810105.db2.gz JWZUUIQHWNYCKM-JKSUJKDBSA-N 0 3 374.441 -0.348 20 0 FBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419928614 484810277 /nfs/dbraw/zinc/81/02/77/484810277.db2.gz LJWXHMCYYNSNTD-AWEZNQCLSA-N 0 3 361.446 -0.789 20 0 FBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419928615 484810541 /nfs/dbraw/zinc/81/05/41/484810541.db2.gz LJWXHMCYYNSNTD-CQSZACIVSA-N 0 3 361.446 -0.789 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000419929496 484810878 /nfs/dbraw/zinc/81/08/78/484810878.db2.gz MOPAXCQSPGMHEK-HNNXBMFYSA-N 0 3 354.414 -0.059 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC000419929497 484810373 /nfs/dbraw/zinc/81/03/73/484810373.db2.gz MOPAXCQSPGMHEK-OAHLLOKOSA-N 0 3 354.414 -0.059 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 ZINC000419929759 484810805 /nfs/dbraw/zinc/81/08/05/484810805.db2.gz NBPLERGPKOTXTB-LLVKDONJSA-N 0 3 358.320 -0.007 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 ZINC000419929760 484810406 /nfs/dbraw/zinc/81/04/06/484810406.db2.gz NBPLERGPKOTXTB-NSHDSACASA-N 0 3 358.320 -0.007 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419930703 484809971 /nfs/dbraw/zinc/80/99/71/484809971.db2.gz OQLSHSABKYBMSZ-AWEZNQCLSA-N 0 3 368.459 -0.704 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419930704 484810626 /nfs/dbraw/zinc/81/06/26/484810626.db2.gz OQLSHSABKYBMSZ-CQSZACIVSA-N 0 3 368.459 -0.704 20 0 FBADHN O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419930732 484810128 /nfs/dbraw/zinc/81/01/28/484810128.db2.gz BSRCMLHLLNVEIR-OAHLLOKOSA-N 0 3 374.441 -0.065 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000419936399 484810935 /nfs/dbraw/zinc/81/09/35/484810935.db2.gz UEQHBDSCDRWVKK-DOTOQJQBSA-N 0 3 360.458 -0.017 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000419936400 484810715 /nfs/dbraw/zinc/81/07/15/484810715.db2.gz UEQHBDSCDRWVKK-NVXWUHKLSA-N 0 3 360.458 -0.017 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000419936402 484810444 /nfs/dbraw/zinc/81/04/44/484810444.db2.gz UEQHBDSCDRWVKK-RDJZCZTQSA-N 0 3 360.458 -0.017 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000419936403 484810392 /nfs/dbraw/zinc/81/03/92/484810392.db2.gz UEQHBDSCDRWVKK-WBVHZDCISA-N 0 3 360.458 -0.017 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419936478 484810516 /nfs/dbraw/zinc/81/05/16/484810516.db2.gz UKFLPMJKLCLYGB-HNNXBMFYSA-N 0 3 361.446 -0.917 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419936480 484810468 /nfs/dbraw/zinc/81/04/68/484810468.db2.gz UKFLPMJKLCLYGB-OAHLLOKOSA-N 0 3 361.446 -0.917 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)n1 ZINC000419937105 484810837 /nfs/dbraw/zinc/81/08/37/484810837.db2.gz VIQVEWFYGMCDLH-HNNXBMFYSA-N 0 3 372.429 -0.162 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)n1 ZINC000419937109 484810582 /nfs/dbraw/zinc/81/05/82/484810582.db2.gz VIQVEWFYGMCDLH-OAHLLOKOSA-N 0 3 372.429 -0.162 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1=O ZINC000419938882 484812614 /nfs/dbraw/zinc/81/26/14/484812614.db2.gz XQTIWQIZGMYMAH-HNNXBMFYSA-N 0 3 362.430 -0.490 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1=O ZINC000419938883 484811339 /nfs/dbraw/zinc/81/13/39/484811339.db2.gz XQTIWQIZGMYMAH-OAHLLOKOSA-N 0 3 362.430 -0.490 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419938908 484811880 /nfs/dbraw/zinc/81/18/80/484811880.db2.gz XTCQGYNAZJDWTO-KBPBESRZSA-N 0 3 368.459 -0.657 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419938909 484812276 /nfs/dbraw/zinc/81/22/76/484812276.db2.gz XTCQGYNAZJDWTO-KGLIPLIRSA-N 0 3 368.459 -0.657 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419938910 484811594 /nfs/dbraw/zinc/81/15/94/484811594.db2.gz XTCQGYNAZJDWTO-UONOGXRCSA-N 0 3 368.459 -0.657 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419938911 484812262 /nfs/dbraw/zinc/81/22/62/484812262.db2.gz XTCQGYNAZJDWTO-ZIAGYGMSSA-N 0 3 368.459 -0.657 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)cn1 ZINC000419939512 484811668 /nfs/dbraw/zinc/81/16/68/484811668.db2.gz YHNITOVLJWVAIN-UHFFFAOYSA-N 0 3 372.389 -0.210 20 0 FBADHN Cn1ccnc1CN1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419939549 484811795 /nfs/dbraw/zinc/81/17/95/484811795.db2.gz YKUDMSJEFCSEGO-INIZCTEOSA-N 0 3 370.457 -0.120 20 0 FBADHN Cn1ccnc1CN1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419939550 484812387 /nfs/dbraw/zinc/81/23/87/484812387.db2.gz YKUDMSJEFCSEGO-MRXNPFEDSA-N 0 3 370.457 -0.120 20 0 FBADHN O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419943666 484811897 /nfs/dbraw/zinc/81/18/97/484811897.db2.gz JAZKOQCXWPRUAM-HNNXBMFYSA-N 0 3 374.441 -0.065 20 0 FBADHN O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419943667 484812508 /nfs/dbraw/zinc/81/25/08/484812508.db2.gz JAZKOQCXWPRUAM-OAHLLOKOSA-N 0 3 374.441 -0.065 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC2)n1 ZINC000419948289 484812559 /nfs/dbraw/zinc/81/25/59/484812559.db2.gz FJRRPCZMWJXVQB-CYBMUJFWSA-N 0 3 364.450 -0.377 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC2)n1 ZINC000419948290 484812301 /nfs/dbraw/zinc/81/23/01/484812301.db2.gz FJRRPCZMWJXVQB-ZDUSSCGKSA-N 0 3 364.450 -0.377 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000419948331 484812195 /nfs/dbraw/zinc/81/21/95/484812195.db2.gz FPCQMZGKMKRRRR-KBPBESRZSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000419948332 484812535 /nfs/dbraw/zinc/81/25/35/484812535.db2.gz FPCQMZGKMKRRRR-KGLIPLIRSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000419948333 484812495 /nfs/dbraw/zinc/81/24/95/484812495.db2.gz FPCQMZGKMKRRRR-UONOGXRCSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000419948434 484811765 /nfs/dbraw/zinc/81/17/65/484811765.db2.gz FPCQMZGKMKRRRR-ZIAGYGMSSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000419948919 484510548 /nfs/dbraw/zinc/51/05/48/484510548.db2.gz GRDIJAOOOWQHAN-JTQLQIEISA-N 0 3 355.468 -0.742 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000419948927 484510921 /nfs/dbraw/zinc/51/09/21/484510921.db2.gz GRDIJAOOOWQHAN-SNVBAGLBSA-N 0 3 355.468 -0.742 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000419949205 484811739 /nfs/dbraw/zinc/81/17/39/484811739.db2.gz GVTLZSXGUVRUNM-CABCVRRESA-N 0 3 362.478 -0.001 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000419949217 484812163 /nfs/dbraw/zinc/81/21/63/484812163.db2.gz GVTLZSXGUVRUNM-GJZGRUSLSA-N 0 3 362.478 -0.001 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000419949222 484811453 /nfs/dbraw/zinc/81/14/53/484811453.db2.gz GVTLZSXGUVRUNM-HUUCEWRRSA-N 0 3 362.478 -0.001 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000419949226 484811408 /nfs/dbraw/zinc/81/14/08/484811408.db2.gz GVTLZSXGUVRUNM-LSDHHAIUSA-N 0 3 362.478 -0.001 20 0 FBADHN COc1cc(N2CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC2)ncn1 ZINC000419950192 484812947 /nfs/dbraw/zinc/81/29/47/484812947.db2.gz HZEWBPAORPJFCF-CYBMUJFWSA-N 0 3 364.450 -0.377 20 0 FBADHN COc1cc(N2CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC2)ncn1 ZINC000419950193 484813393 /nfs/dbraw/zinc/81/33/93/484813393.db2.gz HZEWBPAORPJFCF-ZDUSSCGKSA-N 0 3 364.450 -0.377 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000419950665 484814168 /nfs/dbraw/zinc/81/41/68/484814168.db2.gz ISDQUCCGXVYRLT-HNNXBMFYSA-N 0 3 367.494 -0.757 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000419950666 484813864 /nfs/dbraw/zinc/81/38/64/484813864.db2.gz ISDQUCCGXVYRLT-OAHLLOKOSA-N 0 3 367.494 -0.757 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000419951842 484813079 /nfs/dbraw/zinc/81/30/79/484813079.db2.gz JVBMLIKXNZWSMS-KBPBESRZSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000419951843 484813287 /nfs/dbraw/zinc/81/32/87/484813287.db2.gz JVBMLIKXNZWSMS-KGLIPLIRSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000419951844 484813003 /nfs/dbraw/zinc/81/30/03/484813003.db2.gz JVBMLIKXNZWSMS-UONOGXRCSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000419951845 484813591 /nfs/dbraw/zinc/81/35/91/484813591.db2.gz JVBMLIKXNZWSMS-ZIAGYGMSSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000419953418 484813827 /nfs/dbraw/zinc/81/38/27/484813827.db2.gz LCHBIVQICCUDBP-AWEZNQCLSA-N 0 3 355.483 -0.902 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000419953419 484813958 /nfs/dbraw/zinc/81/39/58/484813958.db2.gz LCHBIVQICCUDBP-CQSZACIVSA-N 0 3 355.483 -0.902 20 0 FBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419954332 484814150 /nfs/dbraw/zinc/81/41/50/484814150.db2.gz MDDFAEWVUQWIRL-HNNXBMFYSA-N 0 3 369.510 -0.511 20 0 FBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000419954334 484814000 /nfs/dbraw/zinc/81/40/00/484814000.db2.gz MDDFAEWVUQWIRL-OAHLLOKOSA-N 0 3 369.510 -0.511 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000419955947 484813701 /nfs/dbraw/zinc/81/37/01/484813701.db2.gz NVGVNEJNHBYJHD-CYBMUJFWSA-N 0 3 374.449 -0.738 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000419955948 484813150 /nfs/dbraw/zinc/81/31/50/484813150.db2.gz NVGVNEJNHBYJHD-ZDUSSCGKSA-N 0 3 374.449 -0.738 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419956349 484813362 /nfs/dbraw/zinc/81/33/62/484813362.db2.gz AGQDPKYDRZICEE-AWEZNQCLSA-N 0 3 354.451 -0.673 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000419956350 484813939 /nfs/dbraw/zinc/81/39/39/484813939.db2.gz AGQDPKYDRZICEE-CQSZACIVSA-N 0 3 354.451 -0.673 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419956395 484813777 /nfs/dbraw/zinc/81/37/77/484813777.db2.gz AMRUMXHNBKNMHB-KBPBESRZSA-N 0 3 374.507 -0.450 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419956396 484814085 /nfs/dbraw/zinc/81/40/85/484814085.db2.gz AMRUMXHNBKNMHB-KGLIPLIRSA-N 0 3 374.507 -0.450 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419956397 484813970 /nfs/dbraw/zinc/81/39/70/484813970.db2.gz AMRUMXHNBKNMHB-UONOGXRCSA-N 0 3 374.507 -0.450 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419956398 484813894 /nfs/dbraw/zinc/81/38/94/484813894.db2.gz AMRUMXHNBKNMHB-ZIAGYGMSSA-N 0 3 374.507 -0.450 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC2)n1 ZINC000419957076 484813302 /nfs/dbraw/zinc/81/33/02/484813302.db2.gz OQKSSCFPIMRDPN-CYBMUJFWSA-N 0 3 352.439 -0.488 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCO1 ZINC000419960023 484807521 /nfs/dbraw/zinc/80/75/21/484807521.db2.gz DWOPNLOAYZKFBN-CABCVRRESA-N 0 3 354.451 -0.626 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCO1 ZINC000419960024 484807610 /nfs/dbraw/zinc/80/76/10/484807610.db2.gz DWOPNLOAYZKFBN-GJZGRUSLSA-N 0 3 354.451 -0.626 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CCO1 ZINC000419960025 484807877 /nfs/dbraw/zinc/80/78/77/484807877.db2.gz DWOPNLOAYZKFBN-HUUCEWRRSA-N 0 3 354.451 -0.626 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CCO1 ZINC000419960026 484807275 /nfs/dbraw/zinc/80/72/75/484807275.db2.gz DWOPNLOAYZKFBN-LSDHHAIUSA-N 0 3 354.451 -0.626 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000419960394 484809064 /nfs/dbraw/zinc/80/90/64/484809064.db2.gz ROUMXUZFFIIMJI-CHWSQXEVSA-N 0 3 362.496 -0.595 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000419960395 484808763 /nfs/dbraw/zinc/80/87/63/484808763.db2.gz ROUMXUZFFIIMJI-OLZOCXBDSA-N 0 3 362.496 -0.595 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000419960396 484809362 /nfs/dbraw/zinc/80/93/62/484809362.db2.gz ROUMXUZFFIIMJI-QWHCGFSZSA-N 0 3 362.496 -0.595 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000419960397 484808583 /nfs/dbraw/zinc/80/85/83/484808583.db2.gz ROUMXUZFFIIMJI-STQMWFEESA-N 0 3 362.496 -0.595 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000419960937 484809036 /nfs/dbraw/zinc/80/90/36/484809036.db2.gz SDMQSUAGQIKMIN-CYBMUJFWSA-N 0 3 356.467 -0.428 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419960939 484808771 /nfs/dbraw/zinc/80/87/71/484808771.db2.gz SDMQSUAGQIKMIN-ZDUSSCGKSA-N 0 3 356.467 -0.428 20 0 FBADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CCO2)n1 ZINC000419961462 484809104 /nfs/dbraw/zinc/80/91/04/484809104.db2.gz SMPPMOPKTMIJSV-CABCVRRESA-N 0 3 366.466 -0.388 20 0 FBADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N[C@H](CN)CC(C)C)CCO2)n1 ZINC000419961471 484809353 /nfs/dbraw/zinc/80/93/53/484809353.db2.gz SMPPMOPKTMIJSV-GJZGRUSLSA-N 0 3 366.466 -0.388 20 0 FBADHN Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CCO2)n1 ZINC000419961474 484808720 /nfs/dbraw/zinc/80/87/20/484808720.db2.gz SMPPMOPKTMIJSV-HUUCEWRRSA-N 0 3 366.466 -0.388 20 0 FBADHN Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)N[C@H](CN)CC(C)C)CCO2)n1 ZINC000419961480 484808711 /nfs/dbraw/zinc/80/87/11/484808711.db2.gz SMPPMOPKTMIJSV-LSDHHAIUSA-N 0 3 366.466 -0.388 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000419962668 484809051 /nfs/dbraw/zinc/80/90/51/484809051.db2.gz UDLMMMPTBJLFLE-AWEZNQCLSA-N 0 3 355.483 -0.855 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000419962670 484809179 /nfs/dbraw/zinc/80/91/79/484809179.db2.gz UDLMMMPTBJLFLE-CQSZACIVSA-N 0 3 355.483 -0.855 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000419963537 484809259 /nfs/dbraw/zinc/80/92/59/484809259.db2.gz VATPDIBYDQPKBF-AWEZNQCLSA-N 0 3 361.446 -0.144 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000419963538 484808989 /nfs/dbraw/zinc/80/89/89/484808989.db2.gz VATPDIBYDQPKBF-CQSZACIVSA-N 0 3 361.446 -0.144 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)[C@@H](C)C1 ZINC000419966679 484808859 /nfs/dbraw/zinc/80/88/59/484808859.db2.gz YZIASOFYWKHJMQ-KBPBESRZSA-N 0 3 356.467 -0.428 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)[C@H](C)C1 ZINC000419966680 484808400 /nfs/dbraw/zinc/80/84/00/484808400.db2.gz YZIASOFYWKHJMQ-KGLIPLIRSA-N 0 3 356.467 -0.428 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)[C@@H](C)C1 ZINC000419966681 484809282 /nfs/dbraw/zinc/80/92/82/484809282.db2.gz YZIASOFYWKHJMQ-UONOGXRCSA-N 0 3 356.467 -0.428 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)[C@H](C)C1 ZINC000419966682 484809206 /nfs/dbraw/zinc/80/92/06/484809206.db2.gz YZIASOFYWKHJMQ-ZIAGYGMSSA-N 0 3 356.467 -0.428 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000419966787 484809079 /nfs/dbraw/zinc/80/90/79/484809079.db2.gz YZQIUBQSUYFBSQ-CYBMUJFWSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000419966788 484808801 /nfs/dbraw/zinc/80/88/01/484808801.db2.gz YZQIUBQSUYFBSQ-ZDUSSCGKSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000419966868 484808596 /nfs/dbraw/zinc/80/85/96/484808596.db2.gz ZINIVFDXOMZKGU-KBPBESRZSA-N 0 3 354.451 -0.674 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000419966869 484808345 /nfs/dbraw/zinc/80/83/45/484808345.db2.gz ZINIVFDXOMZKGU-KGLIPLIRSA-N 0 3 354.451 -0.674 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000419966870 484809293 /nfs/dbraw/zinc/80/92/93/484809293.db2.gz ZINIVFDXOMZKGU-UONOGXRCSA-N 0 3 354.451 -0.674 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000419966871 484809217 /nfs/dbraw/zinc/80/92/17/484809217.db2.gz ZINIVFDXOMZKGU-ZIAGYGMSSA-N 0 3 354.451 -0.674 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000419966876 484808963 /nfs/dbraw/zinc/80/89/63/484808963.db2.gz ZIRGRFJJZJXAIC-CYBMUJFWSA-N 0 3 352.414 -0.246 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000419966877 484809408 /nfs/dbraw/zinc/80/94/08/484809408.db2.gz ZIRGRFJJZJXAIC-ZDUSSCGKSA-N 0 3 352.414 -0.246 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000419966984 484809228 /nfs/dbraw/zinc/80/92/28/484809228.db2.gz MSIQBGQKVVSXPX-CYBMUJFWSA-N 0 3 360.480 -0.886 20 0 FBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419967018 484808741 /nfs/dbraw/zinc/80/87/41/484808741.db2.gz ZOWSBOQICPSOGJ-CABCVRRESA-N 0 3 369.510 -0.465 20 0 FBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419967019 484809315 /nfs/dbraw/zinc/80/93/15/484809315.db2.gz ZOWSBOQICPSOGJ-GJZGRUSLSA-N 0 3 369.510 -0.465 20 0 FBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000419967020 484808572 /nfs/dbraw/zinc/80/85/72/484808572.db2.gz ZOWSBOQICPSOGJ-HUUCEWRRSA-N 0 3 369.510 -0.465 20 0 FBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000419967021 484809444 /nfs/dbraw/zinc/80/94/44/484809444.db2.gz ZOWSBOQICPSOGJ-LSDHHAIUSA-N 0 3 369.510 -0.465 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419967117 484809245 /nfs/dbraw/zinc/80/92/45/484809245.db2.gz MSIQBGQKVVSXPX-ZDUSSCGKSA-N 0 3 360.480 -0.886 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCCN1C(=O)CCC1=O)C1CCCCC1 ZINC000419967514 484809340 /nfs/dbraw/zinc/80/93/40/484809340.db2.gz OFJGRJMOWIMYJU-CYBMUJFWSA-N 0 3 352.435 -0.335 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCCN1C(=O)CCC1=O)C1CCCCC1 ZINC000419967515 484808780 /nfs/dbraw/zinc/80/87/80/484808780.db2.gz OFJGRJMOWIMYJU-ZDUSSCGKSA-N 0 3 352.435 -0.335 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CCN1S(C)(=O)=O ZINC000419968069 484808936 /nfs/dbraw/zinc/80/89/36/484808936.db2.gz PGRKCVVWXIRCPC-GXTWGEPZSA-N 0 3 374.507 -0.498 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCN1S(C)(=O)=O ZINC000419968070 484808629 /nfs/dbraw/zinc/80/86/29/484808629.db2.gz PGRKCVVWXIRCPC-JSGCOSHPSA-N 0 3 374.507 -0.498 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419968141 484808969 /nfs/dbraw/zinc/80/89/69/484808969.db2.gz PLAXPJLHUHRDPP-HNNXBMFYSA-N 0 3 367.494 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ZINC000419983168 484819234 /nfs/dbraw/zinc/81/92/34/484819234.db2.gz WHKMMDNLAAEJTD-KSSFIOAISA-N 0 3 368.478 -0.548 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000419983174 484819728 /nfs/dbraw/zinc/81/97/28/484819728.db2.gz WHKMMDNLAAEJTD-RDTXWAMCSA-N 0 3 368.478 -0.548 20 0 FBADHN CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000419984711 484821231 /nfs/dbraw/zinc/82/12/31/484821231.db2.gz ABDSSCBZZTYMJN-CYBMUJFWSA-N 0 3 362.430 -0.167 20 0 FBADHN COc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)cc(OC)c1 ZINC000419987517 484821089 /nfs/dbraw/zinc/82/10/89/484821089.db2.gz DTBLOGYSEVXAKI-CYBMUJFWSA-N 0 3 364.446 -0.189 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419988411 484820946 /nfs/dbraw/zinc/82/09/46/484820946.db2.gz FRUKDSNPEBTJNT-GFCCVEGCSA-N 0 3 366.393 -0.661 20 0 FBADHN CN(C)CC[C@](C)(O)CNC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000419989870 484821171 /nfs/dbraw/zinc/82/11/71/484821171.db2.gz JPIDOGVDCQTLIF-HNNXBMFYSA-N 0 3 361.439 -0.077 20 0 FBADHN CN(C)CC[C@@](C)(O)CNC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000419989872 484821044 /nfs/dbraw/zinc/82/10/44/484821044.db2.gz JPIDOGVDCQTLIF-OAHLLOKOSA-N 0 3 361.439 -0.077 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000419990903 484821022 /nfs/dbraw/zinc/82/10/22/484821022.db2.gz ANFLLDUAQHFQKM-LLVKDONJSA-N 0 3 352.822 -0.026 20 0 FBADHN Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)cc1 ZINC000419991374 484820873 /nfs/dbraw/zinc/82/08/73/484820873.db2.gz BEJRSHBXKQYSPO-CQSZACIVSA-N 0 3 362.430 -0.492 20 0 FBADHN COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000419992540 484820763 /nfs/dbraw/zinc/82/07/63/484820763.db2.gz CTNVTLDUMIAJLJ-GFCCVEGCSA-N 0 3 352.410 -0.058 20 0 FBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@H](C)CN)CC2)n1 ZINC000419992890 484820853 /nfs/dbraw/zinc/82/08/53/484820853.db2.gz DDDSGAHYDCIBDS-GFCCVEGCSA-N 0 3 350.423 -0.623 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000419993714 484820697 /nfs/dbraw/zinc/82/06/97/484820697.db2.gz FSDSVEGYEFZAQL-SNVBAGLBSA-N 0 3 354.357 -0.287 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)s1 ZINC000419994239 484821219 /nfs/dbraw/zinc/82/12/19/484821219.db2.gz GNZHTVOKGBCTPR-SNVBAGLBSA-N 0 3 354.432 -0.353 20 0 FBADHN CCOc1cc(NC2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)ncn1 ZINC000419994659 484822249 /nfs/dbraw/zinc/82/22/49/484822249.db2.gz GRRCJZHATJFOAM-LLVKDONJSA-N 0 3 350.423 -0.258 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419994661 484822674 /nfs/dbraw/zinc/82/26/74/484822674.db2.gz GRVQTZXGPRGXIY-LLVKDONJSA-N 0 3 362.386 -0.837 20 0 FBADHN CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)nc1 ZINC000419995188 484822390 /nfs/dbraw/zinc/82/23/90/484822390.db2.gz HTOJUCXRDNBCIK-GFCCVEGCSA-N 0 3 363.418 -0.630 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000420004318 484814964 /nfs/dbraw/zinc/81/49/64/484814964.db2.gz ANFLLDUAQHFQKM-NSHDSACASA-N 0 3 352.822 -0.026 20 0 FBADHN Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)cc1 ZINC000420004727 484815370 /nfs/dbraw/zinc/81/53/70/484815370.db2.gz BEJRSHBXKQYSPO-AWEZNQCLSA-N 0 3 362.430 -0.492 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000420004747 484815353 /nfs/dbraw/zinc/81/53/53/484815353.db2.gz BFTLQDTWSJHWST-LLVKDONJSA-N 0 3 354.373 -0.437 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000420004748 484815503 /nfs/dbraw/zinc/81/55/03/484815503.db2.gz BFTLQDTWSJHWST-NSHDSACASA-N 0 3 354.373 -0.437 20 0 FBADHN CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420007417 484815487 /nfs/dbraw/zinc/81/54/87/484815487.db2.gz ABDSSCBZZTYMJN-ZDUSSCGKSA-N 0 3 362.430 -0.167 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000420007729 484815009 /nfs/dbraw/zinc/81/50/09/484815009.db2.gz SQKDQNHBJVKOEU-KFWWJZLASA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000420007731 484815566 /nfs/dbraw/zinc/81/55/66/484815566.db2.gz SQKDQNHBJVKOEU-RBSFLKMASA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000420007733 484814620 /nfs/dbraw/zinc/81/46/20/484814620.db2.gz SQKDQNHBJVKOEU-RRFJBIMHSA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000420007735 484815172 /nfs/dbraw/zinc/81/51/72/484815172.db2.gz SQKDQNHBJVKOEU-ZNMIVQPWSA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000420007784 484815304 /nfs/dbraw/zinc/81/53/04/484815304.db2.gz STDGFDAQSUXBKF-CQSZACIVSA-N 0 3 373.457 -0.817 20 0 FBADHN COc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)cc(OC)c1 ZINC000420010002 484816952 /nfs/dbraw/zinc/81/69/52/484816952.db2.gz DTBLOGYSEVXAKI-ZDUSSCGKSA-N 0 3 364.446 -0.189 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000420010370 484816850 /nfs/dbraw/zinc/81/68/50/484816850.db2.gz XCRYGHTUUCIDJN-CYBMUJFWSA-N 0 3 364.421 -0.108 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000420010640 484816623 /nfs/dbraw/zinc/81/66/23/484816623.db2.gz FRUKDSNPEBTJNT-LBPRGKRZSA-N 0 3 366.393 -0.661 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000420010647 484816664 /nfs/dbraw/zinc/81/66/64/484816664.db2.gz FSDSVEGYEFZAQL-JTQLQIEISA-N 0 3 354.357 -0.287 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000420012145 484816764 /nfs/dbraw/zinc/81/67/64/484816764.db2.gz ZWUGDLXLKYRMRX-CYBMUJFWSA-N 0 3 371.441 -0.155 20 0 FBADHN CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420012287 484816021 /nfs/dbraw/zinc/81/60/21/484816021.db2.gz IWPMNQYEPLPGNR-HNNXBMFYSA-N 0 3 362.430 -0.224 20 0 FBADHN CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420012289 484816970 /nfs/dbraw/zinc/81/69/70/484816970.db2.gz IWPMNQYEPLPGNR-OAHLLOKOSA-N 0 3 362.430 -0.224 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000420013707 484816374 /nfs/dbraw/zinc/81/63/74/484816374.db2.gz MDOGYPIEROIPHC-SHARSMKWSA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000420014527 484816933 /nfs/dbraw/zinc/81/69/33/484816933.db2.gz NXSUONFRYKQMST-GFCCVEGCSA-N 0 3 365.409 -0.628 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420014825 484816804 /nfs/dbraw/zinc/81/68/04/484816804.db2.gz OSBUOHZOEIXJCC-SNVBAGLBSA-N 0 3 354.357 -0.287 20 0 FBADHN COc1cccc(OCCN2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)c1 ZINC000420014854 484816827 /nfs/dbraw/zinc/81/68/27/484816827.db2.gz OWWTVCRXYHXJGU-CQSZACIVSA-N 0 3 364.446 -0.318 20 0 FBADHN COc1ccc(CN2CCCN(C(=O)C(=O)N[C@H](C)CN)CC2=O)cc1 ZINC000420014858 484816221 /nfs/dbraw/zinc/81/62/21/484816221.db2.gz OXUXTDGOPNQPOG-CYBMUJFWSA-N 0 3 362.430 -0.281 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000420014886 484816340 /nfs/dbraw/zinc/81/63/40/484816340.db2.gz PELDTCPBWLDLMG-LLVKDONJSA-N 0 3 354.432 -0.742 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420015132 484816046 /nfs/dbraw/zinc/81/60/46/484816046.db2.gz PLGGOJJTYPPCRI-DGCLKSJQSA-N 0 3 360.480 -0.697 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420015133 484816589 /nfs/dbraw/zinc/81/65/89/484816589.db2.gz PLGGOJJTYPPCRI-YPMHNXCESA-N 0 3 360.480 -0.697 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)cc1 ZINC000420015209 484816275 /nfs/dbraw/zinc/81/62/75/484816275.db2.gz PXLHIQAMAQZECW-CYBMUJFWSA-N 0 3 368.459 -0.709 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000420015752 484816753 /nfs/dbraw/zinc/81/67/53/484816753.db2.gz RDFQRQYBZHYJDN-LLVKDONJSA-N 0 3 372.422 -0.878 20 0 FBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)cc1F ZINC000420016316 484816297 /nfs/dbraw/zinc/81/62/97/484816297.db2.gz RYHKEGMWTGQEGI-GFCCVEGCSA-N 0 3 350.394 -0.118 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420016348 484816491 /nfs/dbraw/zinc/81/64/91/484816491.db2.gz SDZBVAPLJUGKTC-SNVBAGLBSA-N 0 3 354.357 -0.287 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H](C)CN)[C@H](C)C2)cc1 ZINC000420016383 484816636 /nfs/dbraw/zinc/81/66/36/484816636.db2.gz SIOOJWQXTZZRMY-CHWSQXEVSA-N 0 3 362.430 -0.026 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H](C)CN)[C@@H](C)C2)cc1 ZINC000420016384 484816836 /nfs/dbraw/zinc/81/68/36/484816836.db2.gz SIOOJWQXTZZRMY-OLZOCXBDSA-N 0 3 362.430 -0.026 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000420016631 484816777 /nfs/dbraw/zinc/81/67/77/484816777.db2.gz SQAJDYFKPQMYCH-YUELXQCFSA-N 0 3 372.425 -0.374 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000420016635 484818068 /nfs/dbraw/zinc/81/80/68/484818068.db2.gz SQWABKXUEPMXHX-GFCCVEGCSA-N 0 3 365.409 -0.628 20 0 FBADHN COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)c1 ZINC000420016644 484817731 /nfs/dbraw/zinc/81/77/31/484817731.db2.gz SRWGCCNODKWXOU-CYBMUJFWSA-N 0 3 364.446 -0.189 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000420016706 484818562 /nfs/dbraw/zinc/81/85/62/484818562.db2.gz TZAMQYJEGIUYSB-QLFBSQMISA-N 0 3 367.494 -0.902 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000420016707 484817945 /nfs/dbraw/zinc/81/79/45/484817945.db2.gz TZAMQYJEGIUYSB-RBSFLKMASA-N 0 3 367.494 -0.902 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000420016708 484817618 /nfs/dbraw/zinc/81/76/18/484817618.db2.gz TZAMQYJEGIUYSB-SOUVJXGZSA-N 0 3 367.494 -0.902 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000420017526 484532771 /nfs/dbraw/zinc/53/27/71/484532771.db2.gz VYOJJIVUXMXZMF-GFCCVEGCSA-N 0 3 371.445 -0.680 20 0 FBADHN COc1ccc(CN2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)cc1F ZINC000420017576 484818159 /nfs/dbraw/zinc/81/81/59/484818159.db2.gz WBJLMNDXYXLRIT-GFCCVEGCSA-N 0 3 352.410 -0.058 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420017878 484818444 /nfs/dbraw/zinc/81/84/44/484818444.db2.gz OSBUOHZOEIXJCC-JTQLQIEISA-N 0 3 354.357 -0.287 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000420018181 484817506 /nfs/dbraw/zinc/81/75/06/484817506.db2.gz PELDTCPBWLDLMG-NSHDSACASA-N 0 3 354.432 -0.742 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000420018323 484818309 /nfs/dbraw/zinc/81/83/09/484818309.db2.gz XLSVEHKCVRUCQT-CQSZACIVSA-N 0 3 367.494 -0.615 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000420018353 484818294 /nfs/dbraw/zinc/81/82/94/484818294.db2.gz XRPKLKNAUGHBAT-CYBMUJFWSA-N 0 3 368.459 -0.876 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420018626 484817723 /nfs/dbraw/zinc/81/77/23/484817723.db2.gz YFMJTCVNPHLPIO-CYBMUJFWSA-N 0 3 368.459 -0.627 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000420018886 484817957 /nfs/dbraw/zinc/81/79/57/484817957.db2.gz YVAVXTCDTMHISZ-CYBMUJFWSA-N 0 3 353.467 -0.957 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000420018925 484818181 /nfs/dbraw/zinc/81/81/81/484818181.db2.gz ZANPEDZAVZCAHA-GFCCVEGCSA-N 0 3 357.414 -0.084 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000420018962 484817770 /nfs/dbraw/zinc/81/77/70/484817770.db2.gz ZDUURXFBPDVQNN-CHWSQXEVSA-N 0 3 353.467 -0.959 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000420018963 484818424 /nfs/dbraw/zinc/81/84/24/484818424.db2.gz ZDUURXFBPDVQNN-OLZOCXBDSA-N 0 3 353.467 -0.959 20 0 FBADHN COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420019901 484817858 /nfs/dbraw/zinc/81/78/58/484817858.db2.gz CTNVTLDUMIAJLJ-LBPRGKRZSA-N 0 3 352.410 -0.058 20 0 FBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@@H](C)CN)CC2)n1 ZINC000420019963 484817880 /nfs/dbraw/zinc/81/78/80/484817880.db2.gz DDDSGAHYDCIBDS-LBPRGKRZSA-N 0 3 350.423 -0.623 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)[C@H](C)C2)cc1 ZINC000420020551 484818460 /nfs/dbraw/zinc/81/84/60/484818460.db2.gz SIOOJWQXTZZRMY-QWHCGFSZSA-N 0 3 362.430 -0.026 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)[C@@H](C)C2)cc1 ZINC000420020553 484818258 /nfs/dbraw/zinc/81/82/58/484818258.db2.gz SIOOJWQXTZZRMY-STQMWFEESA-N 0 3 362.430 -0.026 20 0 FBADHN COc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)ccc1C ZINC000420020566 484817715 /nfs/dbraw/zinc/81/77/15/484817715.db2.gz FXHJGGVNOCBYIZ-CYBMUJFWSA-N 0 3 362.430 -0.249 20 0 FBADHN COc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)ccc1C ZINC000420020568 484818530 /nfs/dbraw/zinc/81/85/30/484818530.db2.gz FXHJGGVNOCBYIZ-ZDUSSCGKSA-N 0 3 362.430 -0.249 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000420020769 484817574 /nfs/dbraw/zinc/81/75/74/484817574.db2.gz SQKDQNHBJVKOEU-ILXRZTDVSA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000420020770 484817585 /nfs/dbraw/zinc/81/75/85/484817585.db2.gz SQKDQNHBJVKOEU-KKUMJFAQSA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000420020771 484818611 /nfs/dbraw/zinc/81/86/11/484818611.db2.gz SQKDQNHBJVKOEU-QLFBSQMISA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000420020772 484818035 /nfs/dbraw/zinc/81/80/35/484818035.db2.gz SQKDQNHBJVKOEU-SOUVJXGZSA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000420020855 484817472 /nfs/dbraw/zinc/81/74/72/484817472.db2.gz STDGFDAQSUXBKF-AWEZNQCLSA-N 0 3 373.457 -0.817 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)s1 ZINC000420020907 484817783 /nfs/dbraw/zinc/81/77/83/484817783.db2.gz GNZHTVOKGBCTPR-JTQLQIEISA-N 0 3 354.432 -0.353 20 0 FBADHN CCOc1cc(NC2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)ncn1 ZINC000420021015 484815150 /nfs/dbraw/zinc/81/51/50/484815150.db2.gz GRRCJZHATJFOAM-NSHDSACASA-N 0 3 350.423 -0.258 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000420021020 484815187 /nfs/dbraw/zinc/81/51/87/484815187.db2.gz GRVQTZXGPRGXIY-NSHDSACASA-N 0 3 362.386 -0.837 20 0 FBADHN CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)nc1 ZINC000420021450 484828504 /nfs/dbraw/zinc/82/85/04/484828504.db2.gz HTOJUCXRDNBCIK-LBPRGKRZSA-N 0 3 363.418 -0.630 20 0 FBADHN COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)c1 ZINC000420021780 484829061 /nfs/dbraw/zinc/82/90/61/484829061.db2.gz IMCAYYVVTBGCFC-CYBMUJFWSA-N 0 3 362.430 -0.628 20 0 FBADHN COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)c1 ZINC000420021781 484829099 /nfs/dbraw/zinc/82/90/99/484829099.db2.gz IMCAYYVVTBGCFC-ZDUSSCGKSA-N 0 3 362.430 -0.628 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000420021839 484828249 /nfs/dbraw/zinc/82/82/49/484828249.db2.gz IVKPTZSXYRJHBT-LLVKDONJSA-N 0 3 366.443 -0.947 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000420021840 484828922 /nfs/dbraw/zinc/82/89/22/484828922.db2.gz IVKPTZSXYRJHBT-NSHDSACASA-N 0 3 366.443 -0.947 20 0 FBADHN COc1ccc(CN2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)cc1F ZINC000420022548 484829047 /nfs/dbraw/zinc/82/90/47/484829047.db2.gz WBJLMNDXYXLRIT-LBPRGKRZSA-N 0 3 352.410 -0.058 20 0 FBADHN CCOc1cc(C)nc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)n1 ZINC000420022594 484828443 /nfs/dbraw/zinc/82/84/43/484828443.db2.gz WEZUCDAISPZTQF-LBPRGKRZSA-N 0 3 350.423 -0.704 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000420023322 484828048 /nfs/dbraw/zinc/82/80/48/484828048.db2.gz APHDJDYVPMVJRP-BDAKNGLRSA-N 0 3 366.340 -0.594 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000420023323 484828352 /nfs/dbraw/zinc/82/83/52/484828352.db2.gz APHDJDYVPMVJRP-DTWKUNHWSA-N 0 3 366.340 -0.594 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000420023324 484828777 /nfs/dbraw/zinc/82/87/77/484828777.db2.gz APHDJDYVPMVJRP-IUCAKERBSA-N 0 3 366.340 -0.594 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000420023325 484828884 /nfs/dbraw/zinc/82/88/84/484828884.db2.gz APHDJDYVPMVJRP-RKDXNWHRSA-N 0 3 366.340 -0.594 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000420023355 484828155 /nfs/dbraw/zinc/82/81/55/484828155.db2.gz XCRYGHTUUCIDJN-ZDUSSCGKSA-N 0 3 364.421 -0.108 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1)C1CC1 ZINC000420024244 484828238 /nfs/dbraw/zinc/82/82/38/484828238.db2.gz AZEKGOYIZUKFBI-CYBMUJFWSA-N 0 3 350.444 -0.114 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1)C1CC1 ZINC000420024246 484828258 /nfs/dbraw/zinc/82/82/58/484828258.db2.gz AZEKGOYIZUKFBI-ZDUSSCGKSA-N 0 3 350.444 -0.114 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420024543 484828746 /nfs/dbraw/zinc/82/87/46/484828746.db2.gz BFJMXEDQWYPACH-BARDWOONSA-N 0 3 370.494 -0.169 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000420024546 484829014 /nfs/dbraw/zinc/82/90/14/484829014.db2.gz BFJMXEDQWYPACH-KBXIAJHMSA-N 0 3 370.494 -0.169 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000420024548 484827942 /nfs/dbraw/zinc/82/79/42/484827942.db2.gz BFJMXEDQWYPACH-TUVASFSCSA-N 0 3 370.494 -0.169 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420024551 484827900 /nfs/dbraw/zinc/82/79/00/484827900.db2.gz BFJMXEDQWYPACH-XGUBFFRZSA-N 0 3 370.494 -0.169 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000420024554 484830143 /nfs/dbraw/zinc/83/01/43/484830143.db2.gz BFOPDEMAFYPLMT-GXTWGEPZSA-N 0 3 364.450 -0.702 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000420024557 484830589 /nfs/dbraw/zinc/83/05/89/484830589.db2.gz BFOPDEMAFYPLMT-JSGCOSHPSA-N 0 3 364.450 -0.702 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000420024560 484830371 /nfs/dbraw/zinc/83/03/71/484830371.db2.gz BFOPDEMAFYPLMT-OCCSQVGLSA-N 0 3 364.450 -0.702 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000420024563 484830009 /nfs/dbraw/zinc/83/00/09/484830009.db2.gz BFOPDEMAFYPLMT-TZMCWYRMSA-N 0 3 364.450 -0.702 20 0 FBADHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420024652 484829411 /nfs/dbraw/zinc/82/94/11/484829411.db2.gz BITYBYIGJSDOBN-CHWSQXEVSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420024654 484830411 /nfs/dbraw/zinc/83/04/11/484830411.db2.gz BITYBYIGJSDOBN-OLZOCXBDSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420024657 484829616 /nfs/dbraw/zinc/82/96/16/484829616.db2.gz BITYBYIGJSDOBN-QWHCGFSZSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420024660 484830569 /nfs/dbraw/zinc/83/05/69/484830569.db2.gz BITYBYIGJSDOBN-STQMWFEESA-N 0 3 360.480 -0.840 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000420025300 484829485 /nfs/dbraw/zinc/82/94/85/484829485.db2.gz ZANPEDZAVZCAHA-LBPRGKRZSA-N 0 3 357.414 -0.084 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420025331 484830249 /nfs/dbraw/zinc/83/02/49/484830249.db2.gz ZDUURXFBPDVQNN-QWHCGFSZSA-N 0 3 353.467 -0.959 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000420025332 484829388 /nfs/dbraw/zinc/82/93/88/484829388.db2.gz ZDUURXFBPDVQNN-STQMWFEESA-N 0 3 353.467 -0.959 20 0 FBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420025409 484830537 /nfs/dbraw/zinc/83/05/37/484830537.db2.gz BQLDYKYVMIOZNL-CHWSQXEVSA-N 0 3 354.451 -0.458 20 0 FBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420025410 484829938 /nfs/dbraw/zinc/82/99/38/484829938.db2.gz BQLDYKYVMIOZNL-OLZOCXBDSA-N 0 3 354.451 -0.458 20 0 FBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420025411 484830504 /nfs/dbraw/zinc/83/05/04/484830504.db2.gz BQLDYKYVMIOZNL-QWHCGFSZSA-N 0 3 354.451 -0.458 20 0 FBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420025412 484830274 /nfs/dbraw/zinc/83/02/74/484830274.db2.gz BQLDYKYVMIOZNL-STQMWFEESA-N 0 3 354.451 -0.458 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000420026200 484829729 /nfs/dbraw/zinc/82/97/29/484829729.db2.gz ZWUGDLXLKYRMRX-ZDUSSCGKSA-N 0 3 371.441 -0.155 20 0 FBADHN CCCN1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1=O ZINC000420026666 484830263 /nfs/dbraw/zinc/83/02/63/484830263.db2.gz CNOMDAOMIHOCQQ-CHWSQXEVSA-N 0 3 354.451 -0.314 20 0 FBADHN CCCN1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1=O ZINC000420026667 484829985 /nfs/dbraw/zinc/82/99/85/484829985.db2.gz CNOMDAOMIHOCQQ-OLZOCXBDSA-N 0 3 354.451 -0.314 20 0 FBADHN CCCN1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1=O ZINC000420026668 484829655 /nfs/dbraw/zinc/82/96/55/484829655.db2.gz CNOMDAOMIHOCQQ-QWHCGFSZSA-N 0 3 354.451 -0.314 20 0 FBADHN CCCN1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1=O ZINC000420026670 484829809 /nfs/dbraw/zinc/82/98/09/484829809.db2.gz CNOMDAOMIHOCQQ-STQMWFEESA-N 0 3 354.451 -0.314 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000420026707 484829713 /nfs/dbraw/zinc/82/97/13/484829713.db2.gz BXELNLDIJKPWMY-CHWSQXEVSA-N 0 3 356.467 -0.557 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000420026708 484829644 /nfs/dbraw/zinc/82/96/44/484829644.db2.gz BXELNLDIJKPWMY-OLZOCXBDSA-N 0 3 356.467 -0.557 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000420026709 484829872 /nfs/dbraw/zinc/82/98/72/484829872.db2.gz BXELNLDIJKPWMY-QWHCGFSZSA-N 0 3 356.467 -0.557 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000420026710 484829903 /nfs/dbraw/zinc/82/99/03/484829903.db2.gz BXELNLDIJKPWMY-STQMWFEESA-N 0 3 356.467 -0.557 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C1CC1 ZINC000420027221 484830384 /nfs/dbraw/zinc/83/03/84/484830384.db2.gz CZPLFKZKEPPDJF-JTQLQIEISA-N 0 3 354.348 -0.116 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1)C1CC1 ZINC000420027222 484830455 /nfs/dbraw/zinc/83/04/55/484830455.db2.gz CZPLFKZKEPPDJF-SNVBAGLBSA-N 0 3 354.348 -0.116 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420027850 484829995 /nfs/dbraw/zinc/82/99/95/484829995.db2.gz LUQMXWKBLIMSBP-GDBMZVCRSA-N 0 3 373.457 -0.601 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420027853 484829742 /nfs/dbraw/zinc/82/97/42/484829742.db2.gz LUQMXWKBLIMSBP-GOEBONIOSA-N 0 3 373.457 -0.601 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420027855 484830358 /nfs/dbraw/zinc/83/03/58/484830358.db2.gz LUQMXWKBLIMSBP-HOCLYGCPSA-N 0 3 373.457 -0.601 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420027857 484830123 /nfs/dbraw/zinc/83/01/23/484830123.db2.gz LUQMXWKBLIMSBP-ZBFHGGJFSA-N 0 3 373.457 -0.601 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000420027930 484830189 /nfs/dbraw/zinc/83/01/89/484830189.db2.gz CYVWAKVZITUIIF-CHWSQXEVSA-N 0 3 356.467 -0.869 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000420027935 484830205 /nfs/dbraw/zinc/83/02/05/484830205.db2.gz CYVWAKVZITUIIF-OLZOCXBDSA-N 0 3 356.467 -0.869 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000420027937 484829561 /nfs/dbraw/zinc/82/95/61/484829561.db2.gz CYVWAKVZITUIIF-QWHCGFSZSA-N 0 3 356.467 -0.869 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000420027940 484830559 /nfs/dbraw/zinc/83/05/59/484830559.db2.gz CYVWAKVZITUIIF-STQMWFEESA-N 0 3 356.467 -0.869 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000420028309 484829831 /nfs/dbraw/zinc/82/98/31/484829831.db2.gz MDOGYPIEROIPHC-SLTAFYQDSA-N 0 3 367.494 -0.711 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccon2)CC1 ZINC000420028556 484830031 /nfs/dbraw/zinc/83/00/31/484830031.db2.gz DUSFBOWCDRTMFK-GXTWGEPZSA-N 0 3 365.434 -0.452 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccon2)CC1 ZINC000420028557 484830515 /nfs/dbraw/zinc/83/05/15/484830515.db2.gz DUSFBOWCDRTMFK-JSGCOSHPSA-N 0 3 365.434 -0.452 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccon2)CC1 ZINC000420028558 484829454 /nfs/dbraw/zinc/82/94/54/484829454.db2.gz DUSFBOWCDRTMFK-OCCSQVGLSA-N 0 3 365.434 -0.452 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccon2)CC1 ZINC000420028559 484829536 /nfs/dbraw/zinc/82/95/36/484829536.db2.gz DUSFBOWCDRTMFK-TZMCWYRMSA-N 0 3 365.434 -0.452 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000420029397 484830525 /nfs/dbraw/zinc/83/05/25/484830525.db2.gz NQHGXHYGIGMMQU-AWEZNQCLSA-N 0 3 361.446 -0.154 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000420029400 484829970 /nfs/dbraw/zinc/82/99/70/484829970.db2.gz NQHGXHYGIGMMQU-CQSZACIVSA-N 0 3 361.446 -0.154 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000420029465 484829518 /nfs/dbraw/zinc/82/95/18/484829518.db2.gz NXSUONFRYKQMST-LBPRGKRZSA-N 0 3 365.409 -0.628 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CCO1 ZINC000420029570 484830402 /nfs/dbraw/zinc/83/04/02/484830402.db2.gz FNLWILSPQRNMHK-IJLUTSLNSA-N 0 3 357.407 -0.994 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CCO1 ZINC000420029571 484830091 /nfs/dbraw/zinc/83/00/91/484830091.db2.gz FNLWILSPQRNMHK-QJPTWQEYSA-N 0 3 357.407 -0.994 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CCO1 ZINC000420029572 484830110 /nfs/dbraw/zinc/83/01/10/484830110.db2.gz FNLWILSPQRNMHK-TUAOUCFPSA-N 0 3 357.407 -0.994 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CCO1 ZINC000420029573 484829467 /nfs/dbraw/zinc/82/94/67/484829467.db2.gz FNLWILSPQRNMHK-UTUOFQBUSA-N 0 3 357.407 -0.994 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@H](C)CN)cc1 ZINC000420029710 484830324 /nfs/dbraw/zinc/83/03/24/484830324.db2.gz OMQGJJFZTVZRHT-GFCCVEGCSA-N 0 3 356.448 -0.805 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@@H](C)CN)cc1 ZINC000420029711 484830347 /nfs/dbraw/zinc/83/03/47/484830347.db2.gz OMQGJJFZTVZRHT-LBPRGKRZSA-N 0 3 356.448 -0.805 20 0 FBADHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420029984 484830472 /nfs/dbraw/zinc/83/04/72/484830472.db2.gz GBPNHTBOKPEDJG-BFHYXJOUSA-N 0 3 368.478 -0.020 20 0 FBADHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420029985 484830048 /nfs/dbraw/zinc/83/00/48/484830048.db2.gz GBPNHTBOKPEDJG-MCIONIFRSA-N 0 3 368.478 -0.020 20 0 FBADHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420029986 484829799 /nfs/dbraw/zinc/82/97/99/484829799.db2.gz GBPNHTBOKPEDJG-MGPQQGTHSA-N 0 3 368.478 -0.020 20 0 FBADHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420029987 484830285 /nfs/dbraw/zinc/83/02/85/484830285.db2.gz GBPNHTBOKPEDJG-MJBXVCDLSA-N 0 3 368.478 -0.020 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420030002 484829959 /nfs/dbraw/zinc/82/99/59/484829959.db2.gz GEKOIVFLARLFBU-HNNXBMFYSA-N 0 3 367.494 -0.757 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420030003 484830432 /nfs/dbraw/zinc/83/04/32/484830432.db2.gz GEKOIVFLARLFBU-OAHLLOKOSA-N 0 3 367.494 -0.757 20 0 FBADHN COc1cccc(OCCN2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)c1 ZINC000420030051 484830233 /nfs/dbraw/zinc/83/02/33/484830233.db2.gz OWWTVCRXYHXJGU-AWEZNQCLSA-N 0 3 364.446 -0.318 20 0 FBADHN COc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H](C)CN)CC2=O)cc1 ZINC000420030057 484830394 /nfs/dbraw/zinc/83/03/94/484830394.db2.gz OXUXTDGOPNQPOG-ZDUSSCGKSA-N 0 3 362.430 -0.281 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420030195 484829690 /nfs/dbraw/zinc/82/96/90/484829690.db2.gz PLGGOJJTYPPCRI-AAEUAGOBSA-N 0 3 360.480 -0.697 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420030197 484829607 /nfs/dbraw/zinc/82/96/07/484829607.db2.gz PLGGOJJTYPPCRI-WCQYABFASA-N 0 3 360.480 -0.697 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)cc1 ZINC000420030533 484831698 /nfs/dbraw/zinc/83/16/98/484831698.db2.gz PXLHIQAMAQZECW-ZDUSSCGKSA-N 0 3 368.459 -0.709 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000420031013 484831954 /nfs/dbraw/zinc/83/19/54/484831954.db2.gz RDFQRQYBZHYJDN-NSHDSACASA-N 0 3 372.422 -0.878 20 0 FBADHN COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC2)c1 ZINC000420031022 484831224 /nfs/dbraw/zinc/83/12/24/484831224.db2.gz GWAODCGELAZLJQ-INIZCTEOSA-N 0 3 374.441 -0.167 20 0 FBADHN COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)CC2)c1 ZINC000420031023 484831770 /nfs/dbraw/zinc/83/17/70/484831770.db2.gz GWAODCGELAZLJQ-MRXNPFEDSA-N 0 3 374.441 -0.167 20 0 FBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)cc1F ZINC000420031570 484831334 /nfs/dbraw/zinc/83/13/34/484831334.db2.gz RYHKEGMWTGQEGI-LBPRGKRZSA-N 0 3 350.394 -0.118 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000420031603 484831714 /nfs/dbraw/zinc/83/17/14/484831714.db2.gz SACQXILHWGGWNE-GFCCVEGCSA-N 0 3 350.394 -0.498 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000420031609 484831424 /nfs/dbraw/zinc/83/14/24/484831424.db2.gz SACQXILHWGGWNE-LBPRGKRZSA-N 0 3 350.394 -0.498 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420031667 484831469 /nfs/dbraw/zinc/83/14/69/484831469.db2.gz SDZBVAPLJUGKTC-JTQLQIEISA-N 0 3 354.357 -0.287 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000420031993 484831622 /nfs/dbraw/zinc/83/16/22/484831622.db2.gz SQAJDYFKPQMYCH-CFVMTHIKSA-N 0 3 372.425 -0.374 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000420031999 484831644 /nfs/dbraw/zinc/83/16/44/484831644.db2.gz SQWABKXUEPMXHX-LBPRGKRZSA-N 0 3 365.409 -0.628 20 0 FBADHN COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)c1 ZINC000420032004 484832021 /nfs/dbraw/zinc/83/20/21/484832021.db2.gz SRWGCCNODKWXOU-ZDUSSCGKSA-N 0 3 364.446 -0.189 20 0 FBADHN CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)s1 ZINC000420032035 484830997 /nfs/dbraw/zinc/83/09/97/484830997.db2.gz SVLNFIPDVSTLQZ-JTQLQIEISA-N 0 3 369.447 -0.568 20 0 FBADHN CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)s1 ZINC000420032038 484831631 /nfs/dbraw/zinc/83/16/31/484831631.db2.gz SVLNFIPDVSTLQZ-SNVBAGLBSA-N 0 3 369.447 -0.568 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000420032342 484831411 /nfs/dbraw/zinc/83/14/11/484831411.db2.gz TZAMQYJEGIUYSB-KFWWJZLASA-N 0 3 367.494 -0.902 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000420032344 484831554 /nfs/dbraw/zinc/83/15/54/484831554.db2.gz TZAMQYJEGIUYSB-KKUMJFAQSA-N 0 3 367.494 -0.902 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000420032345 484831819 /nfs/dbraw/zinc/83/18/19/484831819.db2.gz TZAMQYJEGIUYSB-ZNMIVQPWSA-N 0 3 367.494 -0.902 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000420032886 484831705 /nfs/dbraw/zinc/83/17/05/484831705.db2.gz IFKVPKAISAUHAP-CHWSQXEVSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000420032890 484831878 /nfs/dbraw/zinc/83/18/78/484831878.db2.gz IFKVPKAISAUHAP-OLZOCXBDSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000420032894 484831190 /nfs/dbraw/zinc/83/11/90/484831190.db2.gz IFKVPKAISAUHAP-QWHCGFSZSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000420032897 484830957 /nfs/dbraw/zinc/83/09/57/484830957.db2.gz IFKVPKAISAUHAP-STQMWFEESA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000420033291 484515202 /nfs/dbraw/zinc/51/52/02/484515202.db2.gz VYOJJIVUXMXZMF-LBPRGKRZSA-N 0 3 371.445 -0.680 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000420033367 484831611 /nfs/dbraw/zinc/83/16/11/484831611.db2.gz INRBAVIFTARRBO-AAEUAGOBSA-N 0 3 364.450 -0.270 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000420033381 484831730 /nfs/dbraw/zinc/83/17/30/484831730.db2.gz INRBAVIFTARRBO-DGCLKSJQSA-N 0 3 364.450 -0.270 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000420033383 484831756 /nfs/dbraw/zinc/83/17/56/484831756.db2.gz INRBAVIFTARRBO-WCQYABFASA-N 0 3 364.450 -0.270 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000420033385 484831567 /nfs/dbraw/zinc/83/15/67/484831567.db2.gz INRBAVIFTARRBO-YPMHNXCESA-N 0 3 364.450 -0.270 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000420033394 484830969 /nfs/dbraw/zinc/83/09/69/484830969.db2.gz INUPNGPAHIAVRT-BFHYXJOUSA-N 0 3 364.450 -0.254 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000420033396 484831659 /nfs/dbraw/zinc/83/16/59/484831659.db2.gz INUPNGPAHIAVRT-IHRRRGAJSA-N 0 3 364.450 -0.254 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000420033398 484831084 /nfs/dbraw/zinc/83/10/84/484831084.db2.gz INUPNGPAHIAVRT-MELADBBJSA-N 0 3 364.450 -0.254 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000420033400 484831543 /nfs/dbraw/zinc/83/15/43/484831543.db2.gz INUPNGPAHIAVRT-MJBXVCDLSA-N 0 3 364.450 -0.254 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000420034626 484831099 /nfs/dbraw/zinc/83/10/99/484831099.db2.gz XLSVEHKCVRUCQT-AWEZNQCLSA-N 0 3 367.494 -0.615 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000420034664 484831113 /nfs/dbraw/zinc/83/11/13/484831113.db2.gz XRPKLKNAUGHBAT-ZDUSSCGKSA-N 0 3 368.459 -0.876 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000420034929 484831797 /nfs/dbraw/zinc/83/17/97/484831797.db2.gz JWXFDMXERXRTIR-KKUMJFAQSA-N 0 3 368.478 -0.461 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000420034933 484831439 /nfs/dbraw/zinc/83/14/39/484831439.db2.gz JWXFDMXERXRTIR-RRFJBIMHSA-N 0 3 368.478 -0.461 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000420034935 484831301 /nfs/dbraw/zinc/83/13/01/484831301.db2.gz JWXFDMXERXRTIR-SOUVJXGZSA-N 0 3 368.478 -0.461 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000420034937 484831158 /nfs/dbraw/zinc/83/11/58/484831158.db2.gz JWXFDMXERXRTIR-ZNMIVQPWSA-N 0 3 368.478 -0.461 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000420035126 484831918 /nfs/dbraw/zinc/83/19/18/484831918.db2.gz YEIUYPDNBKHQKS-LLVKDONJSA-N 0 3 352.822 -0.026 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000420035128 484831343 /nfs/dbraw/zinc/83/13/43/484831343.db2.gz YEIUYPDNBKHQKS-NSHDSACASA-N 0 3 352.822 -0.026 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420035149 484830938 /nfs/dbraw/zinc/83/09/38/484830938.db2.gz YFMJTCVNPHLPIO-ZDUSSCGKSA-N 0 3 368.459 -0.627 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC2)cc1 ZINC000420035395 484831478 /nfs/dbraw/zinc/83/14/78/484831478.db2.gz KHGSRYWTCGYLSJ-INIZCTEOSA-N 0 3 374.441 -0.167 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)CC2)cc1 ZINC000420035396 484831137 /nfs/dbraw/zinc/83/11/37/484831137.db2.gz KHGSRYWTCGYLSJ-MRXNPFEDSA-N 0 3 374.441 -0.167 20 0 FBADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000420035502 484831379 /nfs/dbraw/zinc/83/13/79/484831379.db2.gz YVAVXTCDTMHISZ-ZDUSSCGKSA-N 0 3 353.467 -0.957 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000420036330 484831125 /nfs/dbraw/zinc/83/11/25/484831125.db2.gz KUQIGNHSQJDARC-CYZMBNFOSA-N 0 3 352.435 -0.515 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000420036331 484831182 /nfs/dbraw/zinc/83/11/82/484831182.db2.gz KUQIGNHSQJDARC-DRZSPHRISA-N 0 3 352.435 -0.515 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000420036332 484831688 /nfs/dbraw/zinc/83/16/88/484831688.db2.gz KUQIGNHSQJDARC-UHTWSYAYSA-N 0 3 352.435 -0.515 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000420036333 484831722 /nfs/dbraw/zinc/83/17/22/484831722.db2.gz KUQIGNHSQJDARC-WCFLWFBJSA-N 0 3 352.435 -0.515 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036338 484831212 /nfs/dbraw/zinc/83/12/12/484831212.db2.gz KVFKSNDKSRDHJO-BARDWOONSA-N 0 3 370.494 -0.217 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036339 484831678 /nfs/dbraw/zinc/83/16/78/484831678.db2.gz KVFKSNDKSRDHJO-LJISPDSOSA-N 0 3 370.494 -0.217 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036340 484830984 /nfs/dbraw/zinc/83/09/84/484830984.db2.gz KVFKSNDKSRDHJO-LXTVHRRPSA-N 0 3 370.494 -0.217 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036341 484831029 /nfs/dbraw/zinc/83/10/29/484831029.db2.gz KVFKSNDKSRDHJO-XGUBFFRZSA-N 0 3 370.494 -0.217 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420037196 484831508 /nfs/dbraw/zinc/83/15/08/484831508.db2.gz LYSNFAULRNPCDG-KBPBESRZSA-N 0 3 356.467 -0.604 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420037197 484831933 /nfs/dbraw/zinc/83/19/33/484831933.db2.gz LYSNFAULRNPCDG-KGLIPLIRSA-N 0 3 356.467 -0.604 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420037198 484831519 /nfs/dbraw/zinc/83/15/19/484831519.db2.gz LYSNFAULRNPCDG-UONOGXRCSA-N 0 3 356.467 -0.604 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420037199 484832011 /nfs/dbraw/zinc/83/20/11/484832011.db2.gz LYSNFAULRNPCDG-ZIAGYGMSSA-N 0 3 356.467 -0.604 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000420038560 484831834 /nfs/dbraw/zinc/83/18/34/484831834.db2.gz NADPBDNWPIWPJR-KKUMJFAQSA-N 0 3 368.478 -0.604 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000420038562 484831243 /nfs/dbraw/zinc/83/12/43/484831243.db2.gz NADPBDNWPIWPJR-RRFJBIMHSA-N 0 3 368.478 -0.604 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000420038564 484831458 /nfs/dbraw/zinc/83/14/58/484831458.db2.gz NADPBDNWPIWPJR-SOUVJXGZSA-N 0 3 368.478 -0.604 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000420038566 484831369 /nfs/dbraw/zinc/83/13/69/484831369.db2.gz NADPBDNWPIWPJR-ZNMIVQPWSA-N 0 3 368.478 -0.604 20 0 FBADHN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420039044 484831319 /nfs/dbraw/zinc/83/13/19/484831319.db2.gz NTFUAPGXDKFZAK-HZSPNIEDSA-N 0 3 356.467 -0.605 20 0 FBADHN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420039046 484832869 /nfs/dbraw/zinc/83/28/69/484832869.db2.gz NTFUAPGXDKFZAK-IHRRRGAJSA-N 0 3 356.467 -0.605 20 0 FBADHN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420039047 484832540 /nfs/dbraw/zinc/83/25/40/484832540.db2.gz NTFUAPGXDKFZAK-MELADBBJSA-N 0 3 356.467 -0.605 20 0 FBADHN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420039048 484832636 /nfs/dbraw/zinc/83/26/36/484832636.db2.gz NTFUAPGXDKFZAK-RDBSUJKOSA-N 0 3 356.467 -0.605 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000420039842 484832917 /nfs/dbraw/zinc/83/29/17/484832917.db2.gz OGXWDBKKFDPQQX-JKDFXYPNSA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000420039843 484832792 /nfs/dbraw/zinc/83/27/92/484832792.db2.gz OGXWDBKKFDPQQX-NVGCLXPQSA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000420039846 484832473 /nfs/dbraw/zinc/83/24/73/484832473.db2.gz OGXWDBKKFDPQQX-PRXAMGSTSA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000420039848 484832752 /nfs/dbraw/zinc/83/27/52/484832752.db2.gz OGXWDBKKFDPQQX-XWCIJXRUSA-N 0 3 352.435 -0.656 20 0 FBADHN [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420040061 484832990 /nfs/dbraw/zinc/83/29/90/484832990.db2.gz LUKBNFVXJUMEDY-GDBMZVCRSA-N 0 3 374.441 -0.080 20 0 FBADHN [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420040068 484832908 /nfs/dbraw/zinc/83/29/08/484832908.db2.gz LUKBNFVXJUMEDY-GOEBONIOSA-N 0 3 374.441 -0.080 20 0 FBADHN [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420040071 484832725 /nfs/dbraw/zinc/83/27/25/484832725.db2.gz LUKBNFVXJUMEDY-HOCLYGCPSA-N 0 3 374.441 -0.080 20 0 FBADHN [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420040074 484832811 /nfs/dbraw/zinc/83/28/11/484832811.db2.gz LUKBNFVXJUMEDY-ZBFHGGJFSA-N 0 3 374.441 -0.080 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000420040272 484833131 /nfs/dbraw/zinc/83/31/31/484833131.db2.gz OTEKJWWWPKZBMA-CHWSQXEVSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000420040273 484832574 /nfs/dbraw/zinc/83/25/74/484832574.db2.gz OTEKJWWWPKZBMA-OLZOCXBDSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000420040274 484833334 /nfs/dbraw/zinc/83/33/34/484833334.db2.gz OTEKJWWWPKZBMA-QWHCGFSZSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000420040275 484833252 /nfs/dbraw/zinc/83/32/52/484833252.db2.gz OTEKJWWWPKZBMA-STQMWFEESA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000420040960 484832744 /nfs/dbraw/zinc/83/27/44/484832744.db2.gz PNKCBFZHQVZNLI-CHWSQXEVSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000420040961 484833061 /nfs/dbraw/zinc/83/30/61/484833061.db2.gz PNKCBFZHQVZNLI-OLZOCXBDSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000420040962 484832820 /nfs/dbraw/zinc/83/28/20/484832820.db2.gz PNKCBFZHQVZNLI-QWHCGFSZSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000420040963 484832716 /nfs/dbraw/zinc/83/27/16/484832716.db2.gz PNKCBFZHQVZNLI-STQMWFEESA-N 0 3 362.434 -0.646 20 0 FBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420042185 484822086 /nfs/dbraw/zinc/82/20/86/484822086.db2.gz QKJUUTBPTYXMGO-CABCVRRESA-N 0 3 370.494 -0.215 20 0 FBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420042187 484822374 /nfs/dbraw/zinc/82/23/74/484822374.db2.gz QKJUUTBPTYXMGO-GJZGRUSLSA-N 0 3 370.494 -0.215 20 0 FBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420042189 484821839 /nfs/dbraw/zinc/82/18/39/484821839.db2.gz QKJUUTBPTYXMGO-HUUCEWRRSA-N 0 3 370.494 -0.215 20 0 FBADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420042191 484822443 /nfs/dbraw/zinc/82/24/43/484822443.db2.gz QKJUUTBPTYXMGO-LSDHHAIUSA-N 0 3 370.494 -0.215 20 0 FBADHN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420042769 484822516 /nfs/dbraw/zinc/82/25/16/484822516.db2.gz QWRVMCTUEHEIAZ-AVGNSLFASA-N 0 3 354.451 -0.269 20 0 FBADHN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420042771 484822350 /nfs/dbraw/zinc/82/23/50/484822350.db2.gz QWRVMCTUEHEIAZ-RWMBFGLXSA-N 0 3 354.451 -0.269 20 0 FBADHN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420042772 484822102 /nfs/dbraw/zinc/82/21/02/484822102.db2.gz QWRVMCTUEHEIAZ-XQQFMLRXSA-N 0 3 354.451 -0.269 20 0 FBADHN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420042774 484822066 /nfs/dbraw/zinc/82/20/66/484822066.db2.gz QWRVMCTUEHEIAZ-YNEHKIRRSA-N 0 3 354.451 -0.269 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccccn2)CC1 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/nfs/dbraw/zinc/82/34/61/484823461.db2.gz ZNBLLXYVJZPBSC-WCFLWFBJSA-N 0 3 367.450 -0.722 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000420050804 484824349 /nfs/dbraw/zinc/82/43/49/484824349.db2.gz HNFRRZDQTZVIEA-CVEARBPZSA-N 0 3 370.409 -0.332 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000420050805 484823875 /nfs/dbraw/zinc/82/38/75/484823875.db2.gz HNFRRZDQTZVIEA-HOTGVXAUSA-N 0 3 370.409 -0.332 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000420050806 484823422 /nfs/dbraw/zinc/82/34/22/484823422.db2.gz HNFRRZDQTZVIEA-HZPDHXFCSA-N 0 3 370.409 -0.332 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000420050807 484824183 /nfs/dbraw/zinc/82/41/83/484824183.db2.gz HNFRRZDQTZVIEA-JKSUJKDBSA-N 0 3 370.409 -0.332 20 0 FBADHN [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000420052255 484824805 /nfs/dbraw/zinc/82/48/05/484824805.db2.gz CVEGDFCLIVTPLK-HNNXBMFYSA-N 0 3 360.414 -0.470 20 0 FBADHN [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000420052258 484825754 /nfs/dbraw/zinc/82/57/54/484825754.db2.gz CVEGDFCLIVTPLK-OAHLLOKOSA-N 0 3 360.414 -0.470 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000420052792 484825740 /nfs/dbraw/zinc/82/57/40/484825740.db2.gz CXPNMRBKXXUQIH-HNNXBMFYSA-N 0 3 362.405 -0.036 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000420052797 484824962 /nfs/dbraw/zinc/82/49/62/484824962.db2.gz CXPNMRBKXXUQIH-OAHLLOKOSA-N 0 3 362.405 -0.036 20 0 FBADHN Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC2)cs1 ZINC000420052885 484825169 /nfs/dbraw/zinc/82/51/69/484825169.db2.gz DBRMBJNOGAKTNW-AWEZNQCLSA-N 0 3 351.476 -0.051 20 0 FBADHN Cc1nc(CN2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)CC2)cs1 ZINC000420052886 484825262 /nfs/dbraw/zinc/82/52/62/484825262.db2.gz DBRMBJNOGAKTNW-CQSZACIVSA-N 0 3 351.476 -0.051 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000420053500 484825797 /nfs/dbraw/zinc/82/57/97/484825797.db2.gz GKXSESSZWQRIRG-GWCFXTLKSA-N 0 3 352.435 -0.657 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000420053501 484824798 /nfs/dbraw/zinc/82/47/98/484824798.db2.gz GKXSESSZWQRIRG-GXFFZTMASA-N 0 3 352.435 -0.657 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000420053502 484825867 /nfs/dbraw/zinc/82/58/67/484825867.db2.gz GKXSESSZWQRIRG-MFKMUULPSA-N 0 3 352.435 -0.657 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000420053503 484825331 /nfs/dbraw/zinc/82/53/31/484825331.db2.gz GKXSESSZWQRIRG-ZWNOBZJWSA-N 0 3 352.435 -0.657 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000420053631 484825510 /nfs/dbraw/zinc/82/55/10/484825510.db2.gz KLEZWMDGEXLIHR-CABCVRRESA-N 0 3 366.462 -0.530 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000420053632 484825617 /nfs/dbraw/zinc/82/56/17/484825617.db2.gz KLEZWMDGEXLIHR-GJZGRUSLSA-N 0 3 366.462 -0.530 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1 ZINC000420053633 484825452 /nfs/dbraw/zinc/82/54/52/484825452.db2.gz KLEZWMDGEXLIHR-HUUCEWRRSA-N 0 3 366.462 -0.530 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1 ZINC000420053634 484825656 /nfs/dbraw/zinc/82/56/56/484825656.db2.gz KLEZWMDGEXLIHR-LSDHHAIUSA-N 0 3 366.462 -0.530 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@H](CN)C2CC2)C[C@H](C)O1 ZINC000420054014 484825788 /nfs/dbraw/zinc/82/57/88/484825788.db2.gz FEZFUKPQRHDHDT-LQKXBSAESA-N 0 3 352.479 -0.060 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@H](CN)C2CC2)C[C@@H](C)O1 ZINC000420054017 484825368 /nfs/dbraw/zinc/82/53/68/484825368.db2.gz FEZFUKPQRHDHDT-LUYZLQTOSA-N 0 3 352.479 -0.060 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@@H](C)O1 ZINC000420054019 484824890 /nfs/dbraw/zinc/82/48/90/484824890.db2.gz FEZFUKPQRHDHDT-VDERGJSUSA-N 0 3 352.479 -0.060 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@H](C)O1 ZINC000420054021 484825550 /nfs/dbraw/zinc/82/55/50/484825550.db2.gz FEZFUKPQRHDHDT-XRGAULLZSA-N 0 3 352.479 -0.060 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1)C1CC1 ZINC000420054346 484825086 /nfs/dbraw/zinc/82/50/86/484825086.db2.gz FNMAKQUKHSZWTO-KSZLIROESA-N 0 3 372.469 -0.048 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1)C1CC1 ZINC000420054348 484825355 /nfs/dbraw/zinc/82/53/55/484825355.db2.gz FNMAKQUKHSZWTO-KURKYZTESA-N 0 3 372.469 -0.048 20 0 FBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420054595 484824914 /nfs/dbraw/zinc/82/49/14/484824914.db2.gz LEUFKKZJVCJYGG-HNNXBMFYSA-N 0 3 367.494 -0.757 20 0 FBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420054597 484825599 /nfs/dbraw/zinc/82/55/99/484825599.db2.gz LEUFKKZJVCJYGG-OAHLLOKOSA-N 0 3 367.494 -0.757 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000420055339 484825880 /nfs/dbraw/zinc/82/58/80/484825880.db2.gz GICWWNAKPZDCIK-HNNXBMFYSA-N 0 3 362.405 -0.036 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000420055341 484825213 /nfs/dbraw/zinc/82/52/13/484825213.db2.gz GICWWNAKPZDCIK-OAHLLOKOSA-N 0 3 362.405 -0.036 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420055828 484824784 /nfs/dbraw/zinc/82/47/84/484824784.db2.gz IDVDSJUAAHHMMZ-JHJVBQTASA-N 0 3 354.451 -0.267 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420055829 484825839 /nfs/dbraw/zinc/82/58/39/484825839.db2.gz IDVDSJUAAHHMMZ-UPJWGTAASA-N 0 3 354.451 -0.267 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420055830 484824791 /nfs/dbraw/zinc/82/47/91/484824791.db2.gz IDVDSJUAAHHMMZ-XQQFMLRXSA-N 0 3 354.451 -0.267 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420055831 484825379 /nfs/dbraw/zinc/82/53/79/484825379.db2.gz IDVDSJUAAHHMMZ-YNEHKIRRSA-N 0 3 354.451 -0.267 20 0 FBADHN C[NH+](C)CC[C@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000420056228 484825006 /nfs/dbraw/zinc/82/50/06/484825006.db2.gz ZFRSPCQYANVHHZ-HNNXBMFYSA-N 0 3 361.439 -0.077 20 0 FBADHN C[NH+](C)CC[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000420056232 484825534 /nfs/dbraw/zinc/82/55/34/484825534.db2.gz ZFRSPCQYANVHHZ-OAHLLOKOSA-N 0 3 361.439 -0.077 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C[C@@H](C)O1 ZINC000420056615 484825809 /nfs/dbraw/zinc/82/58/09/484825809.db2.gz ISGVXNIPIQXKJE-DDHJBXDOSA-N 0 3 357.407 -0.996 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@@H](C)O1 ZINC000420056618 484825344 /nfs/dbraw/zinc/82/53/44/484825344.db2.gz ISGVXNIPIQXKJE-NOOOWODRSA-N 0 3 357.407 -0.996 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@@H](C)O1 ZINC000420056621 484825486 /nfs/dbraw/zinc/82/54/86/484825486.db2.gz ISGVXNIPIQXKJE-WISYIIOYSA-N 0 3 357.407 -0.996 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C[C@@H](C)O1 ZINC000420056624 484825684 /nfs/dbraw/zinc/82/56/84/484825684.db2.gz ISGVXNIPIQXKJE-WRWGMCAJSA-N 0 3 357.407 -0.996 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420058102 484825274 /nfs/dbraw/zinc/82/52/74/484825274.db2.gz NXLJVQKFIHCBLS-CYBMUJFWSA-N 0 3 360.480 -0.886 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420058105 484824816 /nfs/dbraw/zinc/82/48/16/484824816.db2.gz NXLJVQKFIHCBLS-ZDUSSCGKSA-N 0 3 360.480 -0.886 20 0 FBADHN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420058784 484825894 /nfs/dbraw/zinc/82/58/94/484825894.db2.gz JACXXXPVWLYBHO-KBPBESRZSA-N 0 3 361.446 -0.019 20 0 FBADHN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420058786 484825132 /nfs/dbraw/zinc/82/51/32/484825132.db2.gz JACXXXPVWLYBHO-KGLIPLIRSA-N 0 3 361.446 -0.019 20 0 FBADHN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420058788 484825642 /nfs/dbraw/zinc/82/56/42/484825642.db2.gz JACXXXPVWLYBHO-UONOGXRCSA-N 0 3 361.446 -0.019 20 0 FBADHN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420058790 484825473 /nfs/dbraw/zinc/82/54/73/484825473.db2.gz JACXXXPVWLYBHO-ZIAGYGMSSA-N 0 3 361.446 -0.019 20 0 FBADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420059019 484825068 /nfs/dbraw/zinc/82/50/68/484825068.db2.gz FVRUGPCNSKMFFO-CHWSQXEVSA-N 0 3 357.476 -0.015 20 0 FBADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420059021 484824843 /nfs/dbraw/zinc/82/48/43/484824843.db2.gz FVRUGPCNSKMFFO-OLZOCXBDSA-N 0 3 357.476 -0.015 20 0 FBADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420059023 484825769 /nfs/dbraw/zinc/82/57/69/484825769.db2.gz FVRUGPCNSKMFFO-QWHCGFSZSA-N 0 3 357.476 -0.015 20 0 FBADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420059025 484825697 /nfs/dbraw/zinc/82/56/97/484825697.db2.gz FVRUGPCNSKMFFO-STQMWFEESA-N 0 3 357.476 -0.015 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C1CC1 ZINC000420059409 484825500 /nfs/dbraw/zinc/82/55/00/484825500.db2.gz JQUCVNHPMLIQAJ-HNNXBMFYSA-N 0 3 359.430 -0.712 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C1CC1 ZINC000420059413 484826630 /nfs/dbraw/zinc/82/66/30/484826630.db2.gz JQUCVNHPMLIQAJ-OAHLLOKOSA-N 0 3 359.430 -0.712 20 0 FBADHN CCOc1cccc(N2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC2)n1 ZINC000420060322 484827048 /nfs/dbraw/zinc/82/70/48/484827048.db2.gz KHYPUWJRVPKDTB-AWEZNQCLSA-N 0 3 361.446 -0.018 20 0 FBADHN CCOc1cccc(N2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)CC2)n1 ZINC000420060325 484826508 /nfs/dbraw/zinc/82/65/08/484826508.db2.gz KHYPUWJRVPKDTB-CQSZACIVSA-N 0 3 361.446 -0.018 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C[C@H]1C ZINC000420061521 484826257 /nfs/dbraw/zinc/82/62/57/484826257.db2.gz LXOXJZOWNJTARJ-BDBYMAIGSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C[C@H]1C ZINC000420061522 484826932 /nfs/dbraw/zinc/82/69/32/484826932.db2.gz LXOXJZOWNJTARJ-UZTWBRENSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@H]1C ZINC000420061523 484826974 /nfs/dbraw/zinc/82/69/74/484826974.db2.gz LXOXJZOWNJTARJ-XSLLRJJBSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@H]1C ZINC000420061524 484827029 /nfs/dbraw/zinc/82/70/29/484827029.db2.gz LXOXJZOWNJTARJ-YXPOGWMNSA-N 0 3 355.435 -0.127 20 0 FBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420062350 484826299 /nfs/dbraw/zinc/82/62/99/484826299.db2.gz MGHYOOAVMQLRLS-BNOWGMLFSA-N 0 3 354.451 -0.770 20 0 FBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420062353 484826487 /nfs/dbraw/zinc/82/64/87/484826487.db2.gz MGHYOOAVMQLRLS-IACUBPJLSA-N 0 3 354.451 -0.770 20 0 FBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420062355 484827057 /nfs/dbraw/zinc/82/70/57/484827057.db2.gz MGHYOOAVMQLRLS-MRVWCRGKSA-N 0 3 354.451 -0.770 20 0 FBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420062356 484827180 /nfs/dbraw/zinc/82/71/80/484827180.db2.gz MGHYOOAVMQLRLS-YUTCNCBUSA-N 0 3 354.451 -0.770 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C1CCCC1 ZINC000420062795 484826995 /nfs/dbraw/zinc/82/69/95/484826995.db2.gz CMZKGYKDUPRHIM-KBPBESRZSA-N 0 3 351.451 -0.317 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C1CCCC1 ZINC000420062798 484827354 /nfs/dbraw/zinc/82/73/54/484827354.db2.gz CMZKGYKDUPRHIM-KGLIPLIRSA-N 0 3 351.451 -0.317 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C1CCCC1 ZINC000420062801 484827119 /nfs/dbraw/zinc/82/71/19/484827119.db2.gz CMZKGYKDUPRHIM-UONOGXRCSA-N 0 3 351.451 -0.317 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C1CCCC1 ZINC000420062804 484827345 /nfs/dbraw/zinc/82/73/45/484827345.db2.gz CMZKGYKDUPRHIM-ZIAGYGMSSA-N 0 3 351.451 -0.317 20 0 FBADHN 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484827285 /nfs/dbraw/zinc/82/72/85/484827285.db2.gz PAYOLXPCQVGTOK-YNEHKIRRSA-N 0 3 354.451 -0.315 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1=O ZINC000420065285 484826921 /nfs/dbraw/zinc/82/69/21/484826921.db2.gz PKUYZCFHBIMJKR-CHWSQXEVSA-N 0 3 354.451 -0.458 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1=O ZINC000420065286 484827169 /nfs/dbraw/zinc/82/71/69/484827169.db2.gz PKUYZCFHBIMJKR-OLZOCXBDSA-N 0 3 354.451 -0.458 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1=O ZINC000420065287 484826621 /nfs/dbraw/zinc/82/66/21/484826621.db2.gz PKUYZCFHBIMJKR-QWHCGFSZSA-N 0 3 354.451 -0.458 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1=O ZINC000420065288 484827019 /nfs/dbraw/zinc/82/70/19/484827019.db2.gz PKUYZCFHBIMJKR-STQMWFEESA-N 0 3 354.451 -0.458 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)C1CC1 ZINC000420065378 484827193 /nfs/dbraw/zinc/82/71/93/484827193.db2.gz PPUOGJLFKOFOEM-INIZCTEOSA-N 0 3 358.442 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/nfs/dbraw/zinc/82/65/61/484826561.db2.gz WJXUMEKURACDOJ-UKRRQHHQSA-N 0 3 354.495 -0.076 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420066268 484826766 /nfs/dbraw/zinc/82/67/66/484826766.db2.gz WJXUMEKURACDOJ-ZFWWWQNUSA-N 0 3 354.495 -0.076 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000420066451 484827133 /nfs/dbraw/zinc/82/71/33/484827133.db2.gz QRSMCDOMYRICAO-HZSPNIEDSA-N 0 3 370.494 -0.481 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000420066452 484827399 /nfs/dbraw/zinc/82/73/99/484827399.db2.gz QRSMCDOMYRICAO-IHRRRGAJSA-N 0 3 370.494 -0.481 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000420066453 484826424 /nfs/dbraw/zinc/82/64/24/484826424.db2.gz QRSMCDOMYRICAO-MELADBBJSA-N 0 3 370.494 -0.481 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000420066454 484827238 /nfs/dbraw/zinc/82/72/38/484827238.db2.gz 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CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420067112 484828038 /nfs/dbraw/zinc/82/80/38/484828038.db2.gz RYHJZHMKEAURFH-CQSZACIVSA-N 0 3 358.398 -0.406 20 0 FBADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CCN2C1=O ZINC000420067728 484827967 /nfs/dbraw/zinc/82/79/67/484827967.db2.gz SXYCXMKDWNEFBA-KBPBESRZSA-N 0 3 351.451 -0.556 20 0 FBADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CCN2C1=O ZINC000420067729 484828025 /nfs/dbraw/zinc/82/80/25/484828025.db2.gz SXYCXMKDWNEFBA-KGLIPLIRSA-N 0 3 351.451 -0.556 20 0 FBADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CCN2C1=O ZINC000420067731 484829090 /nfs/dbraw/zinc/82/90/90/484829090.db2.gz SXYCXMKDWNEFBA-UONOGXRCSA-N 0 3 351.451 -0.556 20 0 FBADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CCN2C1=O ZINC000420067732 484828318 /nfs/dbraw/zinc/82/83/18/484828318.db2.gz SXYCXMKDWNEFBA-ZIAGYGMSSA-N 0 3 351.451 -0.556 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000420069184 484828868 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/nfs/dbraw/zinc/82/81/20/484828120.db2.gz KCAGODICRUVGAD-MRXNPFEDSA-N 0 3 373.457 0.000 20 0 FBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420070626 484828216 /nfs/dbraw/zinc/82/82/16/484828216.db2.gz KCHOPBVBVWJJRL-INIZCTEOSA-N 0 3 370.494 -0.574 20 0 FBADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420070627 484828143 /nfs/dbraw/zinc/82/81/43/484828143.db2.gz KCHOPBVBVWJJRL-MRXNPFEDSA-N 0 3 370.494 -0.574 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420070897 484828188 /nfs/dbraw/zinc/82/81/88/484828188.db2.gz KKQSYVKDOYMCON-AWEZNQCLSA-N 0 3 368.478 -0.284 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420070899 484828904 /nfs/dbraw/zinc/82/89/04/484828904.db2.gz KKQSYVKDOYMCON-CQSZACIVSA-N 0 3 368.478 -0.284 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000420072128 484828824 /nfs/dbraw/zinc/82/88/24/484828824.db2.gz XAASEZNJUBFQOW-GXTWGEPZSA-N 0 3 364.450 -0.254 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000420072129 484828368 /nfs/dbraw/zinc/82/83/68/484828368.db2.gz XAASEZNJUBFQOW-JSGCOSHPSA-N 0 3 364.450 -0.254 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000420072130 484828653 /nfs/dbraw/zinc/82/86/53/484828653.db2.gz XAASEZNJUBFQOW-OCCSQVGLSA-N 0 3 364.450 -0.254 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000420072132 484829071 /nfs/dbraw/zinc/82/90/71/484829071.db2.gz XAASEZNJUBFQOW-TZMCWYRMSA-N 0 3 364.450 -0.254 20 0 FBADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420072657 484839062 /nfs/dbraw/zinc/83/90/62/484839062.db2.gz ZGJIFBARRZESKU-CXAGYDPISA-N 0 3 355.435 -0.342 20 0 FBADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420072658 484838795 /nfs/dbraw/zinc/83/87/95/484838795.db2.gz ZGJIFBARRZESKU-DYVFJYSZSA-N 0 3 355.435 -0.342 20 0 FBADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420072659 484838579 /nfs/dbraw/zinc/83/85/79/484838579.db2.gz ZGJIFBARRZESKU-GUYCJALGSA-N 0 3 355.435 -0.342 20 0 FBADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420072660 484838949 /nfs/dbraw/zinc/83/89/49/484838949.db2.gz ZGJIFBARRZESKU-SUMWQHHRSA-N 0 3 355.435 -0.342 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CCN1S(C)(=O)=O ZINC000420072767 484838206 /nfs/dbraw/zinc/83/82/06/484838206.db2.gz NKEUZCJPBXIIBT-AAEUAGOBSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CCN1S(C)(=O)=O ZINC000420072768 484838320 /nfs/dbraw/zinc/83/83/20/484838320.db2.gz NKEUZCJPBXIIBT-WCQYABFASA-N 0 3 360.480 -0.888 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@@H]1C ZINC000420073751 484833050 /nfs/dbraw/zinc/83/30/50/484833050.db2.gz YOMQFJXJHHIVDM-LOWDOPEQSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@H]1C ZINC000420073752 484833211 /nfs/dbraw/zinc/83/32/11/484833211.db2.gz YOMQFJXJHHIVDM-LPWJVIDDSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@@H]1C ZINC000420073753 484832937 /nfs/dbraw/zinc/83/29/37/484832937.db2.gz YOMQFJXJHHIVDM-RVMXOQNASA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@H]1C ZINC000420073754 484832804 /nfs/dbraw/zinc/83/28/04/484832804.db2.gz YOMQFJXJHHIVDM-XQHKEYJVSA-N 0 3 355.435 -0.127 20 0 FBADHN Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420073920 484833150 /nfs/dbraw/zinc/83/31/50/484833150.db2.gz PKHJMXIRUOIIQL-HNNXBMFYSA-N 0 3 362.478 -0.302 20 0 FBADHN Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420073922 484832856 /nfs/dbraw/zinc/83/28/56/484832856.db2.gz PKHJMXIRUOIIQL-OAHLLOKOSA-N 0 3 362.478 -0.302 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C1CCCC1 ZINC000420073965 484832950 /nfs/dbraw/zinc/83/29/50/484832950.db2.gz PNDKQXBDQZOQAT-CVEARBPZSA-N 0 3 352.479 -0.057 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C1CCCC1 ZINC000420073966 484833076 /nfs/dbraw/zinc/83/30/76/484833076.db2.gz PNDKQXBDQZOQAT-HOTGVXAUSA-N 0 3 352.479 -0.057 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C1CCCC1 ZINC000420073967 484832737 /nfs/dbraw/zinc/83/27/37/484832737.db2.gz PNDKQXBDQZOQAT-HZPDHXFCSA-N 0 3 352.479 -0.057 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C1CCCC1 ZINC000420073968 484832705 /nfs/dbraw/zinc/83/27/05/484832705.db2.gz PNDKQXBDQZOQAT-JKSUJKDBSA-N 0 3 352.479 -0.057 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000420074413 484833041 /nfs/dbraw/zinc/83/30/41/484833041.db2.gz ZLJHMSKEKPAWNR-HZSPNIEDSA-N 0 3 370.494 -0.481 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000420074414 484832510 /nfs/dbraw/zinc/83/25/10/484832510.db2.gz ZLJHMSKEKPAWNR-IHRRRGAJSA-N 0 3 370.494 -0.481 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000420074415 484833200 /nfs/dbraw/zinc/83/32/00/484833200.db2.gz ZLJHMSKEKPAWNR-MELADBBJSA-N 0 3 370.494 -0.481 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000420074416 484832455 /nfs/dbraw/zinc/83/24/55/484832455.db2.gz ZLJHMSKEKPAWNR-RDBSUJKOSA-N 0 3 370.494 -0.481 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1=O ZINC000420074616 484832760 /nfs/dbraw/zinc/83/27/60/484832760.db2.gz QZIKXXLUAUCNEC-AWEZNQCLSA-N 0 3 354.451 -0.673 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1=O ZINC000420074617 484832596 /nfs/dbraw/zinc/83/25/96/484832596.db2.gz QZIKXXLUAUCNEC-CQSZACIVSA-N 0 3 354.451 -0.673 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000420074746 484833325 /nfs/dbraw/zinc/83/33/25/484833325.db2.gz ZRNOVXNRPBTJGT-GHMZBOCLSA-N 0 3 366.384 -0.078 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000420074747 484832690 /nfs/dbraw/zinc/83/26/90/484832690.db2.gz ZRNOVXNRPBTJGT-MNOVXSKESA-N 0 3 366.384 -0.078 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000420074748 484833013 /nfs/dbraw/zinc/83/30/13/484833013.db2.gz ZRNOVXNRPBTJGT-QWRGUYRKSA-N 0 3 366.384 -0.078 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000420074749 484833104 /nfs/dbraw/zinc/83/31/04/484833104.db2.gz ZRNOVXNRPBTJGT-WDEREUQCSA-N 0 3 366.384 -0.078 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@@H](C)C1=O ZINC000420074846 484833316 /nfs/dbraw/zinc/83/33/16/484833316.db2.gz ZZCWMBNHDQQSJX-IHRRRGAJSA-N 0 3 368.478 -0.069 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)[C@H](C)C1=O ZINC000420074847 484833086 /nfs/dbraw/zinc/83/30/86/484833086.db2.gz ZZCWMBNHDQQSJX-MCIONIFRSA-N 0 3 368.478 -0.069 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)[C@@H](C)C1=O ZINC000420074848 484832487 /nfs/dbraw/zinc/83/24/87/484832487.db2.gz ZZCWMBNHDQQSJX-MJBXVCDLSA-N 0 3 368.478 -0.069 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@H](C)C1=O ZINC000420074849 484832784 /nfs/dbraw/zinc/83/27/84/484832784.db2.gz ZZCWMBNHDQQSJX-RDBSUJKOSA-N 0 3 368.478 -0.069 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)CC2=O)cn1 ZINC000420074860 484833178 /nfs/dbraw/zinc/83/31/78/484833178.db2.gz RBCPQAICCPNZSL-AWEZNQCLSA-N 0 3 362.434 -0.771 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)N[C@H](CN)C3CCCC3)CC2=O)cn1 ZINC000420074861 484832890 /nfs/dbraw/zinc/83/28/90/484832890.db2.gz RBCPQAICCPNZSL-CQSZACIVSA-N 0 3 362.434 -0.771 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000420075489 484832962 /nfs/dbraw/zinc/83/29/62/484832962.db2.gz SQTLNBZIMMQUOC-GDBMZVCRSA-N 0 3 352.479 -0.199 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000420075490 484832417 /nfs/dbraw/zinc/83/24/17/484832417.db2.gz SQTLNBZIMMQUOC-GOEBONIOSA-N 0 3 352.479 -0.199 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000420075491 484833290 /nfs/dbraw/zinc/83/32/90/484833290.db2.gz SQTLNBZIMMQUOC-HOCLYGCPSA-N 0 3 352.479 -0.199 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000420075492 484833026 /nfs/dbraw/zinc/83/30/26/484833026.db2.gz SQTLNBZIMMQUOC-ZBFHGGJFSA-N 0 3 352.479 -0.199 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420075809 484832561 /nfs/dbraw/zinc/83/25/61/484832561.db2.gz UDPKAHXWVONEMR-CHWSQXEVSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420075810 484832844 /nfs/dbraw/zinc/83/28/44/484832844.db2.gz UDPKAHXWVONEMR-OLZOCXBDSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420075811 484832925 /nfs/dbraw/zinc/83/29/25/484832925.db2.gz UDPKAHXWVONEMR-QWHCGFSZSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420075812 484833221 /nfs/dbraw/zinc/83/32/21/484833221.db2.gz UDPKAHXWVONEMR-STQMWFEESA-N 0 3 360.480 -0.840 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420079226 484833940 /nfs/dbraw/zinc/83/39/40/484833940.db2.gz DXLLVVPHMJRQSK-KBPBESRZSA-N 0 3 374.507 -0.451 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420079227 484834482 /nfs/dbraw/zinc/83/44/82/484834482.db2.gz DXLLVVPHMJRQSK-KGLIPLIRSA-N 0 3 374.507 -0.451 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420079228 484834068 /nfs/dbraw/zinc/83/40/68/484834068.db2.gz DXLLVVPHMJRQSK-UONOGXRCSA-N 0 3 374.507 -0.451 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420079229 484834022 /nfs/dbraw/zinc/83/40/22/484834022.db2.gz DXLLVVPHMJRQSK-ZIAGYGMSSA-N 0 3 374.507 -0.451 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C1CCCC1 ZINC000420079909 484551632 /nfs/dbraw/zinc/55/16/32/484551632.db2.gz FRYDYTMZZWHVSR-LLVKDONJSA-N 0 3 367.479 -0.597 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C1CCCC1 ZINC000420079910 484551741 /nfs/dbraw/zinc/55/17/41/484551741.db2.gz FRYDYTMZZWHVSR-NSHDSACASA-N 0 3 367.479 -0.597 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(C2CCOCC2)CC1)C1CCCC1 ZINC000420081803 484834623 /nfs/dbraw/zinc/83/46/23/484834623.db2.gz IYMQYLNSYHXWPJ-INIZCTEOSA-N 0 3 352.479 -0.057 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(C2CCOCC2)CC1)C1CCCC1 ZINC000420081805 484834779 /nfs/dbraw/zinc/83/47/79/484834779.db2.gz IYMQYLNSYHXWPJ-MRXNPFEDSA-N 0 3 352.479 -0.057 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420082658 484833964 /nfs/dbraw/zinc/83/39/64/484833964.db2.gz JTCOVQIRMUYDFB-HNNXBMFYSA-N 0 3 367.494 -0.711 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420082660 484834085 /nfs/dbraw/zinc/83/40/85/484834085.db2.gz JTCOVQIRMUYDFB-OAHLLOKOSA-N 0 3 367.494 -0.711 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000420088176 484834706 /nfs/dbraw/zinc/83/47/06/484834706.db2.gz HLMPLMCOYXKLLD-UHFFFAOYSA-N 0 3 360.458 -0.179 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C1CCCC1 ZINC000420089028 484834043 /nfs/dbraw/zinc/83/40/43/484834043.db2.gz RNKXIMMHQTWWJW-AWEZNQCLSA-N 0 3 364.425 -0.102 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C1CCCC1 ZINC000420089029 484833771 /nfs/dbraw/zinc/83/37/71/484833771.db2.gz RNKXIMMHQTWWJW-CQSZACIVSA-N 0 3 364.425 -0.102 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CCCC1 ZINC000420094738 484836008 /nfs/dbraw/zinc/83/60/08/484836008.db2.gz YJAFLNPVVUVYBP-HNNXBMFYSA-N 0 3 365.478 -0.957 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CCCC1 ZINC000420094739 484835780 /nfs/dbraw/zinc/83/57/80/484835780.db2.gz YJAFLNPVVUVYBP-OAHLLOKOSA-N 0 3 365.478 -0.957 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)CC1=O ZINC000420095281 484835756 /nfs/dbraw/zinc/83/57/56/484835756.db2.gz FNJNHYVSOQRLSF-UHFFFAOYSA-N 0 3 374.441 -0.387 20 0 FBADHN [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000420096004 484836062 /nfs/dbraw/zinc/83/60/62/484836062.db2.gz UDGJYCRKWNAYJY-UHFFFAOYSA-N 0 3 360.414 -0.326 20 0 FBADHN O=C(N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCNC(=O)C1 ZINC000420097994 484835618 /nfs/dbraw/zinc/83/56/18/484835618.db2.gz LNRLARRFCGSAHY-BXUZGUMPSA-N 0 3 366.368 -0.515 20 0 FBADHN O=C(N[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1)C(=O)N1CCNC(=O)C1 ZINC000420097995 484835236 /nfs/dbraw/zinc/83/52/36/484835236.db2.gz LNRLARRFCGSAHY-FZMZJTMJSA-N 0 3 366.368 -0.515 20 0 FBADHN O=C(N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCNC(=O)C1 ZINC000420097996 484835947 /nfs/dbraw/zinc/83/59/47/484835947.db2.gz LNRLARRFCGSAHY-RISCZKNCSA-N 0 3 366.368 -0.515 20 0 FBADHN O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)C(=O)N1CCNC(=O)C1 ZINC000420097997 484835929 /nfs/dbraw/zinc/83/59/29/484835929.db2.gz LNRLARRFCGSAHY-SMDDNHRTSA-N 0 3 366.368 -0.515 20 0 FBADHN COCCN1CCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)CC1=O ZINC000420099432 484835594 /nfs/dbraw/zinc/83/55/94/484835594.db2.gz JQYSBSSRHGQYKB-UHFFFAOYSA-N 0 3 360.414 -0.777 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)C[C@@H](C)O1 ZINC000420108232 484835210 /nfs/dbraw/zinc/83/52/10/484835210.db2.gz XALOMBTXWZWNJN-IAQYHMDHSA-N 0 3 361.398 -0.305 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000420112499 484837310 /nfs/dbraw/zinc/83/73/10/484837310.db2.gz BARVNNGQQJPSKH-CYBMUJFWSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000420112503 484836509 /nfs/dbraw/zinc/83/65/09/484836509.db2.gz BARVNNGQQJPSKH-ZDUSSCGKSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000420114690 484837165 /nfs/dbraw/zinc/83/71/65/484837165.db2.gz DMHCTCDZSKWJMO-AWEZNQCLSA-N 0 3 361.446 0.000 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000420114691 484837551 /nfs/dbraw/zinc/83/75/51/484837551.db2.gz DMHCTCDZSKWJMO-CQSZACIVSA-N 0 3 361.446 0.000 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000420115207 484837330 /nfs/dbraw/zinc/83/73/30/484837330.db2.gz FBXXEWODWABXLY-KBXCAEBGSA-N 0 3 368.478 -0.404 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000420115208 484837526 /nfs/dbraw/zinc/83/75/26/484837526.db2.gz FBXXEWODWABXLY-KDOFPFPSSA-N 0 3 368.478 -0.404 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000420115210 484837228 /nfs/dbraw/zinc/83/72/28/484837228.db2.gz FBXXEWODWABXLY-KSSFIOAISA-N 0 3 368.478 -0.404 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000420115211 484836763 /nfs/dbraw/zinc/83/67/63/484836763.db2.gz FBXXEWODWABXLY-RDTXWAMCSA-N 0 3 368.478 -0.404 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420118823 484836715 /nfs/dbraw/zinc/83/67/15/484836715.db2.gz IXFLBAFIIYCABN-CYBMUJFWSA-N 0 3 374.507 -0.307 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420118826 484837287 /nfs/dbraw/zinc/83/72/87/484837287.db2.gz IXFLBAFIIYCABN-ZDUSSCGKSA-N 0 3 374.507 -0.307 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000420120268 484837096 /nfs/dbraw/zinc/83/70/96/484837096.db2.gz KKNCQSNWOHKUDV-GFCCVEGCSA-N 0 3 350.423 -0.771 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000420120271 484836941 /nfs/dbraw/zinc/83/69/41/484836941.db2.gz KKNCQSNWOHKUDV-LBPRGKRZSA-N 0 3 350.423 -0.771 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420120705 484836733 /nfs/dbraw/zinc/83/67/33/484836733.db2.gz KPQFUQIJZJKPAF-CABCVRRESA-N 0 3 368.478 -0.283 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420120708 484836813 /nfs/dbraw/zinc/83/68/13/484836813.db2.gz KPQFUQIJZJKPAF-GJZGRUSLSA-N 0 3 368.478 -0.283 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420120711 484836659 /nfs/dbraw/zinc/83/66/59/484836659.db2.gz KPQFUQIJZJKPAF-HUUCEWRRSA-N 0 3 368.478 -0.283 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420120713 484837071 /nfs/dbraw/zinc/83/70/71/484837071.db2.gz KPQFUQIJZJKPAF-LSDHHAIUSA-N 0 3 368.478 -0.283 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000420120898 484838995 /nfs/dbraw/zinc/83/89/95/484838995.db2.gz LASYLMDIFVQLBK-KBPBESRZSA-N 0 3 356.467 -0.284 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000420120900 484838893 /nfs/dbraw/zinc/83/88/93/484838893.db2.gz LASYLMDIFVQLBK-KGLIPLIRSA-N 0 3 356.467 -0.284 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000420120902 484838624 /nfs/dbraw/zinc/83/86/24/484838624.db2.gz LASYLMDIFVQLBK-UONOGXRCSA-N 0 3 356.467 -0.284 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000420120905 484838722 /nfs/dbraw/zinc/83/87/22/484838722.db2.gz LASYLMDIFVQLBK-ZIAGYGMSSA-N 0 3 356.467 -0.284 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000420122256 484844098 /nfs/dbraw/zinc/84/40/98/484844098.db2.gz MKVZXPSETLRZEC-CYBMUJFWSA-N 0 3 374.449 -0.593 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000420122262 484844577 /nfs/dbraw/zinc/84/45/77/484844577.db2.gz MKVZXPSETLRZEC-ZDUSSCGKSA-N 0 3 374.449 -0.593 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000420122274 484844716 /nfs/dbraw/zinc/84/47/16/484844716.db2.gz MLHPQYFWFAMDKW-KBPBESRZSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000420122277 484844845 /nfs/dbraw/zinc/84/48/45/484844845.db2.gz MLHPQYFWFAMDKW-KGLIPLIRSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000420122279 484844479 /nfs/dbraw/zinc/84/44/79/484844479.db2.gz MLHPQYFWFAMDKW-UONOGXRCSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000420122282 484844666 /nfs/dbraw/zinc/84/46/66/484844666.db2.gz MLHPQYFWFAMDKW-ZIAGYGMSSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000420122437 484844323 /nfs/dbraw/zinc/84/43/23/484844323.db2.gz MUIYIWROEJNLOE-CYBMUJFWSA-N 0 3 352.439 -0.344 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000420122438 484844523 /nfs/dbraw/zinc/84/45/23/484844523.db2.gz MUIYIWROEJNLOE-ZDUSSCGKSA-N 0 3 352.439 -0.344 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000420126501 484846104 /nfs/dbraw/zinc/84/61/04/484846104.db2.gz QOIWIYQMPYBHPH-AWEZNQCLSA-N 0 3 350.467 -0.302 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000420126503 484846022 /nfs/dbraw/zinc/84/60/22/484846022.db2.gz QOIWIYQMPYBHPH-CQSZACIVSA-N 0 3 350.467 -0.302 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000420126593 484845934 /nfs/dbraw/zinc/84/59/34/484845934.db2.gz QVUMZCHTZOHRID-AWEZNQCLSA-N 0 3 355.483 -0.757 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000420126594 484846551 /nfs/dbraw/zinc/84/65/51/484846551.db2.gz QVUMZCHTZOHRID-CQSZACIVSA-N 0 3 355.483 -0.757 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000420127525 484846382 /nfs/dbraw/zinc/84/63/82/484846382.db2.gz RWVDVEPAXGDBRO-KBPBESRZSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000420127526 484846032 /nfs/dbraw/zinc/84/60/32/484846032.db2.gz RWVDVEPAXGDBRO-KGLIPLIRSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000420127527 484845719 /nfs/dbraw/zinc/84/57/19/484845719.db2.gz RWVDVEPAXGDBRO-UONOGXRCSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000420127529 484846091 /nfs/dbraw/zinc/84/60/91/484846091.db2.gz RWVDVEPAXGDBRO-ZIAGYGMSSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000420130883 484845559 /nfs/dbraw/zinc/84/55/59/484845559.db2.gz WRUDAVRWWHNENE-DZGCQCFKSA-N 0 3 367.494 -0.569 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000420130885 484846442 /nfs/dbraw/zinc/84/64/42/484846442.db2.gz WRUDAVRWWHNENE-HIFRSBDPSA-N 0 3 367.494 -0.569 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000420130888 484845904 /nfs/dbraw/zinc/84/59/04/484845904.db2.gz WRUDAVRWWHNENE-UKRRQHHQSA-N 0 3 367.494 -0.569 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000420130891 484845759 /nfs/dbraw/zinc/84/57/59/484845759.db2.gz WRUDAVRWWHNENE-ZFWWWQNUSA-N 0 3 367.494 -0.569 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000420134552 484845650 /nfs/dbraw/zinc/84/56/50/484845650.db2.gz BSHKFBNVGCMNRL-CABCVRRESA-N 0 3 366.466 -0.244 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000420134561 484846260 /nfs/dbraw/zinc/84/62/60/484846260.db2.gz BSHKFBNVGCMNRL-GJZGRUSLSA-N 0 3 366.466 -0.244 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000420134569 484846574 /nfs/dbraw/zinc/84/65/74/484846574.db2.gz BSHKFBNVGCMNRL-HUUCEWRRSA-N 0 3 366.466 -0.244 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000420134575 484845998 /nfs/dbraw/zinc/84/59/98/484845998.db2.gz BSHKFBNVGCMNRL-LSDHHAIUSA-N 0 3 366.466 -0.244 20 0 FBADHN C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420135958 484847762 /nfs/dbraw/zinc/84/77/62/484847762.db2.gz CNYKSRUBURNLKP-BBRMVZONSA-N 0 3 374.441 -0.067 20 0 FBADHN C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420135960 484848194 /nfs/dbraw/zinc/84/81/94/484848194.db2.gz CNYKSRUBURNLKP-CJNGLKHVSA-N 0 3 374.441 -0.067 20 0 FBADHN C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420135962 484847931 /nfs/dbraw/zinc/84/79/31/484847931.db2.gz CNYKSRUBURNLKP-CZUORRHYSA-N 0 3 374.441 -0.067 20 0 FBADHN C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420135964 484847118 /nfs/dbraw/zinc/84/71/18/484847118.db2.gz CNYKSRUBURNLKP-XJKSGUPXSA-N 0 3 374.441 -0.067 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000420135971 484524758 /nfs/dbraw/zinc/52/47/58/484524758.db2.gz CPISBMOGNSKBNJ-JTQLQIEISA-N 0 3 355.468 -0.597 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000420135973 484526890 /nfs/dbraw/zinc/52/68/90/484526890.db2.gz CPISBMOGNSKBNJ-SNVBAGLBSA-N 0 3 355.468 -0.597 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000420137830 484847157 /nfs/dbraw/zinc/84/71/57/484847157.db2.gz DWWJOFFHHZHPCZ-KBPBESRZSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000420137834 484847810 /nfs/dbraw/zinc/84/78/10/484847810.db2.gz DWWJOFFHHZHPCZ-KGLIPLIRSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000420137836 484847947 /nfs/dbraw/zinc/84/79/47/484847947.db2.gz DWWJOFFHHZHPCZ-UONOGXRCSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000420137840 484847511 /nfs/dbraw/zinc/84/75/11/484847511.db2.gz DWWJOFFHHZHPCZ-ZIAGYGMSSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000420138004 484847963 /nfs/dbraw/zinc/84/79/63/484847963.db2.gz FGTLAELQRBXHET-CABCVRRESA-N 0 3 369.510 -0.321 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000420138005 484848073 /nfs/dbraw/zinc/84/80/73/484848073.db2.gz FGTLAELQRBXHET-GJZGRUSLSA-N 0 3 369.510 -0.321 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000420138006 484847618 /nfs/dbraw/zinc/84/76/18/484847618.db2.gz FGTLAELQRBXHET-HUUCEWRRSA-N 0 3 369.510 -0.321 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000420138007 484847462 /nfs/dbraw/zinc/84/74/62/484847462.db2.gz FGTLAELQRBXHET-LSDHHAIUSA-N 0 3 369.510 -0.321 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000420138665 484847787 /nfs/dbraw/zinc/84/77/87/484847787.db2.gz FZUGQXGKJTVEFA-HNNXBMFYSA-N 0 3 367.494 -0.613 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000420138668 484848046 /nfs/dbraw/zinc/84/80/46/484848046.db2.gz FZUGQXGKJTVEFA-OAHLLOKOSA-N 0 3 367.494 -0.613 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000420139337 484847641 /nfs/dbraw/zinc/84/76/41/484847641.db2.gz GBGWQBSTBHZYBA-CYBMUJFWSA-N 0 3 364.450 -0.233 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000420139341 484847630 /nfs/dbraw/zinc/84/76/30/484847630.db2.gz GBGWQBSTBHZYBA-ZDUSSCGKSA-N 0 3 364.450 -0.233 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000420143367 484848221 /nfs/dbraw/zinc/84/82/21/484848221.db2.gz JPBNYRCUVPMDOV-NEPJUHHUSA-N 0 3 366.422 -0.528 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000420143368 484847560 /nfs/dbraw/zinc/84/75/60/484847560.db2.gz JPBNYRCUVPMDOV-NWDGAFQWSA-N 0 3 366.422 -0.528 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000420143371 484847846 /nfs/dbraw/zinc/84/78/46/484847846.db2.gz JPBNYRCUVPMDOV-RYUDHWBXSA-N 0 3 366.422 -0.528 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000420143375 484847882 /nfs/dbraw/zinc/84/78/82/484847882.db2.gz JPBNYRCUVPMDOV-VXGBXAGGSA-N 0 3 366.422 -0.528 20 0 FBADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420143856 484838926 /nfs/dbraw/zinc/83/89/26/484838926.db2.gz LYYZMNDATDIORO-BBRMVZONSA-N 0 3 374.441 -0.209 20 0 FBADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420143857 484838519 /nfs/dbraw/zinc/83/85/19/484838519.db2.gz LYYZMNDATDIORO-CJNGLKHVSA-N 0 3 374.441 -0.209 20 0 FBADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420143858 484838784 /nfs/dbraw/zinc/83/87/84/484838784.db2.gz LYYZMNDATDIORO-CZUORRHYSA-N 0 3 374.441 -0.209 20 0 FBADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420143859 484838935 /nfs/dbraw/zinc/83/89/35/484838935.db2.gz LYYZMNDATDIORO-XJKSGUPXSA-N 0 3 374.441 -0.209 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000420144978 484839266 /nfs/dbraw/zinc/83/92/66/484839266.db2.gz MSXBDUZTNOKKDR-AWEZNQCLSA-N 0 3 355.483 -0.711 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000420144979 484839136 /nfs/dbraw/zinc/83/91/36/484839136.db2.gz MSXBDUZTNOKKDR-CQSZACIVSA-N 0 3 355.483 -0.711 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000420145008 484838595 /nfs/dbraw/zinc/83/85/95/484838595.db2.gz MWOGOKHIPKPRLQ-HNNXBMFYSA-N 0 3 369.510 -0.367 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000420145009 484838236 /nfs/dbraw/zinc/83/82/36/484838236.db2.gz MWOGOKHIPKPRLQ-OAHLLOKOSA-N 0 3 369.510 -0.367 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000420145671 484839208 /nfs/dbraw/zinc/83/92/08/484839208.db2.gz OSCDUZPKGVUVDX-AWEZNQCLSA-N 0 3 353.467 -0.957 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000420145672 484838648 /nfs/dbraw/zinc/83/86/48/484838648.db2.gz OSCDUZPKGVUVDX-CQSZACIVSA-N 0 3 353.467 -0.957 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000420146004 484838761 /nfs/dbraw/zinc/83/87/61/484838761.db2.gz PPGVIZPFICTYEO-CYBMUJFWSA-N 0 3 352.414 -0.102 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000420146005 484838561 /nfs/dbraw/zinc/83/85/61/484838561.db2.gz PPGVIZPFICTYEO-ZDUSSCGKSA-N 0 3 352.414 -0.102 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000420146545 484839195 /nfs/dbraw/zinc/83/91/95/484839195.db2.gz QRDZHBCRZACWBC-CYBMUJFWSA-N 0 3 356.467 -0.284 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000420146547 484838805 /nfs/dbraw/zinc/83/88/05/484838805.db2.gz QRDZHBCRZACWBC-ZDUSSCGKSA-N 0 3 356.467 -0.284 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000420148508 484840790 /nfs/dbraw/zinc/84/07/90/484840790.db2.gz TZYKRDBXNUCVCF-CHWSQXEVSA-N 0 3 362.496 -0.451 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000420148509 484840178 /nfs/dbraw/zinc/84/01/78/484840178.db2.gz TZYKRDBXNUCVCF-OLZOCXBDSA-N 0 3 362.496 -0.451 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000420148510 484840263 /nfs/dbraw/zinc/84/02/63/484840263.db2.gz TZYKRDBXNUCVCF-QWHCGFSZSA-N 0 3 362.496 -0.451 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000420148511 484840656 /nfs/dbraw/zinc/84/06/56/484840656.db2.gz TZYKRDBXNUCVCF-STQMWFEESA-N 0 3 362.496 -0.451 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000420148512 484840495 /nfs/dbraw/zinc/84/04/95/484840495.db2.gz UAHWZYIXUPBUKG-CYBMUJFWSA-N 0 3 364.450 -0.233 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000420148513 484840801 /nfs/dbraw/zinc/84/08/01/484840801.db2.gz UAHWZYIXUPBUKG-ZDUSSCGKSA-N 0 3 364.450 -0.233 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)NCC(F)(F)CN)CC2)c1 ZINC000420150240 484840123 /nfs/dbraw/zinc/84/01/23/484840123.db2.gz KBQQDNUELSAYIT-UHFFFAOYSA-N 0 3 357.361 -0.551 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCC(F)(F)CN)CC1 ZINC000420154252 484840061 /nfs/dbraw/zinc/84/00/61/484840061.db2.gz RMSNPCCHVGAOCA-UHFFFAOYSA-N 0 3 357.361 -0.551 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000420154312 484839793 /nfs/dbraw/zinc/83/97/93/484839793.db2.gz DHUBLPQGBVFSHT-UHFFFAOYSA-N 0 3 362.474 -0.275 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000420154755 484841638 /nfs/dbraw/zinc/84/16/38/484841638.db2.gz DQRMEEPABMMYMD-UHFFFAOYSA-N 0 3 368.459 -0.615 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000420156314 484841879 /nfs/dbraw/zinc/84/18/79/484841879.db2.gz GDEHOIMEGCZGSV-HNNXBMFYSA-N 0 3 351.403 -0.356 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000420156315 484841241 /nfs/dbraw/zinc/84/12/41/484841241.db2.gz GDEHOIMEGCZGSV-OAHLLOKOSA-N 0 3 351.403 -0.356 20 0 FBADHN CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420157986 484842099 /nfs/dbraw/zinc/84/20/99/484842099.db2.gz 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/nfs/dbraw/zinc/86/03/98/484860398.db2.gz TYKJTQCSMNQUOB-UHFFFAOYSA-N 0 3 351.403 -0.232 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000420172719 484859748 /nfs/dbraw/zinc/85/97/48/484859748.db2.gz UMCWHKDBCUFMEC-IBGZPJMESA-N 0 3 363.458 -0.065 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000420172720 484859845 /nfs/dbraw/zinc/85/98/45/484859845.db2.gz UMCWHKDBCUFMEC-LJQANCHMSA-N 0 3 363.458 -0.065 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000420173766 484860494 /nfs/dbraw/zinc/86/04/94/484860494.db2.gz VXLKLSFFYJSXFP-UHFFFAOYSA-N 0 3 362.430 -0.677 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000420176528 484841891 /nfs/dbraw/zinc/84/18/91/484841891.db2.gz ACKUMFOHZFDWRN-UHFFFAOYSA-N 0 3 364.450 -0.712 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420177296 484849284 /nfs/dbraw/zinc/84/92/84/484849284.db2.gz BRUPCWAGEYULKX-UHFFFAOYSA-N 0 3 366.393 -0.647 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000420177820 484848840 /nfs/dbraw/zinc/84/88/40/484848840.db2.gz CYUHXHHBVCJHQX-UHFFFAOYSA-N 0 3 365.434 -0.909 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000420178457 484849230 /nfs/dbraw/zinc/84/92/30/484849230.db2.gz DLWGOALTOFNSLU-UHFFFAOYSA-N 0 3 362.474 -0.009 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000420178529 484848882 /nfs/dbraw/zinc/84/88/82/484848882.db2.gz DUNPPSVWBGLOMA-UHFFFAOYSA-N 0 3 368.478 -0.268 20 0 FBADHN COCCNCCNC(=O)C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000420178589 484848861 /nfs/dbraw/zinc/84/88/61/484848861.db2.gz FBDUTAUHGNFHFA-DOMZBBRYSA-N 0 3 371.384 -0.049 20 0 FBADHN COCCNCCNC(=O)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000420178591 484849542 /nfs/dbraw/zinc/84/95/42/484849542.db2.gz FBDUTAUHGNFHFA-IUODEOHRSA-N 0 3 371.384 -0.049 20 0 FBADHN COCCNCCNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000420178593 484849525 /nfs/dbraw/zinc/84/95/25/484849525.db2.gz FBDUTAUHGNFHFA-SWLSCSKDSA-N 0 3 371.384 -0.049 20 0 FBADHN COCCNCCNC(=O)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000420178595 484848997 /nfs/dbraw/zinc/84/89/97/484848997.db2.gz FBDUTAUHGNFHFA-WFASDCNBSA-N 0 3 371.384 -0.049 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000420179054 484849266 /nfs/dbraw/zinc/84/92/66/484849266.db2.gz FJCVNUFBQIAEPF-IBGZPJMESA-N 0 3 363.458 -0.109 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000420179057 484849513 /nfs/dbraw/zinc/84/95/13/484849513.db2.gz FJCVNUFBQIAEPF-LJQANCHMSA-N 0 3 363.458 -0.109 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000420179116 484850484 /nfs/dbraw/zinc/85/04/84/484850484.db2.gz FNQQBEVPIONIRB-UHFFFAOYSA-N 0 3 368.459 -0.615 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCc2ccc(C(=O)OC)cc2C1 ZINC000420179148 484850729 /nfs/dbraw/zinc/85/07/29/484850729.db2.gz FSUOIBDOFXENAL-UHFFFAOYSA-N 0 3 363.414 -0.290 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCCNCCOC)[C@@H](CC)CN1C(C)=O ZINC000420179174 484850354 /nfs/dbraw/zinc/85/03/54/484850354.db2.gz 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484852894 /nfs/dbraw/zinc/85/28/94/484852894.db2.gz VZRXMHIBHVIHJV-UHFFFAOYSA-N 0 3 363.414 -0.290 20 0 FBADHN COc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420190893 484854052 /nfs/dbraw/zinc/85/40/52/484854052.db2.gz GHGZANRPJQDBRW-INIZCTEOSA-N 0 3 362.430 -0.552 20 0 FBADHN COc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420190894 484853383 /nfs/dbraw/zinc/85/33/83/484853383.db2.gz GHGZANRPJQDBRW-MRXNPFEDSA-N 0 3 362.430 -0.552 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000420190912 484853428 /nfs/dbraw/zinc/85/34/28/484853428.db2.gz GIYBPHKIKGREJI-INIZCTEOSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000420190913 484854075 /nfs/dbraw/zinc/85/40/75/484854075.db2.gz GIYBPHKIKGREJI-MRXNPFEDSA-N 0 3 361.442 -0.049 20 0 FBADHN COc1ccc(OCCN(C)C(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000420190967 484853685 /nfs/dbraw/zinc/85/36/85/484853685.db2.gz GPOXJGRSWANHOG-HNNXBMFYSA-N 0 3 351.403 -0.363 20 0 FBADHN COc1ccc(OCCN(C)C(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000420190968 484853519 /nfs/dbraw/zinc/85/35/19/484853519.db2.gz GPOXJGRSWANHOG-OAHLLOKOSA-N 0 3 351.403 -0.363 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000420190971 484853862 /nfs/dbraw/zinc/85/38/62/484853862.db2.gz WBKJUHUHDCTERW-UHFFFAOYSA-N 0 3 372.363 -0.617 20 0 FBADHN CCc1cnc(N2CCN(C(=O)C(=O)NCCNCCOC)CC2)s1 ZINC000420191102 484854251 /nfs/dbraw/zinc/85/42/51/484854251.db2.gz WSRQEBBVZMBSSH-UHFFFAOYSA-N 0 3 369.491 -0.294 20 0 FBADHN Cc1cccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420191388 484853476 /nfs/dbraw/zinc/85/34/76/484853476.db2.gz GUJQSGKYYCQNTP-KRWDZBQOSA-N 0 3 360.458 -0.256 20 0 FBADHN Cc1cccc(CN2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420191389 484853762 /nfs/dbraw/zinc/85/37/62/484853762.db2.gz GUJQSGKYYCQNTP-QGZVFWFLSA-N 0 3 360.458 -0.256 20 0 FBADHN CN(C(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1)c1ccccc1 ZINC000420191465 484853806 /nfs/dbraw/zinc/85/38/06/484853806.db2.gz 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ZINC000420191694 484853549 /nfs/dbraw/zinc/85/35/49/484853549.db2.gz XXEQDESNQYNSKO-UHFFFAOYSA-N 0 3 350.419 -0.607 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000420192188 484854106 /nfs/dbraw/zinc/85/41/06/484854106.db2.gz HRTOOZPLYDTPPT-HUBLWGQQSA-N 0 3 369.368 -0.296 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000420192189 484853792 /nfs/dbraw/zinc/85/37/92/484853792.db2.gz HRTOOZPLYDTPPT-SLEUVZQESA-N 0 3 369.368 -0.296 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000420192190 484854062 /nfs/dbraw/zinc/85/40/62/484854062.db2.gz HRTOOZPLYDTPPT-TYNCELHUSA-N 0 3 369.368 -0.296 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000420192191 484854214 /nfs/dbraw/zinc/85/42/14/484854214.db2.gz HRTOOZPLYDTPPT-XUJVJEKNSA-N 0 3 369.368 -0.296 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000420192384 484853817 /nfs/dbraw/zinc/85/38/17/484853817.db2.gz 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ZINC000420193102 484854354 /nfs/dbraw/zinc/85/43/54/484854354.db2.gz YVOFFFQJRFRMEY-HOCLYGCPSA-N 0 3 365.430 -0.318 20 0 FBADHN COCCNCCNC(=O)C(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1 ZINC000420193103 484853540 /nfs/dbraw/zinc/85/35/40/484853540.db2.gz YVOFFFQJRFRMEY-ZBFHGGJFSA-N 0 3 365.430 -0.318 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420193227 484853403 /nfs/dbraw/zinc/85/34/03/484853403.db2.gz ZOEJQJZCYUAQFZ-UHFFFAOYSA-N 0 3 352.410 -0.174 20 0 FBADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420193799 484853833 /nfs/dbraw/zinc/85/38/33/484853833.db2.gz JILGSQXSSFOGNJ-KFWWJZLASA-N 0 3 368.478 -0.366 20 0 FBADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420193801 484853533 /nfs/dbraw/zinc/85/35/33/484853533.db2.gz JILGSQXSSFOGNJ-RBSFLKMASA-N 0 3 368.478 -0.366 20 0 FBADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420193802 484853920 /nfs/dbraw/zinc/85/39/20/484853920.db2.gz JILGSQXSSFOGNJ-RRFJBIMHSA-N 0 3 368.478 -0.366 20 0 FBADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420193804 484854233 /nfs/dbraw/zinc/85/42/33/484854233.db2.gz JILGSQXSSFOGNJ-ZNMIVQPWSA-N 0 3 368.478 -0.366 20 0 FBADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420193806 484854091 /nfs/dbraw/zinc/85/40/91/484854091.db2.gz JINHHXVUAOSLSG-AWEZNQCLSA-N 0 3 354.476 -0.257 20 0 FBADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420193807 484854123 /nfs/dbraw/zinc/85/41/23/484854123.db2.gz JINHHXVUAOSLSG-CQSZACIVSA-N 0 3 354.476 -0.257 20 0 FBADHN Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)sc1C ZINC000420193813 484853461 /nfs/dbraw/zinc/85/34/61/484853461.db2.gz JJPYLUGVPMEFGH-CYBMUJFWSA-N 0 3 367.475 -0.487 20 0 FBADHN Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)sc1C ZINC000420193815 484853368 /nfs/dbraw/zinc/85/33/68/484853368.db2.gz JJPYLUGVPMEFGH-ZDUSSCGKSA-N 0 3 367.475 -0.487 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000420194066 484853677 /nfs/dbraw/zinc/85/36/77/484853677.db2.gz ZOWCDGFYLNMZGQ-UHFFFAOYSA-N 0 3 370.400 -0.034 20 0 FBADHN CC1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)CC1 ZINC000420194686 484853973 /nfs/dbraw/zinc/85/39/73/484853973.db2.gz FTVCMPLQYUQIJY-GPANFISMSA-N 0 3 352.479 -0.186 20 0 FBADHN CC1CCC(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)CC1 ZINC000420194688 484853898 /nfs/dbraw/zinc/85/38/98/484853898.db2.gz FTVCMPLQYUQIJY-UYSNPLJNSA-N 0 3 352.479 -0.186 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000420194767 484853566 /nfs/dbraw/zinc/85/35/66/484853566.db2.gz KAXYDPGPFHZUKC-ILXRZTDVSA-N 0 3 351.378 -0.435 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000420194768 484854362 /nfs/dbraw/zinc/85/43/62/484854362.db2.gz KAXYDPGPFHZUKC-KKUMJFAQSA-N 0 3 351.378 -0.435 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000420194769 484853557 /nfs/dbraw/zinc/85/35/57/484853557.db2.gz KAXYDPGPFHZUKC-QLFBSQMISA-N 0 3 351.378 -0.435 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000420194770 484853649 /nfs/dbraw/zinc/85/36/49/484853649.db2.gz KAXYDPGPFHZUKC-SOUVJXGZSA-N 0 3 351.378 -0.435 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000420195240 484853780 /nfs/dbraw/zinc/85/37/80/484853780.db2.gz KHLZNBMOXGXEGG-CYBMUJFWSA-N 0 3 350.394 -0.421 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000420195242 484854113 /nfs/dbraw/zinc/85/41/13/484854113.db2.gz KHLZNBMOXGXEGG-ZDUSSCGKSA-N 0 3 350.394 -0.421 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000420195267 484853945 /nfs/dbraw/zinc/85/39/45/484853945.db2.gz KJJDKGGMDKGVMF-CYBMUJFWSA-N 0 3 362.434 -0.960 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000420195268 484854153 /nfs/dbraw/zinc/85/41/53/484854153.db2.gz KJJDKGGMDKGVMF-ZDUSSCGKSA-N 0 3 362.434 -0.960 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000420195329 484853881 /nfs/dbraw/zinc/85/38/81/484853881.db2.gz KOFGEZKVWCSCCO-APWZRJJASA-N 0 3 361.442 -0.313 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000420195331 484853955 /nfs/dbraw/zinc/85/39/55/484853955.db2.gz KOFGEZKVWCSCCO-LPHOPBHVSA-N 0 3 361.442 -0.313 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000420195333 484855105 /nfs/dbraw/zinc/85/51/05/484855105.db2.gz KOFGEZKVWCSCCO-QFBILLFUSA-N 0 3 361.442 -0.313 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000420195335 484856022 /nfs/dbraw/zinc/85/60/22/484856022.db2.gz KOFGEZKVWCSCCO-VQIMIIECSA-N 0 3 361.442 -0.313 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000420195752 484855466 /nfs/dbraw/zinc/85/54/66/484855466.db2.gz KWKUPJRUWKWFLF-CABCVRRESA-N 0 3 360.414 -0.819 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000420195760 484856084 /nfs/dbraw/zinc/85/60/84/484856084.db2.gz KWKUPJRUWKWFLF-GJZGRUSLSA-N 0 3 360.414 -0.819 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000420195763 484855285 /nfs/dbraw/zinc/85/52/85/484855285.db2.gz KWKUPJRUWKWFLF-HUUCEWRRSA-N 0 3 360.414 -0.819 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000420195766 484855860 /nfs/dbraw/zinc/85/58/60/484855860.db2.gz KWKUPJRUWKWFLF-LSDHHAIUSA-N 0 3 360.414 -0.819 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000420195817 484855352 /nfs/dbraw/zinc/85/53/52/484855352.db2.gz KWZMEQZKQCVQPD-DLBZAZTESA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000420195820 484855180 /nfs/dbraw/zinc/85/51/80/484855180.db2.gz KWZMEQZKQCVQPD-IAGOWNOFSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000420195823 484855133 /nfs/dbraw/zinc/85/51/33/484855133.db2.gz KWZMEQZKQCVQPD-IRXDYDNUSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000420195826 484854853 /nfs/dbraw/zinc/85/48/53/484854853.db2.gz KWZMEQZKQCVQPD-SJORKVTESA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000420196143 484855410 /nfs/dbraw/zinc/85/54/10/484855410.db2.gz LAPLXAKALZIHDA-DLBZAZTESA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000420196144 484855785 /nfs/dbraw/zinc/85/57/85/484855785.db2.gz LAPLXAKALZIHDA-IAGOWNOFSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000420196145 484854979 /nfs/dbraw/zinc/85/49/79/484854979.db2.gz LAPLXAKALZIHDA-IRXDYDNUSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000420196146 484855379 /nfs/dbraw/zinc/85/53/79/484855379.db2.gz LAPLXAKALZIHDA-SJORKVTESA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000420196311 484854874 /nfs/dbraw/zinc/85/48/74/484854874.db2.gz LMFIDSXZTRYCRT-JTQLQIEISA-N 0 3 370.347 -0.864 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000420196767 484855113 /nfs/dbraw/zinc/85/51/13/484855113.db2.gz LMFIDSXZTRYCRT-SNVBAGLBSA-N 0 3 370.347 -0.864 20 0 FBADHN COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@@H]1CNCCO1)CC2 ZINC000420196969 484855824 /nfs/dbraw/zinc/85/58/24/484855824.db2.gz LYEKODPJUIBUEG-HNNXBMFYSA-N 0 3 361.398 -0.538 20 0 FBADHN COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@H]1CNCCO1)CC2 ZINC000420196970 484854815 /nfs/dbraw/zinc/85/48/15/484854815.db2.gz LYEKODPJUIBUEG-OAHLLOKOSA-N 0 3 361.398 -0.538 20 0 FBADHN CC(=O)c1ccc2c(c1)CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)CC2 ZINC000420197582 484855094 /nfs/dbraw/zinc/85/50/94/484855094.db2.gz MFNIHPHNDIZBHI-KRWDZBQOSA-N 0 3 359.426 -0.079 20 0 FBADHN CC(=O)c1ccc2c(c1)CCN(C(=O)C(=O)NC[C@H]1CNCCO1)CC2 ZINC000420197583 484854931 /nfs/dbraw/zinc/85/49/31/484854931.db2.gz MFNIHPHNDIZBHI-QGZVFWFLSA-N 0 3 359.426 -0.079 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000420198109 484855142 /nfs/dbraw/zinc/85/51/42/484855142.db2.gz KOAYWZQCAXSGJJ-CABCVRRESA-N 0 3 351.403 -0.108 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000420198111 484856181 /nfs/dbraw/zinc/85/61/81/484856181.db2.gz KOAYWZQCAXSGJJ-GJZGRUSLSA-N 0 3 351.403 -0.108 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000420198113 484855298 /nfs/dbraw/zinc/85/52/98/484855298.db2.gz KOAYWZQCAXSGJJ-HUUCEWRRSA-N 0 3 351.403 -0.108 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000420198115 484855157 /nfs/dbraw/zinc/85/51/57/484855157.db2.gz KOAYWZQCAXSGJJ-LSDHHAIUSA-N 0 3 351.403 -0.108 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000420198183 484855257 /nfs/dbraw/zinc/85/52/57/484855257.db2.gz KVIWYZRQRZUUFO-DOTOQJQBSA-N 0 3 360.458 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000420198185 484856052 /nfs/dbraw/zinc/85/60/52/484856052.db2.gz KVIWYZRQRZUUFO-NVXWUHKLSA-N 0 3 360.458 -0.176 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000420198187 484855056 /nfs/dbraw/zinc/85/50/56/484855056.db2.gz KVIWYZRQRZUUFO-RDJZCZTQSA-N 0 3 360.458 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000420198189 484855171 /nfs/dbraw/zinc/85/51/71/484855171.db2.gz KVIWYZRQRZUUFO-WBVHZDCISA-N 0 3 360.458 -0.176 20 0 FBADHN COC(=O)c1cccc2c1CCN(C(=O)C(=O)NC[C@H]1CNCCO1)C2 ZINC000420198414 484855272 /nfs/dbraw/zinc/85/52/72/484855272.db2.gz MRELTWWRVJPBHG-CYBMUJFWSA-N 0 3 361.398 -0.538 20 0 FBADHN COC(=O)c1cccc2c1CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)C2 ZINC000420198418 484855767 /nfs/dbraw/zinc/85/57/67/484855767.db2.gz MRELTWWRVJPBHG-ZDUSSCGKSA-N 0 3 361.398 -0.538 20 0 FBADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198837 484854997 /nfs/dbraw/zinc/85/49/97/484854997.db2.gz LQWDUMJBTTXCHK-INIZCTEOSA-N 0 3 366.437 -0.180 20 0 FBADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198843 484855121 /nfs/dbraw/zinc/85/51/21/484855121.db2.gz LQWDUMJBTTXCHK-MRXNPFEDSA-N 0 3 366.437 -0.180 20 0 FBADHN O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420198853 484855549 /nfs/dbraw/zinc/85/55/49/484855549.db2.gz MTVVFUWSYBHLCL-INIZCTEOSA-N 0 3 374.441 -0.996 20 0 FBADHN O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420198860 484854835 /nfs/dbraw/zinc/85/48/35/484854835.db2.gz MTVVFUWSYBHLCL-MRXNPFEDSA-N 0 3 374.441 -0.996 20 0 FBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CNCCO2)o1 ZINC000420199775 484855207 /nfs/dbraw/zinc/85/52/07/484855207.db2.gz MFEGLYPSTQFRTH-HNNXBMFYSA-N 0 3 352.435 -0.417 20 0 FBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CNCCO2)o1 ZINC000420199780 484855485 /nfs/dbraw/zinc/85/54/85/484855485.db2.gz MFEGLYPSTQFRTH-OAHLLOKOSA-N 0 3 352.435 -0.417 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000420200374 484855710 /nfs/dbraw/zinc/85/57/10/484855710.db2.gz MSOSRTOVCGCWMS-DOMZBBRYSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000420200379 484855608 /nfs/dbraw/zinc/85/56/08/484855608.db2.gz MSOSRTOVCGCWMS-IUODEOHRSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000420200383 484855520 /nfs/dbraw/zinc/85/55/20/484855520.db2.gz MSOSRTOVCGCWMS-SWLSCSKDSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000420200389 484855398 /nfs/dbraw/zinc/85/53/98/484855398.db2.gz MSOSRTOVCGCWMS-WFASDCNBSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000420200664 484855240 /nfs/dbraw/zinc/85/52/40/484855240.db2.gz OBNOSHCYBKQFGX-KRWDZBQOSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000420200665 484855023 /nfs/dbraw/zinc/85/50/23/484855023.db2.gz OBNOSHCYBKQFGX-QGZVFWFLSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000420200676 484855879 /nfs/dbraw/zinc/85/58/79/484855879.db2.gz OCIPNPGNEDPTCA-HNNXBMFYSA-N 0 3 369.425 -0.138 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000420200677 484856100 /nfs/dbraw/zinc/85/61/00/484856100.db2.gz OCIPNPGNEDPTCA-OAHLLOKOSA-N 0 3 369.425 -0.138 20 0 FBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420200714 484855312 /nfs/dbraw/zinc/85/53/12/484855312.db2.gz OGDFGVCXAQOIQV-CABCVRRESA-N 0 3 360.414 -0.645 20 0 FBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420200717 484855503 /nfs/dbraw/zinc/85/55/03/484855503.db2.gz OGDFGVCXAQOIQV-GJZGRUSLSA-N 0 3 360.414 -0.645 20 0 FBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420200719 484855687 /nfs/dbraw/zinc/85/56/87/484855687.db2.gz OGDFGVCXAQOIQV-HUUCEWRRSA-N 0 3 360.414 -0.645 20 0 FBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420200722 484855342 /nfs/dbraw/zinc/85/53/42/484855342.db2.gz OGDFGVCXAQOIQV-LSDHHAIUSA-N 0 3 360.414 -0.645 20 0 FBADHN Cc1ccccc1CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420202364 484855367 /nfs/dbraw/zinc/85/53/67/484855367.db2.gz PFKJONRCDMWCBI-KRWDZBQOSA-N 0 3 360.458 -0.256 20 0 FBADHN Cc1ccccc1CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420202365 484855151 /nfs/dbraw/zinc/85/51/51/484855151.db2.gz PFKJONRCDMWCBI-QGZVFWFLSA-N 0 3 360.458 -0.256 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420202423 484855904 /nfs/dbraw/zinc/85/59/04/484855904.db2.gz POXZARLQALLIHP-CABCVRRESA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420202424 484855625 /nfs/dbraw/zinc/85/56/25/484855625.db2.gz POXZARLQALLIHP-GJZGRUSLSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420202425 484855842 /nfs/dbraw/zinc/85/58/42/484855842.db2.gz POXZARLQALLIHP-HUUCEWRRSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420202426 484855137 /nfs/dbraw/zinc/85/51/37/484855137.db2.gz POXZARLQALLIHP-LSDHHAIUSA-N 0 3 351.378 -0.170 20 0 FBADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420203570 484855964 /nfs/dbraw/zinc/85/59/64/484855964.db2.gz QFRBFSGVVSQDIM-HNNXBMFYSA-N 0 3 362.430 -0.136 20 0 FBADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420203573 484855806 /nfs/dbraw/zinc/85/58/06/484855806.db2.gz QFRBFSGVVSQDIM-OAHLLOKOSA-N 0 3 362.430 -0.136 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000420203621 484855574 /nfs/dbraw/zinc/85/55/74/484855574.db2.gz QLJACIHTFBTAJV-CYBMUJFWSA-N 0 3 368.384 -0.282 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000420203622 484856166 /nfs/dbraw/zinc/85/61/66/484856166.db2.gz QLJACIHTFBTAJV-ZDUSSCGKSA-N 0 3 368.384 -0.282 20 0 FBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000420204039 484855998 /nfs/dbraw/zinc/85/59/98/484855998.db2.gz QQWOBHBCIJNMPC-DLBZAZTESA-N 0 3 360.458 -0.176 20 0 FBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000420204042 484855657 /nfs/dbraw/zinc/85/56/57/484855657.db2.gz QQWOBHBCIJNMPC-IAGOWNOFSA-N 0 3 360.458 -0.176 20 0 FBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000420204043 484855748 /nfs/dbraw/zinc/85/57/48/484855748.db2.gz QQWOBHBCIJNMPC-IRXDYDNUSA-N 0 3 360.458 -0.176 20 0 FBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000420204046 484854969 /nfs/dbraw/zinc/85/49/69/484854969.db2.gz QQWOBHBCIJNMPC-SJORKVTESA-N 0 3 360.458 -0.176 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000420204080 484856116 /nfs/dbraw/zinc/85/61/16/484856116.db2.gz QRQJVGPOAQOXJZ-HNNXBMFYSA-N 0 3 370.413 -0.567 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000420204084 484855426 /nfs/dbraw/zinc/85/54/26/484855426.db2.gz QRQJVGPOAQOXJZ-OAHLLOKOSA-N 0 3 370.413 -0.567 20 0 FBADHN Cc1csc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)n1 ZINC000420204596 484856868 /nfs/dbraw/zinc/85/68/68/484856868.db2.gz RIDQFTBYWRGBCO-GFCCVEGCSA-N 0 3 353.448 -0.795 20 0 FBADHN Cc1csc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)n1 ZINC000420204598 484857246 /nfs/dbraw/zinc/85/72/46/484857246.db2.gz RIDQFTBYWRGBCO-LBPRGKRZSA-N 0 3 353.448 -0.795 20 0 FBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420204628 484857740 /nfs/dbraw/zinc/85/77/40/484857740.db2.gz SINCXHLIVUKFDW-CVEARBPZSA-N 0 3 374.441 -0.255 20 0 FBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420204629 484857805 /nfs/dbraw/zinc/85/78/05/484857805.db2.gz SINCXHLIVUKFDW-HOTGVXAUSA-N 0 3 374.441 -0.255 20 0 FBADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420204630 484857773 /nfs/dbraw/zinc/85/77/73/484857773.db2.gz SINCXHLIVUKFDW-HZPDHXFCSA-N 0 3 374.441 -0.255 20 0 FBADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420204631 484856926 /nfs/dbraw/zinc/85/69/26/484856926.db2.gz SINCXHLIVUKFDW-JKSUJKDBSA-N 0 3 374.441 -0.255 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CNCCO2)C[C@H](C)O1 ZINC000420205116 484857464 /nfs/dbraw/zinc/85/74/64/484857464.db2.gz RMASEFOFAZWJNB-FZKCQIBNSA-N 0 3 368.478 -0.809 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CNCCO2)C[C@@H](C)O1 ZINC000420205117 484857701 /nfs/dbraw/zinc/85/77/01/484857701.db2.gz RMASEFOFAZWJNB-LVQVYYBASA-N 0 3 368.478 -0.809 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)O1 ZINC000420205118 484857635 /nfs/dbraw/zinc/85/76/35/484857635.db2.gz RMASEFOFAZWJNB-WCVJEAGWSA-N 0 3 368.478 -0.809 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CNCCO2)C[C@H](C)O1 ZINC000420205119 484857949 /nfs/dbraw/zinc/85/79/49/484857949.db2.gz RMASEFOFAZWJNB-XUWVNRHRSA-N 0 3 368.478 -0.809 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1CC(F)(F)F ZINC000420205128 484857020 /nfs/dbraw/zinc/85/70/20/484857020.db2.gz RMZDUVGNFRDHIN-GHMZBOCLSA-N 0 3 352.357 -0.814 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1CC(F)(F)F ZINC000420205129 484857064 /nfs/dbraw/zinc/85/70/64/484857064.db2.gz RMZDUVGNFRDHIN-MNOVXSKESA-N 0 3 352.357 -0.814 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1CC(F)(F)F ZINC000420205130 484856815 /nfs/dbraw/zinc/85/68/15/484856815.db2.gz RMZDUVGNFRDHIN-QWRGUYRKSA-N 0 3 352.357 -0.814 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1CC(F)(F)F ZINC000420205131 484857319 /nfs/dbraw/zinc/85/73/19/484857319.db2.gz RMZDUVGNFRDHIN-WDEREUQCSA-N 0 3 352.357 -0.814 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(F)c1 ZINC000420205177 484857935 /nfs/dbraw/zinc/85/79/35/484857935.db2.gz RROSVMUDHSFYSR-CABCVRRESA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(F)c1 ZINC000420205178 484856989 /nfs/dbraw/zinc/85/69/89/484856989.db2.gz RROSVMUDHSFYSR-GJZGRUSLSA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(F)c1 ZINC000420205179 484857382 /nfs/dbraw/zinc/85/73/82/484857382.db2.gz RROSVMUDHSFYSR-HUUCEWRRSA-N 0 3 352.410 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/nfs/dbraw/zinc/85/68/96/484856896.db2.gz SIDLJYSYSNXLOX-KBPBESRZSA-N 0 3 351.403 -0.154 20 0 FBADHN CCc1ccc([C@@H]2COCCN2C(=O)C(=O)NC[C@H]2CNCCO2)o1 ZINC000420206097 484856882 /nfs/dbraw/zinc/85/68/82/484856882.db2.gz SIDLJYSYSNXLOX-KGLIPLIRSA-N 0 3 351.403 -0.154 20 0 FBADHN CCc1ccc([C@H]2COCCN2C(=O)C(=O)NC[C@@H]2CNCCO2)o1 ZINC000420206100 484856509 /nfs/dbraw/zinc/85/65/09/484856509.db2.gz SIDLJYSYSNXLOX-UONOGXRCSA-N 0 3 351.403 -0.154 20 0 FBADHN CCc1ccc([C@H]2COCCN2C(=O)C(=O)NC[C@H]2CNCCO2)o1 ZINC000420206103 484857518 /nfs/dbraw/zinc/85/75/18/484857518.db2.gz SIDLJYSYSNXLOX-ZIAGYGMSSA-N 0 3 351.403 -0.154 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000420206519 484857845 /nfs/dbraw/zinc/85/78/45/484857845.db2.gz VQACVTVBBVAZFH-CABCVRRESA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000420206520 484857336 /nfs/dbraw/zinc/85/73/36/484857336.db2.gz VQACVTVBBVAZFH-GJZGRUSLSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000420206521 484857679 /nfs/dbraw/zinc/85/76/79/484857679.db2.gz VQACVTVBBVAZFH-HUUCEWRRSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000420206522 484857080 /nfs/dbraw/zinc/85/70/80/484857080.db2.gz VQACVTVBBVAZFH-LSDHHAIUSA-N 0 3 351.378 -0.170 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000420206611 484857498 /nfs/dbraw/zinc/85/74/98/484857498.db2.gz SQWAXOYIZNJQQC-INIZCTEOSA-N 0 3 352.479 -0.185 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000420206612 484856729 /nfs/dbraw/zinc/85/67/29/484856729.db2.gz SQWAXOYIZNJQQC-MRXNPFEDSA-N 0 3 352.479 -0.185 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000420206657 484856588 /nfs/dbraw/zinc/85/65/88/484856588.db2.gz SVDNAQIGBVHWJM-KRWDZBQOSA-N 0 3 360.458 -0.522 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000420206658 484856570 /nfs/dbraw/zinc/85/65/70/484856570.db2.gz SVDNAQIGBVHWJM-QGZVFWFLSA-N 0 3 360.458 -0.522 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000420207250 484857136 /nfs/dbraw/zinc/85/71/36/484857136.db2.gz TYWYYYSYHYZFAO-CYBMUJFWSA-N 0 3 352.460 -0.503 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000420207251 484856791 /nfs/dbraw/zinc/85/67/91/484856791.db2.gz TYWYYYSYHYZFAO-ZDUSSCGKSA-N 0 3 352.460 -0.503 20 0 FBADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1CCOC ZINC000420207284 484857830 /nfs/dbraw/zinc/85/78/30/484857830.db2.gz UDTOFLDQYNOYDL-CABCVRRESA-N 0 3 356.467 -0.950 20 0 FBADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1CCOC ZINC000420207285 484857726 /nfs/dbraw/zinc/85/77/26/484857726.db2.gz UDTOFLDQYNOYDL-GJZGRUSLSA-N 0 3 356.467 -0.950 20 0 FBADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1CCOC ZINC000420207286 484856538 /nfs/dbraw/zinc/85/65/38/484856538.db2.gz UDTOFLDQYNOYDL-HUUCEWRRSA-N 0 3 356.467 -0.950 20 0 FBADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1CCOC ZINC000420207287 484856708 /nfs/dbraw/zinc/85/67/08/484856708.db2.gz UDTOFLDQYNOYDL-LSDHHAIUSA-N 0 3 356.467 -0.950 20 0 FBADHN COc1ccccc1OCCN(C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420207759 661937467 /nfs/dbraw/zinc/93/74/67/661937467.db2.gz XNVCCMOCJSGREC-CYBMUJFWSA-N 0 3 351.403 -0.363 20 0 FBADHN COc1ccccc1OCCN(C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420207760 661937495 /nfs/dbraw/zinc/93/74/95/661937495.db2.gz XNVCCMOCJSGREC-ZDUSSCGKSA-N 0 3 351.403 -0.363 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000420207927 484856844 /nfs/dbraw/zinc/85/68/44/484856844.db2.gz UJPHDKFCNCMKJH-CABCVRRESA-N 0 3 357.414 -0.086 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000420207928 484856666 /nfs/dbraw/zinc/85/66/66/484856666.db2.gz UJPHDKFCNCMKJH-GJZGRUSLSA-N 0 3 357.414 -0.086 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000420207929 484856479 /nfs/dbraw/zinc/85/64/79/484856479.db2.gz UJPHDKFCNCMKJH-HUUCEWRRSA-N 0 3 357.414 -0.086 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000420207930 484857860 /nfs/dbraw/zinc/85/78/60/484857860.db2.gz UJPHDKFCNCMKJH-LSDHHAIUSA-N 0 3 357.414 -0.086 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)[C@@H](CC)CN1C(C)=O ZINC000420208400 484857534 /nfs/dbraw/zinc/85/75/34/484857534.db2.gz UTPXHLPDBAWDFY-ILXRZTDVSA-N 0 3 354.451 -0.661 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)[C@H](CC)CN1C(C)=O ZINC000420208403 484856941 /nfs/dbraw/zinc/85/69/41/484856941.db2.gz UTPXHLPDBAWDFY-KFWWJZLASA-N 0 3 354.451 -0.661 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)[C@@H](CC)CN1C(C)=O ZINC000420208406 484856829 /nfs/dbraw/zinc/85/68/29/484856829.db2.gz UTPXHLPDBAWDFY-QLFBSQMISA-N 0 3 354.451 -0.661 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)[C@H](CC)CN1C(C)=O ZINC000420208409 484856631 /nfs/dbraw/zinc/85/66/31/484856631.db2.gz UTPXHLPDBAWDFY-RBSFLKMASA-N 0 3 354.451 -0.661 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000420208526 484857758 /nfs/dbraw/zinc/85/77/58/484857758.db2.gz UZCFAHBLEDERDV-INIZCTEOSA-N 0 3 369.425 -0.138 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000420208529 484857597 /nfs/dbraw/zinc/85/75/97/484857597.db2.gz UZCFAHBLEDERDV-MRXNPFEDSA-N 0 3 369.425 -0.138 20 0 FBADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420208537 484856520 /nfs/dbraw/zinc/85/65/20/484856520.db2.gz UZIIVAPKJTXLGR-CXAGYDPISA-N 0 3 355.435 -0.471 20 0 FBADHN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420208539 484857294 /nfs/dbraw/zinc/85/72/94/484857294.db2.gz UZIIVAPKJTXLGR-DYVFJYSZSA-N 0 3 355.435 -0.471 20 0 FBADHN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420208542 484857165 /nfs/dbraw/zinc/85/71/65/484857165.db2.gz UZIIVAPKJTXLGR-GUYCJALGSA-N 0 3 355.435 -0.471 20 0 FBADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420208545 484856756 /nfs/dbraw/zinc/85/67/56/484856756.db2.gz UZIIVAPKJTXLGR-SUMWQHHRSA-N 0 3 355.435 -0.471 20 0 FBADHN CCN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420208549 484856676 /nfs/dbraw/zinc/85/66/76/484856676.db2.gz UZJITOOBTSBRQU-KBPBESRZSA-N 0 3 363.414 -0.221 20 0 FBADHN CCN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420208553 484857039 /nfs/dbraw/zinc/85/70/39/484857039.db2.gz UZJITOOBTSBRQU-KGLIPLIRSA-N 0 3 363.414 -0.221 20 0 FBADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420208557 484857957 /nfs/dbraw/zinc/85/79/57/484857957.db2.gz UZJITOOBTSBRQU-UONOGXRCSA-N 0 3 363.414 -0.221 20 0 FBADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420208560 484857112 /nfs/dbraw/zinc/85/71/12/484857112.db2.gz UZJITOOBTSBRQU-ZIAGYGMSSA-N 0 3 363.414 -0.221 20 0 FBADHN CCN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420208673 484857096 /nfs/dbraw/zinc/85/70/96/484857096.db2.gz VCAWMEZICAALNE-CVEARBPZSA-N 0 3 374.441 -0.255 20 0 FBADHN CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420208675 484857562 /nfs/dbraw/zinc/85/75/62/484857562.db2.gz VCAWMEZICAALNE-HOTGVXAUSA-N 0 3 374.441 -0.255 20 0 FBADHN CCN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420208677 484856494 /nfs/dbraw/zinc/85/64/94/484856494.db2.gz VCAWMEZICAALNE-HZPDHXFCSA-N 0 3 374.441 -0.255 20 0 FBADHN CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420208679 484857794 /nfs/dbraw/zinc/85/77/94/484857794.db2.gz VCAWMEZICAALNE-JKSUJKDBSA-N 0 3 374.441 -0.255 20 0 FBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420209024 484857425 /nfs/dbraw/zinc/85/74/25/484857425.db2.gz YWBAIOLIIVRJBI-INIZCTEOSA-N 0 3 374.441 -0.616 20 0 FBADHN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000420209025 484857405 /nfs/dbraw/zinc/85/74/05/484857405.db2.gz YWBAIOLIIVRJBI-MRXNPFEDSA-N 0 3 374.441 -0.616 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000420209720 484857582 /nfs/dbraw/zinc/85/75/82/484857582.db2.gz ZRHIMJBSKNZWGY-DOMZBBRYSA-N 0 3 369.368 -0.031 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000420209725 484858345 /nfs/dbraw/zinc/85/83/45/484858345.db2.gz ZRHIMJBSKNZWGY-IUODEOHRSA-N 0 3 369.368 -0.031 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000420209730 484859339 /nfs/dbraw/zinc/85/93/39/484859339.db2.gz ZRHIMJBSKNZWGY-SWLSCSKDSA-N 0 3 369.368 -0.031 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000420209734 484859213 /nfs/dbraw/zinc/85/92/13/484859213.db2.gz ZRHIMJBSKNZWGY-WFASDCNBSA-N 0 3 369.368 -0.031 20 0 FBADHN COc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420209801 484858412 /nfs/dbraw/zinc/85/84/12/484858412.db2.gz VRWSGPWYCDCJPX-AWEZNQCLSA-N 0 3 362.430 -0.552 20 0 FBADHN COc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420209803 484859099 /nfs/dbraw/zinc/85/90/99/484859099.db2.gz VRWSGPWYCDCJPX-CQSZACIVSA-N 0 3 362.430 -0.552 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000420209817 484859184 /nfs/dbraw/zinc/85/91/84/484859184.db2.gz VSJHMGPLTLLLGH-ILXRZTDVSA-N 0 3 351.378 -0.435 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000420209819 484859178 /nfs/dbraw/zinc/85/91/78/484859178.db2.gz VSJHMGPLTLLLGH-KKUMJFAQSA-N 0 3 351.378 -0.435 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000420209820 484858766 /nfs/dbraw/zinc/85/87/66/484858766.db2.gz VSJHMGPLTLLLGH-QLFBSQMISA-N 0 3 351.378 -0.435 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000420209823 484858999 /nfs/dbraw/zinc/85/89/99/484858999.db2.gz VSJHMGPLTLLLGH-SOUVJXGZSA-N 0 3 351.378 -0.435 20 0 FBADHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420210210 484859243 /nfs/dbraw/zinc/85/92/43/484859243.db2.gz VYSJQMAJEXMGFG-KKUMJFAQSA-N 0 3 368.478 -0.366 20 0 FBADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420210211 484858871 /nfs/dbraw/zinc/85/88/71/484858871.db2.gz VYSJQMAJEXMGFG-RRFJBIMHSA-N 0 3 368.478 -0.366 20 0 FBADHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420210214 484858318 /nfs/dbraw/zinc/85/83/18/484858318.db2.gz VYSJQMAJEXMGFG-SOUVJXGZSA-N 0 3 368.478 -0.366 20 0 FBADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420210217 484859152 /nfs/dbraw/zinc/85/91/52/484859152.db2.gz VYSJQMAJEXMGFG-ZNMIVQPWSA-N 0 3 368.478 -0.366 20 0 FBADHN CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420210302 484859315 /nfs/dbraw/zinc/85/93/15/484859315.db2.gz WDNCLMQVJIZTCO-KBPBESRZSA-N 0 3 354.451 -0.754 20 0 FBADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420210303 484858888 /nfs/dbraw/zinc/85/88/88/484858888.db2.gz WDNCLMQVJIZTCO-KGLIPLIRSA-N 0 3 354.451 -0.754 20 0 FBADHN CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420210306 484858570 /nfs/dbraw/zinc/85/85/70/484858570.db2.gz WDNCLMQVJIZTCO-UONOGXRCSA-N 0 3 354.451 -0.754 20 0 FBADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420210307 484858253 /nfs/dbraw/zinc/85/82/53/484858253.db2.gz WDNCLMQVJIZTCO-ZIAGYGMSSA-N 0 3 354.451 -0.754 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420210947 484859191 /nfs/dbraw/zinc/85/91/91/484859191.db2.gz WPANKSZZPGYFFU-HNNXBMFYSA-N 0 3 350.394 -0.421 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420210949 484859021 /nfs/dbraw/zinc/85/90/21/484859021.db2.gz WPANKSZZPGYFFU-OAHLLOKOSA-N 0 3 350.394 -0.421 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000420212533 484859144 /nfs/dbraw/zinc/85/91/44/484859144.db2.gz YCUHFFOAHRBOCS-DOTOQJQBSA-N 0 3 361.442 -0.011 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000420212535 484858987 /nfs/dbraw/zinc/85/89/87/484858987.db2.gz YCUHFFOAHRBOCS-NVXWUHKLSA-N 0 3 361.442 -0.011 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCCO)[C@H]1CCc2ccccc21 ZINC000420212537 484859122 /nfs/dbraw/zinc/85/91/22/484859122.db2.gz YCUHFFOAHRBOCS-RDJZCZTQSA-N 0 3 361.442 -0.011 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N(CCCO)[C@H]1CCc2ccccc21 ZINC000420212539 484858385 /nfs/dbraw/zinc/85/83/85/484858385.db2.gz YCUHFFOAHRBOCS-WBVHZDCISA-N 0 3 361.442 -0.011 20 0 FBADHN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420213104 484858440 /nfs/dbraw/zinc/85/84/40/484858440.db2.gz YIZWXZKURGTIJU-DOTOQJQBSA-N 0 3 360.458 -0.176 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420213105 484858798 /nfs/dbraw/zinc/85/87/98/484858798.db2.gz YIZWXZKURGTIJU-NVXWUHKLSA-N 0 3 360.458 -0.176 20 0 FBADHN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420213106 484858828 /nfs/dbraw/zinc/85/88/28/484858828.db2.gz YIZWXZKURGTIJU-RDJZCZTQSA-N 0 3 360.458 -0.176 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420213107 484858510 /nfs/dbraw/zinc/85/85/10/484858510.db2.gz YIZWXZKURGTIJU-WBVHZDCISA-N 0 3 360.458 -0.176 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000420213494 484858296 /nfs/dbraw/zinc/85/82/96/484858296.db2.gz YPUBCAKSYMVCAU-GDBMZVCRSA-N 0 3 374.441 -0.032 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000420213496 484859067 /nfs/dbraw/zinc/85/90/67/484859067.db2.gz YPUBCAKSYMVCAU-GOEBONIOSA-N 0 3 374.441 -0.032 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000420213498 484859247 /nfs/dbraw/zinc/85/92/47/484859247.db2.gz YPUBCAKSYMVCAU-HOCLYGCPSA-N 0 3 374.441 -0.032 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000420213500 484858539 /nfs/dbraw/zinc/85/85/39/484858539.db2.gz YPUBCAKSYMVCAU-ZBFHGGJFSA-N 0 3 374.441 -0.032 20 0 FBADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420213646 484859222 /nfs/dbraw/zinc/85/92/22/484859222.db2.gz YWPWVDSEHXEOSB-HNNXBMFYSA-N 0 3 366.437 -0.180 20 0 FBADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420213649 484858646 /nfs/dbraw/zinc/85/86/46/484858646.db2.gz YWPWVDSEHXEOSB-OAHLLOKOSA-N 0 3 366.437 -0.180 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000420213707 484859229 /nfs/dbraw/zinc/85/92/29/484859229.db2.gz ZBXBOEKTHOGDRZ-HUBLWGQQSA-N 0 3 369.368 -0.296 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000420213711 484859306 /nfs/dbraw/zinc/85/93/06/484859306.db2.gz ZBXBOEKTHOGDRZ-SLEUVZQESA-N 0 3 369.368 -0.296 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000420213715 484858630 /nfs/dbraw/zinc/85/86/30/484858630.db2.gz ZBXBOEKTHOGDRZ-TYNCELHUSA-N 0 3 369.368 -0.296 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000420213718 484859254 /nfs/dbraw/zinc/85/92/54/484859254.db2.gz ZBXBOEKTHOGDRZ-XUJVJEKNSA-N 0 3 369.368 -0.296 20 0 FBADHN COc1cccc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)CCO2)c1 ZINC000420214230 484859050 /nfs/dbraw/zinc/85/90/50/484859050.db2.gz ZJOGHFYRGBYDQV-CVEARBPZSA-N 0 3 363.414 -0.300 20 0 FBADHN COc1cccc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)CCO2)c1 ZINC000420214233 484859284 /nfs/dbraw/zinc/85/92/84/484859284.db2.gz ZJOGHFYRGBYDQV-HOTGVXAUSA-N 0 3 363.414 -0.300 20 0 FBADHN COc1cccc([C@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)CCO2)c1 ZINC000420214236 484859131 /nfs/dbraw/zinc/85/91/31/484859131.db2.gz ZJOGHFYRGBYDQV-HZPDHXFCSA-N 0 3 363.414 -0.300 20 0 FBADHN COc1cccc([C@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)CCO2)c1 ZINC000420214239 484858458 /nfs/dbraw/zinc/85/84/58/484858458.db2.gz ZJOGHFYRGBYDQV-JKSUJKDBSA-N 0 3 363.414 -0.300 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000420214656 484860473 /nfs/dbraw/zinc/86/04/73/484860473.db2.gz ZQTQMBVDDUGIKV-CVEARBPZSA-N 0 3 363.414 -0.603 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000420214657 484860432 /nfs/dbraw/zinc/86/04/32/484860432.db2.gz ZQTQMBVDDUGIKV-HOTGVXAUSA-N 0 3 363.414 -0.603 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000420214659 484860280 /nfs/dbraw/zinc/86/02/80/484860280.db2.gz ZQTQMBVDDUGIKV-HZPDHXFCSA-N 0 3 363.414 -0.603 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000420214661 484860153 /nfs/dbraw/zinc/86/01/53/484860153.db2.gz ZQTQMBVDDUGIKV-JKSUJKDBSA-N 0 3 363.414 -0.603 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420214913 484859795 /nfs/dbraw/zinc/85/97/95/484859795.db2.gz ZZJSEJBZQZKETA-INIZCTEOSA-N 0 3 364.421 -0.426 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420214916 484860350 /nfs/dbraw/zinc/86/03/50/484860350.db2.gz ZZJSEJBZQZKETA-MRXNPFEDSA-N 0 3 364.421 -0.426 20 0 FBADHN CN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(=O)N1CCNCC1 ZINC000420280180 484862414 /nfs/dbraw/zinc/86/24/14/484862414.db2.gz YIZORJYDLNTZOJ-KRWDZBQOSA-N 0 3 361.490 -0.231 20 0 FBADHN CN(CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(=O)N1CCNCC1 ZINC000420280181 484863610 /nfs/dbraw/zinc/86/36/10/484863610.db2.gz YIZORJYDLNTZOJ-QGZVFWFLSA-N 0 3 361.490 -0.231 20 0 FBADHN COCCN(C(=O)CN1CC[C@H](C)C[C@H]1CN)[C@H]1CCS(=O)(=O)C1 ZINC000420345433 484863256 /nfs/dbraw/zinc/86/32/56/484863256.db2.gz VJZJAPWTXJPWSI-KKUMJFAQSA-N 0 3 361.508 -0.292 20 0 FBADHN COCCN(C(=O)CN1CC[C@H](C)C[C@@H]1CN)[C@@H]1CCS(=O)(=O)C1 ZINC000420345434 484863278 /nfs/dbraw/zinc/86/32/78/484863278.db2.gz VJZJAPWTXJPWSI-RRFJBIMHSA-N 0 3 361.508 -0.292 20 0 FBADHN COCCN(C(=O)CN1CC[C@H](C)C[C@@H]1CN)[C@H]1CCS(=O)(=O)C1 ZINC000420345435 484862332 /nfs/dbraw/zinc/86/23/32/484862332.db2.gz VJZJAPWTXJPWSI-SOUVJXGZSA-N 0 3 361.508 -0.292 20 0 FBADHN COCCN(C(=O)CN1CC[C@H](C)C[C@H]1CN)[C@@H]1CCS(=O)(=O)C1 ZINC000420345436 484863418 /nfs/dbraw/zinc/86/34/18/484863418.db2.gz VJZJAPWTXJPWSI-ZNMIVQPWSA-N 0 3 361.508 -0.292 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN2CCCO[C@H](CN)C2)c(=O)n(C)c1=O ZINC000420390480 484865829 /nfs/dbraw/zinc/86/58/29/484865829.db2.gz NONHESDAKOXWDT-GFCCVEGCSA-N 0 3 367.450 -0.983 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN2CCCO[C@@H](CN)C2)c(=O)n(C)c1=O ZINC000420390481 484866861 /nfs/dbraw/zinc/86/68/61/484866861.db2.gz NONHESDAKOXWDT-LBPRGKRZSA-N 0 3 367.450 -0.983 20 0 FBADHN CC(C)N(CCCNC(=O)CN1C[C@H]2CCC[C@@H](C1)N2)S(C)(=O)=O ZINC000420398626 484866613 /nfs/dbraw/zinc/86/66/13/484866613.db2.gz NKVNCCWIZGKOTN-GASCZTMLSA-N 0 3 360.524 -0.011 20 0 FBADHN CNCCNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000420426915 484868324 /nfs/dbraw/zinc/86/83/24/484868324.db2.gz WUBVZMNGGGFBJK-UHFFFAOYSA-N 0 3 355.416 -0.562 20 0 FBADHN Cc1nn(C)cc1S(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420430657 484866350 /nfs/dbraw/zinc/86/63/50/484866350.db2.gz NMVSQRKKDWLGPM-LLVKDONJSA-N 0 3 355.386 -0.157 20 0 FBADHN Cc1nn(C)cc1S(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420430658 484866435 /nfs/dbraw/zinc/86/64/35/484866435.db2.gz NMVSQRKKDWLGPM-NSHDSACASA-N 0 3 355.386 -0.157 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)cn1 ZINC000420436065 484866326 /nfs/dbraw/zinc/86/63/26/484866326.db2.gz AJPFCUXMRIMCBU-SECBINFHSA-N 0 3 355.388 -0.239 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)cn1 ZINC000420436067 484866514 /nfs/dbraw/zinc/86/65/14/484866514.db2.gz AJPFCUXMRIMCBU-VIFPVBQESA-N 0 3 355.388 -0.239 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCC[NH2+]C3CC3)cnc21 ZINC000420449175 484866469 /nfs/dbraw/zinc/86/64/69/484866469.db2.gz MWBUONQBTJKOQS-UHFFFAOYSA-N 0 3 353.404 -0.546 20 0 FBADHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000420455620 484865644 /nfs/dbraw/zinc/86/56/44/484865644.db2.gz MMSPWHUSVORPJA-LLVKDONJSA-N 0 3 356.423 -0.108 20 0 FBADHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000420455628 484866821 /nfs/dbraw/zinc/86/68/21/484866821.db2.gz MMSPWHUSVORPJA-NSHDSACASA-N 0 3 356.423 -0.108 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000420457141 484865715 /nfs/dbraw/zinc/86/57/15/484865715.db2.gz IMGWBEXSMGXWRZ-UONOGXRCSA-N 0 3 361.489 -0.399 20 0 FBADHN COCCN(CCOC)S(=O)(=O)N1CCNC[C@H]1c1ccncc1 ZINC000420460374 484867535 /nfs/dbraw/zinc/86/75/35/484867535.db2.gz MTDUHLRHGFSBOB-HNNXBMFYSA-N 0 3 358.464 -0.133 20 0 FBADHN COCCN(CCOC)S(=O)(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000420460375 484867577 /nfs/dbraw/zinc/86/75/77/484867577.db2.gz MTDUHLRHGFSBOB-OAHLLOKOSA-N 0 3 358.464 -0.133 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@H]1CNCCN1C ZINC000420464458 484868097 /nfs/dbraw/zinc/86/80/97/484868097.db2.gz XNUGCSSDFJWOBU-GFCCVEGCSA-N 0 3 361.489 -0.420 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H]1CNCCN1C ZINC000420464460 484867165 /nfs/dbraw/zinc/86/71/65/484867165.db2.gz XNUGCSSDFJWOBU-LBPRGKRZSA-N 0 3 361.489 -0.420 20 0 FBADHN CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CNCCN2C)c1 ZINC000420464712 484867652 /nfs/dbraw/zinc/86/76/52/484867652.db2.gz XVDPOQOUNJOVBK-GFCCVEGCSA-N 0 3 361.489 -0.338 20 0 FBADHN CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CNCCN2C)c1 ZINC000420464713 484868337 /nfs/dbraw/zinc/86/83/37/484868337.db2.gz XVDPOQOUNJOVBK-LBPRGKRZSA-N 0 3 361.489 -0.338 20 0 FBADHN COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)s1 ZINC000420466125 484867353 /nfs/dbraw/zinc/86/73/53/484867353.db2.gz ZQJHKAANEOZLSU-SECBINFHSA-N 0 3 363.461 -0.275 20 0 FBADHN COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)s1 ZINC000420466126 484867181 /nfs/dbraw/zinc/86/71/81/484867181.db2.gz ZQJHKAANEOZLSU-VIFPVBQESA-N 0 3 363.461 -0.275 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC[NH2+]CC3(C)C)cnc21 ZINC000420468661 484867511 /nfs/dbraw/zinc/86/75/11/484867511.db2.gz ULMMWWOIJHVQGT-LLVKDONJSA-N 0 3 367.431 -0.300 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H]3CC[NH2+]CC3(C)C)cnc21 ZINC000420468662 484867195 /nfs/dbraw/zinc/86/71/95/484867195.db2.gz ULMMWWOIJHVQGT-NSHDSACASA-N 0 3 367.431 -0.300 20 0 FBADHN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC[C@H]3CNCCO3)ccc2O1 ZINC000420473558 484868176 /nfs/dbraw/zinc/86/81/76/484868176.db2.gz DLBWKWDVTDQNOB-DOMZBBRYSA-N 0 3 370.427 -0.180 20 0 FBADHN CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NC[C@H]3CNCCO3)ccc2O1 ZINC000420473560 484867445 /nfs/dbraw/zinc/86/74/45/484867445.db2.gz DLBWKWDVTDQNOB-IUODEOHRSA-N 0 3 370.427 -0.180 20 0 FBADHN CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CNCCO3)ccc2O1 ZINC000420473562 484867865 /nfs/dbraw/zinc/86/78/65/484867865.db2.gz DLBWKWDVTDQNOB-SWLSCSKDSA-N 0 3 370.427 -0.180 20 0 FBADHN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CNCCO3)ccc2O1 ZINC000420473564 484868299 /nfs/dbraw/zinc/86/82/99/484868299.db2.gz DLBWKWDVTDQNOB-WFASDCNBSA-N 0 3 370.427 -0.180 20 0 FBADHN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420474151 484867253 /nfs/dbraw/zinc/86/72/53/484867253.db2.gz FPHCBQBPKWTEIE-GFCCVEGCSA-N 0 3 372.399 -0.474 20 0 FBADHN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420474152 484868205 /nfs/dbraw/zinc/86/82/05/484868205.db2.gz FPHCBQBPKWTEIE-LBPRGKRZSA-N 0 3 372.399 -0.474 20 0 FBADHN COC(=O)CCOc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1 ZINC000420475394 484868146 /nfs/dbraw/zinc/86/81/46/484868146.db2.gz GWMTZBVQLFVUGY-CYBMUJFWSA-N 0 3 358.416 -0.105 20 0 FBADHN COC(=O)CCOc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1 ZINC000420475395 484867332 /nfs/dbraw/zinc/86/73/32/484867332.db2.gz GWMTZBVQLFVUGY-ZDUSSCGKSA-N 0 3 358.416 -0.105 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](N)Cc2ccccc21 ZINC000420475607 484867589 /nfs/dbraw/zinc/86/75/89/484867589.db2.gz NMFZKTAIGABZBI-CYBMUJFWSA-N 0 3 361.489 -0.012 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000420475608 484867216 /nfs/dbraw/zinc/86/72/16/484867216.db2.gz NMFZKTAIGABZBI-ZDUSSCGKSA-N 0 3 361.489 -0.012 20 0 FBADHN O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CNCCO1 ZINC000420477571 484867236 /nfs/dbraw/zinc/86/72/36/484867236.db2.gz KDLJQTIWGJPQQS-GFCCVEGCSA-N 0 3 367.427 -0.420 20 0 FBADHN O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CNCCO1 ZINC000420477574 484867810 /nfs/dbraw/zinc/86/78/10/484867810.db2.gz KDLJQTIWGJPQQS-LBPRGKRZSA-N 0 3 367.427 -0.420 20 0 FBADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420478836 484868117 /nfs/dbraw/zinc/86/81/17/484868117.db2.gz LWFHVXROHLDRCZ-GFCCVEGCSA-N 0 3 362.473 -0.026 20 0 FBADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420478837 484868226 /nfs/dbraw/zinc/86/82/26/484868226.db2.gz LWFHVXROHLDRCZ-LBPRGKRZSA-N 0 3 362.473 -0.026 20 0 FBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420478858 484868190 /nfs/dbraw/zinc/86/81/90/484868190.db2.gz LZURECFSCDVIOX-CYBMUJFWSA-N 0 3 358.416 -0.114 20 0 FBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420478859 484868086 /nfs/dbraw/zinc/86/80/86/484868086.db2.gz LZURECFSCDVIOX-ZDUSSCGKSA-N 0 3 358.416 -0.114 20 0 FBADHN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420481225 484868314 /nfs/dbraw/zinc/86/83/14/484868314.db2.gz QQKZLXGNHBJLEW-LLVKDONJSA-N 0 3 372.399 -0.474 20 0 FBADHN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420481227 484867131 /nfs/dbraw/zinc/86/71/31/484867131.db2.gz QQKZLXGNHBJLEW-NSHDSACASA-N 0 3 372.399 -0.474 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1C ZINC000420483055 484867692 /nfs/dbraw/zinc/86/76/92/484867692.db2.gz VOPUFMAXBQEGEO-LLVKDONJSA-N 0 3 363.461 -0.830 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1C ZINC000420483057 484867284 /nfs/dbraw/zinc/86/72/84/484867284.db2.gz VOPUFMAXBQEGEO-NSHDSACASA-N 0 3 363.461 -0.830 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CC[C@H](C(N)=O)CC2)n1 ZINC000420610623 484874845 /nfs/dbraw/zinc/87/48/45/484874845.db2.gz OACMMHGJMXPEDD-HAQNSBGRSA-N 0 3 351.455 -0.935 20 0 FBADHN CNc1nc(NC2CCN(OC)CC2)nc(NC2CCN(OC)CC2)n1 ZINC000420642623 484877248 /nfs/dbraw/zinc/87/72/48/484877248.db2.gz WEJIYJIWXSDELI-UHFFFAOYSA-N 0 3 366.470 -0.946 20 0 FBADHN CCCN1C[C@@H](CNc2nc(NCCO)nc(NC(C)C)n2)CC1=O ZINC000420656293 484876732 /nfs/dbraw/zinc/87/67/32/484876732.db2.gz UKLRHCCAGJXQIY-GFCCVEGCSA-N 0 3 351.455 -0.968 20 0 FBADHN CCCN1C[C@H](CNc2nc(NCCO)nc(NC(C)C)n2)CC1=O ZINC000420656297 484877091 /nfs/dbraw/zinc/87/70/91/484877091.db2.gz UKLRHCCAGJXQIY-LBPRGKRZSA-N 0 3 351.455 -0.968 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C[C@H](O)CO)C(C)C ZINC000420767670 484878725 /nfs/dbraw/zinc/87/87/25/484878725.db2.gz NIDQKPFGAYNELC-AWEZNQCLSA-N 0 3 362.496 -0.186 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C[C@@H](O)CO)C(C)C ZINC000420767672 484877846 /nfs/dbraw/zinc/87/78/46/484877846.db2.gz NIDQKPFGAYNELC-CQSZACIVSA-N 0 3 362.496 -0.186 20 0 FBADHN CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000420828867 484881232 /nfs/dbraw/zinc/88/12/32/484881232.db2.gz AMIKAMZAGPTRMF-CVEARBPZSA-N 0 3 360.458 -0.130 20 0 FBADHN CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000420828868 484881600 /nfs/dbraw/zinc/88/16/00/484881600.db2.gz AMIKAMZAGPTRMF-HOTGVXAUSA-N 0 3 360.458 -0.130 20 0 FBADHN CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000420828869 484880865 /nfs/dbraw/zinc/88/08/65/484880865.db2.gz AMIKAMZAGPTRMF-HZPDHXFCSA-N 0 3 360.458 -0.130 20 0 FBADHN CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000420828870 484880722 /nfs/dbraw/zinc/88/07/22/484880722.db2.gz AMIKAMZAGPTRMF-JKSUJKDBSA-N 0 3 360.458 -0.130 20 0 FBADHN NC(=O)CC1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CC1 ZINC000420832281 484882230 /nfs/dbraw/zinc/88/22/30/484882230.db2.gz BDGMIZWMPIZNJR-UHFFFAOYSA-N 0 3 353.467 -0.067 20 0 FBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)c1ccccc1 ZINC000420855908 484879331 /nfs/dbraw/zinc/87/93/31/484879331.db2.gz DQWXHJPGKJXXHJ-BBWFWOEESA-N 0 3 363.458 -0.003 20 0 FBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1)c1ccccc1 ZINC000420855910 484879385 /nfs/dbraw/zinc/87/93/85/484879385.db2.gz DQWXHJPGKJXXHJ-BRWVUGGUSA-N 0 3 363.458 -0.003 20 0 FBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1)c1ccccc1 ZINC000420855912 484880095 /nfs/dbraw/zinc/88/00/95/484880095.db2.gz DQWXHJPGKJXXHJ-GVDBMIGSSA-N 0 3 363.458 -0.003 20 0 FBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)c1ccccc1 ZINC000420855913 484879304 /nfs/dbraw/zinc/87/93/04/484879304.db2.gz DQWXHJPGKJXXHJ-ZACQAIPSSA-N 0 3 363.458 -0.003 20 0 FBADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000420868920 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COC(=O)[C@H]1CSCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422103143 484986621 /nfs/dbraw/zinc/98/66/21/484986621.db2.gz HBVQRSXTDYHPKM-OLZOCXBDSA-N 0 3 357.476 -0.096 20 0 FBADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422103144 484985946 /nfs/dbraw/zinc/98/59/46/484985946.db2.gz HBVQRSXTDYHPKM-QWHCGFSZSA-N 0 3 357.476 -0.096 20 0 FBADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422103145 484985917 /nfs/dbraw/zinc/98/59/17/484985917.db2.gz HBVQRSXTDYHPKM-STQMWFEESA-N 0 3 357.476 -0.096 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1=O ZINC000422104720 484986107 /nfs/dbraw/zinc/98/61/07/484986107.db2.gz IXBKCQIREQVFKT-AWEZNQCLSA-N 0 3 354.451 -0.754 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1=O ZINC000422104722 484985895 /nfs/dbraw/zinc/98/58/95/484985895.db2.gz IXBKCQIREQVFKT-CQSZACIVSA-N 0 3 354.451 -0.754 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422105090 484985647 /nfs/dbraw/zinc/98/56/47/484985647.db2.gz TXYRFSGLKPCHKT-CYBMUJFWSA-N 0 3 362.496 -0.673 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422105096 484986147 /nfs/dbraw/zinc/98/61/47/484986147.db2.gz TXYRFSGLKPCHKT-ZDUSSCGKSA-N 0 3 362.496 -0.673 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000422109116 484995605 /nfs/dbraw/zinc/99/56/05/484995605.db2.gz VIWJCNZATKZLSL-HNNXBMFYSA-N 0 3 373.457 -0.081 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000422109120 484996107 /nfs/dbraw/zinc/99/61/07/484996107.db2.gz VIWJCNZATKZLSL-OAHLLOKOSA-N 0 3 373.457 -0.081 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000422111075 484996171 /nfs/dbraw/zinc/99/61/71/484996171.db2.gz CWDCQRKTGZOHJC-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000422111076 484995693 /nfs/dbraw/zinc/99/56/93/484995693.db2.gz CWDCQRKTGZOHJC-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000422111081 484996123 /nfs/dbraw/zinc/99/61/23/484996123.db2.gz CWTCDQBSKBXVPW-HNNXBMFYSA-N 0 3 356.467 -0.460 20 0 FBADHN CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000422111082 484995626 /nfs/dbraw/zinc/99/56/26/484995626.db2.gz CWTCDQBSKBXVPW-OAHLLOKOSA-N 0 3 356.467 -0.460 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422111445 484996066 /nfs/dbraw/zinc/99/60/66/484996066.db2.gz YEGFEMCSNKZGGO-HNNXBMFYSA-N 0 3 367.494 -0.792 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422111452 484996146 /nfs/dbraw/zinc/99/61/46/484996146.db2.gz YEGFEMCSNKZGGO-OAHLLOKOSA-N 0 3 367.494 -0.792 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000422113603 484997290 /nfs/dbraw/zinc/99/72/90/484997290.db2.gz HUNKFNMBSQAOLS-CYBMUJFWSA-N 0 3 362.434 -0.852 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000422113604 484997564 /nfs/dbraw/zinc/99/75/64/484997564.db2.gz HUNKFNMBSQAOLS-ZDUSSCGKSA-N 0 3 362.434 -0.852 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422113711 484997327 /nfs/dbraw/zinc/99/73/27/484997327.db2.gz ICECQGLPGNQHDM-HNNXBMFYSA-N 0 3 360.462 -0.014 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422113714 484997231 /nfs/dbraw/zinc/99/72/31/484997231.db2.gz ICECQGLPGNQHDM-OAHLLOKOSA-N 0 3 360.462 -0.014 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422115067 484990805 /nfs/dbraw/zinc/99/08/05/484990805.db2.gz JMAVPAUAPXYEJX-AWEZNQCLSA-N 0 3 351.451 -0.052 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422115070 484991340 /nfs/dbraw/zinc/99/13/40/484991340.db2.gz JMAVPAUAPXYEJX-CQSZACIVSA-N 0 3 351.451 -0.052 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422115221 484990589 /nfs/dbraw/zinc/99/05/89/484990589.db2.gz MOEOVASSTQTZHB-CABCVRRESA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422115231 484990657 /nfs/dbraw/zinc/99/06/57/484990657.db2.gz MOEOVASSTQTZHB-GJZGRUSLSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422115233 484990842 /nfs/dbraw/zinc/99/08/42/484990842.db2.gz MOEOVASSTQTZHB-HUUCEWRRSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422115236 484991388 /nfs/dbraw/zinc/99/13/88/484991388.db2.gz MOEOVASSTQTZHB-LSDHHAIUSA-N 0 3 354.495 -0.157 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000422116183 484991142 /nfs/dbraw/zinc/99/11/42/484991142.db2.gz KPPWGCMCFRWENF-NEPJUHHUSA-N 0 3 369.384 -0.327 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000422116184 484990522 /nfs/dbraw/zinc/99/05/22/484990522.db2.gz KPPWGCMCFRWENF-RYUDHWBXSA-N 0 3 369.384 -0.327 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422117598 484991061 /nfs/dbraw/zinc/99/10/61/484991061.db2.gz PGDWRZXZFUEJRW-KBPBESRZSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422117605 484990377 /nfs/dbraw/zinc/99/03/77/484990377.db2.gz PGDWRZXZFUEJRW-KGLIPLIRSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422117607 484990974 /nfs/dbraw/zinc/99/09/74/484990974.db2.gz PGDWRZXZFUEJRW-UONOGXRCSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422117608 484990614 /nfs/dbraw/zinc/99/06/14/484990614.db2.gz PGDWRZXZFUEJRW-ZIAGYGMSSA-N 0 3 374.507 -0.532 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000422118696 484990914 /nfs/dbraw/zinc/99/09/14/484990914.db2.gz REBYWLUCXPUDIW-JTQLQIEISA-N 0 3 350.341 -0.270 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000422118697 484990796 /nfs/dbraw/zinc/99/07/96/484990796.db2.gz REBYWLUCXPUDIW-SNVBAGLBSA-N 0 3 350.341 -0.270 20 0 FBADHN CNC(=O)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000422119432 484990493 /nfs/dbraw/zinc/99/04/93/484990493.db2.gz OLZPURSWGAOCCC-CYBMUJFWSA-N 0 3 350.419 -0.236 20 0 FBADHN CNC(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000422119437 484990746 /nfs/dbraw/zinc/99/07/46/484990746.db2.gz OLZPURSWGAOCCC-ZDUSSCGKSA-N 0 3 350.419 -0.236 20 0 FBADHN COCC(COC)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422119629 484990246 /nfs/dbraw/zinc/99/02/46/484990246.db2.gz SNFAIPCYTSOJOE-HNNXBMFYSA-N 0 3 370.494 -0.655 20 0 FBADHN COCC(COC)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422119630 484991280 /nfs/dbraw/zinc/99/12/80/484991280.db2.gz SNFAIPCYTSOJOE-OAHLLOKOSA-N 0 3 370.494 -0.655 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCN1CC(C)(C)O ZINC000422119782 484991505 /nfs/dbraw/zinc/99/15/05/484991505.db2.gz PBDFYEDLZKPRHC-CABCVRRESA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCN1CC(C)(C)O ZINC000422119784 484990738 /nfs/dbraw/zinc/99/07/38/484990738.db2.gz PBDFYEDLZKPRHC-GJZGRUSLSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CCN1CC(C)(C)O ZINC000422119939 484991256 /nfs/dbraw/zinc/99/12/56/484991256.db2.gz PBDFYEDLZKPRHC-HUUCEWRRSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CCN1CC(C)(C)O ZINC000422119940 484991218 /nfs/dbraw/zinc/99/12/18/484991218.db2.gz PBDFYEDLZKPRHC-LSDHHAIUSA-N 0 3 354.495 -0.157 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422120810 484990478 /nfs/dbraw/zinc/99/04/78/484990478.db2.gz UXDSIMHJXMPTDS-CXAGYDPISA-N 0 3 355.435 -0.423 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422120820 484990990 /nfs/dbraw/zinc/99/09/90/484990990.db2.gz UXDSIMHJXMPTDS-DYVFJYSZSA-N 0 3 355.435 -0.423 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422120830 484991584 /nfs/dbraw/zinc/99/15/84/484991584.db2.gz UXDSIMHJXMPTDS-GUYCJALGSA-N 0 3 355.435 -0.423 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422120834 484991357 /nfs/dbraw/zinc/99/13/57/484991357.db2.gz UXDSIMHJXMPTDS-SUMWQHHRSA-N 0 3 355.435 -0.423 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000422121075 484513221 /nfs/dbraw/zinc/51/32/21/484513221.db2.gz UZYQWGGJJKZKDA-LLVKDONJSA-N 0 3 367.479 -0.679 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000422121080 484513530 /nfs/dbraw/zinc/51/35/30/484513530.db2.gz UZYQWGGJJKZKDA-NSHDSACASA-N 0 3 367.479 -0.679 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422121911 484991155 /nfs/dbraw/zinc/99/11/55/484991155.db2.gz VVCRNAJVBVSLJM-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422121912 484991539 /nfs/dbraw/zinc/99/15/39/484991539.db2.gz VVCRNAJVBVSLJM-OLZOCXBDSA-N 0 3 360.480 -0.921 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422121913 484990409 /nfs/dbraw/zinc/99/04/09/484990409.db2.gz VVCRNAJVBVSLJM-QWHCGFSZSA-N 0 3 360.480 -0.921 20 0 FBADHN 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485098465 /nfs/dbraw/zinc/09/84/65/485098465.db2.gz AVNGXVZWADOXGX-AWEZNQCLSA-N 0 3 353.467 -0.068 20 0 FBADHN CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423586095 485099146 /nfs/dbraw/zinc/09/91/46/485099146.db2.gz AVNGXVZWADOXGX-CQSZACIVSA-N 0 3 353.467 -0.068 20 0 FBADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423586800 485099258 /nfs/dbraw/zinc/09/92/58/485099258.db2.gz BOMYTJNGNCAQTG-KBPBESRZSA-N 0 3 354.451 -0.578 20 0 FBADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423586801 485099237 /nfs/dbraw/zinc/09/92/37/485099237.db2.gz BOMYTJNGNCAQTG-KGLIPLIRSA-N 0 3 354.451 -0.578 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423586803 485098569 /nfs/dbraw/zinc/09/85/69/485098569.db2.gz BOMYTJNGNCAQTG-UONOGXRCSA-N 0 3 354.451 -0.578 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423586805 485098915 /nfs/dbraw/zinc/09/89/15/485098915.db2.gz BOMYTJNGNCAQTG-ZIAGYGMSSA-N 0 3 354.451 -0.578 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000423587470 485108655 /nfs/dbraw/zinc/10/86/55/485108655.db2.gz CRADLEMLABSERB-JTQLQIEISA-N 0 3 350.341 -0.441 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000423587477 485108934 /nfs/dbraw/zinc/10/89/34/485108934.db2.gz CRADLEMLABSERB-SNVBAGLBSA-N 0 3 350.341 -0.441 20 0 FBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423587708 485108477 /nfs/dbraw/zinc/10/84/77/485108477.db2.gz CXVTTWCWKHFYHZ-CABCVRRESA-N 0 3 367.494 -0.615 20 0 FBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423587712 485108840 /nfs/dbraw/zinc/10/88/40/485108840.db2.gz CXVTTWCWKHFYHZ-GJZGRUSLSA-N 0 3 367.494 -0.615 20 0 FBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423587715 485108988 /nfs/dbraw/zinc/10/89/88/485108988.db2.gz CXVTTWCWKHFYHZ-HUUCEWRRSA-N 0 3 367.494 -0.615 20 0 FBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423587718 485109307 /nfs/dbraw/zinc/10/93/07/485109307.db2.gz CXVTTWCWKHFYHZ-LSDHHAIUSA-N 0 3 367.494 -0.615 20 0 FBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423590984 485099218 /nfs/dbraw/zinc/09/92/18/485099218.db2.gz FERJJPFWVIYNKN-HNNXBMFYSA-N 0 3 367.494 -0.661 20 0 FBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423590987 485098679 /nfs/dbraw/zinc/09/86/79/485098679.db2.gz FERJJPFWVIYNKN-OAHLLOKOSA-N 0 3 367.494 -0.661 20 0 FBADHN C[C@@H]1[C@H](C)NCCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423592301 485100361 /nfs/dbraw/zinc/10/03/61/485100361.db2.gz DFYOUNFZDJALRC-ARFHVFGLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1NCCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H]1C ZINC000423592302 485099852 /nfs/dbraw/zinc/09/98/52/485099852.db2.gz DFYOUNFZDJALRC-HRCADAONSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1NCCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H]1C ZINC000423592303 485099784 /nfs/dbraw/zinc/09/97/84/485099784.db2.gz DFYOUNFZDJALRC-JYJNAYRXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1[C@H](C)NCCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423592304 485099940 /nfs/dbraw/zinc/09/99/40/485099940.db2.gz DFYOUNFZDJALRC-XHSDSOJGSA-N 0 3 352.479 -0.092 20 0 FBADHN CCN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)[C@@H]1CCNC1=O ZINC000423596353 485100048 /nfs/dbraw/zinc/10/00/48/485100048.db2.gz MWBGLVJWLQKHMR-RRFJBIMHSA-N 0 3 362.405 -0.184 20 0 FBADHN CCN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)[C@H]1CCNC1=O ZINC000423596354 485100242 /nfs/dbraw/zinc/10/02/42/485100242.db2.gz MWBGLVJWLQKHMR-ZNMIVQPWSA-N 0 3 362.405 -0.184 20 0 FBADHN CN(CCN)C(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000423597032 485100410 /nfs/dbraw/zinc/10/04/10/485100410.db2.gz NYEXRYFQDFFLIN-CABCVRRESA-N 0 3 372.425 -0.420 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C[C@H](C)N1 ZINC000423601702 485101405 /nfs/dbraw/zinc/10/14/05/485101405.db2.gz SWPQSJNIJBDXMG-JYJNAYRXSA-N 0 3 352.479 -0.234 20 0 FBADHN CCOc1cccc(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)n1 ZINC000423601710 485101338 /nfs/dbraw/zinc/10/13/38/485101338.db2.gz CHGZJIAAIGKFRA-UHFFFAOYSA-N 0 3 361.446 -0.049 20 0 FBADHN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423602265 485101540 /nfs/dbraw/zinc/10/15/40/485101540.db2.gz CUOPQKGTHNHVAQ-INIZCTEOSA-N 0 3 373.457 -0.821 20 0 FBADHN NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423602269 485101529 /nfs/dbraw/zinc/10/15/29/485101529.db2.gz CUOPQKGTHNHVAQ-MRXNPFEDSA-N 0 3 373.457 -0.821 20 0 FBADHN O=C(C(=O)N1CCCNCC1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000423603090 485101639 /nfs/dbraw/zinc/10/16/39/485101639.db2.gz DPSMWHWWBCNOKM-UHFFFAOYSA-N 0 3 370.457 -0.200 20 0 FBADHN CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@H]1CCNC1=O ZINC000423603467 485101485 /nfs/dbraw/zinc/10/14/85/485101485.db2.gz UPZKWIOAQKCFSX-CFVMTHIKSA-N 0 3 362.405 -0.184 20 0 FBADHN CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@@H]1CCNC1=O ZINC000423603469 485101351 /nfs/dbraw/zinc/10/13/51/485101351.db2.gz UPZKWIOAQKCFSX-NWANDNLSSA-N 0 3 362.405 -0.184 20 0 FBADHN O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000423604050 485100980 /nfs/dbraw/zinc/10/09/80/485100980.db2.gz UTFAYKMRCZAXPW-YESZJQIVSA-N 0 3 364.490 -0.090 20 0 FBADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCO1 ZINC000423604410 485103065 /nfs/dbraw/zinc/10/30/65/485103065.db2.gz FQLQAXWZTIKJEM-DDUYRFODSA-N 0 3 365.405 -0.313 20 0 FBADHN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCO1 ZINC000423604411 485102216 /nfs/dbraw/zinc/10/22/16/485102216.db2.gz FQLQAXWZTIKJEM-JMGFVUJMSA-N 0 3 365.405 -0.313 20 0 FBADHN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCO1 ZINC000423604412 485102700 /nfs/dbraw/zinc/10/27/00/485102700.db2.gz FQLQAXWZTIKJEM-WXYCVUISSA-N 0 3 365.405 -0.313 20 0 FBADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCO1 ZINC000423604413 485103016 /nfs/dbraw/zinc/10/30/16/485103016.db2.gz FQLQAXWZTIKJEM-YUDUHTQSSA-N 0 3 365.405 -0.313 20 0 FBADHN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CCCNCC1 ZINC000423604480 485102731 /nfs/dbraw/zinc/10/27/31/485102731.db2.gz FZXVRLTZGGMPRY-UHFFFAOYSA-N 0 3 358.398 -0.437 20 0 FBADHN C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423605100 485102347 /nfs/dbraw/zinc/10/23/47/485102347.db2.gz GRKGEYFWKODZQI-CYBMUJFWSA-N 0 3 360.414 -0.503 20 0 FBADHN C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423605103 485102658 /nfs/dbraw/zinc/10/26/58/485102658.db2.gz GRKGEYFWKODZQI-ZDUSSCGKSA-N 0 3 360.414 -0.503 20 0 FBADHN C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423605414 485102872 /nfs/dbraw/zinc/10/28/72/485102872.db2.gz JFJUHUBNWCBMDL-AWEZNQCLSA-N 0 3 374.441 -0.113 20 0 FBADHN C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423605415 485103216 /nfs/dbraw/zinc/10/32/16/485103216.db2.gz JFJUHUBNWCBMDL-CQSZACIVSA-N 0 3 374.441 -0.113 20 0 FBADHN O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423605668 485102778 /nfs/dbraw/zinc/10/27/78/485102778.db2.gz HFTKWBBXIKSJLV-UHFFFAOYSA-N 0 3 358.442 -0.278 20 0 FBADHN CN(CCn1cc(Br)cn1)C(=O)C(=O)N1CCCNCC1 ZINC000423606478 485102330 /nfs/dbraw/zinc/10/23/30/485102330.db2.gz IKJGPTHMWMEFIP-UHFFFAOYSA-N 0 3 358.240 -0.074 20 0 FBADHN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCO1 ZINC000423607456 485103034 /nfs/dbraw/zinc/10/30/34/485103034.db2.gz JCEYKATUNDTVRB-CAPXZKIUSA-N 0 3 365.405 -0.313 20 0 FBADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCO1 ZINC000423607458 485102947 /nfs/dbraw/zinc/10/29/47/485102947.db2.gz JCEYKATUNDTVRB-DANNLKNASA-N 0 3 365.405 -0.313 20 0 FBADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCO1 ZINC000423607459 485102990 /nfs/dbraw/zinc/10/29/90/485102990.db2.gz JCEYKATUNDTVRB-KSYCFECVSA-N 0 3 365.405 -0.313 20 0 FBADHN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCO1 ZINC000423607461 485103246 /nfs/dbraw/zinc/10/32/46/485103246.db2.gz JCEYKATUNDTVRB-MSQAHXEGSA-N 0 3 365.405 -0.313 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423607516 485103205 /nfs/dbraw/zinc/10/32/05/485103205.db2.gz MVOMYSIZQKUGLV-CABCVRRESA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423607519 485102414 /nfs/dbraw/zinc/10/24/14/485102414.db2.gz MVOMYSIZQKUGLV-GJZGRUSLSA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423607521 485102368 /nfs/dbraw/zinc/10/23/68/485102368.db2.gz MVOMYSIZQKUGLV-HUUCEWRRSA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCNC[C@@H]2C)CCN1C1CCN(C)CC1 ZINC000423607523 485102756 /nfs/dbraw/zinc/10/27/56/485102756.db2.gz MVOMYSIZQKUGLV-LSDHHAIUSA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000423609952 485102685 /nfs/dbraw/zinc/10/26/85/485102685.db2.gz QERGTPMQNTWHGM-JXFKEZNVSA-N 0 3 374.485 -0.098 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000423609953 485102911 /nfs/dbraw/zinc/10/29/11/485102911.db2.gz QERGTPMQNTWHGM-OXJNMPFZSA-N 0 3 374.485 -0.098 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000423609954 485102749 /nfs/dbraw/zinc/10/27/49/485102749.db2.gz QERGTPMQNTWHGM-OXQOHEQNSA-N 0 3 374.485 -0.098 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000423609955 485102589 /nfs/dbraw/zinc/10/25/89/485102589.db2.gz QERGTPMQNTWHGM-UZLBHIALSA-N 0 3 374.485 -0.098 20 0 FBADHN O=C(CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1)Nc1ccccc1 ZINC000423610631 485104232 /nfs/dbraw/zinc/10/42/32/485104232.db2.gz MTGODKZLKPUZKJ-UHFFFAOYSA-N 0 3 373.457 -0.409 20 0 FBADHN COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c1 ZINC000423611749 485104089 /nfs/dbraw/zinc/10/40/89/485104089.db2.gz OKTLWOXIJPTQAX-UHFFFAOYSA-N 0 3 374.441 -0.199 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423613215 485104143 /nfs/dbraw/zinc/10/41/43/485104143.db2.gz VDWQVMCCOHGKOQ-DZGCQCFKSA-N 0 3 365.478 -0.863 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423613216 485103692 /nfs/dbraw/zinc/10/36/92/485103692.db2.gz VDWQVMCCOHGKOQ-HIFRSBDPSA-N 0 3 365.478 -0.863 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423613218 485103879 /nfs/dbraw/zinc/10/38/79/485103879.db2.gz VDWQVMCCOHGKOQ-UKRRQHHQSA-N 0 3 365.478 -0.863 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423613220 485104524 /nfs/dbraw/zinc/10/45/24/485104524.db2.gz VDWQVMCCOHGKOQ-ZFWWWQNUSA-N 0 3 365.478 -0.863 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cc1 ZINC000423613455 485104397 /nfs/dbraw/zinc/10/43/97/485104397.db2.gz RJERDHCLPSSPJI-UHFFFAOYSA-N 0 3 374.441 -0.199 20 0 FBADHN O=C(C(=O)N1CCCNCC1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000423615570 485104430 /nfs/dbraw/zinc/10/44/30/485104430.db2.gz UUSUWMLMTBANSL-UHFFFAOYSA-N 0 3 362.405 -0.182 20 0 FBADHN O=C(C(=O)N1CCCNCC1)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000423616724 485104703 /nfs/dbraw/zinc/10/47/03/485104703.db2.gz WYXLJWMYWWLYGO-MSOLQXFVSA-N 0 3 372.469 -0.080 20 0 FBADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CCN2C1=O ZINC000423618381 485104612 /nfs/dbraw/zinc/10/46/12/485104612.db2.gz YRBKZDDYKOXCLR-AWEZNQCLSA-N 0 3 351.451 -0.587 20 0 FBADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CCN2C1=O ZINC000423618384 485105444 /nfs/dbraw/zinc/10/54/44/485105444.db2.gz YRBKZDDYKOXCLR-CQSZACIVSA-N 0 3 351.451 -0.587 20 0 FBADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423618590 485105967 /nfs/dbraw/zinc/10/59/67/485105967.db2.gz ZDBFOUGBOGATSP-KRWDZBQOSA-N 0 3 355.435 -0.373 20 0 FBADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423618858 485105530 /nfs/dbraw/zinc/10/55/30/485105530.db2.gz ZDBFOUGBOGATSP-QGZVFWFLSA-N 0 3 355.435 -0.373 20 0 FBADHN CN(C)c1nc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(=O)[n-]1 ZINC000423620038 485106182 /nfs/dbraw/zinc/10/61/82/485106182.db2.gz VYECVIDKFXGJJL-LLVKDONJSA-N 0 3 350.423 -0.292 20 0 FBADHN CN(C)c1nc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc(=O)[n-]1 ZINC000423620045 485105779 /nfs/dbraw/zinc/10/57/79/485105779.db2.gz VYECVIDKFXGJJL-NSHDSACASA-N 0 3 350.423 -0.292 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC12COC2 ZINC000423621539 485105721 /nfs/dbraw/zinc/10/57/21/485105721.db2.gz KTLZLMGMPBPBAU-CHWSQXEVSA-N 0 3 353.419 -0.636 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC12COC2 ZINC000423621541 485105335 /nfs/dbraw/zinc/10/53/35/485105335.db2.gz KTLZLMGMPBPBAU-OLZOCXBDSA-N 0 3 353.419 -0.636 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CC12COC2 ZINC000423621542 485106040 /nfs/dbraw/zinc/10/60/40/485106040.db2.gz KTLZLMGMPBPBAU-QWHCGFSZSA-N 0 3 353.419 -0.636 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CC12COC2 ZINC000423621543 485105173 /nfs/dbraw/zinc/10/51/73/485105173.db2.gz KTLZLMGMPBPBAU-STQMWFEESA-N 0 3 353.419 -0.636 20 0 FBADHN C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423622960 485106224 /nfs/dbraw/zinc/10/62/24/485106224.db2.gz ZVZWZALUNHPVPW-HNNXBMFYSA-N 0 3 374.441 -0.113 20 0 FBADHN C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423622963 485105672 /nfs/dbraw/zinc/10/56/72/485105672.db2.gz ZVZWZALUNHPVPW-OAHLLOKOSA-N 0 3 374.441 -0.113 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000423623276 485105258 /nfs/dbraw/zinc/10/52/58/485105258.db2.gz NYAHBZIKEPOFDS-GHMZBOCLSA-N 0 3 364.368 -0.147 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000423623277 485106074 /nfs/dbraw/zinc/10/60/74/485106074.db2.gz NYAHBZIKEPOFDS-MNOVXSKESA-N 0 3 364.368 -0.147 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000423623278 485106098 /nfs/dbraw/zinc/10/60/98/485106098.db2.gz NYAHBZIKEPOFDS-QWRGUYRKSA-N 0 3 364.368 -0.147 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000423623279 485106322 /nfs/dbraw/zinc/10/63/22/485106322.db2.gz NYAHBZIKEPOFDS-WDEREUQCSA-N 0 3 364.368 -0.147 20 0 FBADHN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)C(=O)N1CCNCC1 ZINC000423623573 485105545 /nfs/dbraw/zinc/10/55/45/485105545.db2.gz OLAWZFIKCNCPQI-UHFFFAOYSA-N 0 3 373.501 -0.306 20 0 FBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000423624270 485105738 /nfs/dbraw/zinc/10/57/38/485105738.db2.gz CUFWFRBHRPYYLJ-ARFHVFGLSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)[C@@H](C)CN1 ZINC000423624271 485105120 /nfs/dbraw/zinc/10/51/20/485105120.db2.gz CUFWFRBHRPYYLJ-HRCADAONSA-N 0 3 352.479 -0.234 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000423624290 485105989 /nfs/dbraw/zinc/10/59/89/485105989.db2.gz CVBAMXSHGUIQGR-KBPBESRZSA-N 0 3 361.446 -0.052 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000423624291 485106010 /nfs/dbraw/zinc/10/60/10/485106010.db2.gz CVBAMXSHGUIQGR-KGLIPLIRSA-N 0 3 361.446 -0.052 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000423624292 485106275 /nfs/dbraw/zinc/10/62/75/485106275.db2.gz CVBAMXSHGUIQGR-UONOGXRCSA-N 0 3 361.446 -0.052 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000423624293 485106285 /nfs/dbraw/zinc/10/62/85/485106285.db2.gz CVBAMXSHGUIQGR-ZIAGYGMSSA-N 0 3 361.446 -0.052 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)[C@H](C)CN1 ZINC000423625132 485105828 /nfs/dbraw/zinc/10/58/28/485105828.db2.gz FBGZFIXVIBHHGG-BZUAXINKSA-N 0 3 365.522 -0.178 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)[C@H](C)CN1 ZINC000423625136 485105691 /nfs/dbraw/zinc/10/56/91/485105691.db2.gz FBGZFIXVIBHHGG-OAGGEKHMSA-N 0 3 365.522 -0.178 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)[C@@H](C)CN1 ZINC000423625138 485105657 /nfs/dbraw/zinc/10/56/57/485105657.db2.gz FBGZFIXVIBHHGG-OWCLPIDISA-N 0 3 365.522 -0.178 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)[C@@H](C)CN1 ZINC000423625142 485105932 /nfs/dbraw/zinc/10/59/32/485105932.db2.gz FBGZFIXVIBHHGG-PMPSAXMXSA-N 0 3 365.522 -0.178 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000423625210 485105808 /nfs/dbraw/zinc/10/58/08/485105808.db2.gz QVXFHNJXPHZHBY-AWEZNQCLSA-N 0 3 359.430 -0.294 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000423625213 485105106 /nfs/dbraw/zinc/10/51/06/485105106.db2.gz QVXFHNJXPHZHBY-CQSZACIVSA-N 0 3 359.430 -0.294 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)[C@@H](C)CN1 ZINC000423625304 485107317 /nfs/dbraw/zinc/10/73/17/485107317.db2.gz CUFWFRBHRPYYLJ-JYJNAYRXSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000423625306 485106968 /nfs/dbraw/zinc/10/69/68/485106968.db2.gz CUFWFRBHRPYYLJ-XHSDSOJGSA-N 0 3 352.479 -0.234 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423625314 485107201 /nfs/dbraw/zinc/10/72/01/485107201.db2.gz QZLYTSVCLZQDSZ-KBPBESRZSA-N 0 3 372.491 -0.647 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423625319 485107617 /nfs/dbraw/zinc/10/76/17/485107617.db2.gz QZLYTSVCLZQDSZ-KGLIPLIRSA-N 0 3 372.491 -0.647 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423625321 485107488 /nfs/dbraw/zinc/10/74/88/485107488.db2.gz QZLYTSVCLZQDSZ-UONOGXRCSA-N 0 3 372.491 -0.647 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423625324 485107426 /nfs/dbraw/zinc/10/74/26/485107426.db2.gz QZLYTSVCLZQDSZ-ZIAGYGMSSA-N 0 3 372.491 -0.647 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423627063 485106830 /nfs/dbraw/zinc/10/68/30/485106830.db2.gz TZGYUBNJEZXQHY-CHWSQXEVSA-N 0 3 360.480 -0.745 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423627066 485107507 /nfs/dbraw/zinc/10/75/07/485107507.db2.gz TZGYUBNJEZXQHY-OLZOCXBDSA-N 0 3 360.480 -0.745 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423627126 485106896 /nfs/dbraw/zinc/10/68/96/485106896.db2.gz TZGYUBNJEZXQHY-QWHCGFSZSA-N 0 3 360.480 -0.745 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423627127 485107526 /nfs/dbraw/zinc/10/75/26/485107526.db2.gz TZGYUBNJEZXQHY-STQMWFEESA-N 0 3 360.480 -0.745 20 0 FBADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN)CCN2C1=O ZINC000423627128 485107036 /nfs/dbraw/zinc/10/70/36/485107036.db2.gz TZIZEFASJNTGBN-CABCVRRESA-N 0 3 365.478 -0.069 20 0 FBADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CN)CCN2C1=O ZINC000423627131 485107229 /nfs/dbraw/zinc/10/72/29/485107229.db2.gz TZIZEFASJNTGBN-LSDHHAIUSA-N 0 3 365.478 -0.069 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423627147 485106853 /nfs/dbraw/zinc/10/68/53/485106853.db2.gz UAYTXFVZLHLFPA-CYBMUJFWSA-N 0 3 354.451 -0.578 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423627148 485107018 /nfs/dbraw/zinc/10/70/18/485107018.db2.gz UAYTXFVZLHLFPA-ZDUSSCGKSA-N 0 3 354.451 -0.578 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC2)n1 ZINC000423627303 485107246 /nfs/dbraw/zinc/10/72/46/485107246.db2.gz UIQSVQCMRGNCNJ-CYBMUJFWSA-N 0 3 350.423 -0.638 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423627596 485107555 /nfs/dbraw/zinc/10/75/55/485107555.db2.gz UWAYVJROXSAKHC-CYBMUJFWSA-N 0 3 372.433 -0.887 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423627597 485107149 /nfs/dbraw/zinc/10/71/49/485107149.db2.gz UWAYVJROXSAKHC-ZDUSSCGKSA-N 0 3 372.433 -0.887 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2CN)C[C@H]1C ZINC000423628099 485107517 /nfs/dbraw/zinc/10/75/17/485107517.db2.gz ACWZYYKVCUBFOW-HPTBWKMGSA-N 0 3 355.435 -0.391 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2CN)C[C@H]1C ZINC000423628100 485107445 /nfs/dbraw/zinc/10/74/45/485107445.db2.gz ACWZYYKVCUBFOW-IPJQOSJUSA-N 0 3 355.435 -0.391 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2CN)C[C@H]1C ZINC000423628102 485106662 /nfs/dbraw/zinc/10/66/62/485106662.db2.gz ACWZYYKVCUBFOW-KOFHJDLBSA-N 0 3 355.435 -0.391 20 0 FBADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2CN)C[C@H]1C ZINC000423628104 485106928 /nfs/dbraw/zinc/10/69/28/485106928.db2.gz ACWZYYKVCUBFOW-ZOPJHEKZSA-N 0 3 355.435 -0.391 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000423628868 485107070 /nfs/dbraw/zinc/10/70/70/485107070.db2.gz WVWMIQIENINGND-INIZCTEOSA-N 0 3 373.457 -0.226 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000423628963 485107079 /nfs/dbraw/zinc/10/70/79/485107079.db2.gz WVWMIQIENINGND-MRXNPFEDSA-N 0 3 373.457 -0.226 20 0 FBADHN CN(C)c1nc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(=O)[n-]1 ZINC000423629221 485106691 /nfs/dbraw/zinc/10/66/91/485106691.db2.gz KIORAFWBAAIVKM-JTQLQIEISA-N 0 3 362.356 -0.186 20 0 FBADHN CN(C)c1nc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(=O)[n-]1 ZINC000423629222 485107262 /nfs/dbraw/zinc/10/72/62/485107262.db2.gz KIORAFWBAAIVKM-SNVBAGLBSA-N 0 3 362.356 -0.186 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000423629879 485106763 /nfs/dbraw/zinc/10/67/63/485106763.db2.gz XTZVZOCPIUHIPI-CVEARBPZSA-N 0 3 352.479 -0.103 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000423629880 485107185 /nfs/dbraw/zinc/10/71/85/485107185.db2.gz XTZVZOCPIUHIPI-HZPDHXFCSA-N 0 3 352.479 -0.103 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000423630696 485109142 /nfs/dbraw/zinc/10/91/42/485109142.db2.gz YXLURPIWSVPFIT-BEFAXECRSA-N 0 3 358.442 -0.018 20 0 FBADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000423630699 485109055 /nfs/dbraw/zinc/10/90/55/485109055.db2.gz YXLURPIWSVPFIT-DNVCBOLYSA-N 0 3 358.442 -0.018 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000423630703 485108944 /nfs/dbraw/zinc/10/89/44/485108944.db2.gz YXLURPIWSVPFIT-HNAYVOBHSA-N 0 3 358.442 -0.018 20 0 FBADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000423630707 485108544 /nfs/dbraw/zinc/10/85/44/485108544.db2.gz YXLURPIWSVPFIT-KXBFYZLASA-N 0 3 358.442 -0.018 20 0 FBADHN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423631309 485108796 /nfs/dbraw/zinc/10/87/96/485108796.db2.gz ZPNKAMGPGDOSGQ-CHWSQXEVSA-N 0 3 360.480 -0.791 20 0 FBADHN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423631323 485108325 /nfs/dbraw/zinc/10/83/25/485108325.db2.gz ZPNKAMGPGDOSGQ-OLZOCXBDSA-N 0 3 360.480 -0.791 20 0 FBADHN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423631325 485108459 /nfs/dbraw/zinc/10/84/59/485108459.db2.gz ZPNKAMGPGDOSGQ-QWHCGFSZSA-N 0 3 360.480 -0.791 20 0 FBADHN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423631328 485109389 /nfs/dbraw/zinc/10/93/89/485109389.db2.gz ZPNKAMGPGDOSGQ-STQMWFEESA-N 0 3 360.480 -0.791 20 0 FBADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423631383 485108769 /nfs/dbraw/zinc/10/87/69/485108769.db2.gz ZSSPSHLGQSNQLP-CYBMUJFWSA-N 0 3 353.467 -0.022 20 0 FBADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423631384 485107968 /nfs/dbraw/zinc/10/79/68/485107968.db2.gz ZSSPSHLGQSNQLP-ZDUSSCGKSA-N 0 3 353.467 -0.022 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000423631493 485108877 /nfs/dbraw/zinc/10/88/77/485108877.db2.gz MLCKROITDLIKDP-CABCVRRESA-N 0 3 367.494 -0.792 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000423631495 485107989 /nfs/dbraw/zinc/10/79/89/485107989.db2.gz MLCKROITDLIKDP-GJZGRUSLSA-N 0 3 367.494 -0.792 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000423631496 485109185 /nfs/dbraw/zinc/10/91/85/485109185.db2.gz MLCKROITDLIKDP-HUUCEWRRSA-N 0 3 367.494 -0.792 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000423631497 485108497 /nfs/dbraw/zinc/10/84/97/485108497.db2.gz MLCKROITDLIKDP-LSDHHAIUSA-N 0 3 367.494 -0.792 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000423635314 485109369 /nfs/dbraw/zinc/10/93/69/485109369.db2.gz AAZZRHKNTQLBRB-HNNXBMFYSA-N 0 3 362.405 -0.054 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000423635316 485108378 /nfs/dbraw/zinc/10/83/78/485108378.db2.gz AAZZRHKNTQLBRB-OAHLLOKOSA-N 0 3 362.405 -0.054 20 0 FBADHN [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423638120 485108724 /nfs/dbraw/zinc/10/87/24/485108724.db2.gz DNMMBUVNTGTLOG-AWEZNQCLSA-N 0 3 360.414 -0.374 20 0 FBADHN [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423638121 485108670 /nfs/dbraw/zinc/10/86/70/485108670.db2.gz DNMMBUVNTGTLOG-CQSZACIVSA-N 0 3 360.414 -0.374 20 0 FBADHN [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423638901 485109778 /nfs/dbraw/zinc/10/97/78/485109778.db2.gz FFDUNTRDYITOGJ-CYBMUJFWSA-N 0 3 360.414 -0.374 20 0 FBADHN [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423638902 485109937 /nfs/dbraw/zinc/10/99/37/485109937.db2.gz FFDUNTRDYITOGJ-ZDUSSCGKSA-N 0 3 360.414 -0.374 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000423641122 485110363 /nfs/dbraw/zinc/11/03/63/485110363.db2.gz HDSGUDZWKIHWNF-GFCCVEGCSA-N 0 3 370.404 -0.128 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)[C@@H](C)CN1 ZINC000423644714 485109898 /nfs/dbraw/zinc/10/98/98/485109898.db2.gz YFWBWTVAVRHMQX-ILXRZTDVSA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)[C@H](C)CN1 ZINC000423644721 485110300 /nfs/dbraw/zinc/11/03/00/485110300.db2.gz YFWBWTVAVRHMQX-KFWWJZLASA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)[C@@H](C)CN1 ZINC000423644729 485110224 /nfs/dbraw/zinc/11/02/24/485110224.db2.gz YFWBWTVAVRHMQX-QLFBSQMISA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)[C@H](C)CN1 ZINC000423644734 485110663 /nfs/dbraw/zinc/11/06/63/485110663.db2.gz YFWBWTVAVRHMQX-RBSFLKMASA-N 0 3 352.479 -0.093 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000423648144 485111228 /nfs/dbraw/zinc/11/12/28/485111228.db2.gz NSWBUDWDXIHIML-CYBMUJFWSA-N 0 3 350.444 -0.018 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000423648244 485112073 /nfs/dbraw/zinc/11/20/73/485112073.db2.gz NVMXTOKHTYVPAK-SNVBAGLBSA-N 0 3 354.348 -0.019 20 0 FBADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN)CCN2C1=O ZINC000423648448 485111394 /nfs/dbraw/zinc/11/13/94/485111394.db2.gz OBTVTRCJZNKCFM-KBPBESRZSA-N 0 3 351.451 -0.460 20 0 FBADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CCN2C1=O ZINC000423648452 485111478 /nfs/dbraw/zinc/11/14/78/485111478.db2.gz OBTVTRCJZNKCFM-KGLIPLIRSA-N 0 3 351.451 -0.460 20 0 FBADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN)CCN2C1=O ZINC000423648454 485111666 /nfs/dbraw/zinc/11/16/66/485111666.db2.gz OBTVTRCJZNKCFM-UONOGXRCSA-N 0 3 351.451 -0.460 20 0 FBADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CCN2C1=O ZINC000423648457 485111755 /nfs/dbraw/zinc/11/17/55/485111755.db2.gz OBTVTRCJZNKCFM-ZIAGYGMSSA-N 0 3 351.451 -0.460 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000423649425 485112060 /nfs/dbraw/zinc/11/20/60/485112060.db2.gz PHEBVYSNUJTCTD-HNNXBMFYSA-N 0 3 359.430 -0.616 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000423649427 485111694 /nfs/dbraw/zinc/11/16/94/485111694.db2.gz PHEBVYSNUJTCTD-OAHLLOKOSA-N 0 3 359.430 -0.616 20 0 FBADHN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423649429 485111920 /nfs/dbraw/zinc/11/19/20/485111920.db2.gz PHJZVVWLOVEXGU-GFCCVEGCSA-N 0 3 358.398 -0.309 20 0 FBADHN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CCC[C@H]1CN ZINC000423649433 485111575 /nfs/dbraw/zinc/11/15/75/485111575.db2.gz PHJZVVWLOVEXGU-LBPRGKRZSA-N 0 3 358.398 -0.309 20 0 FBADHN CN(C)C(=O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423650147 485111587 /nfs/dbraw/zinc/11/15/87/485111587.db2.gz KIMYKPUTCFUIMT-HRCADAONSA-N 0 3 358.442 -0.124 20 0 FBADHN CN(C)C(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423650150 485112011 /nfs/dbraw/zinc/11/20/11/485112011.db2.gz KIMYKPUTCFUIMT-OWCLPIDISA-N 0 3 358.442 -0.124 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C[C@H](C)N1CCO ZINC000423652101 485111770 /nfs/dbraw/zinc/11/17/70/485111770.db2.gz RYJACGYAOCALQD-CIRFHOKZSA-N 0 3 374.485 -0.147 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000423652119 485111853 /nfs/dbraw/zinc/11/18/53/485111853.db2.gz SHYOKLSBDPLEEU-BHYGNILZSA-N 0 3 360.458 -0.535 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000423652120 485111180 /nfs/dbraw/zinc/11/11/80/485111180.db2.gz SHYOKLSBDPLEEU-HYVNUMGLSA-N 0 3 360.458 -0.535 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000423654664 485112815 /nfs/dbraw/zinc/11/28/15/485112815.db2.gz AUTIVYFHFMJVRS-MRXNPFEDSA-N 0 3 370.457 -0.072 20 0 FBADHN CCc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3CN)CC2)n1 ZINC000423657174 485113277 /nfs/dbraw/zinc/11/32/77/485113277.db2.gz YGZXJQNSTNLPDS-LLVKDONJSA-N 0 3 352.464 -0.301 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccco3)CC2)[C@@H](CN)C1 ZINC000423660389 485113903 /nfs/dbraw/zinc/11/39/03/485113903.db2.gz CMMNENMADIXWGR-CABCVRRESA-N 0 3 364.446 -0.112 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccco3)CC2)[C@H](CN)C1 ZINC000423660391 485113733 /nfs/dbraw/zinc/11/37/33/485113733.db2.gz CMMNENMADIXWGR-GJZGRUSLSA-N 0 3 364.446 -0.112 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccco3)CC2)[C@@H](CN)C1 ZINC000423660393 485114275 /nfs/dbraw/zinc/11/42/75/485114275.db2.gz CMMNENMADIXWGR-HUUCEWRRSA-N 0 3 364.446 -0.112 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccco3)CC2)[C@H](CN)C1 ZINC000423660394 485114092 /nfs/dbraw/zinc/11/40/92/485114092.db2.gz CMMNENMADIXWGR-LSDHHAIUSA-N 0 3 364.446 -0.112 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)CCS1(=O)=O ZINC000423660817 485114490 /nfs/dbraw/zinc/11/44/90/485114490.db2.gz BEEHIACKDIIUCE-CYBMUJFWSA-N 0 3 353.444 -0.381 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)CCS1(=O)=O ZINC000423660819 485114210 /nfs/dbraw/zinc/11/42/10/485114210.db2.gz BEEHIACKDIIUCE-ZDUSSCGKSA-N 0 3 353.444 -0.381 20 0 FBADHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2CN)C1 ZINC000423661932 485114253 /nfs/dbraw/zinc/11/42/53/485114253.db2.gz FANVCTCPPAHBNI-GDZNZVCISA-N 0 3 355.435 -0.247 20 0 FBADHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2CN)C1 ZINC000423661933 485113744 /nfs/dbraw/zinc/11/37/44/485113744.db2.gz FANVCTCPPAHBNI-IIYDPXPESA-N 0 3 355.435 -0.247 20 0 FBADHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2CN)C1 ZINC000423662221 485114245 /nfs/dbraw/zinc/11/42/45/485114245.db2.gz FANVCTCPPAHBNI-OGHNNQOOSA-N 0 3 355.435 -0.247 20 0 FBADHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2CN)C1 ZINC000423662223 485113761 /nfs/dbraw/zinc/11/37/61/485113761.db2.gz FANVCTCPPAHBNI-PBFPGSCMSA-N 0 3 355.435 -0.247 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)[C@H](CN)C1 ZINC000423662243 485113983 /nfs/dbraw/zinc/11/39/83/485113983.db2.gz FCANDJJOLQNBIY-KBPBESRZSA-N 0 3 368.478 -0.191 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)[C@@H](CN)C1 ZINC000423662244 485115063 /nfs/dbraw/zinc/11/50/63/485115063.db2.gz FCANDJJOLQNBIY-KGLIPLIRSA-N 0 3 368.478 -0.191 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)[C@H](CN)C1 ZINC000423662245 485115114 /nfs/dbraw/zinc/11/51/14/485115114.db2.gz FCANDJJOLQNBIY-UONOGXRCSA-N 0 3 368.478 -0.191 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)[C@@H](CN)C1 ZINC000423662246 485115072 /nfs/dbraw/zinc/11/50/72/485115072.db2.gz FCANDJJOLQNBIY-ZIAGYGMSSA-N 0 3 368.478 -0.191 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)[C@@H](CN)C1 ZINC000423662257 485114959 /nfs/dbraw/zinc/11/49/59/485114959.db2.gz FDYLNOAPDDZLJJ-CVEARBPZSA-N 0 3 374.441 -0.174 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)[C@H](CN)C1 ZINC000423662259 485115009 /nfs/dbraw/zinc/11/50/09/485115009.db2.gz FDYLNOAPDDZLJJ-HOTGVXAUSA-N 0 3 374.441 -0.174 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)[C@@H](CN)C1 ZINC000423662260 485114801 /nfs/dbraw/zinc/11/48/01/485114801.db2.gz FDYLNOAPDDZLJJ-HZPDHXFCSA-N 0 3 374.441 -0.174 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)[C@H](CN)C1 ZINC000423662261 485115101 /nfs/dbraw/zinc/11/51/01/485115101.db2.gz FDYLNOAPDDZLJJ-JKSUJKDBSA-N 0 3 374.441 -0.174 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000423666200 485115271 /nfs/dbraw/zinc/11/52/71/485115271.db2.gz IAHUPGHLSJIEQH-HNNXBMFYSA-N 0 3 355.460 -0.055 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000423666202 485115433 /nfs/dbraw/zinc/11/54/33/485115433.db2.gz IAHUPGHLSJIEQH-OAHLLOKOSA-N 0 3 355.460 -0.055 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)[C@@H](CN)C1 ZINC000423666415 485115246 /nfs/dbraw/zinc/11/52/46/485115246.db2.gz ILSGKXHBDLGTFB-NEPJUHHUSA-N 0 3 366.384 -0.342 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)[C@H](CN)C1 ZINC000423666416 485115422 /nfs/dbraw/zinc/11/54/22/485115422.db2.gz ILSGKXHBDLGTFB-NWDGAFQWSA-N 0 3 366.384 -0.342 20 0 FBADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)[C@H](CN)C1 ZINC000423666417 485115154 /nfs/dbraw/zinc/11/51/54/485115154.db2.gz ILSGKXHBDLGTFB-RYUDHWBXSA-N 0 3 366.384 -0.342 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)CCO1 ZINC000423666466 485115218 /nfs/dbraw/zinc/11/52/18/485115218.db2.gz LZQJCFSAXVWPJY-INIZCTEOSA-N 0 3 362.430 -0.663 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)CCO1 ZINC000423666467 485115161 /nfs/dbraw/zinc/11/51/61/485115161.db2.gz LZQJCFSAXVWPJY-MRXNPFEDSA-N 0 3 362.430 -0.663 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)[C@@H](CN)C1 ZINC000423666700 485115353 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485116827 /nfs/dbraw/zinc/11/68/27/485116827.db2.gz YFUNQXOMAYSSSQ-UHFFFAOYSA-N 0 3 362.430 -0.709 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000423672421 485117427 /nfs/dbraw/zinc/11/74/27/485117427.db2.gz OBPNPDUIKWQXIW-INIZCTEOSA-N 0 3 358.442 -0.150 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000423672422 485117279 /nfs/dbraw/zinc/11/72/79/485117279.db2.gz OBPNPDUIKWQXIW-MRXNPFEDSA-N 0 3 358.442 -0.150 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000423676487 485117070 /nfs/dbraw/zinc/11/70/70/485117070.db2.gz GJIIRIXBQZIDGO-UHFFFAOYSA-N 0 3 362.430 -0.709 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000423678405 485118405 /nfs/dbraw/zinc/11/84/05/485118405.db2.gz IQBVSWQQOPPGTO-UHFFFAOYSA-N 0 3 362.430 -0.709 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000423678413 485118320 /nfs/dbraw/zinc/11/83/20/485118320.db2.gz IQRDKRNZCVFCLC-UHFFFAOYSA-N 0 3 362.474 -0.111 20 0 FBADHN 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FBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCC[C@@H]3CN)CC2)cc1 ZINC000423685761 485119786 /nfs/dbraw/zinc/11/97/86/485119786.db2.gz VIAVBNQRHBNJJA-OAHLLOKOSA-N 0 3 374.441 -0.071 20 0 FBADHN [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000423686322 485119741 /nfs/dbraw/zinc/11/97/41/485119741.db2.gz YXSBLICRJWVUHF-AWEZNQCLSA-N 0 3 373.413 -0.873 20 0 FBADHN [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000423686327 485119721 /nfs/dbraw/zinc/11/97/21/485119721.db2.gz YXSBLICRJWVUHF-CQSZACIVSA-N 0 3 373.413 -0.873 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2CN)CCN1C[C@@H](C)O ZINC000423686931 485119278 /nfs/dbraw/zinc/11/92/78/485119278.db2.gz ZRSRXMCWDWUOKZ-FPCVCCKLSA-N 0 3 370.494 -0.745 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2CN)CCN1C[C@H](C)O ZINC000423686934 485119678 /nfs/dbraw/zinc/11/96/78/485119678.db2.gz ZRSRXMCWDWUOKZ-FZKCQIBNSA-N 0 3 370.494 -0.745 20 0 FBADHN 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/nfs/dbraw/zinc/11/98/67/485119867.db2.gz RQXKVYJPOIYPKK-UHFFFAOYSA-N 0 3 368.459 -0.922 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC2)s1 ZINC000423694056 485119585 /nfs/dbraw/zinc/11/95/85/485119585.db2.gz FRSNSLIZJDEIFM-LLVKDONJSA-N 0 3 368.459 -0.011 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC2)s1 ZINC000423694057 485119105 /nfs/dbraw/zinc/11/91/05/485119105.db2.gz FRSNSLIZJDEIFM-NSHDSACASA-N 0 3 368.459 -0.011 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000423694485 485119125 /nfs/dbraw/zinc/11/91/25/485119125.db2.gz BBISCBSHJIPEKS-DZGCQCFKSA-N 0 3 361.446 -0.837 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000423694488 485121001 /nfs/dbraw/zinc/12/10/01/485121001.db2.gz BBISCBSHJIPEKS-HIFRSBDPSA-N 0 3 361.446 -0.837 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000423694490 485120725 /nfs/dbraw/zinc/12/07/25/485120725.db2.gz BBISCBSHJIPEKS-UKRRQHHQSA-N 0 3 361.446 -0.837 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000423694492 485120514 /nfs/dbraw/zinc/12/05/14/485120514.db2.gz BBISCBSHJIPEKS-ZFWWWQNUSA-N 0 3 361.446 -0.837 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423694506 485120979 /nfs/dbraw/zinc/12/09/79/485120979.db2.gz BCWXNCJSWVERKV-CABCVRRESA-N 0 3 367.494 -0.663 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000423694507 485121105 /nfs/dbraw/zinc/12/11/05/485121105.db2.gz BCWXNCJSWVERKV-GJZGRUSLSA-N 0 3 367.494 -0.663 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000423694548 485120465 /nfs/dbraw/zinc/12/04/65/485120465.db2.gz FVUVFWOVODPPPR-OIISXLGYSA-N 0 3 360.458 -0.096 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000423694549 485120671 /nfs/dbraw/zinc/12/06/71/485120671.db2.gz FVUVFWOVODPPPR-UAGQMJEPSA-N 0 3 360.458 -0.096 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423694747 485120617 /nfs/dbraw/zinc/12/06/17/485120617.db2.gz BCWXNCJSWVERKV-HUUCEWRRSA-N 0 3 367.494 -0.663 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000423694749 485120371 /nfs/dbraw/zinc/12/03/71/485120371.db2.gz BCWXNCJSWVERKV-LSDHHAIUSA-N 0 3 367.494 -0.663 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000423694910 485121142 /nfs/dbraw/zinc/12/11/42/485121142.db2.gz BKEMABQLYMECMT-AWEZNQCLSA-N 0 3 358.446 -0.216 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000423694915 485120443 /nfs/dbraw/zinc/12/04/43/485120443.db2.gz BKEMABQLYMECMT-CQSZACIVSA-N 0 3 358.446 -0.216 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423694948 485120484 /nfs/dbraw/zinc/12/04/84/485120484.db2.gz BLDLLHBLAWLASJ-HNNXBMFYSA-N 0 3 367.494 -0.661 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423694951 485121055 /nfs/dbraw/zinc/12/10/55/485121055.db2.gz BLDLLHBLAWLASJ-OAHLLOKOSA-N 0 3 367.494 -0.661 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000423697408 485120746 /nfs/dbraw/zinc/12/07/46/485120746.db2.gz ZSPCAXRFXJDYTF-KRWDZBQOSA-N 0 3 360.458 -0.093 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000423697410 485120822 /nfs/dbraw/zinc/12/08/22/485120822.db2.gz ZSPCAXRFXJDYTF-QGZVFWFLSA-N 0 3 360.458 -0.093 20 0 FBADHN CN(CCN)C(=O)C(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000423703256 485120875 /nfs/dbraw/zinc/12/08/75/485120875.db2.gz BQWMMEVMGZQVGH-UHFFFAOYSA-N 0 3 361.490 -0.320 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423711757 485121935 /nfs/dbraw/zinc/12/19/35/485121935.db2.gz CJKDHNWVFMJOLI-AWEZNQCLSA-N 0 3 367.494 -0.615 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423711758 485121669 /nfs/dbraw/zinc/12/16/69/485121669.db2.gz CJKDHNWVFMJOLI-CQSZACIVSA-N 0 3 367.494 -0.615 20 0 FBADHN C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423712362 485121587 /nfs/dbraw/zinc/12/15/87/485121587.db2.gz OAZAUHBCXFJEEW-UHFFFAOYSA-N 0 3 362.430 -0.256 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000423713317 485122963 /nfs/dbraw/zinc/12/29/63/485122963.db2.gz FCSNINGDNTXRTD-CYBMUJFWSA-N 0 3 364.421 -0.155 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000423713320 485123740 /nfs/dbraw/zinc/12/37/40/485123740.db2.gz FCSNINGDNTXRTD-ZDUSSCGKSA-N 0 3 364.421 -0.155 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423714211 485123519 /nfs/dbraw/zinc/12/35/19/485123519.db2.gz FXZVJPPEDGQMSM-CYBMUJFWSA-N 0 3 368.459 -0.675 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423714213 485123706 /nfs/dbraw/zinc/12/37/06/485123706.db2.gz FXZVJPPEDGQMSM-ZDUSSCGKSA-N 0 3 368.459 -0.675 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N(C)[C@H](C)CN)cc1 ZINC000423714532 485123385 /nfs/dbraw/zinc/12/33/85/485123385.db2.gz GGKMNAYEAKCMOA-CYBMUJFWSA-N 0 3 370.475 -0.463 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N(C)[C@@H](C)CN)cc1 ZINC000423714533 485123063 /nfs/dbraw/zinc/12/30/63/485123063.db2.gz GGKMNAYEAKCMOA-ZDUSSCGKSA-N 0 3 370.475 -0.463 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000423715459 485123675 /nfs/dbraw/zinc/12/36/75/485123675.db2.gz HMXVKJQITGUMTL-CVEARBPZSA-N 0 3 352.479 -0.232 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000423715461 485123426 /nfs/dbraw/zinc/12/34/26/485123426.db2.gz HMXVKJQITGUMTL-HOTGVXAUSA-N 0 3 352.479 -0.232 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000423715463 485123201 /nfs/dbraw/zinc/12/32/01/485123201.db2.gz HMXVKJQITGUMTL-HZPDHXFCSA-N 0 3 352.479 -0.232 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000423715465 485123231 /nfs/dbraw/zinc/12/32/31/485123231.db2.gz HMXVKJQITGUMTL-JKSUJKDBSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000423715925 485123720 /nfs/dbraw/zinc/12/37/20/485123720.db2.gz HZNNNNBFSIVBJL-GFCCVEGCSA-N 0 3 350.394 -0.084 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000423715927 485123746 /nfs/dbraw/zinc/12/37/46/485123746.db2.gz HZNNNNBFSIVBJL-LBPRGKRZSA-N 0 3 350.394 -0.084 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423716246 485123502 /nfs/dbraw/zinc/12/35/02/485123502.db2.gz ILHXUTDGFXYYIC-AWEZNQCLSA-N 0 3 361.446 -0.425 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423716247 485123728 /nfs/dbraw/zinc/12/37/28/485123728.db2.gz ILHXUTDGFXYYIC-CQSZACIVSA-N 0 3 361.446 -0.425 20 0 FBADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC2)c(C)o1 ZINC000423716726 485122952 /nfs/dbraw/zinc/12/29/52/485122952.db2.gz IXQOKAHHSGLLGV-LLVKDONJSA-N 0 3 350.419 -0.014 20 0 FBADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC2)c(C)o1 ZINC000423716729 485122999 /nfs/dbraw/zinc/12/29/99/485122999.db2.gz IXQOKAHHSGLLGV-NSHDSACASA-N 0 3 350.419 -0.014 20 0 FBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000423716755 485123664 /nfs/dbraw/zinc/12/36/64/485123664.db2.gz YDZKSICGVLYZDK-BBRMVZONSA-N 0 3 355.483 -0.855 20 0 FBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000423716756 485123579 /nfs/dbraw/zinc/12/35/79/485123579.db2.gz YDZKSICGVLYZDK-CJNGLKHVSA-N 0 3 355.483 -0.855 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000423716854 485123351 /nfs/dbraw/zinc/12/33/51/485123351.db2.gz JDDOULHTHVSLJA-GFCCVEGCSA-N 0 3 350.394 -0.084 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000423716855 485122976 /nfs/dbraw/zinc/12/29/76/485122976.db2.gz JDDOULHTHVSLJA-LBPRGKRZSA-N 0 3 350.394 -0.084 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C[C@@H](C)S1(=O)=O ZINC000423717630 485123776 /nfs/dbraw/zinc/12/37/76/485123776.db2.gz BESXGACLNKKMIB-DGAVXFQQSA-N 0 3 359.492 -0.004 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C[C@H](C)S1(=O)=O ZINC000423717631 485123771 /nfs/dbraw/zinc/12/37/71/485123771.db2.gz BESXGACLNKKMIB-FQUUOJAGSA-N 0 3 359.492 -0.004 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C[C@H](C)S1(=O)=O ZINC000423717633 485123185 /nfs/dbraw/zinc/12/31/85/485123185.db2.gz BESXGACLNKKMIB-IGQOVBAYSA-N 0 3 359.492 -0.004 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C[C@@H](C)S1(=O)=O ZINC000423717634 485123036 /nfs/dbraw/zinc/12/30/36/485123036.db2.gz BESXGACLNKKMIB-REWJHTLYSA-N 0 3 359.492 -0.004 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423718008 485123608 /nfs/dbraw/zinc/12/36/08/485123608.db2.gz BNYIPXXNXQHRCL-BFHYXJOUSA-N 0 3 374.507 -0.499 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000423718009 485123790 /nfs/dbraw/zinc/12/37/90/485123790.db2.gz BNYIPXXNXQHRCL-MCIONIFRSA-N 0 3 374.507 -0.499 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000423718010 485124808 /nfs/dbraw/zinc/12/48/08/485124808.db2.gz BNYIPXXNXQHRCL-MGPQQGTHSA-N 0 3 374.507 -0.499 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423718011 485124332 /nfs/dbraw/zinc/12/43/32/485124332.db2.gz BNYIPXXNXQHRCL-MJBXVCDLSA-N 0 3 374.507 -0.499 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000423718345 485124482 /nfs/dbraw/zinc/12/44/82/485124482.db2.gz BTNKOCCTKOAOAN-ARFHVFGLSA-N 0 3 373.494 -0.167 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000423718348 485124200 /nfs/dbraw/zinc/12/42/00/485124200.db2.gz BTNKOCCTKOAOAN-BZUAXINKSA-N 0 3 373.494 -0.167 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000423718350 485124642 /nfs/dbraw/zinc/12/46/42/485124642.db2.gz BTNKOCCTKOAOAN-OAGGEKHMSA-N 0 3 373.494 -0.167 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000423718352 485124230 /nfs/dbraw/zinc/12/42/30/485124230.db2.gz BTNKOCCTKOAOAN-XHSDSOJGSA-N 0 3 373.494 -0.167 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000423718487 485125070 /nfs/dbraw/zinc/12/50/70/485125070.db2.gz LDZMWYXADSUNTJ-KBPBESRZSA-N 0 3 367.494 -0.617 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000423718489 485124726 /nfs/dbraw/zinc/12/47/26/485124726.db2.gz LDZMWYXADSUNTJ-KGLIPLIRSA-N 0 3 367.494 -0.617 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423718491 485124517 /nfs/dbraw/zinc/12/45/17/485124517.db2.gz LDZMWYXADSUNTJ-UONOGXRCSA-N 0 3 367.494 -0.617 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000423718493 485125032 /nfs/dbraw/zinc/12/50/32/485125032.db2.gz LDZMWYXADSUNTJ-ZIAGYGMSSA-N 0 3 367.494 -0.617 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)[C@@H]1CN ZINC000423719780 485124281 /nfs/dbraw/zinc/12/42/81/485124281.db2.gz CZOFGWJVEYJTAS-GDBMZVCRSA-N 0 3 373.457 -0.048 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)[C@@H]1CN ZINC000423719781 485124259 /nfs/dbraw/zinc/12/42/59/485124259.db2.gz CZOFGWJVEYJTAS-GOEBONIOSA-N 0 3 373.457 -0.048 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)[C@H]1CN ZINC000423719782 485124943 /nfs/dbraw/zinc/12/49/43/485124943.db2.gz CZOFGWJVEYJTAS-HOCLYGCPSA-N 0 3 373.457 -0.048 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)[C@H]1CN ZINC000423719783 485124579 /nfs/dbraw/zinc/12/45/79/485124579.db2.gz CZOFGWJVEYJTAS-ZBFHGGJFSA-N 0 3 373.457 -0.048 20 0 FBADHN CCN(CC)CCN(C(=O)CCOC1CNC1)[C@H]1CCS(=O)(=O)C1 ZINC000423720464 485124548 /nfs/dbraw/zinc/12/45/48/485124548.db2.gz DAIJYRNKBJTUCV-AWEZNQCLSA-N 0 3 361.508 -0.278 20 0 FBADHN CCN(CC)CCN(C(=O)CCOC1CNC1)[C@@H]1CCS(=O)(=O)C1 ZINC000423720472 485125059 /nfs/dbraw/zinc/12/50/59/485125059.db2.gz DAIJYRNKBJTUCV-CQSZACIVSA-N 0 3 361.508 -0.278 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000423720524 485125045 /nfs/dbraw/zinc/12/50/45/485125045.db2.gz NYHUCCOGAVGLNG-GFCCVEGCSA-N 0 3 368.400 -0.095 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000423720535 485124861 /nfs/dbraw/zinc/12/48/61/485124861.db2.gz NYHUCCOGAVGLNG-LBPRGKRZSA-N 0 3 368.400 -0.095 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000423720736 485124603 /nfs/dbraw/zinc/12/46/03/485124603.db2.gz ODHKBDSSNFHHPY-CABCVRRESA-N 0 3 354.495 -0.110 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000423720738 485124776 /nfs/dbraw/zinc/12/47/76/485124776.db2.gz ODHKBDSSNFHHPY-GJZGRUSLSA-N 0 3 354.495 -0.110 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000423720932 485124499 /nfs/dbraw/zinc/12/44/99/485124499.db2.gz ODHKBDSSNFHHPY-HUUCEWRRSA-N 0 3 354.495 -0.110 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000423720935 485124183 /nfs/dbraw/zinc/12/41/83/485124183.db2.gz ODHKBDSSNFHHPY-LSDHHAIUSA-N 0 3 354.495 -0.110 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC2)cc1 ZINC000423721001 485124310 /nfs/dbraw/zinc/12/43/10/485124310.db2.gz OHPODHWMYSFKOY-CYBMUJFWSA-N 0 3 362.430 -0.215 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC2)cc1 ZINC000423721003 485124745 /nfs/dbraw/zinc/12/47/45/485124745.db2.gz OHPODHWMYSFKOY-ZDUSSCGKSA-N 0 3 362.430 -0.215 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)[C@@H]1CN ZINC000423721840 485124615 /nfs/dbraw/zinc/12/46/15/485124615.db2.gz FLEDXDPLGGPQQR-HZSPNIEDSA-N 0 3 374.507 -0.545 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)[C@H]1CN ZINC000423721841 485124471 /nfs/dbraw/zinc/12/44/71/485124471.db2.gz FLEDXDPLGGPQQR-MCIONIFRSA-N 0 3 374.507 -0.545 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)[C@@H]1CN ZINC000423721842 485124915 /nfs/dbraw/zinc/12/49/15/485124915.db2.gz FLEDXDPLGGPQQR-MGPQQGTHSA-N 0 3 374.507 -0.545 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)[C@H]1CN ZINC000423721843 485124979 /nfs/dbraw/zinc/12/49/79/485124979.db2.gz FLEDXDPLGGPQQR-RDBSUJKOSA-N 0 3 374.507 -0.545 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000423722308 485124817 /nfs/dbraw/zinc/12/48/17/485124817.db2.gz FPDUIHBIVQBBRC-CABCVRRESA-N 0 3 367.494 -0.759 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000423722309 485124716 /nfs/dbraw/zinc/12/47/16/485124716.db2.gz FPDUIHBIVQBBRC-GJZGRUSLSA-N 0 3 367.494 -0.759 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000423722313 485124737 /nfs/dbraw/zinc/12/47/37/485124737.db2.gz FPDUIHBIVQBBRC-HUUCEWRRSA-N 0 3 367.494 -0.759 20 0 FBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000423722317 485124454 /nfs/dbraw/zinc/12/44/54/485124454.db2.gz FPDUIHBIVQBBRC-LSDHHAIUSA-N 0 3 367.494 -0.759 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423722824 485124441 /nfs/dbraw/zinc/12/44/41/485124441.db2.gz FYSHCGAIEOGWCK-AHIWAGSCSA-N 0 3 355.435 -0.390 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423722826 485124220 /nfs/dbraw/zinc/12/42/20/485124220.db2.gz FYSHCGAIEOGWCK-DCGLDWPTSA-N 0 3 355.435 -0.390 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000423722827 485124930 /nfs/dbraw/zinc/12/49/30/485124930.db2.gz FYSHCGAIEOGWCK-IGCXYCKISA-N 0 3 355.435 -0.390 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000423722828 485124159 /nfs/dbraw/zinc/12/41/59/485124159.db2.gz FYSHCGAIEOGWCK-XNJGSVPQSA-N 0 3 355.435 -0.390 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000423723451 485124430 /nfs/dbraw/zinc/12/44/30/485124430.db2.gz GLPDLCDYGUOHEL-KFWWJZLASA-N 0 3 368.478 -0.332 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000423723452 485125065 /nfs/dbraw/zinc/12/50/65/485125065.db2.gz GLPDLCDYGUOHEL-RBSFLKMASA-N 0 3 368.478 -0.332 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000423723453 485124662 /nfs/dbraw/zinc/12/46/62/485124662.db2.gz GLPDLCDYGUOHEL-RRFJBIMHSA-N 0 3 368.478 -0.332 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000423723454 485124756 /nfs/dbraw/zinc/12/47/56/485124756.db2.gz GLPDLCDYGUOHEL-ZNMIVQPWSA-N 0 3 368.478 -0.332 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)[C@H]1CN ZINC000423723455 485124872 /nfs/dbraw/zinc/12/48/72/485124872.db2.gz GLPJKRHEBNMGEW-BNOWGMLFSA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)[C@@H]1CN ZINC000423723456 485124988 /nfs/dbraw/zinc/12/49/88/485124988.db2.gz GLPJKRHEBNMGEW-KWCYVHTRSA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)[C@@H]1CN ZINC000423723457 485124845 /nfs/dbraw/zinc/12/48/45/485124845.db2.gz GLPJKRHEBNMGEW-MRVWCRGKSA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)[C@H]1CN ZINC000423723458 485124243 /nfs/dbraw/zinc/12/42/43/485124243.db2.gz GLPJKRHEBNMGEW-XBFCOCLRSA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000423723629 485124297 /nfs/dbraw/zinc/12/42/97/485124297.db2.gz QSWUPDLNKJXCQZ-GFCCVEGCSA-N 0 3 350.394 -0.198 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000423723632 485124704 /nfs/dbraw/zinc/12/47/04/485124704.db2.gz QSWUPDLNKJXCQZ-LBPRGKRZSA-N 0 3 350.394 -0.198 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)[C@H]1CN ZINC000423724469 485125976 /nfs/dbraw/zinc/12/59/76/485125976.db2.gz HGYKQXMCGICUFT-ILXRZTDVSA-N 0 3 354.495 -0.124 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)[C@H]1CN ZINC000423724471 485125622 /nfs/dbraw/zinc/12/56/22/485125622.db2.gz HGYKQXMCGICUFT-KFWWJZLASA-N 0 3 354.495 -0.124 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)[C@@H]1CN ZINC000423724958 485126101 /nfs/dbraw/zinc/12/61/01/485126101.db2.gz HGYKQXMCGICUFT-QLFBSQMISA-N 0 3 354.495 -0.124 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)[C@@H]1CN ZINC000423724962 485125928 /nfs/dbraw/zinc/12/59/28/485125928.db2.gz HGYKQXMCGICUFT-RBSFLKMASA-N 0 3 354.495 -0.124 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)[C@@H]1CN ZINC000423726595 485126118 /nfs/dbraw/zinc/12/61/18/485126118.db2.gz IMQBUNYAKKGUNN-HZSPNIEDSA-N 0 3 353.467 -0.166 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)[C@H]1CN ZINC000423726597 485125716 /nfs/dbraw/zinc/12/57/16/485125716.db2.gz IMQBUNYAKKGUNN-MCIONIFRSA-N 0 3 353.467 -0.166 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)[C@@H]1CN ZINC000423726599 485125596 /nfs/dbraw/zinc/12/55/96/485125596.db2.gz IMQBUNYAKKGUNN-MGPQQGTHSA-N 0 3 353.467 -0.166 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)[C@H]1CN ZINC000423726601 485125842 /nfs/dbraw/zinc/12/58/42/485125842.db2.gz IMQBUNYAKKGUNN-RDBSUJKOSA-N 0 3 353.467 -0.166 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000423726823 485125399 /nfs/dbraw/zinc/12/53/99/485125399.db2.gz KKKXNORLYRZJQG-KBPBESRZSA-N 0 3 354.838 -0.016 20 0 FBADHN CO[C@H](CN)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000423726850 485125851 /nfs/dbraw/zinc/12/58/51/485125851.db2.gz KKKXNORLYRZJQG-KGLIPLIRSA-N 0 3 354.838 -0.016 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000423726852 485125804 /nfs/dbraw/zinc/12/58/04/485125804.db2.gz KKKXNORLYRZJQG-UONOGXRCSA-N 0 3 354.838 -0.016 20 0 FBADHN CO[C@H](CN)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000423726854 485125514 /nfs/dbraw/zinc/12/55/14/485125514.db2.gz KKKXNORLYRZJQG-ZIAGYGMSSA-N 0 3 354.838 -0.016 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423727052 485125955 /nfs/dbraw/zinc/12/59/55/485125955.db2.gz UXAAEMQDPHZUOL-GXTWGEPZSA-N 0 3 374.507 -0.355 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423727056 485125874 /nfs/dbraw/zinc/12/58/74/485125874.db2.gz UXAAEMQDPHZUOL-JSGCOSHPSA-N 0 3 374.507 -0.355 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423727058 485125289 /nfs/dbraw/zinc/12/52/89/485125289.db2.gz UXAAEMQDPHZUOL-OCCSQVGLSA-N 0 3 374.507 -0.355 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423727059 485125633 /nfs/dbraw/zinc/12/56/33/485125633.db2.gz UXAAEMQDPHZUOL-TZMCWYRMSA-N 0 3 374.507 -0.355 20 0 FBADHN COc1cccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC2)c1 ZINC000423730328 485127137 /nfs/dbraw/zinc/12/71/37/485127137.db2.gz XTYARABFLINPLF-CYBMUJFWSA-N 0 3 362.430 -0.215 20 0 FBADHN COc1cccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC2)c1 ZINC000423730329 485127220 /nfs/dbraw/zinc/12/72/20/485127220.db2.gz XTYARABFLINPLF-ZDUSSCGKSA-N 0 3 362.430 -0.215 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3nccn3C)CC2)[C@H]1CN ZINC000423730759 485127155 /nfs/dbraw/zinc/12/71/55/485127155.db2.gz LOVNCJQLDFYZDK-CABCVRRESA-N 0 3 362.478 -0.350 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3nccn3C)CC2)[C@H]1CN ZINC000423730765 485127184 /nfs/dbraw/zinc/12/71/84/485127184.db2.gz LOVNCJQLDFYZDK-GJZGRUSLSA-N 0 3 362.478 -0.350 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3nccn3C)CC2)[C@@H]1CN ZINC000423730768 485127031 /nfs/dbraw/zinc/12/70/31/485127031.db2.gz LOVNCJQLDFYZDK-HUUCEWRRSA-N 0 3 362.478 -0.350 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3nccn3C)CC2)[C@@H]1CN ZINC000423730773 485127052 /nfs/dbraw/zinc/12/70/52/485127052.db2.gz LOVNCJQLDFYZDK-LSDHHAIUSA-N 0 3 362.478 -0.350 20 0 FBADHN COCCNCC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000423732050 484506014 /nfs/dbraw/zinc/50/60/14/484506014.db2.gz OMYPYTTWTWHEPH-UHFFFAOYSA-N 0 3 358.446 0.092 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000423732581 485126845 /nfs/dbraw/zinc/12/68/45/485126845.db2.gz MRWFVOOHPCNLNK-JHJVBQTASA-N 0 3 360.480 -0.888 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000423732582 485126796 /nfs/dbraw/zinc/12/67/96/485126796.db2.gz MRWFVOOHPCNLNK-UPJWGTAASA-N 0 3 360.480 -0.888 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423732584 485127117 /nfs/dbraw/zinc/12/71/17/485127117.db2.gz MRWFVOOHPCNLNK-XQQFMLRXSA-N 0 3 360.480 -0.888 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423732585 485126997 /nfs/dbraw/zinc/12/69/97/485126997.db2.gz MRWFVOOHPCNLNK-YNEHKIRRSA-N 0 3 360.480 -0.888 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC12COC2 ZINC000423733118 485127482 /nfs/dbraw/zinc/12/74/82/485127482.db2.gz NFTYXDHRMYDUBA-HZSPNIEDSA-N 0 3 367.446 -0.390 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC12COC2 ZINC000423733119 485127454 /nfs/dbraw/zinc/12/74/54/485127454.db2.gz NFTYXDHRMYDUBA-IHRRRGAJSA-N 0 3 367.446 -0.390 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC12COC2 ZINC000423733120 485127073 /nfs/dbraw/zinc/12/70/73/485127073.db2.gz NFTYXDHRMYDUBA-MELADBBJSA-N 0 3 367.446 -0.390 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC12COC2 ZINC000423733121 485126673 /nfs/dbraw/zinc/12/66/73/485126673.db2.gz NFTYXDHRMYDUBA-RDBSUJKOSA-N 0 3 367.446 -0.390 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@H]1CN ZINC000423733429 485127310 /nfs/dbraw/zinc/12/73/10/485127310.db2.gz NNQOFIKBPJOBKQ-CABCVRRESA-N 0 3 367.494 -0.805 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@H]1CN ZINC000423733430 485127146 /nfs/dbraw/zinc/12/71/46/485127146.db2.gz NNQOFIKBPJOBKQ-GJZGRUSLSA-N 0 3 367.494 -0.805 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@@H]1CN ZINC000423733431 485127112 /nfs/dbraw/zinc/12/71/12/485127112.db2.gz NNQOFIKBPJOBKQ-HUUCEWRRSA-N 0 3 367.494 -0.805 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@@H]1CN ZINC000423733433 485127089 /nfs/dbraw/zinc/12/70/89/485127089.db2.gz NNQOFIKBPJOBKQ-LSDHHAIUSA-N 0 3 367.494 -0.805 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000423733496 485126894 /nfs/dbraw/zinc/12/68/94/485126894.db2.gz NSWBZBCTTIWQAJ-CHWSQXEVSA-N 0 3 360.480 -0.934 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000423733497 485126717 /nfs/dbraw/zinc/12/67/17/485126717.db2.gz NSWBZBCTTIWQAJ-OLZOCXBDSA-N 0 3 360.480 -0.934 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000423733498 485127207 /nfs/dbraw/zinc/12/72/07/485127207.db2.gz NSWBZBCTTIWQAJ-QWHCGFSZSA-N 0 3 360.480 -0.934 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000423733499 485127367 /nfs/dbraw/zinc/12/73/67/485127367.db2.gz NSWBZBCTTIWQAJ-STQMWFEESA-N 0 3 360.480 -0.934 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)[C@@H]1CN ZINC000423733791 485126909 /nfs/dbraw/zinc/12/69/09/485126909.db2.gz ODJRHMQXBPWIJU-HZSPNIEDSA-N 0 3 359.492 -0.145 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)[C@H]1CN ZINC000423733793 485127343 /nfs/dbraw/zinc/12/73/43/485127343.db2.gz ODJRHMQXBPWIJU-MCIONIFRSA-N 0 3 359.492 -0.145 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)[C@@H]1CN ZINC000423733795 485127237 /nfs/dbraw/zinc/12/72/37/485127237.db2.gz ODJRHMQXBPWIJU-MGPQQGTHSA-N 0 3 359.492 -0.145 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)[C@H]1CN ZINC000423733797 485127214 /nfs/dbraw/zinc/12/72/14/485127214.db2.gz ODJRHMQXBPWIJU-RDBSUJKOSA-N 0 3 359.492 -0.145 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@@H]1CN ZINC000423734446 485127228 /nfs/dbraw/zinc/12/72/28/485127228.db2.gz OSGJZCIABYJRLR-GHMZBOCLSA-N 0 3 364.368 -0.195 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@H]1CN ZINC000423734450 485127069 /nfs/dbraw/zinc/12/70/69/485127069.db2.gz OSGJZCIABYJRLR-MNOVXSKESA-N 0 3 364.368 -0.195 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@H]1CN ZINC000423734453 485127412 /nfs/dbraw/zinc/12/74/12/485127412.db2.gz OSGJZCIABYJRLR-QWRGUYRKSA-N 0 3 364.368 -0.195 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@@H]1CN ZINC000423734458 485128308 /nfs/dbraw/zinc/12/83/08/485128308.db2.gz OSGJZCIABYJRLR-WDEREUQCSA-N 0 3 364.368 -0.195 20 0 FBADHN CC(C)N1C(=O)N[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3CN)CC[C@H]21 ZINC000423739046 485128660 /nfs/dbraw/zinc/12/86/60/485128660.db2.gz QYFSZNHGXSDZFZ-BARDWOONSA-N 0 3 365.478 -0.025 20 0 FBADHN CC(C)N1C(=O)N[C@H]2CN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3CN)CC[C@H]21 ZINC000423739048 485128690 /nfs/dbraw/zinc/12/86/90/485128690.db2.gz QYFSZNHGXSDZFZ-BYNSBNAKSA-N 0 3 365.478 -0.025 20 0 FBADHN CC(C)N1C(=O)N[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3CN)CC[C@H]21 ZINC000423739049 485128699 /nfs/dbraw/zinc/12/86/99/485128699.db2.gz QYFSZNHGXSDZFZ-LXTVHRRPSA-N 0 3 365.478 -0.025 20 0 FBADHN CC(C)N1C(=O)N[C@H]2CN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3CN)CC[C@H]21 ZINC000423739051 485128951 /nfs/dbraw/zinc/12/89/51/485128951.db2.gz QYFSZNHGXSDZFZ-XQLPTFJDSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)[C@@H]1CN ZINC000423739173 485128237 /nfs/dbraw/zinc/12/82/37/485128237.db2.gz RCVXODAYZCIOLS-GXTWGEPZSA-N 0 3 364.425 -0.150 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)[C@H]1CN ZINC000423739579 485128905 /nfs/dbraw/zinc/12/89/05/485128905.db2.gz RCVXODAYZCIOLS-JSGCOSHPSA-N 0 3 364.425 -0.150 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)[C@H]1CN ZINC000423739580 485128111 /nfs/dbraw/zinc/12/81/11/485128111.db2.gz RCVXODAYZCIOLS-OCCSQVGLSA-N 0 3 364.425 -0.150 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)[C@@H]1CN ZINC000423739581 485128775 /nfs/dbraw/zinc/12/87/75/485128775.db2.gz RCVXODAYZCIOLS-TZMCWYRMSA-N 0 3 364.425 -0.150 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H]1CN ZINC000423739586 485128866 /nfs/dbraw/zinc/12/88/66/485128866.db2.gz RCZIVBQAAKRPMG-ILXRZTDVSA-N 0 3 366.462 -0.578 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H]1CN ZINC000423739587 485128855 /nfs/dbraw/zinc/12/88/55/485128855.db2.gz RCZIVBQAAKRPMG-KFWWJZLASA-N 0 3 366.462 -0.578 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H]1CN ZINC000423739588 485128252 /nfs/dbraw/zinc/12/82/52/485128252.db2.gz RCZIVBQAAKRPMG-QLFBSQMISA-N 0 3 366.462 -0.578 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H]1CN ZINC000423739589 485128935 /nfs/dbraw/zinc/12/89/35/485128935.db2.gz RCZIVBQAAKRPMG-RBSFLKMASA-N 0 3 366.462 -0.578 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000423739873 485128896 /nfs/dbraw/zinc/12/88/96/485128896.db2.gz IMMBANVTICKWSB-INIZCTEOSA-N 0 3 353.511 -0.317 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000423739875 485128461 /nfs/dbraw/zinc/12/84/61/485128461.db2.gz IMMBANVTICKWSB-MRXNPFEDSA-N 0 3 353.511 -0.317 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3CN)CC2)n1 ZINC000423740715 485127901 /nfs/dbraw/zinc/12/79/01/485127901.db2.gz SEKGNYPKLIOSRD-GXTWGEPZSA-N 0 3 364.450 -0.392 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3CN)CC2)n1 ZINC000423740718 485128122 /nfs/dbraw/zinc/12/81/22/485128122.db2.gz SEKGNYPKLIOSRD-JSGCOSHPSA-N 0 3 364.450 -0.392 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3CN)CC2)n1 ZINC000423740721 485128483 /nfs/dbraw/zinc/12/84/83/485128483.db2.gz SEKGNYPKLIOSRD-OCCSQVGLSA-N 0 3 364.450 -0.392 20 0 FBADHN Cc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3CN)CC2)n1 ZINC000423740723 485128214 /nfs/dbraw/zinc/12/82/14/485128214.db2.gz SEKGNYPKLIOSRD-TZMCWYRMSA-N 0 3 364.450 -0.392 20 0 FBADHN CN(CCC(N)=O)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](N)C1 ZINC000423741590 485128944 /nfs/dbraw/zinc/12/89/44/485128944.db2.gz YEPNVWQTDATUPO-KGLIPLIRSA-N 0 3 350.394 -0.197 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@H]1CN ZINC000423742197 485119490 /nfs/dbraw/zinc/11/94/90/485119490.db2.gz UIHITULJUKYRPP-AGIUHOORSA-N 0 3 360.480 -0.936 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@H]1CN ZINC000423742207 485119475 /nfs/dbraw/zinc/11/94/75/485119475.db2.gz UIHITULJUKYRPP-AVGNSLFASA-N 0 3 360.480 -0.936 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@@H]1CN ZINC000423742214 485121153 /nfs/dbraw/zinc/12/11/53/485121153.db2.gz UIHITULJUKYRPP-FRRDWIJNSA-N 0 3 360.480 -0.936 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[C@@H]1CN ZINC000423742219 485120296 /nfs/dbraw/zinc/12/02/96/485120296.db2.gz UIHITULJUKYRPP-RWMBFGLXSA-N 0 3 360.480 -0.936 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000423744780 485128268 /nfs/dbraw/zinc/12/82/68/485128268.db2.gz NDVGICWVYSNZJH-DLBZAZTESA-N 0 3 365.522 -0.175 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000423744783 485128762 /nfs/dbraw/zinc/12/87/62/485128762.db2.gz NDVGICWVYSNZJH-IAGOWNOFSA-N 0 3 365.522 -0.175 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000423744785 485127883 /nfs/dbraw/zinc/12/78/83/485127883.db2.gz NDVGICWVYSNZJH-IRXDYDNUSA-N 0 3 365.522 -0.175 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000423744787 485128293 /nfs/dbraw/zinc/12/82/93/485128293.db2.gz NDVGICWVYSNZJH-SJORKVTESA-N 0 3 365.522 -0.175 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[C@@H]1CN ZINC000423745176 484522866 /nfs/dbraw/zinc/52/28/66/484522866.db2.gz XCDAWBOULOTSMH-GHMZBOCLSA-N 0 3 367.479 -0.645 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[C@H]1CN ZINC000423745177 484522761 /nfs/dbraw/zinc/52/27/61/484522761.db2.gz XCDAWBOULOTSMH-MNOVXSKESA-N 0 3 367.479 -0.645 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[C@H]1CN ZINC000423745178 484536163 /nfs/dbraw/zinc/53/61/63/484536163.db2.gz XCDAWBOULOTSMH-QWRGUYRKSA-N 0 3 367.479 -0.645 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[C@@H]1CN ZINC000423745179 484536399 /nfs/dbraw/zinc/53/63/99/484536399.db2.gz XCDAWBOULOTSMH-WDEREUQCSA-N 0 3 367.479 -0.645 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000423745644 485128407 /nfs/dbraw/zinc/12/84/07/485128407.db2.gz XIBIJZICIJGGQB-KBPBESRZSA-N 0 3 368.478 -0.332 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000423745645 485128534 /nfs/dbraw/zinc/12/85/34/485128534.db2.gz XIBIJZICIJGGQB-KGLIPLIRSA-N 0 3 368.478 -0.332 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000423745646 485128367 /nfs/dbraw/zinc/12/83/67/485128367.db2.gz XIBIJZICIJGGQB-UONOGXRCSA-N 0 3 368.478 -0.332 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000423745647 485127946 /nfs/dbraw/zinc/12/79/46/485127946.db2.gz XIBIJZICIJGGQB-ZIAGYGMSSA-N 0 3 368.478 -0.332 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)[C@@H]1CN ZINC000423745671 485128098 /nfs/dbraw/zinc/12/80/98/485128098.db2.gz XJLWHRDIERGHDA-GXTWGEPZSA-N 0 3 362.434 -0.819 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)[C@H]1CN ZINC000423745672 485128877 /nfs/dbraw/zinc/12/88/77/485128877.db2.gz XJLWHRDIERGHDA-JSGCOSHPSA-N 0 3 362.434 -0.819 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)[C@H]1CN ZINC000423745673 485128224 /nfs/dbraw/zinc/12/82/24/485128224.db2.gz XJLWHRDIERGHDA-OCCSQVGLSA-N 0 3 362.434 -0.819 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)[C@@H]1CN ZINC000423745674 485128317 /nfs/dbraw/zinc/12/83/17/485128317.db2.gz XJLWHRDIERGHDA-TZMCWYRMSA-N 0 3 362.434 -0.819 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)[C@@H]1CN ZINC000423746225 485128380 /nfs/dbraw/zinc/12/83/80/485128380.db2.gz XTTQDJKDHAUWSZ-BZUAXINKSA-N 0 3 352.479 -0.247 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)[C@H]1CN ZINC000423746227 485128339 /nfs/dbraw/zinc/12/83/39/485128339.db2.gz XTTQDJKDHAUWSZ-OAGGEKHMSA-N 0 3 352.479 -0.247 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)[C@@H]1CN ZINC000423746229 485128583 /nfs/dbraw/zinc/12/85/83/485128583.db2.gz XTTQDJKDHAUWSZ-OWCLPIDISA-N 0 3 352.479 -0.247 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)[C@H]1CN ZINC000423746231 485128451 /nfs/dbraw/zinc/12/84/51/485128451.db2.gz XTTQDJKDHAUWSZ-PMPSAXMXSA-N 0 3 352.479 -0.247 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@@H]1CN ZINC000423747500 485128495 /nfs/dbraw/zinc/12/84/95/485128495.db2.gz YZUYATNMGDGAPM-GDBMZVCRSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@@H]1CN ZINC000423747502 485128357 /nfs/dbraw/zinc/12/83/57/485128357.db2.gz YZUYATNMGDGAPM-GOEBONIOSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@H]1CN ZINC000423747504 485128556 /nfs/dbraw/zinc/12/85/56/485128556.db2.gz YZUYATNMGDGAPM-HOCLYGCPSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)[C@H]1CN ZINC000423747506 485128515 /nfs/dbraw/zinc/12/85/15/485128515.db2.gz YZUYATNMGDGAPM-ZBFHGGJFSA-N 0 3 352.479 -0.105 20 0 FBADHN NC(C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000423760102 485129705 /nfs/dbraw/zinc/12/97/05/485129705.db2.gz IWLHWFHFDAEDFD-NXEZZACHSA-N 0 3 359.370 -0.471 20 0 FBADHN NC(C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000423760103 485129517 /nfs/dbraw/zinc/12/95/17/485129517.db2.gz IWLHWFHFDAEDFD-UWVGGRQHSA-N 0 3 359.370 -0.471 20 0 FBADHN NC(C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000423760104 485129445 /nfs/dbraw/zinc/12/94/45/485129445.db2.gz IWLHWFHFDAEDFD-VHSXEESVSA-N 0 3 359.370 -0.471 20 0 FBADHN NC(C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000423760105 485129553 /nfs/dbraw/zinc/12/95/53/485129553.db2.gz IWLHWFHFDAEDFD-ZJUUUORDSA-N 0 3 359.370 -0.471 20 0 FBADHN C[C@@]1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCCCN1 ZINC000423767575 485129504 /nfs/dbraw/zinc/12/95/04/485129504.db2.gz WFZDFOJNCLSDQI-KRWDZBQOSA-N 0 3 350.419 -0.662 20 0 FBADHN C[C@]1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCCCN1 ZINC000423767578 485130035 /nfs/dbraw/zinc/13/00/35/485130035.db2.gz WFZDFOJNCLSDQI-QGZVFWFLSA-N 0 3 350.419 -0.662 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cn1C ZINC000423817283 485129748 /nfs/dbraw/zinc/12/97/48/485129748.db2.gz BOURZNUQEDVOHS-CYBMUJFWSA-N 0 3 357.480 -0.065 20 0 FBADHN O=C(CCOC1CNC1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423823414 485129566 /nfs/dbraw/zinc/12/95/66/485129566.db2.gz KZOZHCCJEDXOKT-KRWDZBQOSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(CCOC1CNC1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423823418 485129391 /nfs/dbraw/zinc/12/93/91/485129391.db2.gz KZOZHCCJEDXOKT-QGZVFWFLSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(C[C@H]1CNCCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423824186 485129690 /nfs/dbraw/zinc/12/96/90/485129690.db2.gz LZJNBYQQHHXSQS-DLBZAZTESA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423824188 485130095 /nfs/dbraw/zinc/13/00/95/485130095.db2.gz LZJNBYQQHHXSQS-IAGOWNOFSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(C[C@H]1CNCCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423824190 485129486 /nfs/dbraw/zinc/12/94/86/485129486.db2.gz LZJNBYQQHHXSQS-IRXDYDNUSA-N 0 3 361.442 -0.049 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423824192 485129891 /nfs/dbraw/zinc/12/98/91/485129891.db2.gz LZJNBYQQHHXSQS-SJORKVTESA-N 0 3 361.442 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCN3)CC2)cn1C ZINC000423827469 485129733 /nfs/dbraw/zinc/12/97/33/485129733.db2.gz QGTOODMLLGJRFN-CYBMUJFWSA-N 0 3 355.464 -0.296 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCN3)CC2)cn1C ZINC000423827473 485130143 /nfs/dbraw/zinc/13/01/43/485130143.db2.gz QGTOODMLLGJRFN-ZDUSSCGKSA-N 0 3 355.464 -0.296 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000423846508 485129377 /nfs/dbraw/zinc/12/93/77/485129377.db2.gz PMFUWJNNVYBSHT-HNNXBMFYSA-N 0 3 360.414 -0.160 20 0 FBADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4(N)CC4)CC3)C2=O)n(C)n1 ZINC000423879682 485130885 /nfs/dbraw/zinc/13/08/85/485130885.db2.gz PHIJZYAGMJONCT-AWEZNQCLSA-N 0 3 360.462 -0.141 20 0 FBADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C4(N)CC4)CC3)C2=O)n(C)n1 ZINC000423879683 485130879 /nfs/dbraw/zinc/13/08/79/485130879.db2.gz PHIJZYAGMJONCT-CQSZACIVSA-N 0 3 360.462 -0.141 20 0 FBADHN COCCNCC(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 ZINC000423924874 485131113 /nfs/dbraw/zinc/13/11/13/485131113.db2.gz MRGPRVYGIAXGTH-STQMWFEESA-N 0 3 354.430 -0.188 20 0 FBADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000423927550 485131398 /nfs/dbraw/zinc/13/13/98/485131398.db2.gz IWGPUXWSHJZQMU-WMLDXEAASA-N 0 3 357.451 -0.096 20 0 FBADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000423927551 485130802 /nfs/dbraw/zinc/13/08/02/485130802.db2.gz IWGPUXWSHJZQMU-YOEHRIQHSA-N 0 3 357.451 -0.096 20 0 FBADHN CO[C@@H](CN)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 ZINC000423929767 485131389 /nfs/dbraw/zinc/13/13/89/485131389.db2.gz UYTUWPLFLNLXCM-AVGNSLFASA-N 0 3 354.430 -0.109 20 0 FBADHN CO[C@H](CN)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 ZINC000423929768 485130829 /nfs/dbraw/zinc/13/08/29/485130829.db2.gz UYTUWPLFLNLXCM-RWMBFGLXSA-N 0 3 354.430 -0.109 20 0 FBADHN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)COC2CNC2)n1 ZINC000423931046 485131030 /nfs/dbraw/zinc/13/10/30/485131030.db2.gz XHOVLTJGWIUKRA-RYUDHWBXSA-N 0 3 352.414 -0.436 20 0 FBADHN O=C(CNC(=O)c1ncccc1[O-])NC1CCC([NH+]2CCNCC2)CC1 ZINC000423954327 485130908 /nfs/dbraw/zinc/13/09/08/485130908.db2.gz RWISLBYMQYIZPA-UHFFFAOYSA-N 0 3 361.446 -0.150 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1C ZINC000423980168 485132133 /nfs/dbraw/zinc/13/21/33/485132133.db2.gz CXPRIVTWFATDJP-IAQYHMDHSA-N 0 3 357.480 -0.160 20 0 FBADHN O=C(CCOC1C[NH2+]C1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423983824 485132429 /nfs/dbraw/zinc/13/24/29/485132429.db2.gz AYFYBADHDKYQEG-UHFFFAOYSA-N 0 3 363.386 -0.262 20 0 FBADHN CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000423985487 485131882 /nfs/dbraw/zinc/13/18/82/485131882.db2.gz DOIJPLPYPGSSKA-AWEZNQCLSA-N 0 3 371.459 -0.142 20 0 FBADHN CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CNCCO2)cc1 ZINC000423985490 485132072 /nfs/dbraw/zinc/13/20/72/485132072.db2.gz DOIJPLPYPGSSKA-CQSZACIVSA-N 0 3 371.459 -0.142 20 0 FBADHN [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)O1 ZINC000423985572 485131937 /nfs/dbraw/zinc/13/19/37/485131937.db2.gz CVQOLXKGKFHBRR-PWSUYJOCSA-N 0 3 363.386 -0.134 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@H]1CNCCO1 ZINC000423991624 485131985 /nfs/dbraw/zinc/13/19/85/485131985.db2.gz MNJVKLROPRHYHK-CYBMUJFWSA-N 0 3 370.475 -0.082 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@@H]1CNCCO1 ZINC000423991627 485132362 /nfs/dbraw/zinc/13/23/62/485132362.db2.gz MNJVKLROPRHYHK-ZDUSSCGKSA-N 0 3 370.475 -0.082 20 0 FBADHN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC[C@@H]1CNCCO1 ZINC000423994731 485131916 /nfs/dbraw/zinc/13/19/16/485131916.db2.gz SXKBBIAUBRJJBQ-JTQLQIEISA-N 0 3 370.369 -0.194 20 0 FBADHN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1CNCCO1 ZINC000423994734 485132222 /nfs/dbraw/zinc/13/22/22/485132222.db2.gz SXKBBIAUBRJJBQ-SNVBAGLBSA-N 0 3 370.369 -0.194 20 0 FBADHN CO[C@H](C[NH3+])CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423996395 485131801 /nfs/dbraw/zinc/13/18/01/485131801.db2.gz NLUUKYWFEZMWRD-JTQLQIEISA-N 0 3 351.375 -0.277 20 0 FBADHN CO[C@@H](C[NH3+])CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423996396 485131866 /nfs/dbraw/zinc/13/18/66/485131866.db2.gz NLUUKYWFEZMWRD-SNVBAGLBSA-N 0 3 351.375 -0.277 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cn1C ZINC000423998106 485132059 /nfs/dbraw/zinc/13/20/59/485132059.db2.gz ALBJMMRNABSEEB-AAEUAGOBSA-N 0 3 357.480 -0.160 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cn1C ZINC000423998107 485131735 /nfs/dbraw/zinc/13/17/35/485131735.db2.gz ALBJMMRNABSEEB-DGCLKSJQSA-N 0 3 357.480 -0.160 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cn1C ZINC000423998108 485132237 /nfs/dbraw/zinc/13/22/37/485132237.db2.gz ALBJMMRNABSEEB-WCQYABFASA-N 0 3 357.480 -0.160 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1C ZINC000423998109 485131831 /nfs/dbraw/zinc/13/18/31/485131831.db2.gz ALBJMMRNABSEEB-YPMHNXCESA-N 0 3 357.480 -0.160 20 0 FBADHN CN(C)c1ccncc1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424038834 485133948 /nfs/dbraw/zinc/13/39/48/485133948.db2.gz JCDYUNOBNRXLFF-UHFFFAOYSA-N 0 3 353.448 -0.793 20 0 FBADHN N[C@@H](CC1CCCCC1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424040042 485133312 /nfs/dbraw/zinc/13/33/12/485133312.db2.gz KWCPIJQBAFXLIL-HNNXBMFYSA-N 0 3 358.508 -0.270 20 0 FBADHN N[C@H](CC1CCCCC1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424040043 485133844 /nfs/dbraw/zinc/13/38/44/485133844.db2.gz KWCPIJQBAFXLIL-OAHLLOKOSA-N 0 3 358.508 -0.270 20 0 FBADHN O=C(C1CCN(C2CC2)CC1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424043581 485133082 /nfs/dbraw/zinc/13/30/82/485133082.db2.gz QYYFUTHOXDCDND-UHFFFAOYSA-N 0 3 356.492 -0.693 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1C ZINC000424055599 485135378 /nfs/dbraw/zinc/13/53/78/485135378.db2.gz BLBRHWXROMGWIL-GVXVVHGQSA-N 0 3 357.480 -0.161 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1C ZINC000424055606 485135215 /nfs/dbraw/zinc/13/52/15/485135215.db2.gz BLBRHWXROMGWIL-LOWVWBTDSA-N 0 3 357.480 -0.161 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1C ZINC000424055608 485134515 /nfs/dbraw/zinc/13/45/15/485134515.db2.gz BLBRHWXROMGWIL-MDZLAQPJSA-N 0 3 357.480 -0.161 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1C ZINC000424055610 485134542 /nfs/dbraw/zinc/13/45/42/485134542.db2.gz BLBRHWXROMGWIL-WZRBSPASSA-N 0 3 357.480 -0.161 20 0 FBADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000424057892 485135302 /nfs/dbraw/zinc/13/53/02/485135302.db2.gz CEJMBTMLYOFBLM-LSDHHAIUSA-N 0 3 353.444 -0.188 20 0 FBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2)c1 ZINC000424064369 485135205 /nfs/dbraw/zinc/13/52/05/485135205.db2.gz JNAXMGZTOXXLID-OLZOCXBDSA-N 0 3 369.443 -0.116 20 0 FBADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000424065984 485135433 /nfs/dbraw/zinc/13/54/33/485135433.db2.gz RDVKADHBEUBGBR-WDEREUQCSA-N 0 3 365.415 -0.551 20 0 FBADHN [NH3+]CC1(O)CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000424067095 485135287 /nfs/dbraw/zinc/13/52/87/485135287.db2.gz ZOVMVGJNALPVTF-UHFFFAOYSA-N 0 3 358.398 -0.430 20 0 FBADHN N[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000424067920 485135421 /nfs/dbraw/zinc/13/54/21/485135421.db2.gz QMJKRHZTBWTXTO-UONOGXRCSA-N 0 3 366.443 -0.142 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)N1C[C@H](N)Cc3ccccc31)c(=O)n2C ZINC000424067984 485134358 /nfs/dbraw/zinc/13/43/58/485134358.db2.gz ABJCDMGWDOEYPB-GFCCVEGCSA-N 0 3 368.397 -0.650 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)N1C[C@@H](N)Cc3ccccc31)c(=O)n2C ZINC000424067987 485134987 /nfs/dbraw/zinc/13/49/87/485134987.db2.gz ABJCDMGWDOEYPB-LBPRGKRZSA-N 0 3 368.397 -0.650 20 0 FBADHN Cn1c2ncn(CC(=O)N3C[C@H](N)Cc4ccccc43)c2c(=O)n(C)c1=O ZINC000424069266 485134776 /nfs/dbraw/zinc/13/47/76/485134776.db2.gz BMMLRWDYKXIVEM-GFCCVEGCSA-N 0 3 368.397 -0.650 20 0 FBADHN Cn1c2ncn(CC(=O)N3C[C@@H](N)Cc4ccccc43)c2c(=O)n(C)c1=O ZINC000424069267 485134886 /nfs/dbraw/zinc/13/48/86/485134886.db2.gz BMMLRWDYKXIVEM-LBPRGKRZSA-N 0 3 368.397 -0.650 20 0 FBADHN Cn1c2c(ccn2CC(=O)N2C[C@H](N)Cc3ccccc32)c(=O)n(C)c1=O ZINC000424072928 485135254 /nfs/dbraw/zinc/13/52/54/485135254.db2.gz GXDBVIXFCKGTNW-CYBMUJFWSA-N 0 3 367.409 -0.045 20 0 FBADHN Cn1c2c(ccn2CC(=O)N2C[C@@H](N)Cc3ccccc32)c(=O)n(C)c1=O ZINC000424072929 485135044 /nfs/dbraw/zinc/13/50/44/485135044.db2.gz GXDBVIXFCKGTNW-ZDUSSCGKSA-N 0 3 367.409 -0.045 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H]([NH3+])Cc3ccccc32)cn1C ZINC000424074352 485134331 /nfs/dbraw/zinc/13/43/31/485134331.db2.gz JXVOUWBTIHFOLI-CYBMUJFWSA-N 0 3 363.443 -0.077 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cn1C ZINC000424074355 485134304 /nfs/dbraw/zinc/13/43/04/485134304.db2.gz JXVOUWBTIHFOLI-ZDUSSCGKSA-N 0 3 363.443 -0.077 20 0 FBADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000424082192 485135845 /nfs/dbraw/zinc/13/58/45/485135845.db2.gz WEKWZUGCJPRKKD-QWHCGFSZSA-N 0 3 367.427 -0.362 20 0 FBADHN CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2)c1 ZINC000424116004 485143801 /nfs/dbraw/zinc/14/38/01/485143801.db2.gz BDAPGEVMQMEFMF-KGLIPLIRSA-N 0 3 351.428 -0.278 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424148050 485155413 /nfs/dbraw/zinc/15/54/13/485155413.db2.gz SXWXSVMWARATRA-KGLIPLIRSA-N 0 3 352.460 -0.414 20 0 FBADHN NC1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCOCC1 ZINC000424180069 485161660 /nfs/dbraw/zinc/16/16/60/485161660.db2.gz NCRBAEZBAHLUSL-CYBMUJFWSA-N 0 3 361.464 -0.853 20 0 FBADHN NC1(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCOCC1 ZINC000424180070 485161922 /nfs/dbraw/zinc/16/19/22/485161922.db2.gz NCRBAEZBAHLUSL-ZDUSSCGKSA-N 0 3 361.464 -0.853 20 0 FBADHN [NH3+]C1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC000424182745 485162499 /nfs/dbraw/zinc/16/24/99/485162499.db2.gz HKUXWEWXWITMJC-UHFFFAOYSA-N 0 3 363.386 -0.133 20 0 FBADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2)c1 ZINC000424198374 485167940 /nfs/dbraw/zinc/16/79/40/485167940.db2.gz XYJFZFJWFUKYHZ-MNOVXSKESA-N 0 3 373.456 -0.285 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)CC1 ZINC000424217518 485168963 /nfs/dbraw/zinc/16/89/63/485168963.db2.gz LZRLVQLJSVVIOU-UHFFFAOYSA-N 0 3 361.508 -0.278 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C[C@H]2N)cn1 ZINC000424221062 485170059 /nfs/dbraw/zinc/17/00/59/485170059.db2.gz ATIZOJFRWLOFRQ-XQQFMLRXSA-N 0 3 357.480 -0.363 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C[C@H]2N)cn1 ZINC000424221069 485170353 /nfs/dbraw/zinc/17/03/53/485170353.db2.gz ATIZOJFRWLOFRQ-YNEHKIRRSA-N 0 3 357.480 -0.363 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000424221388 485170275 /nfs/dbraw/zinc/17/02/75/485170275.db2.gz BQSDFOOXWYPKBA-LSDHHAIUSA-N 0 3 363.443 -0.105 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424221576 485170000 /nfs/dbraw/zinc/17/00/00/485170000.db2.gz CKCRDQNRCRMMIS-UONOGXRCSA-N 0 3 373.479 -0.982 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)n1cccn1 ZINC000424221843 485170260 /nfs/dbraw/zinc/17/02/60/485170260.db2.gz CPBDBZFJAFZBJW-AEGPPILISA-N 0 3 359.434 -0.411 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)n1cccn1 ZINC000424221844 485170169 /nfs/dbraw/zinc/17/01/69/485170169.db2.gz CPBDBZFJAFZBJW-VHDGCEQUSA-N 0 3 359.434 -0.411 20 0 FBADHN CN(CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ncnc2nc[nH]c21 ZINC000424226881 485170309 /nfs/dbraw/zinc/17/03/09/485170309.db2.gz PJUBXMPPYUIYSQ-NWDGAFQWSA-N 0 3 355.406 -0.524 20 0 FBADHN CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424228064 485170291 /nfs/dbraw/zinc/17/02/91/485170291.db2.gz RVAJJTOVGYVJJE-CABNGKKXSA-N 0 3 357.480 -0.363 20 0 FBADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424228065 485170069 /nfs/dbraw/zinc/17/00/69/485170069.db2.gz RVAJJTOVGYVJJE-DEQVHRJGSA-N 0 3 357.480 -0.363 20 0 FBADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424228066 485170038 /nfs/dbraw/zinc/17/00/38/485170038.db2.gz RVAJJTOVGYVJJE-SCUASFONSA-N 0 3 357.480 -0.363 20 0 FBADHN CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424228067 485169789 /nfs/dbraw/zinc/16/97/89/485169789.db2.gz RVAJJTOVGYVJJE-YXCITZCRSA-N 0 3 357.480 -0.363 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CCCS(=O)(=O)N3CCCC3)C[C@H]2N)cn1 ZINC000424229247 485171098 /nfs/dbraw/zinc/17/10/98/485171098.db2.gz WOUAFPVFJBSXOW-LSDHHAIUSA-N 0 3 369.491 -0.121 20 0 FBADHN Cc1cc(CN)cc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000424232093 485171050 /nfs/dbraw/zinc/17/10/50/485171050.db2.gz DAWRNQGVDGBBAP-UHFFFAOYSA-N 0 3 356.386 -0.160 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424241880 485173397 /nfs/dbraw/zinc/17/33/97/485173397.db2.gz QFLYZAYIBZZRNG-LSDHHAIUSA-N 0 3 363.443 -0.105 20 0 FBADHN Cc1cc(CN)cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000424252262 485172745 /nfs/dbraw/zinc/17/27/45/485172745.db2.gz ZDWHTRNPBGZLHG-UHFFFAOYSA-N 0 3 356.386 -0.160 20 0 FBADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424283075 485175242 /nfs/dbraw/zinc/17/52/42/485175242.db2.gz ANQBYYVFQRIKAZ-DVVUODLYSA-N 0 3 362.356 -0.077 20 0 FBADHN Cn1cc([C@@H]2CN(CC(=O)N3CCN(c4cnccn4)CC3)C[C@H]2N)cn1 ZINC000424284571 485174974 /nfs/dbraw/zinc/17/49/74/485174974.db2.gz CPQICZFZRMNADH-JKSUJKDBSA-N 0 3 370.461 -0.715 20 0 FBADHN CC[C@@H](C)[C@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(=O)OC ZINC000424291891 485177095 /nfs/dbraw/zinc/17/70/95/485177095.db2.gz MJIDYSKIZWFJDL-UJDVCPFMSA-N 0 3 351.451 -0.150 20 0 FBADHN CC[C@@H](C)[C@@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(=O)OC ZINC000424291892 485176485 /nfs/dbraw/zinc/17/64/85/485176485.db2.gz MJIDYSKIZWFJDL-UZMCECQYSA-N 0 3 351.451 -0.150 20 0 FBADHN CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(=O)OC ZINC000424291893 485176925 /nfs/dbraw/zinc/17/69/25/485176925.db2.gz MJIDYSKIZWFJDL-YYWXWVFPSA-N 0 3 351.451 -0.150 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(=O)OC ZINC000424291894 485176956 /nfs/dbraw/zinc/17/69/56/485176956.db2.gz MJIDYSKIZWFJDL-ZIEJDFEHSA-N 0 3 351.451 -0.150 20 0 FBADHN CNC(=O)[C@@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccccc1 ZINC000424298669 485176404 /nfs/dbraw/zinc/17/64/04/485176404.db2.gz SBIZXXCJBMKCCN-JZXOWHBKSA-N 0 3 370.457 -0.250 20 0 FBADHN CNC(=O)[C@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccccc1 ZINC000424298671 485176647 /nfs/dbraw/zinc/17/66/47/485176647.db2.gz SBIZXXCJBMKCCN-LZLYRXPVSA-N 0 3 370.457 -0.250 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2c(=O)[n-]c1=O ZINC000424366831 485184868 /nfs/dbraw/zinc/18/48/68/485184868.db2.gz ZTCYSMVCDSRIFR-GHMZBOCLSA-N 0 3 353.404 -0.418 20 0 FBADHN Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(-n4cnnn4)c3)C[C@H]2N)cn1 ZINC000424382967 485186398 /nfs/dbraw/zinc/18/63/98/485186398.db2.gz ABGILHWUNTXSGV-LSDHHAIUSA-N 0 3 374.430 -0.489 20 0 FBADHN CN(C)c1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cn1 ZINC000424383665 485186210 /nfs/dbraw/zinc/18/62/10/485186210.db2.gz AXGVXIFCFACENE-UONOGXRCSA-N 0 3 350.448 -0.004 20 0 FBADHN Cn1cc([C@@H]2CN(S(=O)(=O)c3cnn(CC(F)F)c3)C[C@H]2N)cn1 ZINC000424386197 485187282 /nfs/dbraw/zinc/18/72/82/485187282.db2.gz DOXBULQGNXWBFC-NWDGAFQWSA-N 0 3 360.390 -0.003 20 0 FBADHN CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000424386242 485187467 /nfs/dbraw/zinc/18/74/67/485187467.db2.gz DYJRIMIGZIDXAR-LSDHHAIUSA-N 0 3 363.443 -0.105 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)o1 ZINC000424387622 485187637 /nfs/dbraw/zinc/18/76/37/485187637.db2.gz GGXIENXEVXAXBA-WDEREUQCSA-N 0 3 354.388 -0.085 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c[nH]1 ZINC000424389668 485187493 /nfs/dbraw/zinc/18/74/93/485187493.db2.gz IWQBHTQEBXKFQO-NWDGAFQWSA-N 0 3 353.404 -0.350 20 0 FBADHN COC(=O)c1coc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424390121 485187646 /nfs/dbraw/zinc/18/76/46/485187646.db2.gz JJYMHTRLPRABGK-NWDGAFQWSA-N 0 3 354.388 -0.085 20 0 FBADHN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C[C@H]2N)cn1 ZINC000424391365 485187427 /nfs/dbraw/zinc/18/74/27/485187427.db2.gz MUNQDEKYNCHBOE-LSDHHAIUSA-N 0 3 374.430 -0.489 20 0 FBADHN Cc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1C(N)=O ZINC000424396531 485188548 /nfs/dbraw/zinc/18/85/48/485188548.db2.gz XPUMKXLRIXXMSJ-LSDHHAIUSA-N 0 3 363.443 -0.057 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cn1C ZINC000424396541 485188476 /nfs/dbraw/zinc/18/84/76/485188476.db2.gz XSCMIFMISBIYRS-QWHCGFSZSA-N 0 3 367.431 -0.339 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424412889 484415770 /nfs/dbraw/zinc/41/57/70/484415770.db2.gz BXSIACGOMPAJQS-WCQYABFASA-N 0 3 361.406 0.289 20 0 FBADHN CS(=O)(=O)CCCCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000424420452 485189050 /nfs/dbraw/zinc/18/90/50/485189050.db2.gz VVTHIYTVJVYOTA-UHFFFAOYSA-N 0 3 356.452 -0.168 20 0 FBADHN COc1ncc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1C(N)=O ZINC000424420929 485190381 /nfs/dbraw/zinc/19/03/81/485190381.db2.gz XJWIJVIQWJPRMG-QWHCGFSZSA-N 0 3 359.390 -0.119 20 0 FBADHN Cc1cc(CN)cc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000424423954 485190539 /nfs/dbraw/zinc/19/05/39/485190539.db2.gz HDPRHJADNZTEJC-UHFFFAOYSA-N 0 3 358.406 -0.183 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000424432482 485190658 /nfs/dbraw/zinc/19/06/58/485190658.db2.gz AMBIAGJMJXRKCE-UHFFFAOYSA-N 0 3 373.457 -0.185 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000424433594 485189956 /nfs/dbraw/zinc/18/99/56/485189956.db2.gz CFHRWLBSOJQITD-UHFFFAOYSA-N 0 3 354.432 -0.504 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424435330 485190191 /nfs/dbraw/zinc/19/01/91/485190191.db2.gz FSHJLPSIOGOUSX-UHFFFAOYSA-N 0 3 361.446 -0.327 20 0 FBADHN Cc1cc(CN)cc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000424438225 485190174 /nfs/dbraw/zinc/19/01/74/485190174.db2.gz PMUKRDWGNMIYHW-UHFFFAOYSA-N 0 3 355.464 -0.108 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000424438918 485190411 /nfs/dbraw/zinc/19/04/11/485190411.db2.gz MHPMLVKJRVJNLH-UHFFFAOYSA-N 0 3 361.446 -0.327 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000424441501 485190231 /nfs/dbraw/zinc/19/02/31/485190231.db2.gz AKOPBGLQKNXFNB-INIZCTEOSA-N 0 3 364.446 -0.456 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000424441503 485190484 /nfs/dbraw/zinc/19/04/84/485190484.db2.gz AKOPBGLQKNXFNB-MRXNPFEDSA-N 0 3 364.446 -0.456 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)nn1C(C)C ZINC000424442327 484254656 /nfs/dbraw/zinc/25/46/56/484254656.db2.gz BYVPTCKYNWPYPZ-UONOGXRCSA-N 0 3 359.434 0.398 20 0 FBADHN CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424442446 485190566 /nfs/dbraw/zinc/19/05/66/485190566.db2.gz VKSWIXWVLAMOEU-UHFFFAOYSA-N 0 3 361.446 -0.327 20 0 FBADHN CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424442953 485190143 /nfs/dbraw/zinc/19/01/43/485190143.db2.gz ASGRKBNTHQFAGX-UHFFFAOYSA-N 0 3 368.459 -0.068 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000424444302 485190328 /nfs/dbraw/zinc/19/03/28/485190328.db2.gz ZUAJBYSBBJCHKP-UHFFFAOYSA-N 0 3 368.459 -0.114 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC000424444988 485190257 /nfs/dbraw/zinc/19/02/57/485190257.db2.gz DWJUOKIFZOTCBW-UHFFFAOYSA-N 0 3 361.446 -0.200 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424445351 485190083 /nfs/dbraw/zinc/19/00/83/485190083.db2.gz FDTORBJSOIGSIM-AWEZNQCLSA-N 0 3 368.459 -0.068 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424445353 485190339 /nfs/dbraw/zinc/19/03/39/485190339.db2.gz FDTORBJSOIGSIM-CQSZACIVSA-N 0 3 368.459 -0.068 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424445694 485190310 /nfs/dbraw/zinc/19/03/10/485190310.db2.gz GSRASZVQELCEIT-GFCCVEGCSA-N 0 3 356.448 -0.164 20 0 FBADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424445695 485190153 /nfs/dbraw/zinc/19/01/53/485190153.db2.gz GSRASZVQELCEIT-LBPRGKRZSA-N 0 3 356.448 -0.164 20 0 FBADHN CN(C)c1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cn1 ZINC000424446197 485190034 /nfs/dbraw/zinc/19/00/34/485190034.db2.gz HRGFGYPHVQNMMU-UONOGXRCSA-N 0 3 357.418 -0.227 20 0 FBADHN CCn1nc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1C1CC1 ZINC000424447708 484474760 /nfs/dbraw/zinc/47/47/60/484474760.db2.gz MMZDBCZLZQAXJG-UONOGXRCSA-N 0 3 371.445 0.406 20 0 FBADHN CCCc1cc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n(C)n1 ZINC000424450869 485192275 /nfs/dbraw/zinc/19/22/75/485192275.db2.gz YXTYTYDUWYOAHK-UONOGXRCSA-N 0 3 359.434 -0.002 20 0 FBADHN CC(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n1 ZINC000424451066 484170899 /nfs/dbraw/zinc/17/08/99/484170899.db2.gz ZUEDEMJXYCJUGD-LSDHHAIUSA-N 0 3 373.461 0.555 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000424452407 485192452 /nfs/dbraw/zinc/19/24/52/485192452.db2.gz ILGDNVPMKYDOCR-CQSZACIVSA-N 0 3 368.459 -0.068 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000424452787 485192737 /nfs/dbraw/zinc/19/27/37/485192737.db2.gz JCAAQMJREPRKFA-UHFFFAOYSA-N 0 3 373.413 -0.065 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000424452788 485192877 /nfs/dbraw/zinc/19/28/77/485192877.db2.gz JCRWVKXERLOSAR-CYBMUJFWSA-N 0 3 368.459 -0.068 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000424452789 485192374 /nfs/dbraw/zinc/19/23/74/485192374.db2.gz JCRWVKXERLOSAR-ZDUSSCGKSA-N 0 3 368.459 -0.068 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000424455119 485192367 /nfs/dbraw/zinc/19/23/67/485192367.db2.gz MRURDNIIBVOGKJ-GFCCVEGCSA-N 0 3 354.432 -0.458 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000424455120 485192429 /nfs/dbraw/zinc/19/24/29/485192429.db2.gz MRURDNIIBVOGKJ-LBPRGKRZSA-N 0 3 354.432 -0.458 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424455430 485192325 /nfs/dbraw/zinc/19/23/25/485192325.db2.gz SBXDQASZZNNTFJ-UONOGXRCSA-N 0 3 372.495 -0.472 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424455863 485192952 /nfs/dbraw/zinc/19/29/52/485192952.db2.gz OKXJQRVWOWKTNY-UHFFFAOYSA-N 0 3 356.448 -0.162 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000424455886 485192391 /nfs/dbraw/zinc/19/23/91/485192391.db2.gz OMRMFMADPAJSNO-GOSISDBHSA-N 0 3 364.446 -0.408 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000424455890 485192579 /nfs/dbraw/zinc/19/25/79/485192579.db2.gz OMRMFMADPAJSNO-SFHVURJKSA-N 0 3 364.446 -0.408 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424456363 485192306 /nfs/dbraw/zinc/19/23/06/485192306.db2.gz WMWQRFHWTVDITO-QWHCGFSZSA-N 0 3 358.468 -0.816 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)c1 ZINC000424456627 485192805 /nfs/dbraw/zinc/19/28/05/485192805.db2.gz PXFNFHVKZOAHAR-UHFFFAOYSA-N 0 3 356.448 -0.164 20 0 FBADHN CCN(CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)S(C)(=O)=O ZINC000424457391 485192787 /nfs/dbraw/zinc/19/27/87/485192787.db2.gz ZKFWFCIODVJEOK-UONOGXRCSA-N 0 3 372.495 -0.472 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000424457504 485192523 /nfs/dbraw/zinc/19/25/23/485192523.db2.gz RKMPEYIRWSOWIY-UHFFFAOYSA-N 0 3 354.432 -0.456 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000424457572 485192531 /nfs/dbraw/zinc/19/25/31/485192531.db2.gz RPVFUGJYQPMQJU-LBPRGKRZSA-N 0 3 368.459 -0.115 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424457652 485192345 /nfs/dbraw/zinc/19/23/45/485192345.db2.gz ANIGPEKLBVAMCW-UONOGXRCSA-N 0 3 372.495 -0.472 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424459240 485191602 /nfs/dbraw/zinc/19/16/02/485191602.db2.gz VSQKDDQSLHEDJP-UHFFFAOYSA-N 0 3 368.459 -0.114 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424459478 485191414 /nfs/dbraw/zinc/19/14/14/485191414.db2.gz WRJZFRIKYJPHBN-AWEZNQCLSA-N 0 3 368.459 -0.068 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424459479 485191192 /nfs/dbraw/zinc/19/11/92/485191192.db2.gz WRJZFRIKYJPHBN-CQSZACIVSA-N 0 3 368.459 -0.068 20 0 FBADHN COC(=O)c1cn(CCNC(=O)C(=O)Nc2cc(C)cc(CN)c2)nn1 ZINC000424462756 485191519 /nfs/dbraw/zinc/19/15/19/485191519.db2.gz GDSDFMVRVFBATG-UHFFFAOYSA-N 0 3 360.374 -0.413 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c1 ZINC000424463172 485191765 /nfs/dbraw/zinc/19/17/65/485191765.db2.gz GYGWDTIEMHEQAR-UHFFFAOYSA-N 0 3 371.463 -0.659 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)c1 ZINC000424463541 484362504 /nfs/dbraw/zinc/36/25/04/484362504.db2.gz HMHHASFZMURMML-UHFFFAOYSA-N 0 3 364.446 -0.455 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424464706 485191830 /nfs/dbraw/zinc/19/18/30/485191830.db2.gz IYSYMWLQOHVCOJ-UHFFFAOYSA-N 0 3 368.459 -0.210 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000424465089 485191356 /nfs/dbraw/zinc/19/13/56/485191356.db2.gz JLJYEYPTVRPWCZ-CYBMUJFWSA-N 0 3 354.432 -0.328 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000424465093 485191330 /nfs/dbraw/zinc/19/13/30/485191330.db2.gz JLJYEYPTVRPWCZ-ZDUSSCGKSA-N 0 3 354.432 -0.328 20 0 FBADHN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cc(C)cc(CN)c3)C2)nn1 ZINC000424472322 485192747 /nfs/dbraw/zinc/19/27/47/485192747.db2.gz UWCGGGJUMFYINL-UHFFFAOYSA-N 0 3 372.385 -0.146 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 ZINC000424472674 485192334 /nfs/dbraw/zinc/19/23/34/485192334.db2.gz VHZHQVVOIKHAAV-UHFFFAOYSA-N 0 3 368.459 -0.081 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000424473451 485193722 /nfs/dbraw/zinc/19/37/22/485193722.db2.gz WJYHEBLFUZCWFF-CYBMUJFWSA-N 0 3 354.432 -0.328 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000424473458 485193639 /nfs/dbraw/zinc/19/36/39/485193639.db2.gz WJYHEBLFUZCWFF-ZDUSSCGKSA-N 0 3 354.432 -0.328 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000424474653 485195252 /nfs/dbraw/zinc/19/52/52/485195252.db2.gz YDGOYOYFSWMRIK-AWEZNQCLSA-N 0 3 368.459 -0.115 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000424474657 485194685 /nfs/dbraw/zinc/19/46/85/485194685.db2.gz YDGOYOYFSWMRIK-CQSZACIVSA-N 0 3 368.459 -0.115 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424480653 485196215 /nfs/dbraw/zinc/19/62/15/485196215.db2.gz QILOEBLFHOGJTR-FRRDWIJNSA-N 0 3 358.468 -0.816 20 0 FBADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424480654 485195826 /nfs/dbraw/zinc/19/58/26/485195826.db2.gz QILOEBLFHOGJTR-RWMBFGLXSA-N 0 3 358.468 -0.816 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cn4ccccc4n3)C[C@H]2N)cn1 ZINC000424485144 485197321 /nfs/dbraw/zinc/19/73/21/485197321.db2.gz BRHDILJMHNOKLD-LSDHHAIUSA-N 0 3 367.413 -0.363 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCCN3C3CC3)C[C@H]2N)cn1 ZINC000424486803 485198278 /nfs/dbraw/zinc/19/82/78/485198278.db2.gz ABDUNBFTRNRSOM-IXDOHACOSA-N 0 3 374.489 -0.194 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)C[C@H]2N)cn1 ZINC000424486805 485198052 /nfs/dbraw/zinc/19/80/52/485198052.db2.gz ABDUNBFTRNRSOM-YESZJQIVSA-N 0 3 374.489 -0.194 20 0 FBADHN COc1ccccc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424486847 485198366 /nfs/dbraw/zinc/19/83/66/485198366.db2.gz ADXRJEYCRDPVDA-LSDHHAIUSA-N 0 3 357.414 -0.002 20 0 FBADHN CCCCN(CCCO)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424490762 485200151 /nfs/dbraw/zinc/20/01/51/485200151.db2.gz AMSFWXKDUJTXQI-LSDHHAIUSA-N 0 3 351.451 -0.316 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)[C@@H](CN)C1 ZINC000424490784 485200468 /nfs/dbraw/zinc/20/04/68/485200468.db2.gz ASLNRCFLALNCQN-BFHYXJOUSA-N 0 3 350.423 -0.594 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)[C@H](CN)C1 ZINC000424490785 485200371 /nfs/dbraw/zinc/20/03/71/485200371.db2.gz ASLNRCFLALNCQN-HZSPNIEDSA-N 0 3 350.423 -0.594 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)[C@H](CN)C1 ZINC000424490786 485200743 /nfs/dbraw/zinc/20/07/43/485200743.db2.gz ASLNRCFLALNCQN-MELADBBJSA-N 0 3 350.423 -0.594 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)[C@@H](CN)C1 ZINC000424490787 485200388 /nfs/dbraw/zinc/20/03/88/485200388.db2.gz ASLNRCFLALNCQN-MGPQQGTHSA-N 0 3 350.423 -0.594 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@]3(C)CCCO)C[C@H]2N)cn1 ZINC000424490878 485200671 /nfs/dbraw/zinc/20/06/71/485200671.db2.gz AWELVQCOBMTWPD-DAYGRLMNSA-N 0 3 363.462 -0.173 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@]3(C)CCCO)C[C@H]2N)cn1 ZINC000424490879 485200303 /nfs/dbraw/zinc/20/03/03/485200303.db2.gz AWELVQCOBMTWPD-HDMKZQKVSA-N 0 3 363.462 -0.173 20 0 FBADHN CC[C@H](C)N1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424490923 485200530 /nfs/dbraw/zinc/20/05/30/485200530.db2.gz BBOUMNWGDLDALI-CWRNSKLLSA-N 0 3 362.478 -0.384 20 0 FBADHN CC[C@@H](C)N1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424490925 485200133 /nfs/dbraw/zinc/20/01/33/485200133.db2.gz BBOUMNWGDLDALI-VNQPRFMTSA-N 0 3 362.478 -0.384 20 0 FBADHN CCOCCOCCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424491277 485200330 /nfs/dbraw/zinc/20/03/30/485200330.db2.gz CQXJQDLPFCKUQL-LSDHHAIUSA-N 0 3 367.450 -0.815 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@H](c4ccco4)C3)C[C@H]2N)cn1 ZINC000424491299 485200275 /nfs/dbraw/zinc/20/02/75/485200275.db2.gz CWBUAMNZJOQNNF-LZWOXQAQSA-N 0 3 373.413 -0.134 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)C[C@H]2N)cn1 ZINC000424491300 485200757 /nfs/dbraw/zinc/20/07/57/485200757.db2.gz CWBUAMNZJOQNNF-SQWLQELKSA-N 0 3 373.413 -0.134 20 0 FBADHN COC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424491319 485200431 /nfs/dbraw/zinc/20/04/31/485200431.db2.gz CZVYZSPHAPHDID-CWRNSKLLSA-N 0 3 363.462 -0.052 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424491320 485200641 /nfs/dbraw/zinc/20/06/41/485200641.db2.gz CZVYZSPHAPHDID-VNQPRFMTSA-N 0 3 363.462 -0.052 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCc4ncsc4C3)C[C@H]2N)cn1 ZINC000424491508 485201363 /nfs/dbraw/zinc/20/13/63/485201363.db2.gz DPVSTUYLVLUCLG-NWDGAFQWSA-N 0 3 360.443 -0.285 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2CN)CC1 ZINC000424491673 485201442 /nfs/dbraw/zinc/20/14/42/485201442.db2.gz FEELZWFPPACNGA-CABCVRRESA-N 0 3 370.494 -0.480 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2CN)CC1 ZINC000424491674 485201950 /nfs/dbraw/zinc/20/19/50/485201950.db2.gz FEELZWFPPACNGA-GJZGRUSLSA-N 0 3 370.494 -0.480 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2CN)CC1 ZINC000424491676 485201739 /nfs/dbraw/zinc/20/17/39/485201739.db2.gz FEELZWFPPACNGA-HUUCEWRRSA-N 0 3 370.494 -0.480 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2CN)CC1 ZINC000424491677 485201646 /nfs/dbraw/zinc/20/16/46/485201646.db2.gz FEELZWFPPACNGA-LSDHHAIUSA-N 0 3 370.494 -0.480 20 0 FBADHN COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424491819 485201772 /nfs/dbraw/zinc/20/17/72/485201772.db2.gz FXUSESOJIRHAKL-AHIWAGSCSA-N 0 3 363.418 -0.915 20 0 FBADHN COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424491820 485201896 /nfs/dbraw/zinc/20/18/96/485201896.db2.gz FXUSESOJIRHAKL-OGHNNQOOSA-N 0 3 363.418 -0.915 20 0 FBADHN CC[C@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424491854 485201452 /nfs/dbraw/zinc/20/14/52/485201452.db2.gz GCSGLVAYJCKIKP-DAYGRLMNSA-N 0 3 363.462 -0.316 20 0 FBADHN CC[C@@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424491855 485201316 /nfs/dbraw/zinc/20/13/16/485201316.db2.gz GCSGLVAYJCKIKP-HDMKZQKVSA-N 0 3 363.462 -0.316 20 0 FBADHN COCCCOCCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424492314 485202121 /nfs/dbraw/zinc/20/21/21/485202121.db2.gz HQJJRJYJLIAFEC-LSDHHAIUSA-N 0 3 367.450 -0.815 20 0 FBADHN COCC1(C)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424492454 485201607 /nfs/dbraw/zinc/20/16/07/485201607.db2.gz HZIJIPFLFAYMMW-LSDHHAIUSA-N 0 3 363.462 -0.052 20 0 FBADHN CCC[C@@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424492610 485202185 /nfs/dbraw/zinc/20/21/85/485202185.db2.gz IIIWVIBGJRUBNK-DAYGRLMNSA-N 0 3 363.462 -0.173 20 0 FBADHN CCC[C@]1(CO)CCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424492612 485201822 /nfs/dbraw/zinc/20/18/22/485201822.db2.gz IIIWVIBGJRUBNK-HDMKZQKVSA-N 0 3 363.462 -0.173 20 0 FBADHN CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@@H]1C ZINC000424492913 485200158 /nfs/dbraw/zinc/20/01/58/485200158.db2.gz JHXYKFKWLWCMLB-ARLBYUKCSA-N 0 3 363.462 -0.053 20 0 FBADHN CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@H]1C ZINC000424492917 485200058 /nfs/dbraw/zinc/20/00/58/485200058.db2.gz JHXYKFKWLWCMLB-BVUBDWEXSA-N 0 3 363.462 -0.053 20 0 FBADHN CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@@H]1C ZINC000424493047 485200716 /nfs/dbraw/zinc/20/07/16/485200716.db2.gz JHXYKFKWLWCMLB-HNKHHVNMSA-N 0 3 363.462 -0.053 20 0 FBADHN CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@H]1C ZINC000424493049 485200298 /nfs/dbraw/zinc/20/02/98/485200298.db2.gz JHXYKFKWLWCMLB-SLBVQIDZSA-N 0 3 363.462 -0.053 20 0 FBADHN Cc1cnn([C@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H](N)C3)C2)c1 ZINC000424493101 485200826 /nfs/dbraw/zinc/20/08/26/485200826.db2.gz JNXANLLOIUBTDJ-HRCADAONSA-N 0 3 371.445 -0.348 20 0 FBADHN Cc1cnn([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H](N)C3)C2)c1 ZINC000424493102 485200516 /nfs/dbraw/zinc/20/05/16/485200516.db2.gz JNXANLLOIUBTDJ-OWCLPIDISA-N 0 3 371.445 -0.348 20 0 FBADHN CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424495115 485201795 /nfs/dbraw/zinc/20/17/95/485201795.db2.gz PKVPLOLVFMKYDU-AXFHLTTASA-N 0 3 363.340 -0.945 20 0 FBADHN CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424495118 485201404 /nfs/dbraw/zinc/20/14/04/485201404.db2.gz PKVPLOLVFMKYDU-HBNTYKKESA-N 0 3 363.340 -0.945 20 0 FBADHN COC[C@H]1CCCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424495764 485202696 /nfs/dbraw/zinc/20/26/96/485202696.db2.gz RJYZMFFEKLKOFB-CWRNSKLLSA-N 0 3 363.462 -0.052 20 0 FBADHN COC[C@@H]1CCCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424495769 485203176 /nfs/dbraw/zinc/20/31/76/485203176.db2.gz RJYZMFFEKLKOFB-VNQPRFMTSA-N 0 3 363.462 -0.052 20 0 FBADHN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424495929 485202885 /nfs/dbraw/zinc/20/28/85/485202885.db2.gz RMBOQWFCWGOQGU-QWHCGFSZSA-N 0 3 364.450 -0.954 20 0 FBADHN CCC[C@]1(CO)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424495993 485203087 /nfs/dbraw/zinc/20/30/87/485203087.db2.gz RUBFMQYMGGXUDQ-DAYGRLMNSA-N 0 3 363.462 -0.316 20 0 FBADHN CCC[C@@]1(CO)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424495994 485203312 /nfs/dbraw/zinc/20/33/12/485203312.db2.gz RUBFMQYMGGXUDQ-HDMKZQKVSA-N 0 3 363.462 -0.316 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@]4(CCOC4)C3)C[C@H]2N)cn1 ZINC000424496019 485202873 /nfs/dbraw/zinc/20/28/73/485202873.db2.gz RYQSBSFMSSMCSR-DAYGRLMNSA-N 0 3 361.446 -0.298 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@]4(CCOC4)C3)C[C@H]2N)cn1 ZINC000424496021 485202655 /nfs/dbraw/zinc/20/26/55/485202655.db2.gz RYQSBSFMSSMCSR-HDMKZQKVSA-N 0 3 361.446 -0.298 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(C3)CCCOC4)C[C@H]2N)cn1 ZINC000424496456 485203115 /nfs/dbraw/zinc/20/31/15/485203115.db2.gz TUOKMROOHFWPII-DAYGRLMNSA-N 0 3 361.446 -0.298 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCCOC4)C[C@H]2N)cn1 ZINC000424496458 485202942 /nfs/dbraw/zinc/20/29/42/485202942.db2.gz TUOKMROOHFWPII-HDMKZQKVSA-N 0 3 361.446 -0.298 20 0 FBADHN CC(C)OCCCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424497434 485202733 /nfs/dbraw/zinc/20/27/33/485202733.db2.gz XAZSFIXCDBRINN-LSDHHAIUSA-N 0 3 351.451 -0.053 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@H]1C ZINC000424497771 485203368 /nfs/dbraw/zinc/20/33/68/485203368.db2.gz XVJSBUQIEIRGAL-AHLTXXRQSA-N 0 3 363.418 -0.917 20 0 FBADHN COC(=O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@H]1C ZINC000424497772 485203038 /nfs/dbraw/zinc/20/30/38/485203038.db2.gz XVJSBUQIEIRGAL-DOERSZECSA-N 0 3 363.418 -0.917 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@@H]1C ZINC000424497773 485203379 /nfs/dbraw/zinc/20/33/79/485203379.db2.gz XVJSBUQIEIRGAL-RUZUBIRVSA-N 0 3 363.418 -0.917 20 0 FBADHN COC(=O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@@H]1C ZINC000424497774 485203402 /nfs/dbraw/zinc/20/34/02/485203402.db2.gz XVJSBUQIEIRGAL-VZZFWQQMSA-N 0 3 363.418 -0.917 20 0 FBADHN CC(C)CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424498086 485202931 /nfs/dbraw/zinc/20/29/31/485202931.db2.gz YTECBEWOBUANJR-HRCADAONSA-N 0 3 363.462 -0.053 20 0 FBADHN CC(C)CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424498087 485203417 /nfs/dbraw/zinc/20/34/17/485203417.db2.gz YTECBEWOBUANJR-OWCLPIDISA-N 0 3 363.462 -0.053 20 0 FBADHN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424501017 485204612 /nfs/dbraw/zinc/20/46/12/485204612.db2.gz DRGZZBHBNNIUNT-CAOSSQGBSA-N 0 3 363.462 -0.007 20 0 FBADHN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424501018 485204360 /nfs/dbraw/zinc/20/43/60/485204360.db2.gz DRGZZBHBNNIUNT-JONQDZQNSA-N 0 3 363.462 -0.007 20 0 FBADHN CC(C)[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424501019 485204634 /nfs/dbraw/zinc/20/46/34/485204634.db2.gz DRGZZBHBNNIUNT-QKPAOTATSA-N 0 3 363.462 -0.007 20 0 FBADHN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424501020 485204560 /nfs/dbraw/zinc/20/45/60/485204560.db2.gz DRGZZBHBNNIUNT-QXSJWSMHSA-N 0 3 363.462 -0.007 20 0 FBADHN COCCC(C)(C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424501470 485205035 /nfs/dbraw/zinc/20/50/35/485205035.db2.gz FJWOTAGXPFZWLA-UONOGXRCSA-N 0 3 351.451 -0.148 20 0 FBADHN CC(C)CCOCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424502099 485205557 /nfs/dbraw/zinc/20/55/57/485205557.db2.gz GJPJMHUUSSZGJD-LSDHHAIUSA-N 0 3 351.451 -0.148 20 0 FBADHN Cc1cccc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n1 ZINC000424506765 484356457 /nfs/dbraw/zinc/35/64/57/484356457.db2.gz MJONSACPRUZPKC-JKSUJKDBSA-N 0 3 356.430 -0.264 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]3OC(F)F)C[C@H]2N)cn1 ZINC000424508226 485205286 /nfs/dbraw/zinc/20/52/86/485205286.db2.gz OJZNJUVMVDKZSE-UMSGYPCISA-N 0 3 371.388 -0.050 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCC(C)(C)C(C)(C)O)C[C@H]2N)cn1 ZINC000424509877 485205450 /nfs/dbraw/zinc/20/54/50/485205450.db2.gz QVXWDBYSTQRQIH-QWHCGFSZSA-N 0 3 351.451 -0.414 20 0 FBADHN Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424511287 485205386 /nfs/dbraw/zinc/20/53/86/485205386.db2.gz SWLIPCHEHRNNSR-UHOFOFEASA-N 0 3 373.461 -0.369 20 0 FBADHN Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424511288 485205019 /nfs/dbraw/zinc/20/50/19/485205019.db2.gz SWLIPCHEHRNNSR-VBNZEHGJSA-N 0 3 373.461 -0.369 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOc3ccccc3)C[C@H]2N)cn1 ZINC000424512685 485205410 /nfs/dbraw/zinc/20/54/10/485205410.db2.gz VRKBYVDVGIMIFF-JKSUJKDBSA-N 0 3 357.414 -0.132 20 0 FBADHN CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424513058 485206039 /nfs/dbraw/zinc/20/60/39/485206039.db2.gz WQEUBEUMVZFUOC-FPMFFAJLSA-N 0 3 364.450 -0.906 20 0 FBADHN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424513059 485206691 /nfs/dbraw/zinc/20/66/91/485206691.db2.gz WQEUBEUMVZFUOC-KWCYVHTRSA-N 0 3 364.450 -0.906 20 0 FBADHN C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424513086 485206123 /nfs/dbraw/zinc/20/61/23/485206123.db2.gz WWTYYNQPHOFOAZ-BFJAYTPKSA-N 0 3 363.462 -0.005 20 0 FBADHN C[C@H]1C[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424513087 485206247 /nfs/dbraw/zinc/20/62/47/485206247.db2.gz WWTYYNQPHOFOAZ-DARAHFNDSA-N 0 3 363.462 -0.005 20 0 FBADHN C[C@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424513088 485206978 /nfs/dbraw/zinc/20/69/78/485206978.db2.gz WWTYYNQPHOFOAZ-LQKXBSAESA-N 0 3 363.462 -0.005 20 0 FBADHN C[C@@H]1C[C@H](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCO1 ZINC000424513089 485206069 /nfs/dbraw/zinc/20/60/69/485206069.db2.gz WWTYYNQPHOFOAZ-LUYZLQTOSA-N 0 3 363.462 -0.005 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CCOCC1 ZINC000424513705 485206807 /nfs/dbraw/zinc/20/68/07/485206807.db2.gz YBNIDDFVJPGUSA-ARFHVFGLSA-N 0 3 363.462 -0.005 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CCOCC1 ZINC000424513707 485206512 /nfs/dbraw/zinc/20/65/12/485206512.db2.gz YBNIDDFVJPGUSA-XHSDSOJGSA-N 0 3 363.462 -0.005 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccco1 ZINC000424513834 485207129 /nfs/dbraw/zinc/20/71/29/485207129.db2.gz YJKJPUYSWNXXOV-RRFJBIMHSA-N 0 3 374.445 -0.315 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccco1 ZINC000424513837 485206346 /nfs/dbraw/zinc/20/63/46/485206346.db2.gz YJKJPUYSWNXXOV-ZNMIVQPWSA-N 0 3 374.445 -0.315 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cccc4c3OCO4)C[C@H]2N)cn1 ZINC000424513871 485206711 /nfs/dbraw/zinc/20/67/11/485206711.db2.gz YLUHDBOUXWQBGS-UONOGXRCSA-N 0 3 371.397 -0.282 20 0 FBADHN CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424514799 485206274 /nfs/dbraw/zinc/20/62/74/485206274.db2.gz BGQSSULLQYHOND-FPMFFAJLSA-N 0 3 365.434 -0.623 20 0 FBADHN CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424514800 485206635 /nfs/dbraw/zinc/20/66/35/485206635.db2.gz BGQSSULLQYHOND-KWCYVHTRSA-N 0 3 365.434 -0.623 20 0 FBADHN Cc1cc(C)n(CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n1 ZINC000424515433 485206577 /nfs/dbraw/zinc/20/65/77/485206577.db2.gz CJRJQZPHJNVWRO-JKSUJKDBSA-N 0 3 373.461 -0.307 20 0 FBADHN CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424516016 485206953 /nfs/dbraw/zinc/20/69/53/485206953.db2.gz DDTXZFLCERIDHM-FPMFFAJLSA-N 0 3 365.434 -0.621 20 0 FBADHN CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424516017 485206236 /nfs/dbraw/zinc/20/62/36/485206236.db2.gz DDTXZFLCERIDHM-KWCYVHTRSA-N 0 3 365.434 -0.621 20 0 FBADHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1(C)C ZINC000424516046 485206734 /nfs/dbraw/zinc/20/67/34/485206734.db2.gz DHLPGKFKCMAIAO-COWZWYNKSA-N 0 3 363.462 -0.151 20 0 FBADHN CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1(C)C ZINC000424516047 485206462 /nfs/dbraw/zinc/20/64/62/485206462.db2.gz DHLPGKFKCMAIAO-MYBUGEPTSA-N 0 3 363.462 -0.151 20 0 FBADHN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1(C)C ZINC000424516048 485206437 /nfs/dbraw/zinc/20/64/37/485206437.db2.gz DHLPGKFKCMAIAO-VNUKXSOBSA-N 0 3 363.462 -0.151 20 0 FBADHN CO[C@@H]1[C@@H](C)[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1(C)C ZINC000424516050 485206409 /nfs/dbraw/zinc/20/64/09/485206409.db2.gz DHLPGKFKCMAIAO-XKNKYKOPSA-N 0 3 363.462 -0.151 20 0 FBADHN CCc1cnccc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424516105 485206148 /nfs/dbraw/zinc/20/61/48/485206148.db2.gz DMMNLYQNWZTALQ-JKSUJKDBSA-N 0 3 356.430 -0.053 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424516384 485207054 /nfs/dbraw/zinc/20/70/54/485207054.db2.gz FADZYENPOYAXSI-JKSUJKDBSA-N 0 3 362.478 -0.479 20 0 FBADHN CC(C)OCCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424516995 485207075 /nfs/dbraw/zinc/20/70/75/485207075.db2.gz FVVQOWFHNTYISR-LSDHHAIUSA-N 0 3 351.451 -0.005 20 0 FBADHN CCCCOCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424517106 485206999 /nfs/dbraw/zinc/20/69/99/485206999.db2.gz GAQCMHOLYZNRNC-LSDHHAIUSA-N 0 3 351.451 -0.004 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccc(O)cc3)C[C@H]2N)cn1 ZINC000424517229 485206049 /nfs/dbraw/zinc/20/60/49/485206049.db2.gz GHLNOSSJZCRVPT-JKSUJKDBSA-N 0 3 357.414 -0.262 20 0 FBADHN CCc1ccnc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424517966 485206397 /nfs/dbraw/zinc/20/63/97/485206397.db2.gz HDIWWOQSSIFWHK-JKSUJKDBSA-N 0 3 356.430 -0.053 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424519049 485207814 /nfs/dbraw/zinc/20/78/14/485207814.db2.gz JARMKYSEAPITQH-JKSUJKDBSA-N 0 3 357.414 -0.002 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCCNc3ccccn3)C[C@H]2N)cn1 ZINC000424519055 485207776 /nfs/dbraw/zinc/20/77/76/485207776.db2.gz JBMMEXZUVLHQOO-LSDHHAIUSA-N 0 3 371.445 -0.313 20 0 FBADHN CC(C)Cn1ccnc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424519487 485207499 /nfs/dbraw/zinc/20/74/99/485207499.db2.gz JOHVSFKGVHKHAY-LSDHHAIUSA-N 0 3 373.461 -0.158 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n1 ZINC000424519620 485207689 /nfs/dbraw/zinc/20/76/89/485207689.db2.gz JVQUYITWAGYFHJ-LSDHHAIUSA-N 0 3 372.429 -0.564 20 0 FBADHN CCOC1CC(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424521489 485207676 /nfs/dbraw/zinc/20/76/76/485207676.db2.gz LSULXPWCAYCUSK-DISOXQEGSA-N 0 3 363.462 -0.005 20 0 FBADHN CC(C)OC(=O)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424523032 485207532 /nfs/dbraw/zinc/20/75/32/485207532.db2.gz NUOOJCICKNVDRR-UONOGXRCSA-N 0 3 365.434 -0.479 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424523037 485207982 /nfs/dbraw/zinc/20/79/82/485207982.db2.gz NWBWFDVYWZFUNP-HRCADAONSA-N 0 3 362.478 -0.336 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424523040 485208323 /nfs/dbraw/zinc/20/83/23/485208323.db2.gz NWBWFDVYWZFUNP-OWCLPIDISA-N 0 3 362.478 -0.336 20 0 FBADHN CCOCCC1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424523891 485209010 /nfs/dbraw/zinc/20/90/10/485209010.db2.gz OVULDDFOSHWOMG-LSDHHAIUSA-N 0 3 363.462 -0.004 20 0 FBADHN COc1ccnc(CNC(=O)C(=O)NCCCNCc2cccnc2)n1 ZINC000424525209 485209271 /nfs/dbraw/zinc/20/92/71/485209271.db2.gz QPPLNXFKJYRVBP-UHFFFAOYSA-N 0 3 358.402 -0.208 20 0 FBADHN CCC(O)(CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424525246 485208786 /nfs/dbraw/zinc/20/87/86/485208786.db2.gz QRQIKPFWVPXUQJ-UONOGXRCSA-N 0 3 351.451 -0.269 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)OCO4)C[C@H]2N)cn1 ZINC000424528644 485213304 /nfs/dbraw/zinc/21/33/04/485213304.db2.gz UGIHFDHSDMBKGL-UONOGXRCSA-N 0 3 371.397 -0.282 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)Cn1cccn1 ZINC000424528674 485213009 /nfs/dbraw/zinc/21/30/09/485213009.db2.gz UIAZKXMOIKLFJL-AEGPPILISA-N 0 3 359.434 -0.678 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)Cn1cccn1 ZINC000424528676 485212833 /nfs/dbraw/zinc/21/28/33/485212833.db2.gz UIAZKXMOIKLFJL-VHDGCEQUSA-N 0 3 359.434 -0.678 20 0 FBADHN CCOC(=O)CC[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424530633 485216710 /nfs/dbraw/zinc/21/67/10/485216710.db2.gz VZVRBUJTUFQCTE-FPMFFAJLSA-N 0 3 365.434 -0.479 20 0 FBADHN CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424530635 485216598 /nfs/dbraw/zinc/21/65/98/485216598.db2.gz VZVRBUJTUFQCTE-KWCYVHTRSA-N 0 3 365.434 -0.479 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000424531833 485219238 /nfs/dbraw/zinc/21/92/38/485219238.db2.gz XGDSRKQLXLFRBM-JKSUJKDBSA-N 0 3 357.414 -0.002 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424531835 485219307 /nfs/dbraw/zinc/21/93/07/485219307.db2.gz XGSDYXVLDSEZNE-AHLTXXRQSA-N 0 3 363.418 -0.869 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NC3Cc4ccccc4C3)C[C@H]2N)cn1 ZINC000424531882 485219326 /nfs/dbraw/zinc/21/93/26/485219326.db2.gz XICJLEWHWPEIGU-DLBZAZTESA-N 0 3 353.426 -0.043 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC(=O)NC(C)(C)C)C[C@H]2N)cn1 ZINC000424533213 485219451 /nfs/dbraw/zinc/21/94/51/485219451.db2.gz YGZFOWXAFMHIQC-QWHCGFSZSA-N 0 3 364.450 -0.906 20 0 FBADHN COCCCN(CCOC)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424535317 485222654 /nfs/dbraw/zinc/22/26/54/485222654.db2.gz ADHWKPHWIZPOGD-LSDHHAIUSA-N 0 3 367.450 -0.815 20 0 FBADHN CC1=CCN(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424535694 485222737 /nfs/dbraw/zinc/22/27/37/485222737.db2.gz AJSSCSKYYNOMPC-JKSUJKDBSA-N 0 3 360.462 -0.559 20 0 FBADHN C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536244 485223473 /nfs/dbraw/zinc/22/34/73/485223473.db2.gz BFZZEDPVMJRSCX-DMRZNYOFSA-N 0 3 363.462 -0.175 20 0 FBADHN C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536246 485222792 /nfs/dbraw/zinc/22/27/92/485222792.db2.gz BFZZEDPVMJRSCX-DRPJVOAASA-N 0 3 363.462 -0.175 20 0 FBADHN C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536248 485222947 /nfs/dbraw/zinc/22/29/47/485222947.db2.gz BFZZEDPVMJRSCX-QCEMKRCNSA-N 0 3 363.462 -0.175 20 0 FBADHN C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536250 485222564 /nfs/dbraw/zinc/22/25/64/485222564.db2.gz BFZZEDPVMJRSCX-SYAUCNOPSA-N 0 3 363.462 -0.175 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)CC1=O ZINC000424536684 484363137 /nfs/dbraw/zinc/36/31/37/484363137.db2.gz VTDUCMNSCBWMIQ-IHRRRGAJSA-N 0 3 354.451 -0.804 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)CC1=O ZINC000424536689 484363797 /nfs/dbraw/zinc/36/37/97/484363797.db2.gz VTDUCMNSCBWMIQ-MJBXVCDLSA-N 0 3 354.451 -0.804 20 0 FBADHN CCCN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536815 485223225 /nfs/dbraw/zinc/22/32/25/485223225.db2.gz BOEIFPOAHGJACU-UONOGXRCSA-N 0 3 351.451 -0.317 20 0 FBADHN CC(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536929 485222173 /nfs/dbraw/zinc/22/21/73/485222173.db2.gz BDHVCJPDEDAYGH-ARLBYUKCSA-N 0 3 363.462 -0.150 20 0 FBADHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536930 485223131 /nfs/dbraw/zinc/22/31/31/485223131.db2.gz BDHVCJPDEDAYGH-BVUBDWEXSA-N 0 3 363.462 -0.150 20 0 FBADHN CC(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536931 485222999 /nfs/dbraw/zinc/22/29/99/485222999.db2.gz BDHVCJPDEDAYGH-HNKHHVNMSA-N 0 3 363.462 -0.150 20 0 FBADHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424536932 485222516 /nfs/dbraw/zinc/22/25/16/485222516.db2.gz BDHVCJPDEDAYGH-SLBVQIDZSA-N 0 3 363.462 -0.150 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000424538664 485225013 /nfs/dbraw/zinc/22/50/13/485225013.db2.gz DHPKWHDECCYYGS-KBPBESRZSA-N 0 3 370.494 -0.215 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000424538668 485224676 /nfs/dbraw/zinc/22/46/76/485224676.db2.gz DHPKWHDECCYYGS-KGLIPLIRSA-N 0 3 370.494 -0.215 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000424538671 485224653 /nfs/dbraw/zinc/22/46/53/485224653.db2.gz DHPKWHDECCYYGS-UONOGXRCSA-N 0 3 370.494 -0.215 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000424538672 485224374 /nfs/dbraw/zinc/22/43/74/485224374.db2.gz DHPKWHDECCYYGS-ZIAGYGMSSA-N 0 3 370.494 -0.215 20 0 FBADHN COc1cccnc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424539046 485224231 /nfs/dbraw/zinc/22/42/31/485224231.db2.gz CLNRSMZGBSZVPP-QWHCGFSZSA-N 0 3 358.402 -0.607 20 0 FBADHN CS(=O)(=O)CCCCNC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000424539415 485224614 /nfs/dbraw/zinc/22/46/14/485224614.db2.gz FCHDBHWCFYYBNZ-UHFFFAOYSA-N 0 3 355.460 -0.085 20 0 FBADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C12CCC2 ZINC000424539685 485224445 /nfs/dbraw/zinc/22/44/45/485224445.db2.gz CUQJLVABSJSSAA-GBJTYRQASA-N 0 3 361.446 -0.253 20 0 FBADHN CO[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C12CCC2 ZINC000424539687 485225148 /nfs/dbraw/zinc/22/51/48/485225148.db2.gz CUQJLVABSJSSAA-LJISPDSOSA-N 0 3 361.446 -0.253 20 0 FBADHN CO[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C12CCC2 ZINC000424539689 485224810 /nfs/dbraw/zinc/22/48/10/485224810.db2.gz CUQJLVABSJSSAA-XGUBFFRZSA-N 0 3 361.446 -0.253 20 0 FBADHN CO[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C12CCC2 ZINC000424539691 485224600 /nfs/dbraw/zinc/22/46/00/485224600.db2.gz CUQJLVABSJSSAA-YJNKXOJESA-N 0 3 361.446 -0.253 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(CC(F)F)CC3)C[C@H]2N)cn1 ZINC000424540013 485224215 /nfs/dbraw/zinc/22/42/15/485224215.db2.gz FXWFAORKSFHHQG-QWHCGFSZSA-N 0 3 370.404 -0.918 20 0 FBADHN CCC1(CO)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424540052 485224622 /nfs/dbraw/zinc/22/46/22/485224622.db2.gz GAUKGRFTLPQDMT-LSDHHAIUSA-N 0 3 363.462 -0.316 20 0 FBADHN CN1CC[C@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1=O ZINC000424540483 485226157 /nfs/dbraw/zinc/22/61/57/485226157.db2.gz GHGBQXQYHSPYKL-CWRNSKLLSA-N 0 3 358.442 -0.076 20 0 FBADHN CN1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1=O ZINC000424540486 485226006 /nfs/dbraw/zinc/22/60/06/485226006.db2.gz GHGBQXQYHSPYKL-VNQPRFMTSA-N 0 3 358.442 -0.076 20 0 FBADHN COc1cc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)ccn1 ZINC000424540574 485225386 /nfs/dbraw/zinc/22/53/86/485225386.db2.gz DDTMETIOVGOFDO-UONOGXRCSA-N 0 3 358.402 -0.607 20 0 FBADHN COc1cnccc1[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424541154 485226016 /nfs/dbraw/zinc/22/60/16/485226016.db2.gz DOXFUZIFMABOAC-BYCMXARLSA-N 0 3 372.429 -0.046 20 0 FBADHN COc1cnccc1[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424541156 485226100 /nfs/dbraw/zinc/22/61/00/485226100.db2.gz DOXFUZIFMABOAC-TUKIKUTGSA-N 0 3 372.429 -0.046 20 0 FBADHN CCOc1ncccc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424541536 485225600 /nfs/dbraw/zinc/22/56/00/485225600.db2.gz DXVLOJSEPTWPHU-LSDHHAIUSA-N 0 3 372.429 -0.217 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCC1 ZINC000424541831 485226396 /nfs/dbraw/zinc/22/63/96/485226396.db2.gz FJFVLEOOMNYAJF-LSDHHAIUSA-N 0 3 363.462 -0.004 20 0 FBADHN CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424542244 485225760 /nfs/dbraw/zinc/22/57/60/485225760.db2.gz ICJFSMVMVWDUNN-FPMFFAJLSA-N 0 3 365.434 -0.527 20 0 FBADHN CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424542249 485226052 /nfs/dbraw/zinc/22/60/52/485226052.db2.gz ICJFSMVMVWDUNN-KWCYVHTRSA-N 0 3 365.434 -0.527 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424543823 485227581 /nfs/dbraw/zinc/22/75/81/485227581.db2.gz JZJOEVDTYCSLOW-AVGNSLFASA-N 0 3 350.423 -0.329 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424543825 485227369 /nfs/dbraw/zinc/22/73/69/485227369.db2.gz JZJOEVDTYCSLOW-RWMBFGLXSA-N 0 3 350.423 -0.329 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424543827 485227711 /nfs/dbraw/zinc/22/77/11/485227711.db2.gz JZJOEVDTYCSLOW-XQQFMLRXSA-N 0 3 350.423 -0.329 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424543829 485227552 /nfs/dbraw/zinc/22/75/52/485227552.db2.gz JZJOEVDTYCSLOW-YNEHKIRRSA-N 0 3 350.423 -0.329 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOCC(F)(F)F)C[C@H]2N)cn1 ZINC000424544116 485226940 /nfs/dbraw/zinc/22/69/40/485226940.db2.gz GTVNGZFLLDSINZ-WDEREUQCSA-N 0 3 363.340 -0.632 20 0 FBADHN CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424545131 485227739 /nfs/dbraw/zinc/22/77/39/485227739.db2.gz LHXFVRYEPXZBIL-ARLBYUKCSA-N 0 3 363.462 -0.317 20 0 FBADHN CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424545135 485227621 /nfs/dbraw/zinc/22/76/21/485227621.db2.gz LHXFVRYEPXZBIL-BVUBDWEXSA-N 0 3 363.462 -0.317 20 0 FBADHN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424545141 485227096 /nfs/dbraw/zinc/22/70/96/485227096.db2.gz LHXFVRYEPXZBIL-HNKHHVNMSA-N 0 3 363.462 -0.317 20 0 FBADHN CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424545146 485227210 /nfs/dbraw/zinc/22/72/10/485227210.db2.gz LHXFVRYEPXZBIL-SLBVQIDZSA-N 0 3 363.462 -0.317 20 0 FBADHN COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424545930 485228897 /nfs/dbraw/zinc/22/88/97/485228897.db2.gz MEBYIRFFSLHYTG-HZSPNIEDSA-N 0 3 363.418 -0.773 20 0 FBADHN COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424545936 485228568 /nfs/dbraw/zinc/22/85/68/485228568.db2.gz MEBYIRFFSLHYTG-MELADBBJSA-N 0 3 363.418 -0.773 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(CC4CC4)CC3)C[C@H]2N)cn1 ZINC000424545943 485229003 /nfs/dbraw/zinc/22/90/03/485229003.db2.gz MEIXXTPKVOSLLG-JKSUJKDBSA-N 0 3 360.462 -0.773 20 0 FBADHN CCCCN(CCOC)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424546639 485228707 /nfs/dbraw/zinc/22/87/07/485228707.db2.gz NJMPNSHZEIAADO-LSDHHAIUSA-N 0 3 351.451 -0.052 20 0 FBADHN CC(C)C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424546688 485228840 /nfs/dbraw/zinc/22/88/40/485228840.db2.gz NMUONTLAMMLQDS-HRCADAONSA-N 0 3 363.462 -0.053 20 0 FBADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424546691 485228364 /nfs/dbraw/zinc/22/83/64/485228364.db2.gz NMUONTLAMMLQDS-OWCLPIDISA-N 0 3 363.462 -0.053 20 0 FBADHN CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cn1 ZINC000424546769 485228602 /nfs/dbraw/zinc/22/86/02/485228602.db2.gz JEWZTOKNBNZGGI-LSDHHAIUSA-N 0 3 371.445 -0.549 20 0 FBADHN CN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@H]1CCN(C2CC2)C1 ZINC000424547516 485228743 /nfs/dbraw/zinc/22/87/43/485228743.db2.gz OQQBANFRSZZORY-HRCADAONSA-N 0 3 360.462 -0.632 20 0 FBADHN CN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@@H]1CCN(C2CC2)C1 ZINC000424547517 485228485 /nfs/dbraw/zinc/22/84/85/485228485.db2.gz OQQBANFRSZZORY-OWCLPIDISA-N 0 3 360.462 -0.632 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cn4ccsc4n3)C[C@H]2N)cn1 ZINC000424548241 485228406 /nfs/dbraw/zinc/22/84/06/485228406.db2.gz KZFSBXRCARWOGV-QWHCGFSZSA-N 0 3 373.442 -0.301 20 0 FBADHN COC(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424548485 485228097 /nfs/dbraw/zinc/22/80/97/485228097.db2.gz PWKMBRKYAAGXFF-FPMFFAJLSA-N 0 3 363.418 -0.915 20 0 FBADHN COC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424548492 485228251 /nfs/dbraw/zinc/22/82/51/485228251.db2.gz PWKMBRKYAAGXFF-KWCYVHTRSA-N 0 3 363.418 -0.915 20 0 FBADHN CCCC[C@H](COC)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548698 485229828 /nfs/dbraw/zinc/22/98/28/485229828.db2.gz LIZVWJOGBDYXJJ-QLFBSQMISA-N 0 3 351.451 -0.005 20 0 FBADHN CCCC[C@@H](COC)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548699 485229510 /nfs/dbraw/zinc/22/95/10/485229510.db2.gz LIZVWJOGBDYXJJ-SOUVJXGZSA-N 0 3 351.451 -0.005 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N(CCCO)CC(C)(C)C)C[C@H]2N)cn1 ZINC000424548917 485230222 /nfs/dbraw/zinc/23/02/22/485230222.db2.gz QNFWOKWKYUKBCR-LSDHHAIUSA-N 0 3 365.478 -0.070 20 0 FBADHN CC(C)OC(=O)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548984 485230119 /nfs/dbraw/zinc/23/01/19/485230119.db2.gz LPUBUOXLDJUWOI-QWHCGFSZSA-N 0 3 351.407 -0.869 20 0 FBADHN Cc1cnccc1CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424549002 485229721 /nfs/dbraw/zinc/22/97/21/485229721.db2.gz LSAMFAJJVPNSGA-JKSUJKDBSA-N 0 3 356.430 -0.264 20 0 FBADHN COCC1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCCC1 ZINC000424549007 485229584 /nfs/dbraw/zinc/22/95/84/485229584.db2.gz LTJKIKSWWASUHY-LSDHHAIUSA-N 0 3 363.462 -0.004 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCN1C ZINC000424550165 485230037 /nfs/dbraw/zinc/23/00/37/485230037.db2.gz SFTXDJGVVGHJGJ-ARFHVFGLSA-N 0 3 362.478 -0.528 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCN1C ZINC000424550170 485230142 /nfs/dbraw/zinc/23/01/42/485230142.db2.gz SFTXDJGVVGHJGJ-XHSDSOJGSA-N 0 3 362.478 -0.528 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3CCSCC3)C[C@H]2N)cn1 ZINC000424550295 485230178 /nfs/dbraw/zinc/23/01/78/485230178.db2.gz MYBOVJHTDMCIKU-UONOGXRCSA-N 0 3 351.476 -0.067 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccn4ccnc4c3)C[C@H]2N)cn1 ZINC000424550812 485230098 /nfs/dbraw/zinc/23/00/98/485230098.db2.gz NSQOHRXHMQNNRK-LSDHHAIUSA-N 0 3 367.413 -0.363 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424551009 485229934 /nfs/dbraw/zinc/22/99/34/485229934.db2.gz USZRKQFFJNSWKL-OKZBNKHCSA-N 0 3 372.469 -0.176 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424551011 485229633 /nfs/dbraw/zinc/22/96/33/485229633.db2.gz USZRKQFFJNSWKL-RCCFBDPRSA-N 0 3 372.469 -0.176 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424551289 485229997 /nfs/dbraw/zinc/22/99/97/485229997.db2.gz VARKAJGJSZDZAE-JKSUJKDBSA-N 0 3 362.478 -0.527 20 0 FBADHN CC(C)COCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424551304 485229883 /nfs/dbraw/zinc/22/98/83/485229883.db2.gz OLDWPDFUIWYCSP-LSDHHAIUSA-N 0 3 351.451 -0.148 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC(CCCO)CC3)C[C@H]2N)cn1 ZINC000424551388 485229361 /nfs/dbraw/zinc/22/93/61/485229361.db2.gz VPKNPXKDVHSZIQ-JKSUJKDBSA-N 0 3 363.462 -0.316 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3COc4ccccc4C3)C[C@H]2N)cn1 ZINC000424551442 485229670 /nfs/dbraw/zinc/22/96/70/485229670.db2.gz OQBNEXKIBFOGSQ-HRCADAONSA-N 0 3 369.425 -0.207 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3COc4ccccc4C3)C[C@H]2N)cn1 ZINC000424551443 485230211 /nfs/dbraw/zinc/23/02/11/485230211.db2.gz OQBNEXKIBFOGSQ-OWCLPIDISA-N 0 3 369.425 -0.207 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOCC3CCCC3)C[C@H]2N)cn1 ZINC000424551575 485230008 /nfs/dbraw/zinc/23/00/08/485230008.db2.gz PADXYZZDTVRFJQ-JKSUJKDBSA-N 0 3 363.462 -0.004 20 0 FBADHN Cc1nc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cs1 ZINC000424552050 485229657 /nfs/dbraw/zinc/22/96/57/485229657.db2.gz PSXPOEJLTIZXSM-UONOGXRCSA-N 0 3 362.459 -0.203 20 0 FBADHN CCOC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424552332 485229321 /nfs/dbraw/zinc/22/93/21/485229321.db2.gz XPUFIHSFMBQENN-CWRNSKLLSA-N 0 3 363.462 -0.052 20 0 FBADHN CCOC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424552333 485229448 /nfs/dbraw/zinc/22/94/48/485229448.db2.gz XPUFIHSFMBQENN-VNQPRFMTSA-N 0 3 363.462 -0.052 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424552656 485229612 /nfs/dbraw/zinc/22/96/12/485229612.db2.gz QLBYATPXCRSGDJ-CAPXZKIUSA-N 0 3 360.462 -0.728 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424552657 485230080 /nfs/dbraw/zinc/23/00/80/485230080.db2.gz QLBYATPXCRSGDJ-DANNLKNASA-N 0 3 360.462 -0.728 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424552658 485229415 /nfs/dbraw/zinc/22/94/15/485229415.db2.gz QLBYATPXCRSGDJ-KSYCFECVSA-N 0 3 360.462 -0.728 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424552659 485229436 /nfs/dbraw/zinc/22/94/36/485229436.db2.gz QLBYATPXCRSGDJ-MSQAHXEGSA-N 0 3 360.462 -0.728 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CN1C1CC1 ZINC000424553104 485229573 /nfs/dbraw/zinc/22/95/73/485229573.db2.gz QZMOVURLVSLDDL-DLKVLKDVSA-N 0 3 360.462 -0.585 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CN1C1CC1 ZINC000424553110 485229862 /nfs/dbraw/zinc/22/98/62/485229862.db2.gz QZMOVURLVSLDDL-RUAUBTSSSA-N 0 3 360.462 -0.585 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CN1C1CC1 ZINC000424553111 485230058 /nfs/dbraw/zinc/23/00/58/485230058.db2.gz QZMOVURLVSLDDL-SHPPOPEUSA-N 0 3 360.462 -0.585 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CN1C1CC1 ZINC000424553113 485229386 /nfs/dbraw/zinc/22/93/86/485229386.db2.gz QZMOVURLVSLDDL-XABYNWHXSA-N 0 3 360.462 -0.585 20 0 FBADHN COCCN(CC(F)F)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424553167 485229983 /nfs/dbraw/zinc/22/99/83/485229983.db2.gz ZDIWVYQBWHXUNJ-NWDGAFQWSA-N 0 3 359.377 -0.587 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H](n4cccn4)C3)C[C@H]2N)cn1 ZINC000424553420 485230555 /nfs/dbraw/zinc/23/05/55/485230555.db2.gz ZKJLIVXQLTWMAU-HRCADAONSA-N 0 3 371.445 -0.267 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](n4cccn4)C3)C[C@H]2N)cn1 ZINC000424553421 485230624 /nfs/dbraw/zinc/23/06/24/485230624.db2.gz ZKJLIVXQLTWMAU-OWCLPIDISA-N 0 3 371.445 -0.267 20 0 FBADHN CN(CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccccc1 ZINC000424554307 485230732 /nfs/dbraw/zinc/23/07/32/485230732.db2.gz SDXUXVYEYCRCDY-DLBZAZTESA-N 0 3 370.457 -0.074 20 0 FBADHN CN(C)c1cccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n1 ZINC000424554393 485231398 /nfs/dbraw/zinc/23/13/98/485231398.db2.gz SHAIRRGOKASHCP-LSDHHAIUSA-N 0 3 371.445 -0.549 20 0 FBADHN Cc1ccc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)nc1 ZINC000424554419 485230689 /nfs/dbraw/zinc/23/06/89/485230689.db2.gz SKWSQJLFQHHXDN-JKSUJKDBSA-N 0 3 356.430 -0.264 20 0 FBADHN COc1ncccc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424555798 485230874 /nfs/dbraw/zinc/23/08/74/485230874.db2.gz UAMSZHVDMOQSPF-UONOGXRCSA-N 0 3 358.402 -0.607 20 0 FBADHN CC(C)C[C@H](CCO)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424555815 485230935 /nfs/dbraw/zinc/23/09/35/485230935.db2.gz UBHIOAYAMYQHJG-CWRNSKLLSA-N 0 3 365.478 -0.166 20 0 FBADHN CC(C)C[C@@H](CCO)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424556148 485230588 /nfs/dbraw/zinc/23/05/88/485230588.db2.gz UBHIOAYAMYQHJG-VNQPRFMTSA-N 0 3 365.478 -0.166 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3COc4ccccc43)C[C@H]2N)cn1 ZINC000424556709 485231129 /nfs/dbraw/zinc/23/11/29/485231129.db2.gz UXYDYDNHNOVLMS-RRFJBIMHSA-N 0 3 355.398 -0.077 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3COc4ccccc43)C[C@H]2N)cn1 ZINC000424556715 485230642 /nfs/dbraw/zinc/23/06/42/485230642.db2.gz UXYDYDNHNOVLMS-ZNMIVQPWSA-N 0 3 355.398 -0.077 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cn1 ZINC000424557158 485231048 /nfs/dbraw/zinc/23/10/48/485231048.db2.gz VFWWVJKNEGTWAN-UONOGXRCSA-N 0 3 358.402 -0.607 20 0 FBADHN COC1CCC(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424557893 485232307 /nfs/dbraw/zinc/23/23/07/485232307.db2.gz WAOFOLNDFRGLBY-DISOXQEGSA-N 0 3 363.462 -0.005 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1O ZINC000424557947 485232448 /nfs/dbraw/zinc/23/24/48/485232448.db2.gz WHOUDRAVUAVECS-UONOGXRCSA-N 0 3 373.413 -0.296 20 0 FBADHN COCC1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424558381 485232500 /nfs/dbraw/zinc/23/25/00/485232500.db2.gz WLVJEEYLGDBFAD-DISOXQEGSA-N 0 3 363.462 -0.005 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n1 ZINC000424560137 485233405 /nfs/dbraw/zinc/23/34/05/485233405.db2.gz XUMYXFDSCYNCHN-UONOGXRCSA-N 0 3 358.402 -0.607 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc4cncn4c3)C[C@H]2N)cn1 ZINC000424560804 485233850 /nfs/dbraw/zinc/23/38/50/485233850.db2.gz YNKQVLBZOUFJHC-JKSUJKDBSA-N 0 3 367.413 -0.363 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3cccc(O)c3)C[C@H]2N)cn1 ZINC000424561602 485233853 /nfs/dbraw/zinc/23/38/53/485233853.db2.gz YXNFPBVCCXYXFF-JKSUJKDBSA-N 0 3 357.414 -0.262 20 0 FBADHN CN(C)c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424563461 485234512 /nfs/dbraw/zinc/23/45/12/485234512.db2.gz ZRCZJWDONQIDRQ-LSDHHAIUSA-N 0 3 371.445 -0.549 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)nc1 ZINC000424563636 485234380 /nfs/dbraw/zinc/23/43/80/485234380.db2.gz ZVAVRNGTZOUJSE-LSDHHAIUSA-N 0 3 358.402 -0.607 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccco1 ZINC000424563650 485234290 /nfs/dbraw/zinc/23/42/90/485234290.db2.gz ZVDLGBURKYSENQ-BFHYXJOUSA-N 0 3 361.402 -0.230 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccco1 ZINC000424563657 485234330 /nfs/dbraw/zinc/23/43/30/485234330.db2.gz ZVDLGBURKYSENQ-MJBXVCDLSA-N 0 3 361.402 -0.230 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc3c(cn2)OCCO3)cn1 ZINC000424694676 485269466 /nfs/dbraw/zinc/26/94/66/485269466.db2.gz WIVWALOURKAMAD-UHFFFAOYSA-N 0 3 374.401 -0.021 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc2c(cn1)OCCO2 ZINC000424733160 485271141 /nfs/dbraw/zinc/27/11/41/485271141.db2.gz GDBRSDBHSMNPJT-UHFFFAOYSA-N 0 3 364.446 -0.027 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425001032 483783425 /nfs/dbraw/zinc/78/34/25/483783425.db2.gz COVRWTOGKNHCEI-DLBZAZTESA-N 0 3 358.442 -0.028 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000425003951 483787124 /nfs/dbraw/zinc/78/71/24/483787124.db2.gz TYYHIDVBAIHRGK-HNNXBMFYSA-N 0 3 354.495 -0.034 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000425003952 483787139 /nfs/dbraw/zinc/78/71/39/483787139.db2.gz TYYHIDVBAIHRGK-OAHLLOKOSA-N 0 3 354.495 -0.034 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425008333 485320605 /nfs/dbraw/zinc/32/06/05/485320605.db2.gz OYBOLGAAUFOJAL-LSDHHAIUSA-N 0 3 352.460 -0.227 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425054627 484646435 /nfs/dbraw/zinc/64/64/35/484646435.db2.gz FJCPWVYQJFQTDE-UONOGXRCSA-N 0 3 374.507 -0.627 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000425059270 658962433 /nfs/dbraw/zinc/96/24/33/658962433.db2.gz QYWOPPGWXRQPRQ-SMDDNHRTSA-N 0 3 366.443 -0.175 20 0 FBADHN CCOC(=O)Cn1cnc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000425106535 484652574 /nfs/dbraw/zinc/65/25/74/484652574.db2.gz MEAGOEKDSYACPX-LLVKDONJSA-N 0 3 352.395 -0.810 20 0 FBADHN CCOC(=O)Cn1cnc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000425106536 484653118 /nfs/dbraw/zinc/65/31/18/484653118.db2.gz MEAGOEKDSYACPX-NSHDSACASA-N 0 3 352.395 -0.810 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425216912 484664598 /nfs/dbraw/zinc/66/45/98/484664598.db2.gz SOJIHOJTOFYVBT-QWHCGFSZSA-N 0 3 353.510 -0.376 20 0 FBADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCOCC2CC2)CC1 ZINC000425220269 484666946 /nfs/dbraw/zinc/66/69/46/484666946.db2.gz UDEDYSBRLGOWBD-UHFFFAOYSA-N 0 3 359.492 -0.017 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425224268 484665101 /nfs/dbraw/zinc/66/51/01/484665101.db2.gz OBDGINLLOGMDBL-GFCCVEGCSA-N 0 3 371.463 -0.513 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425224272 484664626 /nfs/dbraw/zinc/66/46/26/484664626.db2.gz OBDGINLLOGMDBL-LBPRGKRZSA-N 0 3 371.463 -0.513 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000425261734 484670272 /nfs/dbraw/zinc/67/02/72/484670272.db2.gz ZENKDBCOKWBQKM-CYBMUJFWSA-N 0 3 371.445 -0.421 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000425261735 484669399 /nfs/dbraw/zinc/66/93/99/484669399.db2.gz ZENKDBCOKWBQKM-ZDUSSCGKSA-N 0 3 371.445 -0.421 20 0 FBADHN COCC(C)(C)N1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000425276471 484671754 /nfs/dbraw/zinc/67/17/54/484671754.db2.gz GXOKCYOVDASHFW-UHFFFAOYSA-N 0 3 367.498 -0.513 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)CC1=O ZINC000425306360 483894871 /nfs/dbraw/zinc/89/48/71/483894871.db2.gz AFWBUYKEMYHVPG-KBPBESRZSA-N 0 3 364.450 -0.864 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)CC1=O ZINC000425306363 483894937 /nfs/dbraw/zinc/89/49/37/483894937.db2.gz AFWBUYKEMYHVPG-KGLIPLIRSA-N 0 3 364.450 -0.864 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCc3nncn3C2)CC1=O ZINC000425306365 483895151 /nfs/dbraw/zinc/89/51/51/483895151.db2.gz AFWBUYKEMYHVPG-UONOGXRCSA-N 0 3 364.450 -0.864 20 0 FBADHN 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CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)C1=O ZINC000427152125 483824437 /nfs/dbraw/zinc/82/44/37/483824437.db2.gz HSPBCQFRVKJGMH-CYBMUJFWSA-N 0 3 366.418 -0.490 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OCCN3CCCCC3)C2)C1=O ZINC000427152127 483824387 /nfs/dbraw/zinc/82/43/87/483824387.db2.gz HSPBCQFRVKJGMH-ZDUSSCGKSA-N 0 3 366.418 -0.490 20 0 FBADHN Cc1nc(Cn2cc(C(=O)NC[C@@H](O)CN3CCC(C)CC3)nn2)no1 ZINC000427159122 483824794 /nfs/dbraw/zinc/82/47/94/483824794.db2.gz CDLUCYBYFTUHON-CYBMUJFWSA-N 0 3 363.422 -0.160 20 0 FBADHN Cc1nc(Cn2cc(C(=O)NC[C@H](O)CN3CCC(C)CC3)nn2)no1 ZINC000427159123 483825351 /nfs/dbraw/zinc/82/53/51/483825351.db2.gz CDLUCYBYFTUHON-ZDUSSCGKSA-N 0 3 363.422 -0.160 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)C(N)=O ZINC000427161741 483825076 /nfs/dbraw/zinc/82/50/76/483825076.db2.gz WONJQFGUMQNNHR-CABCVRRESA-N 0 3 354.451 -0.530 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1CC[C@H](OCCN2CCCCC2)C1)C(N)=O ZINC000427161744 483825065 /nfs/dbraw/zinc/82/50/65/483825065.db2.gz WONJQFGUMQNNHR-GJZGRUSLSA-N 0 3 354.451 -0.530 20 0 FBADHN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427218076 484486355 /nfs/dbraw/zinc/48/63/55/484486355.db2.gz KPTFTCNYTVBNFG-GFCCVEGCSA-N 0 3 362.434 -0.223 20 0 FBADHN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427218077 484145181 /nfs/dbraw/zinc/14/51/81/484145181.db2.gz KPTFTCNYTVBNFG-LBPRGKRZSA-N 0 3 362.434 -0.223 20 0 FBADHN COCCOC1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000427231276 484327140 /nfs/dbraw/zinc/32/71/40/484327140.db2.gz VBWSDWRTZMLRKC-UHFFFAOYSA-N 0 3 365.434 -0.038 20 0 FBADHN CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427242472 484369560 /nfs/dbraw/zinc/36/95/60/484369560.db2.gz JQTANGKNTNQGFZ-UHFFFAOYSA-N 0 3 365.434 0.500 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CCSC[C@H]3CO)n2)CC1 ZINC000427247349 484134663 /nfs/dbraw/zinc/13/46/63/484134663.db2.gz ABFIYJYBYFXXLH-CYBMUJFWSA-N 0 3 367.475 0.025 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CO)n2)CC1 ZINC000427247350 484134550 /nfs/dbraw/zinc/13/45/50/484134550.db2.gz ABFIYJYBYFXXLH-ZDUSSCGKSA-N 0 3 367.475 0.025 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427271912 483828115 /nfs/dbraw/zinc/82/81/15/483828115.db2.gz HKZZESKAFCPHJE-GOSISDBHSA-N 0 3 360.414 -0.094 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427271922 483828338 /nfs/dbraw/zinc/82/83/38/483828338.db2.gz HKZZESKAFCPHJE-SFHVURJKSA-N 0 3 360.414 -0.094 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427272966 483828138 /nfs/dbraw/zinc/82/81/38/483828138.db2.gz GMVULQRSGQMQJQ-UHFFFAOYSA-N 0 3 360.414 -0.093 20 0 FBADHN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000427278948 484356242 /nfs/dbraw/zinc/35/62/42/484356242.db2.gz DUIZLGUJSMVGFS-UHFFFAOYSA-N 0 3 362.434 -0.317 20 0 FBADHN CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427288210 484370895 /nfs/dbraw/zinc/37/08/95/484370895.db2.gz KFMUONAQTDTWEV-GFCCVEGCSA-N 0 3 365.434 0.546 20 0 FBADHN CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427288211 484370596 /nfs/dbraw/zinc/37/05/96/484370596.db2.gz KFMUONAQTDTWEV-LBPRGKRZSA-N 0 3 365.434 0.546 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C1 ZINC000427310016 483829423 /nfs/dbraw/zinc/82/94/23/483829423.db2.gz XDJARUWCQCUXIC-GOSISDBHSA-N 0 3 358.398 -0.340 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C1 ZINC000427310020 483829394 /nfs/dbraw/zinc/82/93/94/483829394.db2.gz XDJARUWCQCUXIC-SFHVURJKSA-N 0 3 358.398 -0.340 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)CC1 ZINC000427331516 484134737 /nfs/dbraw/zinc/13/47/37/484134737.db2.gz ZFNRDLSFXITICA-AEGPPILISA-N 0 3 361.446 0.318 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)n2)CC1 ZINC000427331517 484135664 /nfs/dbraw/zinc/13/56/64/484135664.db2.gz ZFNRDLSFXITICA-CFVMTHIKSA-N 0 3 361.446 0.318 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)n2)CC1 ZINC000427331518 484134810 /nfs/dbraw/zinc/13/48/10/484134810.db2.gz ZFNRDLSFXITICA-NWANDNLSSA-N 0 3 361.446 0.318 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)CC1 ZINC000427331519 484134586 /nfs/dbraw/zinc/13/45/86/484134586.db2.gz ZFNRDLSFXITICA-QEJZJMRPSA-N 0 3 361.446 0.318 20 0 FBADHN CO[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C[C@@H]1OC ZINC000427376883 484377032 /nfs/dbraw/zinc/37/70/32/484377032.db2.gz UUWDPUYKCFCUCH-KBPBESRZSA-N 0 3 365.434 -0.040 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C[C@H]1OC ZINC000427376884 484371172 /nfs/dbraw/zinc/37/11/72/484371172.db2.gz UUWDPUYKCFCUCH-ZIAGYGMSSA-N 0 3 365.434 -0.040 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CCN4CCC3CC4)n2)CC1 ZINC000427380770 484135414 /nfs/dbraw/zinc/13/54/14/484135414.db2.gz ZDNCFTWTYIJJJP-UHFFFAOYSA-N 0 3 360.462 0.395 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C[C@H](CO)O1 ZINC000427405062 484154786 /nfs/dbraw/zinc/15/47/86/484154786.db2.gz DFIBUKAYCDVEPG-GXTWGEPZSA-N 0 3 365.434 -0.304 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C[C@@H](CO)O1 ZINC000427405065 484154894 /nfs/dbraw/zinc/15/48/94/484154894.db2.gz DFIBUKAYCDVEPG-JSGCOSHPSA-N 0 3 365.434 -0.304 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C[C@@H](CO)O1 ZINC000427405068 484489450 /nfs/dbraw/zinc/48/94/50/484489450.db2.gz DFIBUKAYCDVEPG-OCCSQVGLSA-N 0 3 365.434 -0.304 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C[C@H](CO)O1 ZINC000427405070 484489918 /nfs/dbraw/zinc/48/99/18/484489918.db2.gz DFIBUKAYCDVEPG-TZMCWYRMSA-N 0 3 365.434 -0.304 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCCO)CC2)CC1=O ZINC000427474109 483899316 /nfs/dbraw/zinc/89/93/16/483899316.db2.gz ZYFZVIGNGSOORW-HNNXBMFYSA-N 0 3 368.478 -0.866 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC(C(=O)NCCCO)CC2)CC1=O ZINC000427474110 483899375 /nfs/dbraw/zinc/89/93/75/483899375.db2.gz ZYFZVIGNGSOORW-OAHLLOKOSA-N 0 3 368.478 -0.866 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H](N4CC=CC4)C3)n2)CC1 ZINC000427518329 484134251 /nfs/dbraw/zinc/13/42/51/484134251.db2.gz DWAQMFBABOBIHB-INIZCTEOSA-N 0 3 372.473 0.561 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)n2)CC1 ZINC000427518330 484135126 /nfs/dbraw/zinc/13/51/26/484135126.db2.gz DWAQMFBABOBIHB-MRXNPFEDSA-N 0 3 372.473 0.561 20 0 FBADHN CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427520521 484471493 /nfs/dbraw/zinc/47/14/93/484471493.db2.gz ZOHRVFOXPIAORV-AAEUAGOBSA-N 0 3 369.491 0.317 20 0 FBADHN CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427520522 484471346 /nfs/dbraw/zinc/47/13/46/484471346.db2.gz ZOHRVFOXPIAORV-DGCLKSJQSA-N 0 3 369.491 0.317 20 0 FBADHN CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427520523 484471269 /nfs/dbraw/zinc/47/12/69/484471269.db2.gz ZOHRVFOXPIAORV-WCQYABFASA-N 0 3 369.491 0.317 20 0 FBADHN CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427520524 484471130 /nfs/dbraw/zinc/47/11/30/484471130.db2.gz ZOHRVFOXPIAORV-YPMHNXCESA-N 0 3 369.491 0.317 20 0 FBADHN CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427533885 484400822 /nfs/dbraw/zinc/40/08/22/484400822.db2.gz LZKFUPGIRHZAGR-GFCCVEGCSA-N 0 3 365.434 0.404 20 0 FBADHN CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427533886 484399379 /nfs/dbraw/zinc/39/93/79/484399379.db2.gz LZKFUPGIRHZAGR-LBPRGKRZSA-N 0 3 365.434 0.404 20 0 FBADHN COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427546519 484232396 /nfs/dbraw/zinc/23/23/96/484232396.db2.gz LBFCYAKZQLEPDU-UHFFFAOYSA-N 0 3 365.434 0.404 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)n2)CC1 ZINC000427554076 484134881 /nfs/dbraw/zinc/13/48/81/484134881.db2.gz FGKKEEVARWUCCI-GFCCVEGCSA-N 0 3 374.445 -0.032 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)n2)CC1 ZINC000427554077 484134839 /nfs/dbraw/zinc/13/48/39/484134839.db2.gz FGKKEEVARWUCCI-LBPRGKRZSA-N 0 3 374.445 -0.032 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(C)[C@@H]2CC2(C)C)cn1 ZINC000427612113 483913941 /nfs/dbraw/zinc/91/39/41/483913941.db2.gz KYVLUABVGGNKFM-CYBMUJFWSA-N 0 3 364.450 -0.244 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(C)[C@H]2CC2(C)C)cn1 ZINC000427612114 483913783 /nfs/dbraw/zinc/91/37/83/483913783.db2.gz KYVLUABVGGNKFM-ZDUSSCGKSA-N 0 3 364.450 -0.244 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@](O)(C4CC4)C3)n2)CC1 ZINC000427765038 484135319 /nfs/dbraw/zinc/13/53/19/484135319.db2.gz AXNCDIRIEDKPJR-GOSISDBHSA-N 0 3 361.446 0.462 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@](O)(C4CC4)C3)n2)CC1 ZINC000427765041 484134723 /nfs/dbraw/zinc/13/47/23/484134723.db2.gz AXNCDIRIEDKPJR-SFHVURJKSA-N 0 3 361.446 0.462 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)CCCNC2=O)cn1 ZINC000427858192 483969873 /nfs/dbraw/zinc/96/98/73/483969873.db2.gz URIRBVYQJYBONJ-INIZCTEOSA-N 0 3 350.423 -0.584 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)CCCNC2=O)cn1 ZINC000427858193 483969065 /nfs/dbraw/zinc/96/90/65/483969065.db2.gz URIRBVYQJYBONJ-MRXNPFEDSA-N 0 3 350.423 -0.584 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CC(=O)NCC2CC2)cn1 ZINC000427860013 483969040 /nfs/dbraw/zinc/96/90/40/483969040.db2.gz YVQFFOPQCJMUEG-UHFFFAOYSA-N 0 3 350.423 -0.584 20 0 FBADHN CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CCO1 ZINC000427874532 484450587 /nfs/dbraw/zinc/45/05/87/484450587.db2.gz HQPGLRYWLKXSRA-AWEZNQCLSA-N 0 3 366.466 -0.390 20 0 FBADHN CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CCO1 ZINC000427874535 484444188 /nfs/dbraw/zinc/44/41/88/484444188.db2.gz HQPGLRYWLKXSRA-CQSZACIVSA-N 0 3 366.466 -0.390 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3nnn(C)n3)c2)CC1 ZINC000427896793 483981611 /nfs/dbraw/zinc/98/16/11/483981611.db2.gz OZEIQZFFQZLDOQ-UHFFFAOYSA-N 0 3 372.433 -0.393 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cnc21 ZINC000427924881 483987931 /nfs/dbraw/zinc/98/79/31/483987931.db2.gz LJWQDDCELOSSGT-BXKDBHETSA-N 0 3 365.415 -0.593 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cnc21 ZINC000427924883 483987763 /nfs/dbraw/zinc/98/77/63/483987763.db2.gz LJWQDDCELOSSGT-CABZTGNLSA-N 0 3 365.415 -0.593 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cnc21 ZINC000427924884 483987916 /nfs/dbraw/zinc/98/79/16/483987916.db2.gz LJWQDDCELOSSGT-JOYOIKCWSA-N 0 3 365.415 -0.593 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cnc21 ZINC000427924886 483987600 /nfs/dbraw/zinc/98/76/00/483987600.db2.gz LJWQDDCELOSSGT-SKDRFNHKSA-N 0 3 365.415 -0.593 20 0 FBADHN C[C@H](CCCC[NH3+])NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000427934477 483990588 /nfs/dbraw/zinc/99/05/88/483990588.db2.gz VGTVFVXBRURXIV-SECBINFHSA-N 0 3 355.420 -0.170 20 0 FBADHN C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000427934480 483990266 /nfs/dbraw/zinc/99/02/66/483990266.db2.gz VGTVFVXBRURXIV-VIFPVBQESA-N 0 3 355.420 -0.170 20 0 FBADHN COCCN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CCOC1 ZINC000427935121 484318890 /nfs/dbraw/zinc/31/88/90/484318890.db2.gz XLLZQLRCJZFPFC-CYBMUJFWSA-N 0 3 353.423 -0.353 20 0 FBADHN COCCN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CCOC1 ZINC000427935123 484319179 /nfs/dbraw/zinc/31/91/79/484319179.db2.gz XLLZQLRCJZFPFC-ZDUSSCGKSA-N 0 3 353.423 -0.353 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NCc2nnn(C)n2)c(OCCN(C)C)c1 ZINC000427935332 483990897 /nfs/dbraw/zinc/99/08/97/483990897.db2.gz YAPYFZBKIZXONP-UHFFFAOYSA-N 0 3 361.406 -0.286 20 0 FBADHN Cc1c(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000427944109 483991550 /nfs/dbraw/zinc/99/15/50/483991550.db2.gz CVUQKTGLKBCDCN-LLVKDONJSA-N 0 3 355.386 -0.157 20 0 FBADHN Cc1c(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000427944111 483992055 /nfs/dbraw/zinc/99/20/55/483992055.db2.gz CVUQKTGLKBCDCN-NSHDSACASA-N 0 3 355.386 -0.157 20 0 FBADHN Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c2)n1 ZINC000428075799 483930025 /nfs/dbraw/zinc/93/00/25/483930025.db2.gz RLTLGHKTCYNNIS-INIZCTEOSA-N 0 3 374.445 -0.080 20 0 FBADHN Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c2)n1 ZINC000428075800 483929635 /nfs/dbraw/zinc/92/96/35/483929635.db2.gz RLTLGHKTCYNNIS-MRXNPFEDSA-N 0 3 374.445 -0.080 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN1CCN(CC)CC1 ZINC000428077371 483945775 /nfs/dbraw/zinc/94/57/75/483945775.db2.gz LEBNCRAJKOTMBD-KBPBESRZSA-N 0 3 356.467 -0.414 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCN1CCN(CC)CC1 ZINC000428077374 483945444 /nfs/dbraw/zinc/94/54/44/483945444.db2.gz LEBNCRAJKOTMBD-KGLIPLIRSA-N 0 3 356.467 -0.414 20 0 FBADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCN1CCN(CC)CC1 ZINC000428077375 483946434 /nfs/dbraw/zinc/94/64/34/483946434.db2.gz LEBNCRAJKOTMBD-UONOGXRCSA-N 0 3 356.467 -0.414 20 0 FBADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCN1CCN(CC)CC1 ZINC000428077377 483945271 /nfs/dbraw/zinc/94/52/71/483945271.db2.gz LEBNCRAJKOTMBD-ZIAGYGMSSA-N 0 3 356.467 -0.414 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000428096552 484025016 /nfs/dbraw/zinc/02/50/16/484025016.db2.gz ZHOLBXLGWPXFLB-AWEZNQCLSA-N 0 3 368.478 -0.508 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000428096553 484023911 /nfs/dbraw/zinc/02/39/11/484023911.db2.gz ZHOLBXLGWPXFLB-CQSZACIVSA-N 0 3 368.478 -0.508 20 0 FBADHN Cn1ncc2c1ncn(CC(=O)NCCCNCc1cccnc1)c2=O ZINC000428109741 484073531 /nfs/dbraw/zinc/07/35/31/484073531.db2.gz CYDLIKAVZNQVJY-UHFFFAOYSA-N 0 3 355.402 -0.179 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[NH2+]C2)s1 ZINC000428123960 484079641 /nfs/dbraw/zinc/07/96/41/484079641.db2.gz YQGIQTUHQDPBTE-LLVKDONJSA-N 0 3 374.488 -0.469 20 0 FBADHN NS(=O)(=O)N1CCC(C(=O)NCCCNCc2cccnc2)CC1 ZINC000428124198 484079845 /nfs/dbraw/zinc/07/98/45/484079845.db2.gz YZDJMBXXGBJXMY-UHFFFAOYSA-N 0 3 355.464 -0.407 20 0 FBADHN C[NH2+]CCCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000428128929 484079576 /nfs/dbraw/zinc/07/95/76/484079576.db2.gz DDRWIZYLWMXFCZ-UHFFFAOYSA-N 0 3 362.477 -0.612 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000428144856 484645247 /nfs/dbraw/zinc/64/52/47/484645247.db2.gz YVNDPKROESALQS-UHFFFAOYSA-N 0 3 366.447 -0.611 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000428179892 483897459 /nfs/dbraw/zinc/89/74/59/483897459.db2.gz YYYQPHKMIXQZTA-UHFFFAOYSA-N 0 3 373.501 -0.306 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000428188411 485340485 /nfs/dbraw/zinc/34/04/85/485340485.db2.gz ZROHDFTYGCQYGP-UHFFFAOYSA-N 0 3 360.462 -0.663 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000428197302 485340458 /nfs/dbraw/zinc/34/04/58/485340458.db2.gz HNJWJJAFYUQSME-UHFFFAOYSA-N 0 3 374.489 -0.516 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000428198058 485340638 /nfs/dbraw/zinc/34/06/38/485340638.db2.gz XTCZOFAMGSLKIF-UHFFFAOYSA-N 0 3 373.501 -0.062 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000428199713 485340842 /nfs/dbraw/zinc/34/08/42/485340842.db2.gz OELZBVCXUUTEMZ-UHFFFAOYSA-N 0 3 373.501 -0.062 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000428213997 485341384 /nfs/dbraw/zinc/34/13/84/485341384.db2.gz XEUSNRPHBHEPRL-UHFFFAOYSA-N 0 3 352.479 -0.088 20 0 FBADHN CCN(CCNC(=O)NCCNS(=O)(=O)Cc1ccon1)C1CC1 ZINC000428291217 485341367 /nfs/dbraw/zinc/34/13/67/485341367.db2.gz ZQMRXKHVPLYTSD-UHFFFAOYSA-N 0 3 359.452 -0.123 20 0 FBADHN C[NH2+][C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000428408404 483943327 /nfs/dbraw/zinc/94/33/27/483943327.db2.gz JYUGCUWZYYKTKM-LLVKDONJSA-N 0 3 374.488 -0.517 20 0 FBADHN C[NH2+][C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000428408408 483942163 /nfs/dbraw/zinc/94/21/63/483942163.db2.gz JYUGCUWZYYKTKM-NSHDSACASA-N 0 3 374.488 -0.517 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCCNCC2)s1 ZINC000428418348 485341724 /nfs/dbraw/zinc/34/17/24/485341724.db2.gz AWUFZQJFXQEPIS-UHFFFAOYSA-N 0 3 374.488 -0.516 20 0 FBADHN NC(=O)CC[C@@H](C(=O)N1CCCNCC1)N1C(=O)c2ccccc2C1=O ZINC000428434718 485341601 /nfs/dbraw/zinc/34/16/01/485341601.db2.gz AXYUNFTUFQUTAR-AWEZNQCLSA-N 0 3 358.398 -0.261 20 0 FBADHN NC(=O)CC[C@H](C(=O)N1CCCNCC1)N1C(=O)c2ccccc2C1=O ZINC000428434721 485341730 /nfs/dbraw/zinc/34/17/30/485341730.db2.gz AXYUNFTUFQUTAR-CQSZACIVSA-N 0 3 358.398 -0.261 20 0 FBADHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCCNCC2)cc1 ZINC000428441198 483893601 /nfs/dbraw/zinc/89/36/01/483893601.db2.gz PEWPOIUJWYAZKF-UHFFFAOYSA-N 0 3 353.444 -0.016 20 0 FBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCCNCC1 ZINC000428445124 485341774 /nfs/dbraw/zinc/34/17/74/485341774.db2.gz XTGFGIFTUYPDDA-ILXRZTDVSA-N 0 3 371.503 -0.082 20 0 FBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCNCC1 ZINC000428445130 485341759 /nfs/dbraw/zinc/34/17/59/485341759.db2.gz XTGFGIFTUYPDDA-KFWWJZLASA-N 0 3 371.503 -0.082 20 0 FBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CCCNCC1 ZINC000428445132 485341801 /nfs/dbraw/zinc/34/18/01/485341801.db2.gz XTGFGIFTUYPDDA-QLFBSQMISA-N 0 3 371.503 -0.082 20 0 FBADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCCNCC1 ZINC000428445133 485341847 /nfs/dbraw/zinc/34/18/47/485341847.db2.gz XTGFGIFTUYPDDA-RBSFLKMASA-N 0 3 371.503 -0.082 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1=O ZINC000428555824 485343027 /nfs/dbraw/zinc/34/30/27/485343027.db2.gz ZUQPOQRSXVURAG-CYBMUJFWSA-N 0 3 360.370 -0.388 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1=O ZINC000428555825 485342771 /nfs/dbraw/zinc/34/27/71/485342771.db2.gz ZUQPOQRSXVURAG-ZDUSSCGKSA-N 0 3 360.370 -0.388 20 0 FBADHN COCCN1CCC(NC(=O)NCCNS(=O)(=O)NC(C)C)CC1 ZINC000428557117 485342879 /nfs/dbraw/zinc/34/28/79/485342879.db2.gz BHEUKWOLPVSUAW-UHFFFAOYSA-N 0 3 365.500 -0.771 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)NC(C)C ZINC000428563831 485343150 /nfs/dbraw/zinc/34/31/50/485343150.db2.gz CXYVKWWGDRODBS-CYBMUJFWSA-N 0 3 365.500 -0.771 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NCCNS(=O)(=O)NC(C)C ZINC000428563832 485343124 /nfs/dbraw/zinc/34/31/24/485343124.db2.gz CXYVKWWGDRODBS-ZDUSSCGKSA-N 0 3 365.500 -0.771 20 0 FBADHN CNCc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000428573598 485342938 /nfs/dbraw/zinc/34/29/38/485342938.db2.gz LETCPBYFBGWRQX-UHFFFAOYSA-N 0 3 356.386 -0.208 20 0 FBADHN CCN1CCN(CC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000428625242 485344234 /nfs/dbraw/zinc/34/42/34/485344234.db2.gz JPSRXIPGNVQOHF-INIZCTEOSA-N 0 3 351.495 -0.706 20 0 FBADHN CCN1CCN(CC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000428625247 485344617 /nfs/dbraw/zinc/34/46/17/485344617.db2.gz JPSRXIPGNVQOHF-MRXNPFEDSA-N 0 3 351.495 -0.706 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000428630168 483986590 /nfs/dbraw/zinc/98/65/90/483986590.db2.gz OPVADXDCOUQNSS-KRWDZBQOSA-N 0 3 365.522 -0.316 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000428630178 483986790 /nfs/dbraw/zinc/98/67/90/483986790.db2.gz OPVADXDCOUQNSS-QGZVFWFLSA-N 0 3 365.522 -0.316 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428689119 485345017 /nfs/dbraw/zinc/34/50/17/485345017.db2.gz BKRWWDILSIGSQI-KRWDZBQOSA-N 0 3 369.487 -0.027 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428689120 485345126 /nfs/dbraw/zinc/34/51/26/485345126.db2.gz BKRWWDILSIGSQI-QGZVFWFLSA-N 0 3 369.487 -0.027 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000428705790 485345135 /nfs/dbraw/zinc/34/51/35/485345135.db2.gz DCACQFMNTLIWNT-AWEZNQCLSA-N 0 3 351.451 -0.195 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000428705813 485345144 /nfs/dbraw/zinc/34/51/44/485345144.db2.gz DCACQFMNTLIWNT-CQSZACIVSA-N 0 3 351.451 -0.195 20 0 FBADHN CNC(=O)[C@@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)C(C)C ZINC000428744397 485345233 /nfs/dbraw/zinc/34/52/33/485345233.db2.gz ZGKNKDVUTSYROQ-HNNXBMFYSA-N 0 3 355.483 -0.001 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([NH3+])C2)s1 ZINC000428783364 485345664 /nfs/dbraw/zinc/34/56/64/485345664.db2.gz JWVKHTJUZHYBCY-LLVKDONJSA-N 0 3 374.488 -0.388 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([NH3+])C2)s1 ZINC000428783367 485346041 /nfs/dbraw/zinc/34/60/41/485346041.db2.gz JWVKHTJUZHYBCY-NSHDSACASA-N 0 3 374.488 -0.388 20 0 FBADHN CN(CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428799870 485345937 /nfs/dbraw/zinc/34/59/37/485345937.db2.gz BRIWLUDABFHYLW-SECBINFHSA-N 0 3 374.385 -0.270 20 0 FBADHN CN(CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428799873 485345992 /nfs/dbraw/zinc/34/59/92/485345992.db2.gz BRIWLUDABFHYLW-VIFPVBQESA-N 0 3 374.385 -0.270 20 0 FBADHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cn(CCO)c(=O)[nH]c1=O ZINC000428821792 485345873 /nfs/dbraw/zinc/34/58/73/485345873.db2.gz MGUHWFFQUKRGTN-AWEZNQCLSA-N 0 3 374.397 -0.240 20 0 FBADHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cn(CCO)c(=O)[nH]c1=O ZINC000428821793 485345970 /nfs/dbraw/zinc/34/59/70/485345970.db2.gz MGUHWFFQUKRGTN-CQSZACIVSA-N 0 3 374.397 -0.240 20 0 FBADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000428825889 485345597 /nfs/dbraw/zinc/34/55/97/485345597.db2.gz FRABFGOICGCGON-CYBMUJFWSA-N 0 3 367.541 -0.445 20 0 FBADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000428825890 485345724 /nfs/dbraw/zinc/34/57/24/485345724.db2.gz FRABFGOICGCGON-ZDUSSCGKSA-N 0 3 367.541 -0.445 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000428839384 485345737 /nfs/dbraw/zinc/34/57/37/485345737.db2.gz JVQUYAHDTYYDQH-DZGCQCFKSA-N 0 3 365.478 -0.008 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000428839385 485346006 /nfs/dbraw/zinc/34/60/06/485346006.db2.gz JVQUYAHDTYYDQH-HIFRSBDPSA-N 0 3 365.478 -0.008 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000428839387 485345844 /nfs/dbraw/zinc/34/58/44/485345844.db2.gz JVQUYAHDTYYDQH-UKRRQHHQSA-N 0 3 365.478 -0.008 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000428839389 485345907 /nfs/dbraw/zinc/34/59/07/485345907.db2.gz JVQUYAHDTYYDQH-ZFWWWQNUSA-N 0 3 365.478 -0.008 20 0 FBADHN CCN(CC(=O)N1CCN(C(=O)CN(CC)[C@H](C)CO)CC1)[C@H](C)CO ZINC000428842100 485346617 /nfs/dbraw/zinc/34/66/17/485346617.db2.gz RTEJNDHVUBXAMZ-HZPDHXFCSA-N 0 3 372.510 -0.937 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000428848209 484197069 /nfs/dbraw/zinc/19/70/69/484197069.db2.gz XWPWXTKHUOHPRX-GFCCVEGCSA-N 0 3 358.468 -0.010 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000428848211 484196472 /nfs/dbraw/zinc/19/64/72/484196472.db2.gz XWPWXTKHUOHPRX-LBPRGKRZSA-N 0 3 358.468 -0.010 20 0 FBADHN CN(C)CCOc1cc(C(=O)NCC2CN(S(C)(=O)=O)C2)ccn1 ZINC000428885106 485346325 /nfs/dbraw/zinc/34/63/25/485346325.db2.gz ZHKWHOSJFSBQET-UHFFFAOYSA-N 0 3 356.448 -0.357 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC(C)(C)C[NH3+])s1 ZINC000428891439 485346205 /nfs/dbraw/zinc/34/62/05/485346205.db2.gz HISRSPKPRFPKFA-UHFFFAOYSA-N 0 3 362.477 -0.484 20 0 FBADHN CNC(=O)[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C(C)C ZINC000428966343 485346997 /nfs/dbraw/zinc/34/69/97/485346997.db2.gz JEGJSOGNLWECNS-KBPBESRZSA-N 0 3 355.483 -0.001 20 0 FBADHN CNC(=O)[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C(C)C ZINC000428966344 485347004 /nfs/dbraw/zinc/34/70/04/485347004.db2.gz JEGJSOGNLWECNS-KGLIPLIRSA-N 0 3 355.483 -0.001 20 0 FBADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cn(CC(N)=O)nn1 ZINC000428983071 485346875 /nfs/dbraw/zinc/34/68/75/485346875.db2.gz UTHPIJFHJXTKBA-GOSISDBHSA-N 0 3 372.429 -0.528 20 0 FBADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cn(CC(N)=O)nn1 ZINC000428983072 485347134 /nfs/dbraw/zinc/34/71/34/485347134.db2.gz UTHPIJFHJXTKBA-SFHVURJKSA-N 0 3 372.429 -0.528 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cn1C ZINC000428994505 485347542 /nfs/dbraw/zinc/34/75/42/485347542.db2.gz PKCXQQLJWOVRFN-AAEUAGOBSA-N 0 3 357.480 -0.099 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cn1C ZINC000428994508 485347682 /nfs/dbraw/zinc/34/76/82/485347682.db2.gz PKCXQQLJWOVRFN-DGCLKSJQSA-N 0 3 357.480 -0.099 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cn1C ZINC000428994512 485347504 /nfs/dbraw/zinc/34/75/04/485347504.db2.gz PKCXQQLJWOVRFN-WCQYABFASA-N 0 3 357.480 -0.099 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cn1C ZINC000428994514 485347529 /nfs/dbraw/zinc/34/75/29/485347529.db2.gz PKCXQQLJWOVRFN-YPMHNXCESA-N 0 3 357.480 -0.099 20 0 FBADHN Cn1ncc2c1ncn(CC(=O)Nc1ccc(N3CCNCC3)cn1)c2=O ZINC000429031052 485347979 /nfs/dbraw/zinc/34/79/79/485347979.db2.gz UCEOXSPIGQHJGG-UHFFFAOYSA-N 0 3 368.401 -0.427 20 0 FBADHN Cc1nnc(CN(C)CC(=O)Nc2ccc(N3CCNCC3)cn2)n1C ZINC000429032836 485348191 /nfs/dbraw/zinc/34/81/91/485348191.db2.gz XCUYIJAKGZRLTP-UHFFFAOYSA-N 0 3 358.450 -0.001 20 0 FBADHN CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000429043433 485348133 /nfs/dbraw/zinc/34/81/33/485348133.db2.gz HXUBRQSKALOKDN-UHFFFAOYSA-N 0 3 362.434 -0.538 20 0 FBADHN CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)nn1 ZINC000429049392 485348093 /nfs/dbraw/zinc/34/80/93/485348093.db2.gz UZWGDYSXMFRUFW-UHFFFAOYSA-N 0 3 358.406 -0.577 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[C@@H](C)[NH3+])s1 ZINC000429056708 485348258 /nfs/dbraw/zinc/34/82/58/485348258.db2.gz YLCKITGYEBMTQG-SECBINFHSA-N 0 3 362.477 -0.484 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[C@H](C)[NH3+])s1 ZINC000429056709 485348072 /nfs/dbraw/zinc/34/80/72/485348072.db2.gz YLCKITGYEBMTQG-VIFPVBQESA-N 0 3 362.477 -0.484 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CCC[NH2+]2)s1 ZINC000429089815 485348733 /nfs/dbraw/zinc/34/87/33/485348733.db2.gz ZQRGAYWBVRKRLE-LLVKDONJSA-N 0 3 374.488 -0.469 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCC[NH2+]2)s1 ZINC000429089817 485348662 /nfs/dbraw/zinc/34/86/62/485348662.db2.gz ZQRGAYWBVRKRLE-NSHDSACASA-N 0 3 374.488 -0.469 20 0 FBADHN Cn1c2c(ccn2CC(=O)NC[C@H](N)c2ccccc2)c(=O)n(C)c1=O ZINC000429100365 485348882 /nfs/dbraw/zinc/34/88/82/485348882.db2.gz POJQXTIWRUWBMI-AWEZNQCLSA-N 0 3 355.398 -0.145 20 0 FBADHN Cn1c2c(ccn2CC(=O)NC[C@@H](N)c2ccccc2)c(=O)n(C)c1=O ZINC000429100366 485348629 /nfs/dbraw/zinc/34/86/29/485348629.db2.gz POJQXTIWRUWBMI-CQSZACIVSA-N 0 3 355.398 -0.145 20 0 FBADHN CC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000429104868 485349309 /nfs/dbraw/zinc/34/93/09/485349309.db2.gz RYLSBZWXXVMUCR-UHFFFAOYSA-N 0 3 362.477 -0.612 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](N)c1ccccc1 ZINC000429111150 485349045 /nfs/dbraw/zinc/34/90/45/485349045.db2.gz FVACMUJGSFIFJJ-AWEZNQCLSA-N 0 3 370.475 -0.363 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](N)c1ccccc1 ZINC000429111151 485349466 /nfs/dbraw/zinc/34/94/66/485349466.db2.gz FVACMUJGSFIFJJ-CQSZACIVSA-N 0 3 370.475 -0.363 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](N)c2ccccc2)cn1C ZINC000429113607 485349400 /nfs/dbraw/zinc/34/94/00/485349400.db2.gz KVDKNDDVPKHLGP-CYBMUJFWSA-N 0 3 351.432 -0.177 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](N)c2ccccc2)cn1C ZINC000429113610 485349355 /nfs/dbraw/zinc/34/93/55/485349355.db2.gz KVDKNDDVPKHLGP-ZDUSSCGKSA-N 0 3 351.432 -0.177 20 0 FBADHN N[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 ZINC000429114075 485349285 /nfs/dbraw/zinc/34/92/85/485349285.db2.gz YQVIDZMCIRXYLD-QLFBSQMISA-N 0 3 365.455 -0.162 20 0 FBADHN N[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 ZINC000429114077 485349412 /nfs/dbraw/zinc/34/94/12/485349412.db2.gz YQVIDZMCIRXYLD-RBSFLKMASA-N 0 3 365.455 -0.162 20 0 FBADHN N[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 ZINC000429114080 485349315 /nfs/dbraw/zinc/34/93/15/485349315.db2.gz YQVIDZMCIRXYLD-RRFJBIMHSA-N 0 3 365.455 -0.162 20 0 FBADHN N[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 ZINC000429114082 485349508 /nfs/dbraw/zinc/34/95/08/485349508.db2.gz YQVIDZMCIRXYLD-SOUVJXGZSA-N 0 3 365.455 -0.162 20 0 FBADHN O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCCNc1ccncc1 ZINC000429119522 484218147 /nfs/dbraw/zinc/21/81/47/484218147.db2.gz ZPVQIGKAVVXTDK-UHFFFAOYSA-N 0 3 369.385 0.427 20 0 FBADHN CCCn1c(N)c(C(=O)CN2CC[C@@H](N(C)CCO)[C@H]2C)c(=O)[nH]c1=O ZINC000429181372 485350477 /nfs/dbraw/zinc/35/04/77/485350477.db2.gz KOXJKYJTNAFEKV-VXGBXAGGSA-N 0 3 367.450 -0.489 20 0 FBADHN NS(=O)(=O)c1ccc(NC[C@H](O)CN2CCc3ccccc3C2)nc1 ZINC000429200597 484209468 /nfs/dbraw/zinc/20/94/68/484209468.db2.gz HIHRAWRWGFQFDZ-HNNXBMFYSA-N 0 3 362.455 0.560 20 0 FBADHN NS(=O)(=O)c1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)nc1 ZINC000429200598 484208800 /nfs/dbraw/zinc/20/88/00/484208800.db2.gz HIHRAWRWGFQFDZ-OAHLLOKOSA-N 0 3 362.455 0.560 20 0 FBADHN COCCN(CCN(C)C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429202158 485351334 /nfs/dbraw/zinc/35/13/34/485351334.db2.gz TYZLFCLVZGYBGR-UHFFFAOYSA-N 0 3 353.489 -0.962 20 0 FBADHN CCN1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429206377 485351523 /nfs/dbraw/zinc/35/15/23/485351523.db2.gz NJSARMQBQRUVHH-UHFFFAOYSA-N 0 3 359.452 -0.123 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000429214484 483993673 /nfs/dbraw/zinc/99/36/73/483993673.db2.gz GYJYLIVGJKVPSS-UHFFFAOYSA-N 0 3 355.464 -0.281 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000429226409 485352479 /nfs/dbraw/zinc/35/24/79/485352479.db2.gz KURIATLHTSVAGG-HNNXBMFYSA-N 0 3 360.458 -0.319 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000429226410 485352536 /nfs/dbraw/zinc/35/25/36/485352536.db2.gz KURIATLHTSVAGG-OAHLLOKOSA-N 0 3 360.458 -0.319 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429230310 484108449 /nfs/dbraw/zinc/10/84/49/484108449.db2.gz WHAFLNNAFVRPEZ-INIZCTEOSA-N 0 3 364.406 -0.189 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429230311 484108307 /nfs/dbraw/zinc/10/83/07/484108307.db2.gz WHAFLNNAFVRPEZ-MRXNPFEDSA-N 0 3 364.406 -0.189 20 0 FBADHN CN(CCN1CCCC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429302944 485354339 /nfs/dbraw/zinc/35/43/39/485354339.db2.gz APBRJZYCRNMBHY-UHFFFAOYSA-N 0 3 359.452 -0.169 20 0 FBADHN C[C@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)N(C)C1CC1 ZINC000429304891 485354300 /nfs/dbraw/zinc/35/43/00/485354300.db2.gz HPLNLHFAEJZPDF-LLVKDONJSA-N 0 3 359.452 -0.124 20 0 FBADHN C[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)N(C)C1CC1 ZINC000429304893 485353975 /nfs/dbraw/zinc/35/39/75/485353975.db2.gz HPLNLHFAEJZPDF-NSHDSACASA-N 0 3 359.452 -0.124 20 0 FBADHN O=C(NCCNS(=O)(=O)Cc1ccon1)N[C@@H]1CCN(C2CC2)C1 ZINC000429304895 485354139 /nfs/dbraw/zinc/35/41/39/485354139.db2.gz HPVXYZWITDSTNE-LLVKDONJSA-N 0 3 357.436 -0.370 20 0 FBADHN O=C(NCCNS(=O)(=O)Cc1ccon1)N[C@H]1CCN(C2CC2)C1 ZINC000429304905 485354181 /nfs/dbraw/zinc/35/41/81/485354181.db2.gz HPVXYZWITDSTNE-NSHDSACASA-N 0 3 357.436 -0.370 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000429310821 484233316 /nfs/dbraw/zinc/23/33/16/484233316.db2.gz AZDIHFMAQINWNM-UHFFFAOYSA-N 0 3 366.466 0.546 20 0 FBADHN CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1CCN(C2CC2)C1 ZINC000429315164 485354320 /nfs/dbraw/zinc/35/43/20/485354320.db2.gz XLCLKQJCJADPFA-AWEZNQCLSA-N 0 3 371.463 -0.028 20 0 FBADHN CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CCN(C2CC2)C1 ZINC000429315169 485354279 /nfs/dbraw/zinc/35/42/79/485354279.db2.gz XLCLKQJCJADPFA-CQSZACIVSA-N 0 3 371.463 -0.028 20 0 FBADHN O=C(NCCNc1ccncc1)NCCNS(=O)(=O)Cc1ccon1 ZINC000429315655 485353944 /nfs/dbraw/zinc/35/39/44/485353944.db2.gz XXXLBAWHOZMLPO-UHFFFAOYSA-N 0 3 368.419 -0.678 20 0 FBADHN CN(CCCNC(=O)CN[C@@H]1Cc2cccc(O)c2C1)S(C)(=O)=O ZINC000429317676 485354788 /nfs/dbraw/zinc/35/47/88/485354788.db2.gz ZQRYSJOQPPLPHL-CYBMUJFWSA-N 0 3 355.460 -0.153 20 0 FBADHN CN(CCCNC(=O)CN[C@H]1Cc2cccc(O)c2C1)S(C)(=O)=O ZINC000429317678 485355043 /nfs/dbraw/zinc/35/50/43/485355043.db2.gz ZQRYSJOQPPLPHL-ZDUSSCGKSA-N 0 3 355.460 -0.153 20 0 FBADHN CN(C)CCOCCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429320649 484092473 /nfs/dbraw/zinc/09/24/73/484092473.db2.gz YLRLGDHDJKYGNY-UHFFFAOYSA-N 0 3 364.406 0.077 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000429323445 485354801 /nfs/dbraw/zinc/35/48/01/485354801.db2.gz WIAUPTYSEGRFEC-CYBMUJFWSA-N 0 3 359.452 -0.170 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000429323446 485354671 /nfs/dbraw/zinc/35/46/71/485354671.db2.gz WIAUPTYSEGRFEC-ZDUSSCGKSA-N 0 3 359.452 -0.170 20 0 FBADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000429323772 485354600 /nfs/dbraw/zinc/35/46/00/485354600.db2.gz AGQQWXSGUYALJS-RYUDHWBXSA-N 0 3 367.431 -0.205 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)CNCC3)c(=O)n2C ZINC000429329076 485354960 /nfs/dbraw/zinc/35/49/60/485354960.db2.gz MXNPZWXCIDDPKU-UHFFFAOYSA-N 0 3 368.397 -0.282 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)[C@H](C)C[NH3+])s1 ZINC000429332995 485354902 /nfs/dbraw/zinc/35/49/02/485354902.db2.gz QKNYJRSGSRLELI-SECBINFHSA-N 0 3 362.477 -0.532 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)[C@@H](C)C[NH3+])s1 ZINC000429333000 484648038 /nfs/dbraw/zinc/64/80/38/484648038.db2.gz QKNYJRSGSRLELI-VIFPVBQESA-N 0 3 362.477 -0.532 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429338444 485355073 /nfs/dbraw/zinc/35/50/73/485355073.db2.gz XQCIZHGNOQFKHZ-CYBMUJFWSA-N 0 3 359.452 -0.123 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429338446 485354999 /nfs/dbraw/zinc/35/49/99/485354999.db2.gz XQCIZHGNOQFKHZ-ZDUSSCGKSA-N 0 3 359.452 -0.123 20 0 FBADHN CNC(=O)[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000429379124 485356018 /nfs/dbraw/zinc/35/60/18/485356018.db2.gz RDGVJIJXTDTPBZ-HNNXBMFYSA-N 0 3 353.467 -0.293 20 0 FBADHN COC(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)ccn1 ZINC000429387262 485355603 /nfs/dbraw/zinc/35/56/03/485355603.db2.gz LCZLEPJZKVWCCY-UHFFFAOYSA-N 0 3 374.401 -0.005 20 0 FBADHN CCN(CCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C1CC1 ZINC000429397103 485355876 /nfs/dbraw/zinc/35/58/76/485355876.db2.gz DNAOKUPJVIINPS-UHFFFAOYSA-N 0 3 350.423 -0.490 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)N(C)C1CC1 ZINC000429403598 485355356 /nfs/dbraw/zinc/35/53/56/485355356.db2.gz OSQXTAMEHVHLNV-LLVKDONJSA-N 0 3 350.423 -0.491 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)N(C)C1CC1 ZINC000429403601 485355481 /nfs/dbraw/zinc/35/54/81/485355481.db2.gz OSQXTAMEHVHLNV-NSHDSACASA-N 0 3 350.423 -0.491 20 0 FBADHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000429410044 485355887 /nfs/dbraw/zinc/35/58/87/485355887.db2.gz QBXGDMDXHJJCJI-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000429410047 485355471 /nfs/dbraw/zinc/35/54/71/485355471.db2.gz QBXGDMDXHJJCJI-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000429422172 485356202 /nfs/dbraw/zinc/35/62/02/485356202.db2.gz GSZBIAQOLNNWGD-AWEZNQCLSA-N 0 3 365.478 -0.008 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000429422173 485356588 /nfs/dbraw/zinc/35/65/88/485356588.db2.gz GSZBIAQOLNNWGD-CQSZACIVSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(C)NS(=O)(=O)NCCN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000429433407 485356514 /nfs/dbraw/zinc/35/65/14/485356514.db2.gz YEKALYUKIFFADS-LLVKDONJSA-N 0 3 364.493 -0.183 20 0 FBADHN CC(C)NS(=O)(=O)NCCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000429433408 485356443 /nfs/dbraw/zinc/35/64/43/485356443.db2.gz YEKALYUKIFFADS-NSHDSACASA-N 0 3 364.493 -0.183 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000429439114 485356245 /nfs/dbraw/zinc/35/62/45/485356245.db2.gz AZBAMBIXHUYONU-AWEZNQCLSA-N 0 3 365.478 -0.055 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000429439115 485356474 /nfs/dbraw/zinc/35/64/74/485356474.db2.gz AZBAMBIXHUYONU-CQSZACIVSA-N 0 3 365.478 -0.055 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000429439354 485356399 /nfs/dbraw/zinc/35/63/99/485356399.db2.gz DBEBPDHIFJGSEX-HNNXBMFYSA-N 0 3 367.494 -0.561 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000429439355 485356598 /nfs/dbraw/zinc/35/65/98/485356598.db2.gz DBEBPDHIFJGSEX-OAHLLOKOSA-N 0 3 367.494 -0.561 20 0 FBADHN CC(C)N1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000429497138 485357710 /nfs/dbraw/zinc/35/77/10/485357710.db2.gz ZKQZXQNTTRUNRX-INIZCTEOSA-N 0 3 369.510 -0.315 20 0 FBADHN CC(C)N1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000429497139 485357626 /nfs/dbraw/zinc/35/76/26/485357626.db2.gz ZKQZXQNTTRUNRX-MRXNPFEDSA-N 0 3 369.510 -0.315 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC([NH2+]CC3CC3)CC2)cn1C ZINC000429567210 485358388 /nfs/dbraw/zinc/35/83/88/485358388.db2.gz NALMLQIVRNFTMT-UHFFFAOYSA-N 0 3 369.491 -0.003 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C[NH3+])C2CC2)s1 ZINC000429574662 485358234 /nfs/dbraw/zinc/35/82/34/485358234.db2.gz RWECDXBHGQXFHY-GFCCVEGCSA-N 0 3 374.488 -0.484 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C[NH3+])C2CC2)s1 ZINC000429574863 485358416 /nfs/dbraw/zinc/35/84/16/485358416.db2.gz RWECDXBHGQXFHY-LBPRGKRZSA-N 0 3 374.488 -0.484 20 0 FBADHN O=C(COC1CNC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000429591022 485358094 /nfs/dbraw/zinc/35/80/94/485358094.db2.gz ISUXOVKQMIPEJN-UHFFFAOYSA-N 0 3 355.416 -0.366 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)[NH3+])s1 ZINC000429625552 485358781 /nfs/dbraw/zinc/35/87/81/485358781.db2.gz CVBZSBSOQDTYTD-UHFFFAOYSA-N 0 3 362.477 -0.484 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC(OCCC[NH3+])CC2)cn1C ZINC000429628175 485358953 /nfs/dbraw/zinc/35/89/53/485358953.db2.gz RWNYXNBOLCPMDV-UHFFFAOYSA-N 0 3 373.479 -0.637 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000429662714 485358661 /nfs/dbraw/zinc/35/86/61/485358661.db2.gz RUSQZVRYLFHZFY-LLVKDONJSA-N 0 3 374.488 -0.388 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2C[NH3+])s1 ZINC000429662716 485358822 /nfs/dbraw/zinc/35/88/22/485358822.db2.gz RUSQZVRYLFHZFY-NSHDSACASA-N 0 3 374.488 -0.388 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cnns2)CC1 ZINC000429667474 485358844 /nfs/dbraw/zinc/35/88/44/485358844.db2.gz KUSSKSYTIUGNCR-UHFFFAOYSA-N 0 3 352.420 -0.757 20 0 FBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000429668787 485359027 /nfs/dbraw/zinc/35/90/27/485359027.db2.gz RLLTYSOCVQHNFK-KRWDZBQOSA-N 0 3 365.522 -0.221 20 0 FBADHN C[C@H](C(=O)N1CCCC1)N1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000429668788 485358834 /nfs/dbraw/zinc/35/88/34/485358834.db2.gz RLLTYSOCVQHNFK-QGZVFWFLSA-N 0 3 365.522 -0.221 20 0 FBADHN CN1CCN(C(=O)CCN2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000429668901 485358533 /nfs/dbraw/zinc/35/85/33/485358533.db2.gz BEXKYLXACOEAQV-HNNXBMFYSA-N 0 3 360.524 -0.056 20 0 FBADHN CN1CCN(C(=O)CCN2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000429668902 485358725 /nfs/dbraw/zinc/35/87/25/485358725.db2.gz BEXKYLXACOEAQV-OAHLLOKOSA-N 0 3 360.524 -0.056 20 0 FBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000429670346 485358970 /nfs/dbraw/zinc/35/89/70/485358970.db2.gz GZFTUCZZXNQLNI-KBPBESRZSA-N 0 3 353.444 -0.509 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000429670350 485358944 /nfs/dbraw/zinc/35/89/44/485358944.db2.gz GZFTUCZZXNQLNI-KGLIPLIRSA-N 0 3 353.444 -0.509 20 0 FBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000429670353 485358912 /nfs/dbraw/zinc/35/89/12/485358912.db2.gz GZFTUCZZXNQLNI-UONOGXRCSA-N 0 3 353.444 -0.509 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000429670356 485358636 /nfs/dbraw/zinc/35/86/36/485358636.db2.gz GZFTUCZZXNQLNI-ZIAGYGMSSA-N 0 3 353.444 -0.509 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000429674374 485358685 /nfs/dbraw/zinc/35/86/85/485358685.db2.gz CWZXAXNXHITVFY-UHFFFAOYSA-N 0 3 360.524 -0.104 20 0 FBADHN COc1cc(OC)cc(C(=O)N2CCN(C(=O)COC3CNC3)CC2)c1 ZINC000429675172 485358906 /nfs/dbraw/zinc/35/89/06/485358906.db2.gz MGCXOEUHNBMEJT-UHFFFAOYSA-N 0 3 363.414 -0.023 20 0 FBADHN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCN3)CC2)C[C@H](C)O1 ZINC000429676085 485358591 /nfs/dbraw/zinc/35/85/91/485358591.db2.gz PJEKCODRJGUCJB-SOUVJXGZSA-N 0 3 374.507 -0.373 20 0 FBADHN O=S(=O)(Cc1ccon1)N1CCN(CCN2CCCOCC2)CC1 ZINC000429676813 485358976 /nfs/dbraw/zinc/35/89/76/485358976.db2.gz LKFDLVWQISEBMW-UHFFFAOYSA-N 0 3 358.464 -0.156 20 0 FBADHN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCN3)CC2)C[C@H](C)O1 ZINC000429679230 485358959 /nfs/dbraw/zinc/35/89/59/485358959.db2.gz PJEKCODRJGUCJB-KKUMJFAQSA-N 0 3 374.507 -0.373 20 0 FBADHN CCN(C1CCN(CCC(=O)N2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000429681726 484958333 /nfs/dbraw/zinc/95/83/33/484958333.db2.gz WWSDYHHTCNQWSQ-UHFFFAOYSA-N 0 3 360.524 -0.104 20 0 FBADHN CCN(CC)CC(=O)N1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000429685172 485359478 /nfs/dbraw/zinc/35/94/78/485359478.db2.gz VRYFFGZDDIGOFC-UHFFFAOYSA-N 0 3 353.511 -0.364 20 0 FBADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)COC2CNC2)CC1 ZINC000429687914 485359438 /nfs/dbraw/zinc/35/94/38/485359438.db2.gz VOVOUPJAAKCXQR-UHFFFAOYSA-N 0 3 351.378 -0.136 20 0 FBADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)COC2CNC2)CC1 ZINC000429690278 485359695 /nfs/dbraw/zinc/35/96/95/485359695.db2.gz HXPPKBFZCUGXJE-UHFFFAOYSA-N 0 3 374.507 -0.372 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC[C@H](O)COC1CCOCC1 ZINC000429720808 485359555 /nfs/dbraw/zinc/35/95/55/485359555.db2.gz QMIYTGMSYMTPTE-AEGPPILISA-N 0 3 350.481 -0.007 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC[C@@H](O)COC1CCOCC1 ZINC000429720809 485359596 /nfs/dbraw/zinc/35/95/96/485359596.db2.gz QMIYTGMSYMTPTE-BPLDGKMQSA-N 0 3 350.481 -0.007 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC[C@H](O)COC1CCOCC1 ZINC000429720810 485359648 /nfs/dbraw/zinc/35/96/48/485359648.db2.gz QMIYTGMSYMTPTE-NWANDNLSSA-N 0 3 350.481 -0.007 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC[C@@H](O)COC1CCOCC1 ZINC000429720811 484986195 /nfs/dbraw/zinc/98/61/95/484986195.db2.gz QMIYTGMSYMTPTE-VHDGCEQUSA-N 0 3 350.481 -0.007 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC(F)(F)F ZINC000429725868 485359539 /nfs/dbraw/zinc/35/95/39/485359539.db2.gz SPWZJVYADIEURU-BDAKNGLRSA-N 0 3 374.385 -0.176 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NC(=O)NCC(F)(F)F ZINC000429725869 485359448 /nfs/dbraw/zinc/35/94/48/485359448.db2.gz SPWZJVYADIEURU-DTWKUNHWSA-N 0 3 374.385 -0.176 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NC(=O)NCC(F)(F)F ZINC000429725870 485359643 /nfs/dbraw/zinc/35/96/43/485359643.db2.gz SPWZJVYADIEURU-IUCAKERBSA-N 0 3 374.385 -0.176 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC(F)(F)F ZINC000429725871 485359603 /nfs/dbraw/zinc/35/96/03/485359603.db2.gz SPWZJVYADIEURU-RKDXNWHRSA-N 0 3 374.385 -0.176 20 0 FBADHN O=C(COC1CNC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000429730936 485359483 /nfs/dbraw/zinc/35/94/83/485359483.db2.gz OMLXBJWGOYGMMR-UHFFFAOYSA-N 0 3 353.444 -0.351 20 0 FBADHN O=C(COC1CNC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000429738846 485359733 /nfs/dbraw/zinc/35/97/33/485359733.db2.gz PPCKLXFETZZEKP-UHFFFAOYSA-N 0 3 357.407 -0.353 20 0 FBADHN O=C(COC1CNC1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000429743999 485359575 /nfs/dbraw/zinc/35/95/75/485359575.db2.gz AFLHDILESHWYTC-UHFFFAOYSA-N 0 3 373.406 -0.227 20 0 FBADHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC1CNC1 ZINC000429764395 485359354 /nfs/dbraw/zinc/35/93/54/485359354.db2.gz ULMBENAZNKWUNR-UHFFFAOYSA-N 0 3 356.448 -0.070 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429764598 485359550 /nfs/dbraw/zinc/35/95/50/485359550.db2.gz IULBGIZIHKBCBJ-CHWSQXEVSA-N 0 3 354.432 -0.223 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429764599 485359434 /nfs/dbraw/zinc/35/94/34/485359434.db2.gz IULBGIZIHKBCBJ-OLZOCXBDSA-N 0 3 354.432 -0.223 20 0 FBADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429764600 485359630 /nfs/dbraw/zinc/35/96/30/485359630.db2.gz IULBGIZIHKBCBJ-QWHCGFSZSA-N 0 3 354.432 -0.223 20 0 FBADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429764601 485359360 /nfs/dbraw/zinc/35/93/60/485359360.db2.gz IULBGIZIHKBCBJ-STQMWFEESA-N 0 3 354.432 -0.223 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC2CNC2)CC1 ZINC000429771538 485359389 /nfs/dbraw/zinc/35/93/89/485359389.db2.gz HYLBTNPXUSCYJN-UHFFFAOYSA-N 0 3 358.420 -0.887 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429776818 485359939 /nfs/dbraw/zinc/35/99/39/485359939.db2.gz UMMTWNFHESSEDB-CHWSQXEVSA-N 0 3 354.432 -0.223 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429776819 485359987 /nfs/dbraw/zinc/35/99/87/485359987.db2.gz UMMTWNFHESSEDB-OLZOCXBDSA-N 0 3 354.432 -0.223 20 0 FBADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429776821 485360113 /nfs/dbraw/zinc/36/01/13/485360113.db2.gz UMMTWNFHESSEDB-QWHCGFSZSA-N 0 3 354.432 -0.223 20 0 FBADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429776823 485360107 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Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CCCCN3)CC2)cn1 ZINC000429997886 485361901 /nfs/dbraw/zinc/36/19/01/485361901.db2.gz SXSYLQIOQLSMEV-AWEZNQCLSA-N 0 3 355.464 -0.169 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CCCCN3)CC2)cn1 ZINC000429997887 485361971 /nfs/dbraw/zinc/36/19/71/485361971.db2.gz SXSYLQIOQLSMEV-CQSZACIVSA-N 0 3 355.464 -0.169 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccnn1-c1cc(C)ccn1 ZINC000430001718 485362039 /nfs/dbraw/zinc/36/20/39/485362039.db2.gz FCXFWKNFBSNSPJ-UHFFFAOYSA-N 0 3 360.418 -0.055 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000430014213 485362583 /nfs/dbraw/zinc/36/25/83/485362583.db2.gz ZUUUFRWMYVXDMY-AWEZNQCLSA-N 0 3 351.407 -0.551 20 0 FBADHN O=C(CNC[C@H]1CCCO1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000430014214 485362629 /nfs/dbraw/zinc/36/26/29/485362629.db2.gz ZUUUFRWMYVXDMY-CQSZACIVSA-N 0 3 351.407 -0.551 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000430017022 485362365 /nfs/dbraw/zinc/36/23/65/485362365.db2.gz ICBVPIZAUKXNSP-GFCCVEGCSA-N 0 3 370.431 -0.972 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C[C@H]2CNCCO2)c1 ZINC000430017026 485362487 /nfs/dbraw/zinc/36/24/87/485362487.db2.gz ICBVPIZAUKXNSP-LBPRGKRZSA-N 0 3 370.431 -0.972 20 0 FBADHN CC(C)C[C@H](NC(=O)C(=O)Nc1cnns1)C(=O)NCCN(C)C ZINC000430017169 485362577 /nfs/dbraw/zinc/36/25/77/485362577.db2.gz CQAOTABGJPZWGG-JTQLQIEISA-N 0 3 356.452 -0.315 20 0 FBADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N(CCO)CCO)cn2)CC1 ZINC000430019994 485362340 /nfs/dbraw/zinc/36/23/40/485362340.db2.gz YIYLDYDZLMSLTQ-UHFFFAOYSA-N 0 3 366.418 -0.694 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)COC2CNC2)c1 ZINC000430020957 485362561 /nfs/dbraw/zinc/36/25/61/485362561.db2.gz KXLQRYXAVJUBEE-JTQLQIEISA-N 0 3 370.431 -0.974 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)COC2CNC2)c1 ZINC000430020958 485362357 /nfs/dbraw/zinc/36/23/57/485362357.db2.gz KXLQRYXAVJUBEE-SNVBAGLBSA-N 0 3 370.431 -0.974 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CNCC2CC2)c1 ZINC000430022136 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PWWPJJQYWWYECJ-CYBMUJFWSA-N 0 3 353.467 -0.246 20 0 FBADHN CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430625202 483904852 /nfs/dbraw/zinc/90/48/52/483904852.db2.gz PWWPJJQYWWYECJ-ZDUSSCGKSA-N 0 3 353.467 -0.246 20 0 FBADHN CCCCNC(=O)NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430628512 483905445 /nfs/dbraw/zinc/90/54/45/483905445.db2.gz OTWSHZNXAQLZKL-AWEZNQCLSA-N 0 3 353.467 -0.244 20 0 FBADHN CCCCNC(=O)NC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430628514 483905539 /nfs/dbraw/zinc/90/55/39/483905539.db2.gz OTWSHZNXAQLZKL-CQSZACIVSA-N 0 3 353.467 -0.244 20 0 FBADHN CN(CCC(=O)N1CCN(c2ccccn2)CC1)CC(=O)N1CCNCC1 ZINC000430631621 483905232 /nfs/dbraw/zinc/90/52/32/483905232.db2.gz VMUAJHIPJKMQNH-UHFFFAOYSA-N 0 3 374.489 -0.516 20 0 FBADHN Cc1cc(N2CC[C@H](N3CCC[C@@H](C(=O)N4CCNCC4)C3)C2=O)n(C)n1 ZINC000430634257 483905418 /nfs/dbraw/zinc/90/54/18/483905418.db2.gz DEWPZDINTYWGSM-CVEARBPZSA-N 0 3 374.489 -0.022 20 0 FBADHN Cc1cc(N2CC[C@H](N3CCC[C@H](C(=O)N4CCNCC4)C3)C2=O)n(C)n1 ZINC000430634258 483905055 /nfs/dbraw/zinc/90/50/55/483905055.db2.gz DEWPZDINTYWGSM-HOTGVXAUSA-N 0 3 374.489 -0.022 20 0 FBADHN Cc1cc(N2CC[C@@H](N3CCC[C@@H](C(=O)N4CCNCC4)C3)C2=O)n(C)n1 ZINC000430634259 483904798 /nfs/dbraw/zinc/90/47/98/483904798.db2.gz DEWPZDINTYWGSM-HZPDHXFCSA-N 0 3 374.489 -0.022 20 0 FBADHN Cc1cc(N2CC[C@@H](N3CCC[C@H](C(=O)N4CCNCC4)C3)C2=O)n(C)n1 ZINC000430634260 483905036 /nfs/dbraw/zinc/90/50/36/483905036.db2.gz DEWPZDINTYWGSM-JKSUJKDBSA-N 0 3 374.489 -0.022 20 0 FBADHN Cn1cc(N2CC[C@@H](N3CCC[C@@H](C(=O)N4CCNCC4)C3)C2=O)cn1 ZINC000430634955 483905368 /nfs/dbraw/zinc/90/53/68/483905368.db2.gz UAJDHDPDVZZQKI-GDBMZVCRSA-N 0 3 360.462 -0.331 20 0 FBADHN CN(CC(=O)N1CCNCC1)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000430639111 483906756 /nfs/dbraw/zinc/90/67/56/483906756.db2.gz DPBHFGZTOOPIGT-UHFFFAOYSA-N 0 3 373.501 -0.306 20 0 FBADHN CCCNC(=O)CN(C)C(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430643562 483906401 /nfs/dbraw/zinc/90/64/01/483906401.db2.gz MEFPMACSTNFNPN-HNNXBMFYSA-N 0 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483906090 /nfs/dbraw/zinc/90/60/90/483906090.db2.gz MPZHKLDSOWYFLD-SOUVJXGZSA-N 0 3 361.508 -0.150 20 0 FBADHN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430646809 483907158 /nfs/dbraw/zinc/90/71/58/483907158.db2.gz FAGGUIJOUNGWNX-CHWSQXEVSA-N 0 3 351.451 -0.493 20 0 FBADHN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430646834 483906660 /nfs/dbraw/zinc/90/66/60/483906660.db2.gz FAGGUIJOUNGWNX-STQMWFEESA-N 0 3 351.451 -0.493 20 0 FBADHN CC1(C)NC(=O)N(CCN2CCC[C@@H](C(=O)N3CCNCC3)C2)C1=O ZINC000430651645 483906982 /nfs/dbraw/zinc/90/69/82/483906982.db2.gz WEQUVWNSNVRGHP-CYBMUJFWSA-N 0 3 351.451 -0.539 20 0 FBADHN CC1(C)NC(=O)N(CCN2CCC[C@H](C(=O)N3CCNCC3)C2)C1=O ZINC000430651646 483906317 /nfs/dbraw/zinc/90/63/17/483906317.db2.gz WEQUVWNSNVRGHP-ZDUSSCGKSA-N 0 3 351.451 -0.539 20 0 FBADHN NC[C@@H]1CCCCN1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000430670250 483907020 /nfs/dbraw/zinc/90/70/20/483907020.db2.gz VSWNFSUYXLQCAF-ARFHVFGLSA-N 0 3 373.519 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ZINC000430671279 483908324 /nfs/dbraw/zinc/90/83/24/483908324.db2.gz XITKZLMNCOSKPU-UONOGXRCSA-N 0 3 353.467 -0.247 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430671280 483908652 /nfs/dbraw/zinc/90/86/52/483908652.db2.gz XITKZLMNCOSKPU-ZIAGYGMSSA-N 0 3 353.467 -0.247 20 0 FBADHN NC(=O)C1CCN(Cc2cccc(NC(=O)CN3CCNCC3=O)c2)CC1 ZINC000430688924 483908594 /nfs/dbraw/zinc/90/85/94/483908594.db2.gz BAQUYVBFFHYXHM-UHFFFAOYSA-N 0 3 373.457 -0.246 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)C[C@@H]1CNCCO1)C(=O)NCCN1CCOCC1 ZINC000430689607 483908420 /nfs/dbraw/zinc/90/84/20/483908420.db2.gz DJQGISQAKBQLCY-UXLLHSPISA-N 0 3 370.494 -0.656 20 0 FBADHN CC[C@H](C)[C@@H](NC(=O)C[C@H]1CNCCO1)C(=O)NCCN1CCOCC1 ZINC000430689608 483908195 /nfs/dbraw/zinc/90/81/95/483908195.db2.gz DJQGISQAKBQLCY-YQQAZPJKSA-N 0 3 370.494 -0.656 20 0 FBADHN CC[C@H](C)[C@@H](NC(=O)C[C@@H]1CNCCO1)C(=O)NCCN1CCOCC1 ZINC000430689609 483908524 /nfs/dbraw/zinc/90/85/24/483908524.db2.gz DJQGISQAKBQLCY-ZMSDIMECSA-N 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COc1cc(CN2C[C@@H](O)C[C@H]2CO)cc(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000432794263 483964853 /nfs/dbraw/zinc/96/48/53/483964853.db2.gz AJXXPVQXVCIHMM-XSLAGTTESA-N 0 3 366.458 -0.450 20 0 FBADHN NC(=O)c1ncn([C@@H]2CCCN(C[C@@H](O)COCC(F)(F)F)C2)n1 ZINC000432810832 483964811 /nfs/dbraw/zinc/96/48/11/483964811.db2.gz ZLJBHSVCXUTXCE-NXEZZACHSA-N 0 3 351.329 -0.046 20 0 FBADHN NC(=O)c1ncn([C@H]2CCCN(C[C@H](O)COCC(F)(F)F)C2)n1 ZINC000432810833 483965654 /nfs/dbraw/zinc/96/56/54/483965654.db2.gz ZLJBHSVCXUTXCE-UWVGGRQHSA-N 0 3 351.329 -0.046 20 0 FBADHN NC(=O)c1ncn([C@H]2CCCN(C[C@@H](O)COCC(F)(F)F)C2)n1 ZINC000432810834 483965052 /nfs/dbraw/zinc/96/50/52/483965052.db2.gz ZLJBHSVCXUTXCE-VHSXEESVSA-N 0 3 351.329 -0.046 20 0 FBADHN NC(=O)c1ncn([C@@H]2CCCN(C[C@H](O)COCC(F)(F)F)C2)n1 ZINC000432810835 483964788 /nfs/dbraw/zinc/96/47/88/483964788.db2.gz ZLJBHSVCXUTXCE-ZJUUUORDSA-N 0 3 351.329 -0.046 20 0 FBADHN CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432854120 483965465 /nfs/dbraw/zinc/96/54/65/483965465.db2.gz QXURGMGRDPUAPP-UHFFFAOYSA-N 0 3 357.432 -0.213 20 0 FBADHN CNC(=O)CN1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000432873310 483967154 /nfs/dbraw/zinc/96/71/54/483967154.db2.gz SSFDJYAGPFJERL-UHFFFAOYSA-N 0 3 354.476 -0.200 20 0 FBADHN O=C(CN1CCCC1)N1CCN(Cc2nnnn2C2CCOCC2)CC1 ZINC000432938212 483966943 /nfs/dbraw/zinc/96/69/43/483966943.db2.gz KQCUDYVEVOIYFW-UHFFFAOYSA-N 0 3 363.466 -0.235 20 0 FBADHN COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432944281 483967571 /nfs/dbraw/zinc/96/75/71/483967571.db2.gz LZURTRXQHBNEBW-AWEZNQCLSA-N 0 3 369.443 -0.200 20 0 FBADHN COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432944282 483966371 /nfs/dbraw/zinc/96/63/71/483966371.db2.gz LZURTRXQHBNEBW-CQSZACIVSA-N 0 3 369.443 -0.200 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000432971964 484105710 /nfs/dbraw/zinc/10/57/10/484105710.db2.gz KPDWSMRRIZQROK-GFCCVEGCSA-N 0 3 358.468 -0.058 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000432971965 484104681 /nfs/dbraw/zinc/10/46/81/484104681.db2.gz KPDWSMRRIZQROK-LBPRGKRZSA-N 0 3 358.468 -0.058 20 0 FBADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCC(=O)N1CCOCC1 ZINC000433046873 483968667 /nfs/dbraw/zinc/96/86/67/483968667.db2.gz QVFZXDRVUXERJT-UHFFFAOYSA-N 0 3 371.459 -0.107 20 0 FBADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCN1C(=O)CCC1=O ZINC000433052847 483968183 /nfs/dbraw/zinc/96/81/83/483968183.db2.gz NXFDVMXXZDQTCU-UHFFFAOYSA-N 0 3 355.416 -0.206 20 0 FBADHN CNS(=O)(=O)CCCN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433056005 483969331 /nfs/dbraw/zinc/96/93/31/483969331.db2.gz GKWBURMDABUFCW-UHFFFAOYSA-N 0 3 365.477 -0.416 20 0 FBADHN CCOC(=O)[C@@](C)(O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433085470 483968711 /nfs/dbraw/zinc/96/87/11/483968711.db2.gz WLAZTJIVYKQKLZ-HNNXBMFYSA-N 0 3 360.432 -0.041 20 0 FBADHN CCOC(=O)[C@](C)(O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433085475 483968966 /nfs/dbraw/zinc/96/89/66/483968966.db2.gz WLAZTJIVYKQKLZ-OAHLLOKOSA-N 0 3 360.432 -0.041 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)NCCCN2CCCO[C@@H](C)C2)cc1C ZINC000433098212 484178541 /nfs/dbraw/zinc/17/85/41/484178541.db2.gz SJPYCQMLJLHORK-AWEZNQCLSA-N 0 3 366.466 0.560 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)NCCCN2CCCO[C@H](C)C2)cc1C ZINC000433098213 484179162 /nfs/dbraw/zinc/17/91/62/484179162.db2.gz SJPYCQMLJLHORK-CQSZACIVSA-N 0 3 366.466 0.560 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2C2CCOCC2)CC1 ZINC000433262443 483972565 /nfs/dbraw/zinc/97/25/65/483972565.db2.gz QJTZEWWOLKOOPI-HNNXBMFYSA-N 0 3 363.466 -0.237 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2C2CCOCC2)CC1 ZINC000433262444 483973659 /nfs/dbraw/zinc/97/36/59/483973659.db2.gz QJTZEWWOLKOOPI-OAHLLOKOSA-N 0 3 363.466 -0.237 20 0 FBADHN CC(C)OC[C@@H](CO)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000433266585 483974336 /nfs/dbraw/zinc/97/43/36/483974336.db2.gz ASRNRIUAEPNDSG-GFCCVEGCSA-N 0 3 353.423 -0.849 20 0 FBADHN CC(C)OC[C@H](CO)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000433266586 483975174 /nfs/dbraw/zinc/97/51/74/483975174.db2.gz ASRNRIUAEPNDSG-LBPRGKRZSA-N 0 3 353.423 -0.849 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433282619 483974719 /nfs/dbraw/zinc/97/47/19/483974719.db2.gz AHVOWTKDHUCNHG-CYBMUJFWSA-N 0 3 350.485 -0.274 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433282625 483975255 /nfs/dbraw/zinc/97/52/55/483975255.db2.gz AHVOWTKDHUCNHG-ZDUSSCGKSA-N 0 3 350.485 -0.274 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433289399 483974074 /nfs/dbraw/zinc/97/40/74/483974074.db2.gz PNPOVTAQCQTLKF-HNNXBMFYSA-N 0 3 369.510 -0.003 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433289403 483975355 /nfs/dbraw/zinc/97/53/55/483975355.db2.gz PNPOVTAQCQTLKF-OAHLLOKOSA-N 0 3 369.510 -0.003 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NCCC(=O)N2CCN(C)CC2)CCCO1 ZINC000433290420 483974425 /nfs/dbraw/zinc/97/44/25/483974425.db2.gz SOKXLLKSUROXCC-INIZCTEOSA-N 0 3 369.510 -0.049 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NCCC(=O)N2CCN(C)CC2)CCCO1 ZINC000433290421 483974814 /nfs/dbraw/zinc/97/48/14/483974814.db2.gz SOKXLLKSUROXCC-MRXNPFEDSA-N 0 3 369.510 -0.049 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NCCS(=O)(=O)NC2CC2)CCCO1 ZINC000433294375 483975076 /nfs/dbraw/zinc/97/50/76/483975076.db2.gz LLGABBMHUHFGAZ-CYBMUJFWSA-N 0 3 362.496 -0.132 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NCCS(=O)(=O)NC2CC2)CCCO1 ZINC000433294376 483974509 /nfs/dbraw/zinc/97/45/09/483974509.db2.gz LLGABBMHUHFGAZ-ZDUSSCGKSA-N 0 3 362.496 -0.132 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NCCCN2C(=O)CNC2=O)CCCO1 ZINC000433337683 483974768 /nfs/dbraw/zinc/97/47/68/483974768.db2.gz ZGGPBIMPQPPRKG-CYBMUJFWSA-N 0 3 355.439 -0.272 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NCCCN2C(=O)CNC2=O)CCCO1 ZINC000433337684 483974182 /nfs/dbraw/zinc/97/41/82/483974182.db2.gz ZGGPBIMPQPPRKG-ZDUSSCGKSA-N 0 3 355.439 -0.272 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NCCN2CCCS2(=O)=O)CCCO1 ZINC000433338266 483974133 /nfs/dbraw/zinc/97/41/33/483974133.db2.gz GERRGYZYGFBULX-AWEZNQCLSA-N 0 3 362.496 -0.178 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NCCN2CCCS2(=O)=O)CCCO1 ZINC000433338267 483974656 /nfs/dbraw/zinc/97/46/56/483974656.db2.gz GERRGYZYGFBULX-CQSZACIVSA-N 0 3 362.496 -0.178 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000433345076 483974832 /nfs/dbraw/zinc/97/48/32/483974832.db2.gz WHBPZVGXTCZUHS-UHFFFAOYSA-N 0 3 361.489 -0.082 20 0 FBADHN CCN1CCN(CCNS(=O)(=O)c2ccc(C(=O)OC)nc2)CC1 ZINC000433372231 483976800 /nfs/dbraw/zinc/97/68/00/483976800.db2.gz OFMWOBDYEQPIFK-UHFFFAOYSA-N 0 3 356.448 -0.216 20 0 FBADHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000433374942 483977193 /nfs/dbraw/zinc/97/71/93/483977193.db2.gz OBHNNGDALHJBLH-ZFWWWQNUSA-N 0 3 373.413 -0.047 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NC[C@H]2CS(=O)(=O)CCO2)CCCO1 ZINC000433401869 483978023 /nfs/dbraw/zinc/97/80/23/483978023.db2.gz ZVUHRRMIJLIVNN-KBPBESRZSA-N 0 3 363.480 -0.400 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NC[C@H]2CS(=O)(=O)CCO2)CCCO1 ZINC000433401872 483978671 /nfs/dbraw/zinc/97/86/71/483978671.db2.gz ZVUHRRMIJLIVNN-KGLIPLIRSA-N 0 3 363.480 -0.400 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CCCO1 ZINC000433401873 483977987 /nfs/dbraw/zinc/97/79/87/483977987.db2.gz ZVUHRRMIJLIVNN-UONOGXRCSA-N 0 3 363.480 -0.400 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CCCO1 ZINC000433401875 483978778 /nfs/dbraw/zinc/97/87/78/483978778.db2.gz ZVUHRRMIJLIVNN-ZIAGYGMSSA-N 0 3 363.480 -0.400 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NCC2CN(S(C)(=O)=O)C2)CCCO1 ZINC000433403830 483977832 /nfs/dbraw/zinc/97/78/32/483977832.db2.gz RNDNGWDUFCCCQX-ZDUSSCGKSA-N 0 3 362.496 -0.322 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)NCCCN2CCCO[C@H](C)C2)nn1 ZINC000433413660 483977889 /nfs/dbraw/zinc/97/78/89/483977889.db2.gz MCIIYUFBPYZUQO-CYBMUJFWSA-N 0 3 368.438 -0.249 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)NCCCN2CCCO[C@@H](C)C2)nn1 ZINC000433413661 483978565 /nfs/dbraw/zinc/97/85/65/483978565.db2.gz MCIIYUFBPYZUQO-ZDUSSCGKSA-N 0 3 368.438 -0.249 20 0 FBADHN C[C@H]1CN(CCCNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CCCO1 ZINC000433447525 483979573 /nfs/dbraw/zinc/97/95/73/483979573.db2.gz OPJCKXGNYPUFHC-KBPBESRZSA-N 0 3 362.496 -0.050 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CCCO1 ZINC000433447526 483980745 /nfs/dbraw/zinc/98/07/45/483980745.db2.gz OPJCKXGNYPUFHC-KGLIPLIRSA-N 0 3 362.496 -0.050 20 0 FBADHN C[C@H]1CN(CCCNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CCCO1 ZINC000433447527 483979910 /nfs/dbraw/zinc/97/99/10/483979910.db2.gz OPJCKXGNYPUFHC-UONOGXRCSA-N 0 3 362.496 -0.050 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CCCO1 ZINC000433447528 483979603 /nfs/dbraw/zinc/97/96/03/483979603.db2.gz OPJCKXGNYPUFHC-ZIAGYGMSSA-N 0 3 362.496 -0.050 20 0 FBADHN COCC(=O)N1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433450835 483980879 /nfs/dbraw/zinc/98/08/79/483980879.db2.gz ABJYHDQJCCFXFI-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN COCC(=O)N1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433450837 483980074 /nfs/dbraw/zinc/98/00/74/483980074.db2.gz ABJYHDQJCCFXFI-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433455395 483980142 /nfs/dbraw/zinc/98/01/42/483980142.db2.gz IKGHMRMYBVJSPN-INIZCTEOSA-N 0 3 369.510 -0.049 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433455396 483980103 /nfs/dbraw/zinc/98/01/03/483980103.db2.gz IKGHMRMYBVJSPN-MRXNPFEDSA-N 0 3 369.510 -0.049 20 0 FBADHN COCCN1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1=O ZINC000433456880 483980496 /nfs/dbraw/zinc/98/04/96/483980496.db2.gz NXYLUMNJDXGRDN-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN COCCN1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1=O ZINC000433456881 483980901 /nfs/dbraw/zinc/98/09/01/483980901.db2.gz NXYLUMNJDXGRDN-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN C[C@H]1CN(CCCNC(=O)N(C)C[C@@H](O)CN2CCOCC2)CCCO1 ZINC000433460340 483980586 /nfs/dbraw/zinc/98/05/86/483980586.db2.gz QFBORIFXGWMSTA-DLBZAZTESA-N 0 3 372.510 -0.178 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N(C)C[C@@H](O)CN2CCOCC2)CCCO1 ZINC000433460341 483980436 /nfs/dbraw/zinc/98/04/36/483980436.db2.gz QFBORIFXGWMSTA-IAGOWNOFSA-N 0 3 372.510 -0.178 20 0 FBADHN C[C@H]1CN(CCCNC(=O)N(C)C[C@H](O)CN2CCOCC2)CCCO1 ZINC000433460342 483980391 /nfs/dbraw/zinc/98/03/91/483980391.db2.gz QFBORIFXGWMSTA-IRXDYDNUSA-N 0 3 372.510 -0.178 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N(C)C[C@H](O)CN2CCOCC2)CCCO1 ZINC000433460343 483979469 /nfs/dbraw/zinc/97/94/69/483979469.db2.gz QFBORIFXGWMSTA-SJORKVTESA-N 0 3 372.510 -0.178 20 0 FBADHN C[C@H]1CN(CCCNC(=O)N(C)CC(=O)N2CCOCC2)CCCO1 ZINC000433463899 483980772 /nfs/dbraw/zinc/98/07/72/483980772.db2.gz ARDLVFVNNNYESQ-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N(C)CC(=O)N2CCOCC2)CCCO1 ZINC000433463901 483980542 /nfs/dbraw/zinc/98/05/42/483980542.db2.gz ARDLVFVNNNYESQ-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NC[C@](C)(O)CN2CCOCC2)CCCO1 ZINC000433469287 483979433 /nfs/dbraw/zinc/97/94/33/483979433.db2.gz VZCRQYCGFQBFJQ-AEFFLSMTSA-N 0 3 372.510 -0.130 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NC[C@@](C)(O)CN2CCOCC2)CCCO1 ZINC000433469288 483979778 /nfs/dbraw/zinc/97/97/78/483979778.db2.gz VZCRQYCGFQBFJQ-FUHWJXTLSA-N 0 3 372.510 -0.130 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NC[C@@](C)(O)CN2CCOCC2)CCCO1 ZINC000433469289 483979885 /nfs/dbraw/zinc/97/98/85/483979885.db2.gz VZCRQYCGFQBFJQ-SJLPKXTDSA-N 0 3 372.510 -0.130 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NC[C@](C)(O)CN2CCOCC2)CCCO1 ZINC000433469290 483979849 /nfs/dbraw/zinc/97/98/49/483979849.db2.gz VZCRQYCGFQBFJQ-WMZOPIPTSA-N 0 3 372.510 -0.130 20 0 FBADHN CC(C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)S(C)(=O)=O ZINC000433579553 483984095 /nfs/dbraw/zinc/98/40/95/483984095.db2.gz YQGDKNVYFINAPV-GHMZBOCLSA-N 0 3 352.420 -0.406 20 0 FBADHN CC(C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)S(C)(=O)=O ZINC000433579554 483984476 /nfs/dbraw/zinc/98/44/76/483984476.db2.gz YQGDKNVYFINAPV-MNOVXSKESA-N 0 3 352.420 -0.406 20 0 FBADHN CC(C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)S(C)(=O)=O ZINC000433579555 483984259 /nfs/dbraw/zinc/98/42/59/483984259.db2.gz YQGDKNVYFINAPV-QWRGUYRKSA-N 0 3 352.420 -0.406 20 0 FBADHN CC(C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)S(C)(=O)=O ZINC000433579556 483984074 /nfs/dbraw/zinc/98/40/74/483984074.db2.gz YQGDKNVYFINAPV-WDEREUQCSA-N 0 3 352.420 -0.406 20 0 FBADHN COc1nn(C)cc1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433642423 483984669 /nfs/dbraw/zinc/98/46/69/483984669.db2.gz AJTJJDZNRIYOJV-GFCCVEGCSA-N 0 3 353.423 -0.016 20 0 FBADHN COc1nn(C)cc1NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433642424 483984127 /nfs/dbraw/zinc/98/41/27/483984127.db2.gz AJTJJDZNRIYOJV-LBPRGKRZSA-N 0 3 353.423 -0.016 20 0 FBADHN COCCn1ccc(NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)n1 ZINC000433648336 483984605 /nfs/dbraw/zinc/98/46/05/483984605.db2.gz IJKBEMVPTMRXDZ-AWEZNQCLSA-N 0 3 367.450 0.085 20 0 FBADHN COCCn1ccc(NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)n1 ZINC000433648338 484338084 /nfs/dbraw/zinc/33/80/84/484338084.db2.gz IJKBEMVPTMRXDZ-CQSZACIVSA-N 0 3 367.450 0.085 20 0 FBADHN CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000433677805 484209523 /nfs/dbraw/zinc/20/95/23/484209523.db2.gz BZEHHEIPCCKGJJ-CYBMUJFWSA-N 0 3 355.439 -0.373 20 0 FBADHN CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000433677806 484211195 /nfs/dbraw/zinc/21/11/95/484211195.db2.gz BZEHHEIPCCKGJJ-ZDUSSCGKSA-N 0 3 355.439 -0.373 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)nn1 ZINC000433681936 483985461 /nfs/dbraw/zinc/98/54/61/483985461.db2.gz GHJAPQAOVUXQCI-AWEZNQCLSA-N 0 3 368.438 -0.657 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)nn1 ZINC000433681940 483986006 /nfs/dbraw/zinc/98/60/06/483986006.db2.gz GHJAPQAOVUXQCI-CQSZACIVSA-N 0 3 368.438 -0.657 20 0 FBADHN CN(C)c1nc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc(=O)[n-]1 ZINC000433708640 483985572 /nfs/dbraw/zinc/98/55/72/483985572.db2.gz SACQZJMSNDSEJO-UHFFFAOYSA-N 0 3 364.450 -0.222 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000433875139 483990731 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C[C@@H]1NCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@H]1C ZINC000434704441 484026071 /nfs/dbraw/zinc/02/60/71/484026071.db2.gz FFSLGLVARJVMDY-RYUDHWBXSA-N 0 3 356.448 -0.142 20 0 FBADHN C[C@H]1NCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@@H]1C ZINC000434704442 484026549 /nfs/dbraw/zinc/02/65/49/484026549.db2.gz FFSLGLVARJVMDY-VXGBXAGGSA-N 0 3 356.448 -0.142 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434715043 484026777 /nfs/dbraw/zinc/02/67/77/484026777.db2.gz VMMRZZGENYSTRH-INIZCTEOSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434715044 484026663 /nfs/dbraw/zinc/02/66/63/484026663.db2.gz VMMRZZGENYSTRH-MRXNPFEDSA-N 0 3 355.435 -0.641 20 0 FBADHN CC(C)Oc1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)ccc1C(N)=O ZINC000434721468 484026174 /nfs/dbraw/zinc/02/61/74/484026174.db2.gz YDDBAAOGYHYHBY-GFCCVEGCSA-N 0 3 366.418 -0.450 20 0 FBADHN CC(C)Oc1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)ccc1C(N)=O ZINC000434721469 484026576 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YOUGYAYNOUHKEW-UHFFFAOYSA-N 0 3 350.485 -0.276 20 0 FBADHN COCCN(C)CCNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000439078451 484120209 /nfs/dbraw/zinc/12/02/09/484120209.db2.gz OAADKEVNFHPALG-UHFFFAOYSA-N 0 3 363.418 -0.751 20 0 FBADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCCS(=O)(=O)NC)CC1 ZINC000439138806 484121312 /nfs/dbraw/zinc/12/13/12/484121312.db2.gz VPEACEYCHZSORA-GFCCVEGCSA-N 0 3 363.480 -0.295 20 0 FBADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCCS(=O)(=O)NC)CC1 ZINC000439138813 484121529 /nfs/dbraw/zinc/12/15/29/484121529.db2.gz VPEACEYCHZSORA-LBPRGKRZSA-N 0 3 363.480 -0.295 20 0 FBADHN OCCN1CCCN(c2cncc(N3CCCN(CCO)CC3)n2)CC1 ZINC000439159015 484120823 /nfs/dbraw/zinc/12/08/23/484120823.db2.gz XASXQFAKZWRPRK-UHFFFAOYSA-N 0 3 364.494 -0.515 20 0 FBADHN COCCn1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)n1 ZINC000439159022 484121403 /nfs/dbraw/zinc/12/14/03/484121403.db2.gz XAXLYLZKXAWRFJ-UHFFFAOYSA-N 0 3 363.422 -0.344 20 0 FBADHN Cc1nnc([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CCN(C)C)n3)C2)[nH]1 ZINC000439177765 484461116 /nfs/dbraw/zinc/46/11/16/484461116.db2.gz FXBZNKFRDSJJSX-CYBMUJFWSA-N 0 3 374.449 0.216 20 0 FBADHN Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3ccn(CCN(C)C)n3)C2)[nH]1 ZINC000439177766 484463127 /nfs/dbraw/zinc/46/31/27/484463127.db2.gz FXBZNKFRDSJJSX-ZDUSSCGKSA-N 0 3 374.449 0.216 20 0 FBADHN CC[C@H](NC(=O)NC1CCN(CCN(C)C)CC1)C(=O)N1CCOCC1 ZINC000439196492 484123059 /nfs/dbraw/zinc/12/30/59/484123059.db2.gz FMFBWNODMDXOIV-INIZCTEOSA-N 0 3 369.510 -0.051 20 0 FBADHN CC[C@@H](NC(=O)NC1CCN(CCN(C)C)CC1)C(=O)N1CCOCC1 ZINC000439196493 484122972 /nfs/dbraw/zinc/12/29/72/484122972.db2.gz FMFBWNODMDXOIV-MRXNPFEDSA-N 0 3 369.510 -0.051 20 0 FBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N(C)CCN2CCCC2)cn1 ZINC000439201004 484122475 /nfs/dbraw/zinc/12/24/75/484122475.db2.gz JFJUALPHVUFPRN-UHFFFAOYSA-N 0 3 350.423 -0.536 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000439205268 484122646 /nfs/dbraw/zinc/12/26/46/484122646.db2.gz MKSGKYDDIJLQNN-UHFFFAOYSA-N 0 3 374.445 -0.490 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC000439205685 484094861 /nfs/dbraw/zinc/09/48/61/484094861.db2.gz OKVIACIFHTVNCM-CHWSQXEVSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC000439205686 484094751 /nfs/dbraw/zinc/09/47/51/484094751.db2.gz OKVIACIFHTVNCM-OLZOCXBDSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 ZINC000439205687 484094276 /nfs/dbraw/zinc/09/42/76/484094276.db2.gz OKVIACIFHTVNCM-QWHCGFSZSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC000439205688 484095735 /nfs/dbraw/zinc/09/57/35/484095735.db2.gz OKVIACIFHTVNCM-STQMWFEESA-N 0 3 362.434 -0.347 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000439206553 484122658 /nfs/dbraw/zinc/12/26/58/484122658.db2.gz DMDVJKHFSIJKGR-UHFFFAOYSA-N 0 3 354.432 -0.173 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439211282 484405204 /nfs/dbraw/zinc/40/52/04/484405204.db2.gz QFSNPCZNAIMMII-UHFFFAOYSA-N 0 3 351.407 0.090 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000439212661 484122381 /nfs/dbraw/zinc/12/23/81/484122381.db2.gz JZXOJPRKFDIIJY-UHFFFAOYSA-N 0 3 362.434 -0.346 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000439216118 484122887 /nfs/dbraw/zinc/12/28/87/484122887.db2.gz RLLIOCFLAZNJCU-UHFFFAOYSA-N 0 3 354.432 -0.022 20 0 FBADHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)NCC(=O)N(C)C ZINC000439216478 484122702 /nfs/dbraw/zinc/12/27/02/484122702.db2.gz PCHXZNAIILXDBC-AWEZNQCLSA-N 0 3 355.483 -0.935 20 0 FBADHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)NCC(=O)N(C)C ZINC000439216483 484123008 /nfs/dbraw/zinc/12/30/08/484123008.db2.gz PCHXZNAIILXDBC-CQSZACIVSA-N 0 3 355.483 -0.935 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000439218902 484122432 /nfs/dbraw/zinc/12/24/32/484122432.db2.gz WZURERKFTRGJKH-UHFFFAOYSA-N 0 3 372.422 -0.034 20 0 FBADHN COC(=O)CC1(NCCN2C[C@H]3CC[C@@H](C2)O3)CCS(=O)(=O)CC1 ZINC000439258168 484124450 /nfs/dbraw/zinc/12/44/50/484124450.db2.gz FDJDFKSNUQRDTN-OKILXGFUSA-N 0 3 360.476 -0.050 20 0 FBADHN COCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000439295838 484320423 /nfs/dbraw/zinc/32/04/23/484320423.db2.gz LYFJLCPBLFZZBX-UHFFFAOYSA-N 0 3 374.445 0.453 20 0 FBADHN CC[C@H](NC(=O)NCC1CCN(CCO)CC1)C(=O)N1CCOCC1 ZINC000439309223 484126314 /nfs/dbraw/zinc/12/63/14/484126314.db2.gz DSYCSSBAGGPILX-HNNXBMFYSA-N 0 3 356.467 -0.373 20 0 FBADHN CC[C@@H](NC(=O)NCC1CCN(CCO)CC1)C(=O)N1CCOCC1 ZINC000439309224 484125305 /nfs/dbraw/zinc/12/53/05/484125305.db2.gz DSYCSSBAGGPILX-OAHLLOKOSA-N 0 3 356.467 -0.373 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000439313015 484427167 /nfs/dbraw/zinc/42/71/67/484427167.db2.gz CAFHCAGWWSSPDV-UHFFFAOYSA-N 0 3 358.468 -0.152 20 0 FBADHN CCN1CCC(n2nccc2NC(=O)C(=O)N(CCO)CCOC)CC1 ZINC000439354882 484126750 /nfs/dbraw/zinc/12/67/50/484126750.db2.gz RLSTXONSBZPSQO-UHFFFAOYSA-N 0 3 367.450 -0.054 20 0 FBADHN CC[C@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000439361439 484127583 /nfs/dbraw/zinc/12/75/83/484127583.db2.gz UWYNZINPWGLQCG-CVEARBPZSA-N 0 3 369.510 -0.194 20 0 FBADHN CC[C@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000439361446 484127607 /nfs/dbraw/zinc/12/76/07/484127607.db2.gz UWYNZINPWGLQCG-HOTGVXAUSA-N 0 3 369.510 -0.194 20 0 FBADHN CC[C@@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000439361447 484127803 /nfs/dbraw/zinc/12/78/03/484127803.db2.gz UWYNZINPWGLQCG-HZPDHXFCSA-N 0 3 369.510 -0.194 20 0 FBADHN CC[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000439361449 484127081 /nfs/dbraw/zinc/12/70/81/484127081.db2.gz UWYNZINPWGLQCG-JKSUJKDBSA-N 0 3 369.510 -0.194 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)c1 ZINC000439406401 484129312 /nfs/dbraw/zinc/12/93/12/484129312.db2.gz VXPLDYFLDYMFEK-UHFFFAOYSA-N 0 3 368.459 -0.034 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)nn1C ZINC000439421954 484265359 /nfs/dbraw/zinc/26/53/59/484265359.db2.gz LVQKHRHWAJCMGL-IBGZPJMESA-N 0 3 371.441 0.420 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)nn1C ZINC000439421956 484266361 /nfs/dbraw/zinc/26/63/61/484266361.db2.gz LVQKHRHWAJCMGL-LJQANCHMSA-N 0 3 371.441 0.420 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(C)n(C)n2)CC1 ZINC000439478526 484351899 /nfs/dbraw/zinc/35/18/99/484351899.db2.gz NWNINPXWIKUBGC-CYBMUJFWSA-N 0 3 350.467 0.057 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(C)n(C)n2)CC1 ZINC000439478528 484352866 /nfs/dbraw/zinc/35/28/66/484352866.db2.gz NWNINPXWIKUBGC-ZDUSSCGKSA-N 0 3 350.467 0.057 20 0 FBADHN Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1C ZINC000439488087 484258987 /nfs/dbraw/zinc/25/89/87/484258987.db2.gz VTESWGURWWDJHG-CYBMUJFWSA-N 0 3 364.450 -0.274 20 0 FBADHN Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1C ZINC000439488088 484260403 /nfs/dbraw/zinc/26/04/03/484260403.db2.gz VTESWGURWWDJHG-ZDUSSCGKSA-N 0 3 364.450 -0.274 20 0 FBADHN CCN1CCC(n2nccc2NC(=O)C(=O)N2CCNC(=O)CC2)CC1 ZINC000439590082 484132632 /nfs/dbraw/zinc/13/26/32/484132632.db2.gz XSKDINWDMJOYBP-UHFFFAOYSA-N 0 3 362.434 -0.173 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000439611355 484131801 /nfs/dbraw/zinc/13/18/01/484131801.db2.gz FKVLDCQMKSWQIO-UHFFFAOYSA-N 0 3 363.418 -0.100 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000439619537 484133878 /nfs/dbraw/zinc/13/38/78/484133878.db2.gz PSMNSAAKGWSXIX-UHFFFAOYSA-N 0 3 367.402 -0.247 20 0 FBADHN Cc1cc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)cn(C)c1=O ZINC000439619565 484134275 /nfs/dbraw/zinc/13/42/75/484134275.db2.gz PXEPNICPMIOOIL-UHFFFAOYSA-N 0 3 368.434 -0.969 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)NCC2CCN(CCO)CC2)C1 ZINC000439625722 484134610 /nfs/dbraw/zinc/13/46/10/484134610.db2.gz SQPPZBFMWSWGOM-UHFFFAOYSA-N 0 3 362.496 -0.729 20 0 FBADHN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000439626662 484134443 /nfs/dbraw/zinc/13/44/43/484134443.db2.gz XSMLHRSRPGPIEC-UHFFFAOYSA-N 0 3 368.434 -0.969 20 0 FBADHN Cc1ccc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)c(=O)[nH]1 ZINC000439627122 484134504 /nfs/dbraw/zinc/13/45/04/484134504.db2.gz CLSBHEHBPGGQHX-UHFFFAOYSA-N 0 3 354.407 -0.567 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000439636360 484134052 /nfs/dbraw/zinc/13/40/52/484134052.db2.gz VOXXKSCENFZTCC-UHFFFAOYSA-N 0 3 367.450 -0.754 20 0 FBADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000439636385 484133525 /nfs/dbraw/zinc/13/35/25/484133525.db2.gz CDUQSGRZKDVGIB-UHFFFAOYSA-N 0 3 368.434 -0.969 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000439636698 484134234 /nfs/dbraw/zinc/13/42/34/484134234.db2.gz WPYYHDJEXPKYEU-UHFFFAOYSA-N 0 3 367.402 -0.247 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000439637846 484134157 /nfs/dbraw/zinc/13/41/57/484134157.db2.gz SXBGFCMVSGOZQF-UHFFFAOYSA-N 0 3 365.430 -0.041 20 0 FBADHN Cc1cc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)c(=O)n(C)c1 ZINC000439638582 484134255 /nfs/dbraw/zinc/13/42/55/484134255.db2.gz JMYBBJSKJFUOKJ-UHFFFAOYSA-N 0 3 368.434 -0.969 20 0 FBADHN COC[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@H](C)O1 ZINC000439644919 484133840 /nfs/dbraw/zinc/13/38/40/484133840.db2.gz LZHYVZJIKGTVIM-DLBZAZTESA-N 0 3 372.510 -0.178 20 0 FBADHN COC[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H](C)O1 ZINC000439644920 484133556 /nfs/dbraw/zinc/13/35/56/484133556.db2.gz LZHYVZJIKGTVIM-IAGOWNOFSA-N 0 3 372.510 -0.178 20 0 FBADHN COC[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@H](C)O1 ZINC000439644921 484134641 /nfs/dbraw/zinc/13/46/41/484134641.db2.gz LZHYVZJIKGTVIM-IRXDYDNUSA-N 0 3 372.510 -0.178 20 0 FBADHN COC[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H](C)O1 ZINC000439644922 484134546 /nfs/dbraw/zinc/13/45/46/484134546.db2.gz LZHYVZJIKGTVIM-SJORKVTESA-N 0 3 372.510 -0.178 20 0 FBADHN Cc1nn(C)c(NC(=O)C(=O)N(CCOCCO)CCN(C)C)c1C ZINC000439645659 484133821 /nfs/dbraw/zinc/13/38/21/484133821.db2.gz VAUTUGRRXNRPJR-UHFFFAOYSA-N 0 3 355.439 -0.625 20 0 FBADHN Cc1nn(C)c(C)c1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000439652054 484133430 /nfs/dbraw/zinc/13/34/30/484133430.db2.gz UVFSWYMLLXXRIK-UHFFFAOYSA-N 0 3 355.439 -0.625 20 0 FBADHN CN1CC[C@](O)(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC000439717776 484135956 /nfs/dbraw/zinc/13/59/56/484135956.db2.gz LETBLCRRTGFSMI-DAYGRLMNSA-N 0 3 351.447 -0.390 20 0 FBADHN CN1CC[C@](O)(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000439717778 484135642 /nfs/dbraw/zinc/13/56/42/484135642.db2.gz LETBLCRRTGFSMI-MPGHIAIKSA-N 0 3 351.447 -0.390 20 0 FBADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC000439717780 484136120 /nfs/dbraw/zinc/13/61/20/484136120.db2.gz LETBLCRRTGFSMI-RKVPGOIHSA-N 0 3 351.447 -0.390 20 0 FBADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000439717781 484135936 /nfs/dbraw/zinc/13/59/36/484135936.db2.gz LETBLCRRTGFSMI-VKJFTORMSA-N 0 3 351.447 -0.390 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cncc(F)c2)CC1 ZINC000439744849 484136943 /nfs/dbraw/zinc/13/69/43/484136943.db2.gz ZQNOIJTYADZOCT-UHFFFAOYSA-N 0 3 363.393 -0.074 20 0 FBADHN CCn1ncc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1C(F)(F)F ZINC000439753860 484137466 /nfs/dbraw/zinc/13/74/66/484137466.db2.gz BTNOARHRBRMYJE-MRVPVSSYSA-N 0 3 351.329 -0.101 20 0 FBADHN CCn1ncc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1C(F)(F)F ZINC000439753861 484137316 /nfs/dbraw/zinc/13/73/16/484137316.db2.gz BTNOARHRBRMYJE-QMMMGPOBSA-N 0 3 351.329 -0.101 20 0 FBADHN CNS(=O)(=O)CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000439839067 484140001 /nfs/dbraw/zinc/14/00/01/484140001.db2.gz DVKSQNNTSJIART-INIZCTEOSA-N 0 3 370.475 -0.528 20 0 FBADHN CNS(=O)(=O)CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000439839068 484139414 /nfs/dbraw/zinc/13/94/14/484139414.db2.gz DVKSQNNTSJIART-MRXNPFEDSA-N 0 3 370.475 -0.528 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000439911356 484139465 /nfs/dbraw/zinc/13/94/65/484139465.db2.gz OQFGSVMGSGMILL-AWEZNQCLSA-N 0 3 362.496 -0.586 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000439911357 484139374 /nfs/dbraw/zinc/13/93/74/484139374.db2.gz OQFGSVMGSGMILL-CQSZACIVSA-N 0 3 362.496 -0.586 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000439929846 484140986 /nfs/dbraw/zinc/14/09/86/484140986.db2.gz IUEVLMFZUNCIMG-UHFFFAOYSA-N 0 3 350.485 -0.513 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCn3ccnc3C2)cn1 ZINC000439972770 484142639 /nfs/dbraw/zinc/14/26/39/484142639.db2.gz QCTYPVZQZIPCPF-CYBMUJFWSA-N 0 3 359.434 -0.042 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCn3ccnc3C2)cn1 ZINC000439972771 484142733 /nfs/dbraw/zinc/14/27/33/484142733.db2.gz QCTYPVZQZIPCPF-ZDUSSCGKSA-N 0 3 359.434 -0.042 20 0 FBADHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000440057167 484144460 /nfs/dbraw/zinc/14/44/60/484144460.db2.gz ZLBNKQGFNQIUFU-UHFFFAOYSA-N 0 3 360.414 -0.065 20 0 FBADHN CCN1CCN(CCNS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1 ZINC000440078992 484145279 /nfs/dbraw/zinc/14/52/79/484145279.db2.gz MMOCSIVXWRVFKW-UHFFFAOYSA-N 0 3 358.464 -0.273 20 0 FBADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCN1CCN(CC)CC1 ZINC000440089302 484146311 /nfs/dbraw/zinc/14/63/11/484146311.db2.gz QDGPCFFXONRRGR-AWEZNQCLSA-N 0 3 362.496 -0.514 20 0 FBADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCN1CCN(CC)CC1 ZINC000440089303 484146440 /nfs/dbraw/zinc/14/64/40/484146440.db2.gz QDGPCFFXONRRGR-CQSZACIVSA-N 0 3 362.496 -0.514 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000440092679 484146429 /nfs/dbraw/zinc/14/64/29/484146429.db2.gz FBHWWIWKZJZZIU-CHWSQXEVSA-N 0 3 355.526 -0.035 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000440092680 484145813 /nfs/dbraw/zinc/14/58/13/484145813.db2.gz FBHWWIWKZJZZIU-OLZOCXBDSA-N 0 3 355.526 -0.035 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000440092681 484146004 /nfs/dbraw/zinc/14/60/04/484146004.db2.gz FBHWWIWKZJZZIU-QWHCGFSZSA-N 0 3 355.526 -0.035 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000440092682 484146485 /nfs/dbraw/zinc/14/64/85/484146485.db2.gz FBHWWIWKZJZZIU-STQMWFEESA-N 0 3 355.526 -0.035 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000440093248 484145792 /nfs/dbraw/zinc/14/57/92/484145792.db2.gz RZQNOCKGCYGXBZ-CYBMUJFWSA-N 0 3 350.485 -0.658 20 0 FBADHN CCN1CCN([C@@H](C)CNS(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000440093255 483847123 /nfs/dbraw/zinc/84/71/23/483847123.db2.gz RZQNOCKGCYGXBZ-ZDUSSCGKSA-N 0 3 350.485 -0.658 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000440262303 484151461 /nfs/dbraw/zinc/15/14/61/484151461.db2.gz BNLLTBSVEFUILU-CYBMUJFWSA-N 0 3 354.432 -0.424 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000440262307 484151841 /nfs/dbraw/zinc/15/18/41/484151841.db2.gz BNLLTBSVEFUILU-ZDUSSCGKSA-N 0 3 354.432 -0.424 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000440265627 484153116 /nfs/dbraw/zinc/15/31/16/484153116.db2.gz LXAGXWPMGIHMDI-CYBMUJFWSA-N 0 3 368.459 -0.115 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000440265628 484152810 /nfs/dbraw/zinc/15/28/10/484152810.db2.gz LXAGXWPMGIHMDI-ZDUSSCGKSA-N 0 3 368.459 -0.115 20 0 FBADHN CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000440266372 484152577 /nfs/dbraw/zinc/15/25/77/484152577.db2.gz JNXXAXUUBGUISR-CYBMUJFWSA-N 0 3 368.459 -0.381 20 0 FBADHN CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000440266375 484153037 /nfs/dbraw/zinc/15/30/37/484153037.db2.gz JNXXAXUUBGUISR-ZDUSSCGKSA-N 0 3 368.459 -0.381 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCC[C@H](C[NH3+])C3)cc2c(=O)[n-]c1=O ZINC000440336927 484157736 /nfs/dbraw/zinc/15/77/36/484157736.db2.gz HDRNDVMMTKWMJO-SECBINFHSA-N 0 3 353.404 -0.607 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCC[C@@H](C[NH3+])C3)cc2c(=O)[n-]c1=O ZINC000440336931 484157758 /nfs/dbraw/zinc/15/77/58/484157758.db2.gz HDRNDVMMTKWMJO-VIFPVBQESA-N 0 3 353.404 -0.607 20 0 FBADHN COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000440338266 484157872 /nfs/dbraw/zinc/15/78/72/484157872.db2.gz JHMZJBYKPQMFPN-BJOHPYRUSA-N 0 3 368.415 -0.529 20 0 FBADHN COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000440338269 484158397 /nfs/dbraw/zinc/15/83/97/484158397.db2.gz JHMZJBYKPQMFPN-VFZGTOFNSA-N 0 3 368.415 -0.529 20 0 FBADHN C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000440339973 484157773 /nfs/dbraw/zinc/15/77/73/484157773.db2.gz KRRRVIIXAOJPMF-BXKDBHETSA-N 0 3 367.431 -0.076 20 0 FBADHN C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000440339976 484158610 /nfs/dbraw/zinc/15/86/10/484158610.db2.gz KRRRVIIXAOJPMF-CABZTGNLSA-N 0 3 367.431 -0.076 20 0 FBADHN C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000440339978 484158172 /nfs/dbraw/zinc/15/81/72/484158172.db2.gz KRRRVIIXAOJPMF-JOYOIKCWSA-N 0 3 367.431 -0.076 20 0 FBADHN C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000440339981 484158384 /nfs/dbraw/zinc/15/83/84/484158384.db2.gz KRRRVIIXAOJPMF-SKDRFNHKSA-N 0 3 367.431 -0.076 20 0 FBADHN CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000440340954 484158641 /nfs/dbraw/zinc/15/86/41/484158641.db2.gz LRZJDRPQNMZZCN-JTQLQIEISA-N 0 3 373.435 -0.938 20 0 FBADHN CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000440340955 484158161 /nfs/dbraw/zinc/15/81/61/484158161.db2.gz LRZJDRPQNMZZCN-SNVBAGLBSA-N 0 3 373.435 -0.938 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCC(C[NH3+])CC3)cc2c(=O)[n-]c1=O ZINC000440346972 484158325 /nfs/dbraw/zinc/15/83/25/484158325.db2.gz ROEKWTOOPYQROK-UHFFFAOYSA-N 0 3 353.404 -0.607 20 0 FBADHN CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000440347929 484158249 /nfs/dbraw/zinc/15/82/49/484158249.db2.gz JDMILBPUUZRBCZ-UHFFFAOYSA-N 0 3 361.489 -0.336 20 0 FBADHN C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000440351388 484157746 /nfs/dbraw/zinc/15/77/46/484157746.db2.gz DIKIXSLUZBODAI-JTQLQIEISA-N 0 3 367.431 -0.346 20 0 FBADHN C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000440351393 484157848 /nfs/dbraw/zinc/15/78/48/484157848.db2.gz DIKIXSLUZBODAI-SNVBAGLBSA-N 0 3 367.431 -0.346 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)[C@@H]1CCC[NH2+]C1 ZINC000440351551 484158183 /nfs/dbraw/zinc/15/81/83/484158183.db2.gz DHEHBSLRSDTNHS-NXEZZACHSA-N 0 3 367.431 -0.300 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)[C@H]1CCC[NH2+]C1 ZINC000440351553 484157965 /nfs/dbraw/zinc/15/79/65/484157965.db2.gz DHEHBSLRSDTNHS-UWVGGRQHSA-N 0 3 367.431 -0.300 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)[C@@H]1CCC[NH2+]C1 ZINC000440351554 484158413 /nfs/dbraw/zinc/15/84/13/484158413.db2.gz DHEHBSLRSDTNHS-VHSXEESVSA-N 0 3 367.431 -0.300 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)[C@H]1CCC[NH2+]C1 ZINC000440351555 484157582 /nfs/dbraw/zinc/15/75/82/484157582.db2.gz DHEHBSLRSDTNHS-ZJUUUORDSA-N 0 3 367.431 -0.300 20 0 FBADHN O=C1CCc2cc(S(=O)(=O)[N-]CCN3CC[NH2+]CC3)c(F)cc2N1 ZINC000440358021 484159806 /nfs/dbraw/zinc/15/98/06/484159806.db2.gz SFNLBAPDZQTCDB-UHFFFAOYSA-N 0 3 356.423 -0.106 20 0 FBADHN C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC1 ZINC000440359224 484159335 /nfs/dbraw/zinc/15/93/35/484159335.db2.gz VHSFBGPNQIAVGI-SECBINFHSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC1 ZINC000440359227 484159820 /nfs/dbraw/zinc/15/98/20/484159820.db2.gz VHSFBGPNQIAVGI-VIFPVBQESA-N 0 3 367.431 -0.218 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NCCCNCc1cccnc1 ZINC000440362682 484160153 /nfs/dbraw/zinc/16/01/53/484160153.db2.gz GNZSOLPQUQINRW-UHFFFAOYSA-N 0 3 364.493 -0.580 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000440372740 484160207 /nfs/dbraw/zinc/16/02/07/484160207.db2.gz ORBYFDLYHHXHCJ-AWEZNQCLSA-N 0 3 368.459 -0.034 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000440372741 484160282 /nfs/dbraw/zinc/16/02/82/484160282.db2.gz ORBYFDLYHHXHCJ-CQSZACIVSA-N 0 3 368.459 -0.034 20 0 FBADHN C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000440406125 484161758 /nfs/dbraw/zinc/16/17/58/484161758.db2.gz GAHVZFOWSMOEQN-NXEZZACHSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000440406129 484160778 /nfs/dbraw/zinc/16/07/78/484160778.db2.gz GAHVZFOWSMOEQN-UWVGGRQHSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000440406133 484161433 /nfs/dbraw/zinc/16/14/33/484161433.db2.gz GAHVZFOWSMOEQN-VHSXEESVSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000440406137 484161791 /nfs/dbraw/zinc/16/17/91/484161791.db2.gz GAHVZFOWSMOEQN-ZJUUUORDSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@@H]1C[NH3+] ZINC000440409642 484161383 /nfs/dbraw/zinc/16/13/83/484161383.db2.gz OFGQPVUFJBRDPI-BXKDBHETSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H]1C[NH3+] ZINC000440409643 484161018 /nfs/dbraw/zinc/16/10/18/484161018.db2.gz OFGQPVUFJBRDPI-CABZTGNLSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@@H]1C[NH3+] ZINC000440409644 484160811 /nfs/dbraw/zinc/16/08/11/484160811.db2.gz OFGQPVUFJBRDPI-JOYOIKCWSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H]1C[NH3+] ZINC000440409645 484161641 /nfs/dbraw/zinc/16/16/41/484161641.db2.gz OFGQPVUFJBRDPI-SKDRFNHKSA-N 0 3 367.431 -0.218 20 0 FBADHN C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@H]1[NH3+] ZINC000440413953 484161450 /nfs/dbraw/zinc/16/14/50/484161450.db2.gz OCIGGITTZJPNPV-GZMMTYOYSA-N 0 3 353.404 -0.608 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@@H]1[NH3+] ZINC000440413955 484160896 /nfs/dbraw/zinc/16/08/96/484160896.db2.gz OCIGGITTZJPNPV-KCJUWKMLSA-N 0 3 353.404 -0.608 20 0 FBADHN C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@@H]1[NH3+] ZINC000440413958 484161228 /nfs/dbraw/zinc/16/12/28/484161228.db2.gz OCIGGITTZJPNPV-KWQFWETISA-N 0 3 353.404 -0.608 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@H]1[NH3+] ZINC000440413960 484161278 /nfs/dbraw/zinc/16/12/78/484161278.db2.gz OCIGGITTZJPNPV-LDYMZIIASA-N 0 3 353.404 -0.608 20 0 FBADHN C[NH2+]CC1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC1 ZINC000440426457 484162826 /nfs/dbraw/zinc/16/28/26/484162826.db2.gz BVHTXAWJJFGMHE-UHFFFAOYSA-N 0 3 367.431 -0.346 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cnc21 ZINC000440441723 484162912 /nfs/dbraw/zinc/16/29/12/484162912.db2.gz OLQAPMIRGBDHMN-JTQLQIEISA-N 0 3 365.415 -0.451 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cnc21 ZINC000440441725 484162261 /nfs/dbraw/zinc/16/22/61/484162261.db2.gz OLQAPMIRGBDHMN-SNVBAGLBSA-N 0 3 365.415 -0.451 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)c2)CC1 ZINC000440472700 484163806 /nfs/dbraw/zinc/16/38/06/484163806.db2.gz LITKCKYQCTXXHV-AWEZNQCLSA-N 0 3 359.430 -0.228 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)c2)CC1 ZINC000440472701 484163740 /nfs/dbraw/zinc/16/37/40/484163740.db2.gz LITKCKYQCTXXHV-CQSZACIVSA-N 0 3 359.430 -0.228 20 0 FBADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)cn2)CC1 ZINC000440477906 484164292 /nfs/dbraw/zinc/16/42/92/484164292.db2.gz ZXQPZEWRDNVEGZ-GFCCVEGCSA-N 0 3 361.402 -0.502 20 0 FBADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)cn2)CC1 ZINC000440477909 484163778 /nfs/dbraw/zinc/16/37/78/484163778.db2.gz ZXQPZEWRDNVEGZ-LBPRGKRZSA-N 0 3 361.402 -0.502 20 0 FBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000440478200 484164414 /nfs/dbraw/zinc/16/44/14/484164414.db2.gz KGVQNTPYHUFJQF-INIZCTEOSA-N 0 3 373.457 -0.233 20 0 FBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)cc2)CC1 ZINC000440478201 484164545 /nfs/dbraw/zinc/16/45/45/484164545.db2.gz KGVQNTPYHUFJQF-MRXNPFEDSA-N 0 3 373.457 -0.233 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1=O ZINC000440508128 484166190 /nfs/dbraw/zinc/16/61/90/484166190.db2.gz DMCFXVYYFYDVOL-IBGZPJMESA-N 0 3 372.425 -0.700 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1=O ZINC000440508132 484165137 /nfs/dbraw/zinc/16/51/37/484165137.db2.gz DMCFXVYYFYDVOL-LJQANCHMSA-N 0 3 372.425 -0.700 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440508355 484166061 /nfs/dbraw/zinc/16/60/61/484166061.db2.gz MVDBVNAGTYEXEL-GOSISDBHSA-N 0 3 358.398 -0.298 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440508359 484166145 /nfs/dbraw/zinc/16/61/45/484166145.db2.gz MVDBVNAGTYEXEL-SFHVURJKSA-N 0 3 358.398 -0.298 20 0 FBADHN CN1CC(=O)N(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000440510930 484165331 /nfs/dbraw/zinc/16/53/31/484165331.db2.gz HSFDVVXCRNGSPC-GOSISDBHSA-N 0 3 360.414 -0.366 20 0 FBADHN CN1CC(=O)N(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000440510931 484165351 /nfs/dbraw/zinc/16/53/51/484165351.db2.gz HSFDVVXCRNGSPC-SFHVURJKSA-N 0 3 360.414 -0.366 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000440512751 484165557 /nfs/dbraw/zinc/16/55/57/484165557.db2.gz KVLDXVRVXOSMAK-CYBMUJFWSA-N 0 3 362.386 -0.513 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000440512752 484165535 /nfs/dbraw/zinc/16/55/35/484165535.db2.gz KVLDXVRVXOSMAK-ZDUSSCGKSA-N 0 3 362.386 -0.513 20 0 FBADHN CN(CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)S(C)(=O)=O ZINC000440515227 484167789 /nfs/dbraw/zinc/16/77/89/484167789.db2.gz PEDMLNUNMBLDNY-INIZCTEOSA-N 0 3 355.460 -0.369 20 0 FBADHN CN(CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)S(C)(=O)=O ZINC000440515230 484167440 /nfs/dbraw/zinc/16/74/40/484167440.db2.gz PEDMLNUNMBLDNY-MRXNPFEDSA-N 0 3 355.460 -0.369 20 0 FBADHN NC(=O)Cn1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000440518653 484166780 /nfs/dbraw/zinc/16/67/80/484166780.db2.gz YFIOUPNZXDKVFZ-KRWDZBQOSA-N 0 3 358.402 -0.870 20 0 FBADHN NC(=O)Cn1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000440518655 484166928 /nfs/dbraw/zinc/16/69/28/484166928.db2.gz YFIOUPNZXDKVFZ-QGZVFWFLSA-N 0 3 358.402 -0.870 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC3([NH3+])CCCCC3)cnc21 ZINC000440526086 484167367 /nfs/dbraw/zinc/16/73/67/484167367.db2.gz KSFZMDQFJZNLPH-UHFFFAOYSA-N 0 3 367.431 -0.026 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)CC1=O ZINC000440684038 484171793 /nfs/dbraw/zinc/17/17/93/484171793.db2.gz ZUOYAJPMRUGTTK-ILXRZTDVSA-N 0 3 371.503 -0.035 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)CC1=O ZINC000440684042 484171708 /nfs/dbraw/zinc/17/17/08/484171708.db2.gz ZUOYAJPMRUGTTK-KFWWJZLASA-N 0 3 371.503 -0.035 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CC1=O ZINC000440684044 484171719 /nfs/dbraw/zinc/17/17/19/484171719.db2.gz ZUOYAJPMRUGTTK-QLFBSQMISA-N 0 3 371.503 -0.035 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CC1=O ZINC000440684046 484171377 /nfs/dbraw/zinc/17/13/77/484171377.db2.gz ZUOYAJPMRUGTTK-RBSFLKMASA-N 0 3 371.503 -0.035 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)NCCNC(=O)N(C)C)c1 ZINC000440737140 484173153 /nfs/dbraw/zinc/17/31/53/484173153.db2.gz BANVRDOGJIWARQ-UHFFFAOYSA-N 0 3 365.434 -0.047 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)cc1 ZINC000440772594 484174738 /nfs/dbraw/zinc/17/47/38/484174738.db2.gz RBONPUPPHDCXIJ-UHFFFAOYSA-N 0 3 374.401 -0.095 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000440787052 484174773 /nfs/dbraw/zinc/17/47/73/484174773.db2.gz UVKVDOGWCLBONG-UHFFFAOYSA-N 0 3 374.401 -0.095 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@H]3CCC[NH2+]3)cnc21 ZINC000440806286 484176148 /nfs/dbraw/zinc/17/61/48/484176148.db2.gz GEPZRVTYCRCRBC-SECBINFHSA-N 0 3 353.404 -0.546 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCC[C@@H](CC[NH3+])C3)cc2c(=O)[n-]c1=O ZINC000440809462 484176264 /nfs/dbraw/zinc/17/62/64/484176264.db2.gz SRKWMTHSWQONBL-JTQLQIEISA-N 0 3 367.431 -0.216 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCC[C@H](CC[NH3+])C3)cc2c(=O)[n-]c1=O ZINC000440809466 484176191 /nfs/dbraw/zinc/17/61/91/484176191.db2.gz SRKWMTHSWQONBL-SNVBAGLBSA-N 0 3 367.431 -0.216 20 0 FBADHN COCCNCCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000440824628 484176096 /nfs/dbraw/zinc/17/60/96/484176096.db2.gz HUETXUDZLYFAMA-UHFFFAOYSA-N 0 3 350.462 -0.255 20 0 FBADHN COCCNCCNS(=O)(=O)c1cc(CNC(C)=O)ccc1OC ZINC000440826326 484175952 /nfs/dbraw/zinc/17/59/52/484175952.db2.gz MGBKOFHGNFJEBG-UHFFFAOYSA-N 0 3 359.448 -0.154 20 0 FBADHN COCCNCCNS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 ZINC000440833649 484176366 /nfs/dbraw/zinc/17/63/66/484176366.db2.gz OZNBRVHFFHOQMB-UHFFFAOYSA-N 0 3 359.448 -0.089 20 0 FBADHN COCCNCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000440834109 484175773 /nfs/dbraw/zinc/17/57/73/484175773.db2.gz QHMMDFITWPZUQZ-UHFFFAOYSA-N 0 3 365.477 -0.549 20 0 FBADHN CCS(=O)(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1 ZINC000440838366 484176308 /nfs/dbraw/zinc/17/63/08/484176308.db2.gz QGZRPYMRZXQXDU-UHFFFAOYSA-N 0 3 350.462 -0.006 20 0 FBADHN C[NH2+]CCN(C)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000440847180 484175726 /nfs/dbraw/zinc/17/57/26/484175726.db2.gz MWIIHBRAUFZZHH-HNNXBMFYSA-N 0 3 370.431 -0.410 20 0 FBADHN C[NH2+]CCN(C)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000440847182 484176386 /nfs/dbraw/zinc/17/63/86/484176386.db2.gz MWIIHBRAUFZZHH-OAHLLOKOSA-N 0 3 370.431 -0.410 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NCc1cn(CC(=O)OC)nn1 ZINC000440847550 484176497 /nfs/dbraw/zinc/17/64/97/484176497.db2.gz TUGAQUVLBRKSNU-CYBMUJFWSA-N 0 3 354.411 -0.639 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NCc1cn(CC(=O)OC)nn1 ZINC000440847551 484175856 /nfs/dbraw/zinc/17/58/56/484175856.db2.gz TUGAQUVLBRKSNU-ZDUSSCGKSA-N 0 3 354.411 -0.639 20 0 FBADHN COCCCN1CCC(NC(=O)NCc2cn(CC(=O)OC)nn2)CC1 ZINC000440849411 484176006 /nfs/dbraw/zinc/17/60/06/484176006.db2.gz XXOJCBTZRGUNTB-UHFFFAOYSA-N 0 3 368.438 -0.249 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@]3(C)CCC[NH2+]C3)cnc21 ZINC000440860202 484176375 /nfs/dbraw/zinc/17/63/75/484176375.db2.gz OAURBDNVUHVFQO-HNNXBMFYSA-N 0 3 367.431 -0.298 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@]3(C)CCC[NH2+]C3)cnc21 ZINC000440860205 484175569 /nfs/dbraw/zinc/17/55/69/484175569.db2.gz OAURBDNVUHVFQO-OAHLLOKOSA-N 0 3 367.431 -0.298 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)nn1 ZINC000440871226 484177425 /nfs/dbraw/zinc/17/74/25/484177425.db2.gz DNEWZCFXZDJXEY-AWEZNQCLSA-N 0 3 356.452 -0.312 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)NC[C@]2(N(C)C)CCSC2)nn1 ZINC000440871230 484177499 /nfs/dbraw/zinc/17/74/99/484177499.db2.gz DNEWZCFXZDJXEY-CQSZACIVSA-N 0 3 356.452 -0.312 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H](CO)c2ccc(F)cc2)n1 ZINC000440908173 484101843 /nfs/dbraw/zinc/10/18/43/484101843.db2.gz BBYNZTDKRDHLMS-AWEZNQCLSA-N 0 3 363.393 0.372 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@H](CO)c2ccc(F)cc2)n1 ZINC000440908178 484103698 /nfs/dbraw/zinc/10/36/98/484103698.db2.gz BBYNZTDKRDHLMS-CQSZACIVSA-N 0 3 363.393 0.372 20 0 FBADHN COCC(=O)N1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440926653 484178553 /nfs/dbraw/zinc/17/85/53/484178553.db2.gz YLSFAOLARVDARM-UHFFFAOYSA-N 0 3 369.510 -0.051 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440931638 484178095 /nfs/dbraw/zinc/17/80/95/484178095.db2.gz XNPHZQBYKMTZSA-CHWSQXEVSA-N 0 3 374.507 -0.438 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440931640 484178914 /nfs/dbraw/zinc/17/89/14/484178914.db2.gz XNPHZQBYKMTZSA-OLZOCXBDSA-N 0 3 374.507 -0.438 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000440931641 484178847 /nfs/dbraw/zinc/17/88/47/484178847.db2.gz XNPHZQBYKMTZSA-QWHCGFSZSA-N 0 3 374.507 -0.438 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000440931643 484179191 /nfs/dbraw/zinc/17/91/91/484179191.db2.gz XNPHZQBYKMTZSA-STQMWFEESA-N 0 3 374.507 -0.438 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000440938243 484177988 /nfs/dbraw/zinc/17/79/88/484177988.db2.gz VIFYTPYYTRZUNH-DZGCQCFKSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000440938244 484179109 /nfs/dbraw/zinc/17/91/09/484179109.db2.gz VIFYTPYYTRZUNH-HIFRSBDPSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000440938245 484178466 /nfs/dbraw/zinc/17/84/66/484178466.db2.gz VIFYTPYYTRZUNH-UKRRQHHQSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000440938246 484178276 /nfs/dbraw/zinc/17/82/76/484178276.db2.gz VIFYTPYYTRZUNH-ZFWWWQNUSA-N 0 3 365.478 -0.008 20 0 FBADHN O=C(CNC(=O)[C@@H]1CCCN1C1CCCC1)NCCN1CCOCC1 ZINC000440963762 483887617 /nfs/dbraw/zinc/88/76/17/483887617.db2.gz WGYQYFWYOSDOQW-INIZCTEOSA-N 0 3 352.479 -0.042 20 0 FBADHN O=C(CNC(=O)[C@H]1CCCN1C1CCCC1)NCCN1CCOCC1 ZINC000440963767 483887757 /nfs/dbraw/zinc/88/77/57/483887757.db2.gz WGYQYFWYOSDOQW-MRXNPFEDSA-N 0 3 352.479 -0.042 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000440967820 484406743 /nfs/dbraw/zinc/40/67/43/484406743.db2.gz XMADGKXGRNHORM-NEPJUHHUSA-N 0 3 365.434 0.476 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000440967821 484406873 /nfs/dbraw/zinc/40/68/73/484406873.db2.gz XMADGKXGRNHORM-NWDGAFQWSA-N 0 3 365.434 0.476 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000440967822 484406836 /nfs/dbraw/zinc/40/68/36/484406836.db2.gz XMADGKXGRNHORM-RYUDHWBXSA-N 0 3 365.434 0.476 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000440967823 484406634 /nfs/dbraw/zinc/40/66/34/484406634.db2.gz 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484180203 /nfs/dbraw/zinc/18/02/03/484180203.db2.gz AZEQYQAXVYILDH-UHFFFAOYSA-N 0 3 363.528 -0.361 20 0 FBADHN CN1CCN(CCNC(=O)NCCNC(=O)c2cnccn2)CC1(C)C ZINC000440977306 483888289 /nfs/dbraw/zinc/88/82/89/483888289.db2.gz IWBJFLHCOQMJBA-UHFFFAOYSA-N 0 3 363.466 -0.468 20 0 FBADHN CN1CCN(CCNC(=O)NCCC(=O)N2CCOCC2)CC1(C)C ZINC000440978109 484180463 /nfs/dbraw/zinc/18/04/63/484180463.db2.gz FMFHZKLFOXZDJI-UHFFFAOYSA-N 0 3 355.483 -0.440 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440979176 484180688 /nfs/dbraw/zinc/18/06/88/484180688.db2.gz CQARZDMVDVBGEQ-INIZCTEOSA-N 0 3 354.543 -0.053 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440979177 484180408 /nfs/dbraw/zinc/18/04/08/484180408.db2.gz CQARZDMVDVBGEQ-MRXNPFEDSA-N 0 3 354.543 -0.053 20 0 FBADHN CN1CCN(CCNC(=O)NCC(=O)NCC(F)(F)F)CC1(C)C ZINC000440981130 483888251 /nfs/dbraw/zinc/88/82/51/483888251.db2.gz NUVPLNQJDDCUDC-UHFFFAOYSA-N 0 3 353.389 -0.010 20 0 FBADHN CN1CCN(CCNC(=O)NCc2nnnn2CC2CC2)CC1(C)C ZINC000440983897 484179576 /nfs/dbraw/zinc/17/95/76/484179576.db2.gz NIVYZFIUMHADCM-UHFFFAOYSA-N 0 3 350.471 -0.092 20 0 FBADHN CN1CCN(CCNC(=O)NCCCN2C(=O)CCC2=O)CC1(C)C ZINC000440992091 483888667 /nfs/dbraw/zinc/88/86/67/483888667.db2.gz OIVMTHQZIBWBSA-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN CN1CCN(CCNC(=O)NCCCN2CCC[C@H]2C(N)=O)CC1(C)C ZINC000440993674 484181455 /nfs/dbraw/zinc/18/14/55/484181455.db2.gz RKDVVGSQLYYQPD-HNNXBMFYSA-N 0 3 368.526 -0.349 20 0 FBADHN CN1CCN(CCNC(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1(C)C ZINC000440993675 484182048 /nfs/dbraw/zinc/18/20/48/484182048.db2.gz RKDVVGSQLYYQPD-OAHLLOKOSA-N 0 3 368.526 -0.349 20 0 FBADHN CN1CCN(CCNC(=O)NCCN2CCCS2(=O)=O)CC1(C)C ZINC000440994589 484181564 /nfs/dbraw/zinc/18/15/64/484181564.db2.gz UUDWDUFSBQZRSK-UHFFFAOYSA-N 0 3 361.512 -0.653 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000441007956 484406395 /nfs/dbraw/zinc/40/63/95/484406395.db2.gz 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ZINC000441030957 484183177 /nfs/dbraw/zinc/18/31/77/484183177.db2.gz MAAZWHNYWRUCHA-UHFFFAOYSA-N 0 3 363.528 -0.359 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CNC2(CO)CCCC2)CC1 ZINC000441036300 484183631 /nfs/dbraw/zinc/18/36/31/484183631.db2.gz QSFWSYBBWBMUHR-UHFFFAOYSA-N 0 3 354.495 -0.060 20 0 FBADHN O=C(CNC1(CO)CCCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000441044148 484183096 /nfs/dbraw/zinc/18/30/96/484183096.db2.gz JCAGZRJPCIRCBJ-AWEZNQCLSA-N 0 3 359.492 -0.788 20 0 FBADHN O=C(CNC1(CO)CCCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000441044150 484184027 /nfs/dbraw/zinc/18/40/27/484184027.db2.gz JCAGZRJPCIRCBJ-CQSZACIVSA-N 0 3 359.492 -0.788 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CNC2(CO)CCCC2)cc1 ZINC000441050676 484183874 /nfs/dbraw/zinc/18/38/74/484183874.db2.gz LUTMTWMTFZVGAP-UHFFFAOYSA-N 0 3 355.460 -0.113 20 0 FBADHN CCOC(=O)CNC(=O)C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000441073664 484183389 /nfs/dbraw/zinc/18/33/89/484183389.db2.gz VZSTYVLCGQNSFY-UHFFFAOYSA-N 0 3 368.434 -0.292 20 0 FBADHN CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000441075140 484370312 /nfs/dbraw/zinc/37/03/12/484370312.db2.gz APXJVVQTNJLNGK-LBPRGKRZSA-N 0 3 353.423 0.183 20 0 FBADHN CCOC(=O)CNC(=O)C1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000441080757 484183028 /nfs/dbraw/zinc/18/30/28/484183028.db2.gz RWIYGLUTENLAPT-UHFFFAOYSA-N 0 3 363.480 -0.341 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000441095102 484354162 /nfs/dbraw/zinc/35/41/62/484354162.db2.gz ZNYCEMXTVSNINZ-KBPBESRZSA-N 0 3 350.467 0.324 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000441095103 484354589 /nfs/dbraw/zinc/35/45/89/484354589.db2.gz ZNYCEMXTVSNINZ-KGLIPLIRSA-N 0 3 350.467 0.324 20 0 FBADHN CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000441095104 484354271 /nfs/dbraw/zinc/35/42/71/484354271.db2.gz ZNYCEMXTVSNINZ-UONOGXRCSA-N 0 3 350.467 0.324 20 0 FBADHN CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000441095105 484354754 /nfs/dbraw/zinc/35/47/54/484354754.db2.gz ZNYCEMXTVSNINZ-ZIAGYGMSSA-N 0 3 350.467 0.324 20 0 FBADHN CCOC(=O)CNC(=O)C1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000441099349 484185492 /nfs/dbraw/zinc/18/54/92/484185492.db2.gz WMYMHXIIOUKJNX-HNNXBMFYSA-N 0 3 357.451 -0.929 20 0 FBADHN CCOC(=O)CNC(=O)C1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000441099365 484184786 /nfs/dbraw/zinc/18/47/86/484184786.db2.gz WMYMHXIIOUKJNX-OAHLLOKOSA-N 0 3 357.451 -0.929 20 0 FBADHN CCN(C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CCC1 ZINC000441102124 484185516 /nfs/dbraw/zinc/18/55/16/484185516.db2.gz HHPMVDNELKIMGA-UHFFFAOYSA-N 0 3 364.450 -0.100 20 0 FBADHN COC(=O)[C@@H](O)C1CCN(CCN2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000441242355 484187098 /nfs/dbraw/zinc/18/70/98/484187098.db2.gz GAJFDBPGGMKAEI-HOTGVXAUSA-N 0 3 372.462 -0.522 20 0 FBADHN COC(=O)[C@H](O)C1CCN(CCN2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000441242488 484187131 /nfs/dbraw/zinc/18/71/31/484187131.db2.gz GAJFDBPGGMKAEI-HZPDHXFCSA-N 0 3 372.462 -0.522 20 0 FBADHN COC(=O)[C@H](O)C1CCN(CCN2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000441242490 484187713 /nfs/dbraw/zinc/18/77/13/484187713.db2.gz GAJFDBPGGMKAEI-IYBDPMFKSA-N 0 3 372.462 -0.522 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N(C)CCC(=O)OC(C)(C)C)n1 ZINC000441248702 484094661 /nfs/dbraw/zinc/09/46/61/484094661.db2.gz VPGGHVFSISIRBV-UHFFFAOYSA-N 0 3 367.450 0.573 20 0 FBADHN COC(=O)[C@@H](O)C1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000441257826 484187009 /nfs/dbraw/zinc/18/70/09/484187009.db2.gz PHQXXXLUMAROGG-HNNXBMFYSA-N 0 3 372.443 -0.041 20 0 FBADHN COC(=O)[C@H](O)C1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000441257828 484187676 /nfs/dbraw/zinc/18/76/76/484187676.db2.gz PHQXXXLUMAROGG-OAHLLOKOSA-N 0 3 372.443 -0.041 20 0 FBADHN COC(=O)[C@@H](O)C1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000441268542 484187999 /nfs/dbraw/zinc/18/79/99/484187999.db2.gz RIVRPFJTZOKXKL-KRWDZBQOSA-N 0 3 353.463 -0.025 20 0 FBADHN COC(=O)[C@H](O)C1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000441268543 484187602 /nfs/dbraw/zinc/18/76/02/484187602.db2.gz RIVRPFJTZOKXKL-QGZVFWFLSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1=O ZINC000441307763 484180474 /nfs/dbraw/zinc/18/04/74/484180474.db2.gz DZXLPNIJUROCPP-UHFFFAOYSA-N 0 3 364.450 -0.290 20 0 FBADHN COCCCOC1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000441309277 484187826 /nfs/dbraw/zinc/18/78/26/484187826.db2.gz OMHJVXJHGBNQEG-UHFFFAOYSA-N 0 3 353.423 -0.353 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000441310896 484189429 /nfs/dbraw/zinc/18/94/29/484189429.db2.gz MBMGWVJQRDZNBO-CABCVRRESA-N 0 3 367.494 -0.299 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000441310898 484189361 /nfs/dbraw/zinc/18/93/61/484189361.db2.gz MBMGWVJQRDZNBO-GJZGRUSLSA-N 0 3 367.494 -0.299 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000441310899 484188548 /nfs/dbraw/zinc/18/85/48/484188548.db2.gz MBMGWVJQRDZNBO-HUUCEWRRSA-N 0 3 367.494 -0.299 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000441310900 484188726 /nfs/dbraw/zinc/18/87/26/484188726.db2.gz MBMGWVJQRDZNBO-LSDHHAIUSA-N 0 3 367.494 -0.299 20 0 FBADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)CCN(C)C ZINC000441431361 484191200 /nfs/dbraw/zinc/19/12/00/484191200.db2.gz BPPHYKYEVYWVGV-UHFFFAOYSA-N 0 3 357.422 -0.116 20 0 FBADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NC[C@H](C)N(C)C ZINC000441493787 484193593 /nfs/dbraw/zinc/19/35/93/484193593.db2.gz BRCXMOOJMIEPNX-JTQLQIEISA-N 0 3 357.422 -0.069 20 0 FBADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NC[C@@H](C)N(C)C ZINC000441493789 484193608 /nfs/dbraw/zinc/19/36/08/484193608.db2.gz BRCXMOOJMIEPNX-SNVBAGLBSA-N 0 3 357.422 -0.069 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC23CCC3)cn1 ZINC000441511476 484193905 /nfs/dbraw/zinc/19/39/05/484193905.db2.gz FNELPYREMLLBJT-UHFFFAOYSA-N 0 3 362.434 -0.346 20 0 FBADHN Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cnn1C ZINC000441563998 484196245 /nfs/dbraw/zinc/19/62/45/484196245.db2.gz HZVZNBUPGYAERD-ZDUSSCGKSA-N 0 3 366.466 -0.124 20 0 FBADHN CC(C)C[C@H](NC(=O)C(=O)Nc1cnn(C)c1)C(=O)NCCN(C)C ZINC000441565538 484195959 /nfs/dbraw/zinc/19/59/59/484195959.db2.gz LUENLXZPYXBFLA-ZDUSSCGKSA-N 0 3 352.439 -0.433 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccon1 ZINC000441569409 484090870 /nfs/dbraw/zinc/09/08/70/484090870.db2.gz IBEMBGYBTFTETC-AWEZNQCLSA-N 0 3 373.413 0.018 20 0 FBADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000441594852 484197755 /nfs/dbraw/zinc/19/77/55/484197755.db2.gz WEXGVCHWVYZXIY-DZGCQCFKSA-N 0 3 351.403 -0.169 20 0 FBADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000441594853 484197927 /nfs/dbraw/zinc/19/79/27/484197927.db2.gz WEXGVCHWVYZXIY-HIFRSBDPSA-N 0 3 351.403 -0.169 20 0 FBADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000441594854 484197871 /nfs/dbraw/zinc/19/78/71/484197871.db2.gz WEXGVCHWVYZXIY-UKRRQHHQSA-N 0 3 351.403 -0.169 20 0 FBADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000441594855 484197822 /nfs/dbraw/zinc/19/78/22/484197822.db2.gz WEXGVCHWVYZXIY-ZFWWWQNUSA-N 0 3 351.403 -0.169 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@H](C)C[NH3+])s1 ZINC000441610399 484197508 /nfs/dbraw/zinc/19/75/08/484197508.db2.gz LDMHELNNAJKHNY-SECBINFHSA-N 0 3 362.477 -0.627 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C)C[NH3+])s1 ZINC000441610402 484197428 /nfs/dbraw/zinc/19/74/28/484197428.db2.gz LDMHELNNAJKHNY-VIFPVBQESA-N 0 3 362.477 -0.627 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)[C@@H](C)CN1C[C@H](O)Cn1cccn1 ZINC000441650351 484199446 /nfs/dbraw/zinc/19/94/46/484199446.db2.gz JFZDTZIUXSEYJV-FZDBZEDMSA-N 0 3 362.478 -0.104 20 0 FBADHN Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)nn1C ZINC000441684074 484269207 /nfs/dbraw/zinc/26/92/07/484269207.db2.gz DLVHDNFMOWEOFX-ZDUSSCGKSA-N 0 3 366.466 -0.124 20 0 FBADHN CC(C)C[C@H](NC(=O)C(=O)Nc1cncnc1)C(=O)NCCN(C)C ZINC000441692091 484200707 /nfs/dbraw/zinc/20/07/07/484200707.db2.gz OFCQGEDHYYSWKU-ZDUSSCGKSA-N 0 3 350.423 -0.376 20 0 FBADHN Cc1conc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000441694381 484445887 /nfs/dbraw/zinc/44/58/87/484445887.db2.gz XURBPRCQLOVBTI-LBPRGKRZSA-N 0 3 353.423 0.130 20 0 FBADHN Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)n(C)n1 ZINC000441703440 484200827 /nfs/dbraw/zinc/20/08/27/484200827.db2.gz INKCIUFZZIMQNW-ZDUSSCGKSA-N 0 3 366.466 -0.124 20 0 FBADHN CC(C)C[C@H](NC(=O)C(=O)Nc1ccnn1C)C(=O)NCCN(C)C ZINC000441705224 484200805 /nfs/dbraw/zinc/20/08/05/484200805.db2.gz RUBVBAGUVOHGCU-LBPRGKRZSA-N 0 3 352.439 -0.433 20 0 FBADHN Cc1ncc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cn1 ZINC000441705582 484199903 /nfs/dbraw/zinc/19/99/03/484199903.db2.gz MDOIBQNPKVDBPV-AWEZNQCLSA-N 0 3 364.450 -0.068 20 0 FBADHN CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000441716101 484200667 /nfs/dbraw/zinc/20/06/67/484200667.db2.gz IQTGLHUCBKUCHH-ZDUSSCGKSA-N 0 3 366.418 -0.695 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)S(N)(=O)=O ZINC000441720376 484199873 /nfs/dbraw/zinc/19/98/73/484199873.db2.gz ZZWPRASTEISTRY-DYEKYZERSA-N 0 3 370.475 -0.413 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)S(N)(=O)=O ZINC000441720377 484200372 /nfs/dbraw/zinc/20/03/72/484200372.db2.gz ZZWPRASTEISTRY-MBNYWOFBSA-N 0 3 370.475 -0.413 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H](c1ccccc1)N(C)C ZINC000441720379 484200188 /nfs/dbraw/zinc/20/01/88/484200188.db2.gz ZZWPRASTEISTRY-OBJOEFQTSA-N 0 3 370.475 -0.413 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H](c1ccccc1)N(C)C ZINC000441720381 484200690 /nfs/dbraw/zinc/20/06/90/484200690.db2.gz ZZWPRASTEISTRY-SGMGOOAPSA-N 0 3 370.475 -0.413 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)n1 ZINC000441827706 484094825 /nfs/dbraw/zinc/09/48/25/484094825.db2.gz WHUGXYFEROQKAS-SECBINFHSA-N 0 3 351.329 -0.235 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)n1 ZINC000441827709 484094778 /nfs/dbraw/zinc/09/47/78/484094778.db2.gz WHUGXYFEROQKAS-VIFPVBQESA-N 0 3 351.329 -0.235 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000441831546 484203487 /nfs/dbraw/zinc/20/34/87/484203487.db2.gz CYFNUWSGFNAXPY-UHFFFAOYSA-N 0 3 363.418 -0.490 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000441832282 484203044 /nfs/dbraw/zinc/20/30/44/484203044.db2.gz CSDKXHQXKUBXCE-UHFFFAOYSA-N 0 3 365.434 -0.449 20 0 FBADHN CC(=O)NCc1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1 ZINC000441832454 484202733 /nfs/dbraw/zinc/20/27/33/484202733.db2.gz IAEBAAQXZMGMJZ-UHFFFAOYSA-N 0 3 350.419 -0.044 20 0 FBADHN CNC(=O)c1cccc(NC(=O)C(=O)NCCOCCN(C)C)c1C ZINC000441832722 484203273 /nfs/dbraw/zinc/20/32/73/484203273.db2.gz FYYJUTQLHMGWNO-UHFFFAOYSA-N 0 3 350.419 -0.012 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000441832857 484203988 /nfs/dbraw/zinc/20/39/88/484203988.db2.gz GRZHYCCUIJMKFD-UHFFFAOYSA-N 0 3 350.375 -0.236 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000441832910 484203610 /nfs/dbraw/zinc/20/36/10/484203610.db2.gz KVCHZDYZOYXFST-AWEZNQCLSA-N 0 3 362.430 -0.077 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000441832912 484203023 /nfs/dbraw/zinc/20/30/23/484203023.db2.gz KVCHZDYZOYXFST-CQSZACIVSA-N 0 3 362.430 -0.077 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1S(N)(=O)=O ZINC000441832975 484203079 /nfs/dbraw/zinc/20/30/79/484203079.db2.gz LDGRWYOCPZETHL-UHFFFAOYSA-N 0 3 372.447 -0.725 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1-n1cnnn1 ZINC000441833964 484203208 /nfs/dbraw/zinc/20/32/08/484203208.db2.gz BUODWVMFHRCDHG-UHFFFAOYSA-N 0 3 361.406 -0.396 20 0 FBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCOCCN(C)C)c1 ZINC000441834422 484203452 /nfs/dbraw/zinc/20/34/52/484203452.db2.gz RQXGTQFYMWCOJL-UHFFFAOYSA-N 0 3 361.406 -0.396 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000441834720 484013493 /nfs/dbraw/zinc/01/34/93/484013493.db2.gz SRKITQZRLJQDBX-UHFFFAOYSA-N 0 3 362.386 -0.455 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000441835696 484203677 /nfs/dbraw/zinc/20/36/77/484203677.db2.gz WDORUTQSIIVBOL-UHFFFAOYSA-N 0 3 360.418 -0.041 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000441837484 484203068 /nfs/dbraw/zinc/20/30/68/484203068.db2.gz MVCDMUAQKYSHBQ-UHFFFAOYSA-N 0 3 362.430 -0.052 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000441838081 484203223 /nfs/dbraw/zinc/20/32/23/484203223.db2.gz KSAIGPJQYYEWGD-UHFFFAOYSA-N 0 3 360.418 -0.041 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000441838412 484202792 /nfs/dbraw/zinc/20/27/92/484202792.db2.gz CICHVXGIGUNDKV-UHFFFAOYSA-N 0 3 369.443 -0.351 20 0 FBADHN C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc2n[n-]c(C(N)=O)c2c1 ZINC000441838420 484203827 /nfs/dbraw/zinc/20/38/27/484203827.db2.gz KYRIPKPCIUZWAG-UHFFFAOYSA-N 0 3 362.390 -0.705 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000441841128 484203710 /nfs/dbraw/zinc/20/37/10/484203710.db2.gz BNBBIFITLDDPIF-UHFFFAOYSA-N 0 3 365.434 -0.449 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000441841861 484203973 /nfs/dbraw/zinc/20/39/73/484203973.db2.gz SMZNPMTVBYPUCU-UHFFFAOYSA-N 0 3 350.375 -0.350 20 0 FBADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000441842084 484440927 /nfs/dbraw/zinc/44/09/27/484440927.db2.gz CTUDSKBSLBFXJF-CYBMUJFWSA-N 0 3 364.450 -0.148 20 0 FBADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000441842088 484449004 /nfs/dbraw/zinc/44/90/04/484449004.db2.gz CTUDSKBSLBFXJF-ZDUSSCGKSA-N 0 3 364.450 -0.148 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000441842320 484202807 /nfs/dbraw/zinc/20/28/07/484202807.db2.gz MSLKYNGTFVFYOC-UHFFFAOYSA-N 0 3 364.446 -0.050 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000441842385 484204027 /nfs/dbraw/zinc/20/40/27/484204027.db2.gz JBUOEIOHEFALAT-UHFFFAOYSA-N 0 3 364.402 -0.325 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000441843788 484203352 /nfs/dbraw/zinc/20/33/52/484203352.db2.gz LNHFEMSCWLVTCD-UHFFFAOYSA-N 0 3 360.418 -0.041 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000441843886 484203055 /nfs/dbraw/zinc/20/30/55/484203055.db2.gz PHMHYMVZPKIDGL-UHFFFAOYSA-N 0 3 363.418 -0.151 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000441844281 484203111 /nfs/dbraw/zinc/20/31/11/484203111.db2.gz QDKYHCIUQZFKDN-UHFFFAOYSA-N 0 3 365.369 -0.566 20 0 FBADHN COc1c(NC(=O)C(=O)NCCOCCN(C)C)cccc1C(N)=O ZINC000441844695 484203759 /nfs/dbraw/zinc/20/37/59/484203759.db2.gz HUQTWWWBOMJHNF-UHFFFAOYSA-N 0 3 352.391 -0.573 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000441847773 484203772 /nfs/dbraw/zinc/20/37/72/484203772.db2.gz WKIONGHPJXGBKK-UHFFFAOYSA-N 0 3 350.375 -0.236 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000441848723 484203927 /nfs/dbraw/zinc/20/39/27/484203927.db2.gz YLXMORQGCHYMBB-UHFFFAOYSA-N 0 3 363.418 -0.151 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000441849318 484093698 /nfs/dbraw/zinc/09/36/98/484093698.db2.gz XAMMSNAEICLQPR-UHFFFAOYSA-N 0 3 360.418 -0.041 20 0 FBADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCOCCN(C)C)c1 ZINC000441850008 484202924 /nfs/dbraw/zinc/20/29/24/484202924.db2.gz RZWZVZDEPPBKHT-UHFFFAOYSA-N 0 3 350.419 -0.012 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000441851250 484203854 /nfs/dbraw/zinc/20/38/54/484203854.db2.gz SNUFSCMSJODFBB-UHFFFAOYSA-N 0 3 360.418 -0.041 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000441853396 484092957 /nfs/dbraw/zinc/09/29/57/484092957.db2.gz BLTOABUXGXBLSY-UHFFFAOYSA-N 0 3 352.439 0.416 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCCN(C)C)c1 ZINC000441860569 484203236 /nfs/dbraw/zinc/20/32/36/484203236.db2.gz SCTQJLBKXZQDER-UHFFFAOYSA-N 0 3 372.447 -0.772 20 0 FBADHN Cc1ccc(-n2nccc2NC(=O)C(=O)NCCOCCN(C)C)nn1 ZINC000441861123 484203840 /nfs/dbraw/zinc/20/38/40/484203840.db2.gz 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/nfs/dbraw/zinc/25/61/59/484256159.db2.gz VKGCJJDTGSJKAX-CYBMUJFWSA-N 0 3 362.496 -0.052 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000443431114 484256416 /nfs/dbraw/zinc/25/64/16/484256416.db2.gz VKGCJJDTGSJKAX-ZDUSSCGKSA-N 0 3 362.496 -0.052 20 0 FBADHN CCN1CCN(C[C@@H](C)CNc2ccc(C(=O)NCCO)nn2)CC1 ZINC000443453516 484352538 /nfs/dbraw/zinc/35/25/38/484352538.db2.gz KOGLMPQGWSDWTB-AWEZNQCLSA-N 0 3 350.467 -0.116 20 0 FBADHN CCN1CCN(C[C@H](C)CNc2ccc(C(=O)NCCO)nn2)CC1 ZINC000443453518 484351657 /nfs/dbraw/zinc/35/16/57/484351657.db2.gz KOGLMPQGWSDWTB-CQSZACIVSA-N 0 3 350.467 -0.116 20 0 FBADHN CCCCN(C)CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443477723 484017026 /nfs/dbraw/zinc/01/70/26/484017026.db2.gz XPIPZTWWTLLZKI-UHFFFAOYSA-N 0 3 356.514 -0.870 20 0 FBADHN COCCN(CCOC)S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000443486983 484258854 /nfs/dbraw/zinc/25/88/54/484258854.db2.gz HWLMJSZIKOUHHS-UHFFFAOYSA-N 0 3 367.512 -0.349 20 0 FBADHN CC(C)N1CCC(O)(CNS(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000443495211 484259256 /nfs/dbraw/zinc/25/92/56/484259256.db2.gz XECOPDOYSRTXKU-UHFFFAOYSA-N 0 3 356.510 -0.424 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000443498043 484259216 /nfs/dbraw/zinc/25/92/16/484259216.db2.gz HRGMFTOKPHTFRR-UHFFFAOYSA-N 0 3 359.496 -0.771 20 0 FBADHN COC(=O)Cn1cc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)cn1 ZINC000443499846 484259094 /nfs/dbraw/zinc/25/90/94/484259094.db2.gz ITFIJZKXDFTQCD-UHFFFAOYSA-N 0 3 374.463 -0.430 20 0 FBADHN COC(=O)CCN(C)S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000443506187 484260478 /nfs/dbraw/zinc/26/04/78/484260478.db2.gz DOPGJBPJCYASEH-UHFFFAOYSA-N 0 3 351.469 -0.449 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000443512746 484260170 /nfs/dbraw/zinc/26/01/70/484260170.db2.gz TXHAESVLSPCDMS-UHFFFAOYSA-N 0 3 371.525 -0.920 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000443519789 484260275 /nfs/dbraw/zinc/26/02/75/484260275.db2.gz 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ZINC000443522757 484260318 /nfs/dbraw/zinc/26/03/18/484260318.db2.gz PXMCCDUIMUOOLT-AWEZNQCLSA-N 0 3 362.496 -0.050 20 0 FBADHN COCCCN1CCC(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443522893 484260762 /nfs/dbraw/zinc/26/07/62/484260762.db2.gz PXMCCDUIMUOOLT-CQSZACIVSA-N 0 3 362.496 -0.050 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000443523224 484026015 /nfs/dbraw/zinc/02/60/15/484026015.db2.gz REGPQVUMIHFWQC-UHFFFAOYSA-N 0 3 350.485 -0.335 20 0 FBADHN C[C@@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)CN1CCN(C)CC1 ZINC000443523360 484260219 /nfs/dbraw/zinc/26/02/19/484260219.db2.gz SENSJOXMUMNORL-KBPBESRZSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)CN1CCN(C)CC1 ZINC000443523361 484260109 /nfs/dbraw/zinc/26/01/09/484260109.db2.gz SENSJOXMUMNORL-KGLIPLIRSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)CN1CCN(C)CC1 ZINC000443523363 484260638 /nfs/dbraw/zinc/26/06/38/484260638.db2.gz SENSJOXMUMNORL-UONOGXRCSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)CN1CCN(C)CC1 ZINC000443523365 484260577 /nfs/dbraw/zinc/26/05/77/484260577.db2.gz SENSJOXMUMNORL-ZIAGYGMSSA-N 0 3 361.512 -0.668 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000443523718 484262278 /nfs/dbraw/zinc/26/22/78/484262278.db2.gz UABSMQZYPVAUCQ-UHFFFAOYSA-N 0 3 350.485 -0.335 20 0 FBADHN CN(C)CCN1CCC(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443541149 484262222 /nfs/dbraw/zinc/26/22/22/484262222.db2.gz KSCJPEVHAZXGOG-AWEZNQCLSA-N 0 3 361.512 -0.525 20 0 FBADHN CN(C)CCN1CCC(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443541150 484262364 /nfs/dbraw/zinc/26/23/64/484262364.db2.gz KSCJPEVHAZXGOG-CQSZACIVSA-N 0 3 361.512 -0.525 20 0 FBADHN C[C@H](CO)N(C[C@H](C)O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000443592731 484263363 /nfs/dbraw/zinc/26/33/63/484263363.db2.gz SRBDTSPISKWMDI-ILXRZTDVSA-N 0 3 358.483 -0.298 20 0 FBADHN C[C@H](O)CN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H](C)CO ZINC000443592733 484263159 /nfs/dbraw/zinc/26/31/59/484263159.db2.gz SRBDTSPISKWMDI-KKUMJFAQSA-N 0 3 358.483 -0.298 20 0 FBADHN C[C@H](CO)N(C[C@H](C)O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000443592735 484263711 /nfs/dbraw/zinc/26/37/11/484263711.db2.gz SRBDTSPISKWMDI-QLFBSQMISA-N 0 3 358.483 -0.298 20 0 FBADHN C[C@H](O)CN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H](C)CO ZINC000443592737 484263506 /nfs/dbraw/zinc/26/35/06/484263506.db2.gz SRBDTSPISKWMDI-SOUVJXGZSA-N 0 3 358.483 -0.298 20 0 FBADHN C[C@H]1CN(CCCCNC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H](C)O1 ZINC000443653183 484265496 /nfs/dbraw/zinc/26/54/96/484265496.db2.gz LPIGULKVVZHXEX-KBPBESRZSA-N 0 3 366.466 -0.015 20 0 FBADHN C[C@@H]1CN(CCCCNC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H](C)O1 ZINC000443653188 484265075 /nfs/dbraw/zinc/26/50/75/484265075.db2.gz LPIGULKVVZHXEX-OKILXGFUSA-N 0 3 366.466 -0.015 20 0 FBADHN C[C@@H]1CN(CCCCNC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H](C)O1 ZINC000443653189 484265525 /nfs/dbraw/zinc/26/55/25/484265525.db2.gz LPIGULKVVZHXEX-ZIAGYGMSSA-N 0 3 366.466 -0.015 20 0 FBADHN CCN1CCN(CC(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C(=O)C1=O ZINC000443671214 484266660 /nfs/dbraw/zinc/26/66/60/484266660.db2.gz BVDLFGTWKHDQLW-GASCZTMLSA-N 0 3 368.478 -0.317 20 0 FBADHN CCN1CCN(CC(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)C(=O)C1=O ZINC000443671215 484266446 /nfs/dbraw/zinc/26/64/46/484266446.db2.gz BVDLFGTWKHDQLW-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN CCN1CCN(CC(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C(=O)C1=O ZINC000443671216 484266695 /nfs/dbraw/zinc/26/66/95/484266695.db2.gz BVDLFGTWKHDQLW-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000443719050 484268403 /nfs/dbraw/zinc/26/84/03/484268403.db2.gz ARDMNRRUBOMOAE-AWEZNQCLSA-N 0 3 354.436 -0.532 20 0 FBADHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000443719075 484267927 /nfs/dbraw/zinc/26/79/27/484267927.db2.gz ARDMNRRUBOMOAE-CQSZACIVSA-N 0 3 354.436 -0.532 20 0 FBADHN NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCNc2ccncc2)cc1 ZINC000443723279 484268344 /nfs/dbraw/zinc/26/83/44/484268344.db2.gz KEVVTDIBQDZHKM-UHFFFAOYSA-N 0 3 362.411 -0.396 20 0 FBADHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000443733312 484267417 /nfs/dbraw/zinc/26/74/17/484267417.db2.gz OIRKGZNMMODBCD-AWEZNQCLSA-N 0 3 364.489 -0.178 20 0 FBADHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000443733319 484268365 /nfs/dbraw/zinc/26/83/65/484268365.db2.gz OIRKGZNMMODBCD-CQSZACIVSA-N 0 3 364.489 -0.178 20 0 FBADHN COc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1C(=O)N(C)C ZINC000443736550 484268094 /nfs/dbraw/zinc/26/80/94/484268094.db2.gz XJHKVQVTTVHNPQ-INIZCTEOSA-N 0 3 373.475 -0.012 20 0 FBADHN COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1C(=O)N(C)C ZINC000443736551 484268161 /nfs/dbraw/zinc/26/81/61/484268161.db2.gz XJHKVQVTTVHNPQ-MRXNPFEDSA-N 0 3 373.475 -0.012 20 0 FBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCOCCOC)CC1 ZINC000443746982 484268274 /nfs/dbraw/zinc/26/82/74/484268274.db2.gz RFYCDKPVBSLCHC-UHFFFAOYSA-N 0 3 365.496 -0.535 20 0 FBADHN 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CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000444647981 484295036 /nfs/dbraw/zinc/29/50/36/484295036.db2.gz IOKGNSJDVSRYAW-KGLIPLIRSA-N 0 3 359.492 -0.178 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC1=O ZINC000444647982 484294771 /nfs/dbraw/zinc/29/47/71/484294771.db2.gz IOKGNSJDVSRYAW-UONOGXRCSA-N 0 3 359.492 -0.178 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC1=O ZINC000444647983 484295388 /nfs/dbraw/zinc/29/53/88/484295388.db2.gz IOKGNSJDVSRYAW-ZIAGYGMSSA-N 0 3 359.492 -0.178 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000444666281 484295868 /nfs/dbraw/zinc/29/58/68/484295868.db2.gz RIBUCXHPTMXPKN-UHFFFAOYSA-N 0 3 361.406 -0.315 20 0 FBADHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000444670270 484295610 /nfs/dbraw/zinc/29/56/10/484295610.db2.gz GJNFZZURJIZPJH-UONOGXRCSA-N 0 3 361.508 -0.686 20 0 FBADHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000444670271 484295191 /nfs/dbraw/zinc/29/51/91/484295191.db2.gz GJNFZZURJIZPJH-ZIAGYGMSSA-N 0 3 361.508 -0.686 20 0 FBADHN COCCCS(=O)(=O)NCCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000444674338 484294564 /nfs/dbraw/zinc/29/45/64/484294564.db2.gz PAQYSVJKLIOTOO-AWEZNQCLSA-N 0 3 351.513 -0.281 20 0 FBADHN COCCCS(=O)(=O)NCCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000444674342 484295769 /nfs/dbraw/zinc/29/57/69/484295769.db2.gz PAQYSVJKLIOTOO-CQSZACIVSA-N 0 3 351.513 -0.281 20 0 FBADHN COCCN(C(=O)CN[C@H](CO)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000444680623 484295160 /nfs/dbraw/zinc/29/51/60/484295160.db2.gz QJXSROTWVBLHEL-CHWSQXEVSA-N 0 3 350.481 -0.355 20 0 FBADHN COCCN(C(=O)CN[C@H](CO)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000444680624 484295108 /nfs/dbraw/zinc/29/51/08/484295108.db2.gz QJXSROTWVBLHEL-QWHCGFSZSA-N 0 3 350.481 -0.355 20 0 FBADHN COCCN(C(=O)CN[C@@H](CO)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000444694450 484294807 /nfs/dbraw/zinc/29/48/07/484294807.db2.gz QJXSROTWVBLHEL-OLZOCXBDSA-N 0 3 350.481 -0.355 20 0 FBADHN COCCN(C(=O)CN[C@@H](CO)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000444694452 484295639 /nfs/dbraw/zinc/29/56/39/484295639.db2.gz QJXSROTWVBLHEL-STQMWFEESA-N 0 3 350.481 -0.355 20 0 FBADHN CC(C)(C)[C@H](CO)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000444700587 484296995 /nfs/dbraw/zinc/29/69/95/484296995.db2.gz GJNFZZURJIZPJH-KBPBESRZSA-N 0 3 361.508 -0.686 20 0 FBADHN CC(C)(C)[C@H](CO)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000444700588 484296689 /nfs/dbraw/zinc/29/66/89/484296689.db2.gz GJNFZZURJIZPJH-KGLIPLIRSA-N 0 3 361.508 -0.686 20 0 FBADHN CCS(=O)(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000444754927 484297769 /nfs/dbraw/zinc/29/77/69/484297769.db2.gz NJEOQDORAKNWSC-CYBMUJFWSA-N 0 3 359.492 -0.178 20 0 FBADHN CCS(=O)(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000444754928 484297551 /nfs/dbraw/zinc/29/75/51/484297551.db2.gz NJEOQDORAKNWSC-ZDUSSCGKSA-N 0 3 359.492 -0.178 20 0 FBADHN CCC[C@]1(CO)CCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000444764040 484297705 /nfs/dbraw/zinc/29/77/05/484297705.db2.gz AJIVMIPUJMGRNI-GOSISDBHSA-N 0 3 354.495 -0.154 20 0 FBADHN CCC[C@@]1(CO)CCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000444764041 484296457 /nfs/dbraw/zinc/29/64/57/484296457.db2.gz AJIVMIPUJMGRNI-SFHVURJKSA-N 0 3 354.495 -0.154 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN(CCO)C2CCOCC2)C1 ZINC000444769088 484298352 /nfs/dbraw/zinc/29/83/52/484298352.db2.gz HHFJJEXFFXVFNR-KRWDZBQOSA-N 0 3 357.495 -0.067 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN(CCO)C2CCOCC2)C1 ZINC000444769089 484299575 /nfs/dbraw/zinc/29/95/75/484299575.db2.gz HHFJJEXFFXVFNR-QGZVFWFLSA-N 0 3 357.495 -0.067 20 0 FBADHN CCO[C@H]1C[C@](CO)(NCCNS(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000444804932 484298606 /nfs/dbraw/zinc/29/86/06/484298606.db2.gz QIPZFSJDKPUADM-DZGCQCFKSA-N 0 3 360.480 -0.146 20 0 FBADHN CCO[C@@H]1C[C@@](CO)(NCCNS(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000444804933 484299487 /nfs/dbraw/zinc/29/94/87/484299487.db2.gz QIPZFSJDKPUADM-HIFRSBDPSA-N 0 3 360.480 -0.146 20 0 FBADHN CCO[C@@H]1C[C@](CO)(NCCNS(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000444804934 484299551 /nfs/dbraw/zinc/29/95/51/484299551.db2.gz QIPZFSJDKPUADM-UKRRQHHQSA-N 0 3 360.480 -0.146 20 0 FBADHN CCO[C@H]1C[C@@](CO)(NCCNS(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000444804935 484299583 /nfs/dbraw/zinc/29/95/83/484299583.db2.gz QIPZFSJDKPUADM-ZFWWWQNUSA-N 0 3 360.480 -0.146 20 0 FBADHN COCCCS(=O)(=O)NCCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444805395 484299166 /nfs/dbraw/zinc/29/91/66/484299166.db2.gz UVKGLYJBMQQRCG-AWEZNQCLSA-N 0 3 351.513 -0.281 20 0 FBADHN COCCCS(=O)(=O)NCCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444805396 484299346 /nfs/dbraw/zinc/29/93/46/484299346.db2.gz UVKGLYJBMQQRCG-CQSZACIVSA-N 0 3 351.513 -0.281 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000444907866 484107190 /nfs/dbraw/zinc/10/71/90/484107190.db2.gz XKOWATKOUQTUSZ-CHWSQXEVSA-N 0 3 372.495 0.427 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000444907976 484106436 /nfs/dbraw/zinc/10/64/36/484106436.db2.gz XKOWATKOUQTUSZ-OLZOCXBDSA-N 0 3 372.495 0.427 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000444907977 484107389 /nfs/dbraw/zinc/10/73/89/484107389.db2.gz XKOWATKOUQTUSZ-QWHCGFSZSA-N 0 3 372.495 0.427 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000444907978 484107183 /nfs/dbraw/zinc/10/71/83/484107183.db2.gz XKOWATKOUQTUSZ-STQMWFEESA-N 0 3 372.495 0.427 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c(OC)c1 ZINC000445040660 484300191 /nfs/dbraw/zinc/30/01/91/484300191.db2.gz VUEIRDCLRPYYHS-LLVKDONJSA-N 0 3 353.375 -0.541 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c(OC)c1 ZINC000445040661 484300234 /nfs/dbraw/zinc/30/02/34/484300234.db2.gz VUEIRDCLRPYYHS-NSHDSACASA-N 0 3 353.375 -0.541 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000445080938 484300389 /nfs/dbraw/zinc/30/03/89/484300389.db2.gz SZCOCTGXKFDRNO-UHFFFAOYSA-N 0 3 353.510 -0.281 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000445107038 484301959 /nfs/dbraw/zinc/30/19/59/484301959.db2.gz FJTCLAZKTAPWHG-AWEZNQCLSA-N 0 3 362.496 -0.052 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000445107039 484302775 /nfs/dbraw/zinc/30/27/75/484302775.db2.gz FJTCLAZKTAPWHG-CQSZACIVSA-N 0 3 362.496 -0.052 20 0 FBADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000445111538 484302480 /nfs/dbraw/zinc/30/24/80/484302480.db2.gz LKYCAVPSAJZXQX-HNNXBMFYSA-N 0 3 355.416 -0.036 20 0 FBADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000445111539 484301726 /nfs/dbraw/zinc/30/17/26/484301726.db2.gz LKYCAVPSAJZXQX-OAHLLOKOSA-N 0 3 355.416 -0.036 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c(OC)c1 ZINC000445117545 484302654 /nfs/dbraw/zinc/30/26/54/484302654.db2.gz RXEIYSHRZLBGBD-KRWDZBQOSA-N 0 3 365.386 -0.397 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c(OC)c1 ZINC000445117546 484302852 /nfs/dbraw/zinc/30/28/52/484302852.db2.gz RXEIYSHRZLBGBD-QGZVFWFLSA-N 0 3 365.386 -0.397 20 0 FBADHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000445118739 484302163 /nfs/dbraw/zinc/30/21/63/484302163.db2.gz UMNJHZCMQAAOAY-UHFFFAOYSA-N 0 3 363.414 -0.024 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000445130923 484301698 /nfs/dbraw/zinc/30/16/98/484301698.db2.gz INJRSEARMJKZTB-UHFFFAOYSA-N 0 3 351.329 -0.192 20 0 FBADHN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000445156320 484304145 /nfs/dbraw/zinc/30/41/45/484304145.db2.gz BLNRJSDHFAVQPD-CHWSQXEVSA-N 0 3 364.450 -0.196 20 0 FBADHN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000445156323 484303579 /nfs/dbraw/zinc/30/35/79/484303579.db2.gz BLNRJSDHFAVQPD-OLZOCXBDSA-N 0 3 364.450 -0.196 20 0 FBADHN C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000445156326 484303515 /nfs/dbraw/zinc/30/35/15/484303515.db2.gz BLNRJSDHFAVQPD-QWHCGFSZSA-N 0 3 364.450 -0.196 20 0 FBADHN C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000445156328 484303245 /nfs/dbraw/zinc/30/32/45/484303245.db2.gz BLNRJSDHFAVQPD-STQMWFEESA-N 0 3 364.450 -0.196 20 0 FBADHN COCCO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000445157072 484327464 /nfs/dbraw/zinc/32/74/64/484327464.db2.gz CHRCJCUNMBMXSQ-CYBMUJFWSA-N 0 3 353.423 -0.353 20 0 FBADHN COCCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000445157078 484328880 /nfs/dbraw/zinc/32/88/80/484328880.db2.gz CHRCJCUNMBMXSQ-ZDUSSCGKSA-N 0 3 353.423 -0.353 20 0 FBADHN COCCN(C)CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000445515584 484305519 /nfs/dbraw/zinc/30/55/19/484305519.db2.gz MSZCDNGCHVBOAE-INIZCTEOSA-N 0 3 369.510 -0.097 20 0 FBADHN COCCN(C)CCNC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000445515585 484305229 /nfs/dbraw/zinc/30/52/29/484305229.db2.gz MSZCDNGCHVBOAE-MRXNPFEDSA-N 0 3 369.510 -0.097 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2c(=O)[n-]c1=O ZINC000445553710 484975065 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/nfs/dbraw/zinc/09/87/75/484098775.db2.gz ZPSNJZUWUBJHGI-UHFFFAOYSA-N 0 3 352.439 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cn1 ZINC000446720532 484326416 /nfs/dbraw/zinc/32/64/16/484326416.db2.gz WCPGSJDMUNPIDQ-UHFFFAOYSA-N 0 3 350.423 -0.490 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCC2(CCO)CCCC2)n1 ZINC000446730695 484099812 /nfs/dbraw/zinc/09/98/12/484099812.db2.gz YRINEUXFSYXVDE-UHFFFAOYSA-N 0 3 351.451 0.442 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCNc1ccncc1 ZINC000446734471 484326832 /nfs/dbraw/zinc/32/68/32/484326832.db2.gz FPVYYMHHQPHEDK-LLVKDONJSA-N 0 3 352.420 -0.868 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCNc1ccncc1 ZINC000446734473 484327194 /nfs/dbraw/zinc/32/71/94/484327194.db2.gz FPVYYMHHQPHEDK-NSHDSACASA-N 0 3 352.420 -0.868 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCCNC(=O)C2CCC2)n1 ZINC000446734484 484100194 /nfs/dbraw/zinc/10/01/94/484100194.db2.gz KWPWCGUZUXUGDL-UHFFFAOYSA-N 0 3 364.450 -0.194 20 0 FBADHN CC(C)Cn1ccnc1CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446737719 484193721 /nfs/dbraw/zinc/19/37/21/484193721.db2.gz ZCEXTSXXSXSGEF-UHFFFAOYSA-N 0 3 361.450 0.552 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(n3ccnc3)CC2)n1 ZINC000446738146 484096363 /nfs/dbraw/zinc/09/63/63/484096363.db2.gz FLZWVVQPZLMOPN-UHFFFAOYSA-N 0 3 359.434 0.443 20 0 FBADHN COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000446738387 484279201 /nfs/dbraw/zinc/27/92/01/484279201.db2.gz HMXLFQLVXZHMTL-LBPRGKRZSA-N 0 3 351.407 -0.205 20 0 FBADHN CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446741844 484208452 /nfs/dbraw/zinc/20/84/52/484208452.db2.gz PALFEROOIJVOQB-GFCCVEGCSA-N 0 3 353.423 0.087 20 0 FBADHN CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446741845 484209587 /nfs/dbraw/zinc/20/95/87/484209587.db2.gz PALFEROOIJVOQB-LBPRGKRZSA-N 0 3 353.423 0.087 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)OC(C)(C)C ZINC000446743115 484478462 /nfs/dbraw/zinc/47/84/62/484478462.db2.gz TWAKHJXGXHTROH-LLVKDONJSA-N 0 3 353.423 0.230 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)OC(C)(C)C ZINC000446743116 484125878 /nfs/dbraw/zinc/12/58/78/484125878.db2.gz TWAKHJXGXHTROH-NSHDSACASA-N 0 3 353.423 0.230 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)NC(C)(C)C ZINC000446747368 484478633 /nfs/dbraw/zinc/47/86/33/484478633.db2.gz CVOOODAXWSQHAW-LLVKDONJSA-N 0 3 352.439 -0.197 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)NC(C)(C)C ZINC000446747369 484126349 /nfs/dbraw/zinc/12/63/49/484126349.db2.gz CVOOODAXWSQHAW-NSHDSACASA-N 0 3 352.439 -0.197 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)n1 ZINC000446747908 484097792 /nfs/dbraw/zinc/09/77/92/484097792.db2.gz JLCWFETZCHBBKB-UHFFFAOYSA-N 0 3 359.434 0.513 20 0 FBADHN COC(=O)C1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000446750511 484241422 /nfs/dbraw/zinc/24/14/22/484241422.db2.gz HDJQZQOFOMQZRX-UHFFFAOYSA-N 0 3 351.407 -0.205 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446769120 484355876 /nfs/dbraw/zinc/35/58/76/484355876.db2.gz PEWWZDIXEKQRJS-UHFFFAOYSA-N 0 3 352.439 -0.338 20 0 FBADHN CN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446769612 484327367 /nfs/dbraw/zinc/32/73/67/484327367.db2.gz MMWMFMCYGHXMMK-HNNXBMFYSA-N 0 3 364.450 -0.636 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446769613 484327121 /nfs/dbraw/zinc/32/71/21/484327121.db2.gz MMWMFMCYGHXMMK-OAHLLOKOSA-N 0 3 364.450 -0.636 20 0 FBADHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446771117 484196262 /nfs/dbraw/zinc/19/62/62/484196262.db2.gz UNRDHWXPBILFMB-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CC(C)N(C)CCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446772317 484328301 /nfs/dbraw/zinc/32/83/01/484328301.db2.gz GOFXGSSKVAWWDC-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000446773203 484329047 /nfs/dbraw/zinc/32/90/47/484329047.db2.gz BOYHLHVJCINYRP-CYBMUJFWSA-N 0 3 350.423 -0.442 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000446773208 484327840 /nfs/dbraw/zinc/32/78/40/484327840.db2.gz BOYHLHVJCINYRP-ZDUSSCGKSA-N 0 3 350.423 -0.442 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)Nc1ccccc1 ZINC000446774013 484478597 /nfs/dbraw/zinc/47/85/97/484478597.db2.gz SKRSXNOUFWZUEJ-CYBMUJFWSA-N 0 3 372.429 0.527 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)Nc1ccccc1 ZINC000446774017 484125241 /nfs/dbraw/zinc/12/52/41/484125241.db2.gz SKRSXNOUFWZUEJ-ZDUSSCGKSA-N 0 3 372.429 0.527 20 0 FBADHN CN(CCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC1 ZINC000446774034 484328239 /nfs/dbraw/zinc/32/82/39/484328239.db2.gz SOKHPQANAMOGCU-UHFFFAOYSA-N 0 3 364.450 -0.636 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCN(C)CC(F)(F)F)n1 ZINC000446774591 484098975 /nfs/dbraw/zinc/09/89/75/484098975.db2.gz HDQUOOVMIHFSHK-UHFFFAOYSA-N 0 3 364.372 -0.007 20 0 FBADHN CCN(C)CCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446777711 484328657 /nfs/dbraw/zinc/32/86/57/484328657.db2.gz SHNWZKDBYUMAJT-UHFFFAOYSA-N 0 3 352.439 -0.778 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446778576 484321477 /nfs/dbraw/zinc/32/14/77/484321477.db2.gz XMDCKMZYXVBFHT-AWEZNQCLSA-N 0 3 366.466 -0.390 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446778578 484321571 /nfs/dbraw/zinc/32/15/71/484321571.db2.gz XMDCKMZYXVBFHT-CQSZACIVSA-N 0 3 366.466 -0.390 20 0 FBADHN O=C(NCCNc1ccncc1)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000446784382 484328260 /nfs/dbraw/zinc/32/82/60/484328260.db2.gz JIIIJKKQFUQNAI-CYBMUJFWSA-N 0 3 358.402 -0.097 20 0 FBADHN O=C(NCCNc1ccncc1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000446784383 484328064 /nfs/dbraw/zinc/32/80/64/484328064.db2.gz JIIIJKKQFUQNAI-ZDUSSCGKSA-N 0 3 358.402 -0.097 20 0 FBADHN O=C(NCCNc1ccncc1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446785814 484257360 /nfs/dbraw/zinc/25/73/60/484257360.db2.gz NNPNNGREAWRHKU-UHFFFAOYSA-N 0 3 356.308 0.429 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCn2cnc3ccccc32)n1 ZINC000446788533 484099136 /nfs/dbraw/zinc/09/91/36/484099136.db2.gz XSYIBFRQNATKNB-UHFFFAOYSA-N 0 3 369.429 0.549 20 0 FBADHN O=C(NCCN1CCCC1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446789521 484328318 /nfs/dbraw/zinc/32/83/18/484328318.db2.gz GLSYQHVPNSJEAC-UHFFFAOYSA-N 0 3 364.450 -0.634 20 0 FBADHN CCn1nccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000446796859 484328414 /nfs/dbraw/zinc/32/84/14/484328414.db2.gz NNCXRATXCZAYKO-CYBMUJFWSA-N 0 3 362.434 -0.394 20 0 FBADHN CCn1nccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000446796860 484328676 /nfs/dbraw/zinc/32/86/76/484328676.db2.gz NNCXRATXCZAYKO-ZDUSSCGKSA-N 0 3 362.434 -0.394 20 0 FBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)CO)cc2)CC1 ZINC000446801146 484328526 /nfs/dbraw/zinc/32/85/26/484328526.db2.gz IAMKUAJFJMTCRA-INIZCTEOSA-N 0 3 364.446 -0.768 20 0 FBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc2)CC1 ZINC000446801147 484328932 /nfs/dbraw/zinc/32/89/32/484328932.db2.gz IAMKUAJFJMTCRA-MRXNPFEDSA-N 0 3 364.446 -0.768 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccncc3)C2)n1 ZINC000446805214 484099884 /nfs/dbraw/zinc/09/98/84/484099884.db2.gz BBYOZWUIRSRBKW-HNNXBMFYSA-N 0 3 372.429 0.458 20 0 FBADHN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000446806244 484400213 /nfs/dbraw/zinc/40/02/13/484400213.db2.gz MNUSTDOVTASSMY-ZDUSSCGKSA-N 0 3 365.434 0.185 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)n1 ZINC000446807070 484097622 /nfs/dbraw/zinc/09/76/22/484097622.db2.gz WDFCKGGYAFGELI-UHFFFAOYSA-N 0 3 359.434 0.513 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000446808661 484400194 /nfs/dbraw/zinc/40/01/94/484400194.db2.gz MNUSTDOVTASSMY-CYBMUJFWSA-N 0 3 365.434 0.185 20 0 FBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)CO)c2)CC1 ZINC000446813211 484330339 /nfs/dbraw/zinc/33/03/39/484330339.db2.gz DSNLTLUTVOTEMT-INIZCTEOSA-N 0 3 364.446 -0.375 20 0 FBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)CO)c2)CC1 ZINC000446813212 484330263 /nfs/dbraw/zinc/33/02/63/484330263.db2.gz DSNLTLUTVOTEMT-MRXNPFEDSA-N 0 3 364.446 -0.375 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2ccn3ccnc3c2)n1 ZINC000446815534 484101158 /nfs/dbraw/zinc/10/11/58/484101158.db2.gz VRAZQHSKQBGOIL-UHFFFAOYSA-N 0 3 355.402 0.347 20 0 FBADHN COC(=O)c1cccc(CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000446817388 484293263 /nfs/dbraw/zinc/29/32/63/484293263.db2.gz HLDRUKDIKRUKOO-UHFFFAOYSA-N 0 3 373.413 0.486 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)n1 ZINC000446821547 484441669 /nfs/dbraw/zinc/44/16/69/484441669.db2.gz PZIAXAIFMAFOKA-UHFFFAOYSA-N 0 3 360.418 0.146 20 0 FBADHN COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446821675 484257137 /nfs/dbraw/zinc/25/71/37/484257137.db2.gz RQYOQZHYANDKLW-GFCCVEGCSA-N 0 3 351.407 -0.063 20 0 FBADHN COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000446821676 484256052 /nfs/dbraw/zinc/25/60/52/484256052.db2.gz RQYOQZHYANDKLW-LBPRGKRZSA-N 0 3 351.407 -0.063 20 0 FBADHN 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/nfs/dbraw/zinc/33/26/60/484332660.db2.gz ONQCCBWPFGWNRK-HNNXBMFYSA-N 0 3 356.448 -0.492 20 0 FBADHN Cc1cc(CNC(=O)NC[C@]2(O)CCN(C)C2)ccc1S(N)(=O)=O ZINC000446983187 484332549 /nfs/dbraw/zinc/33/25/49/484332549.db2.gz ONQCCBWPFGWNRK-OAHLLOKOSA-N 0 3 356.448 -0.492 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000446998051 484333358 /nfs/dbraw/zinc/33/33/58/484333358.db2.gz CLGXUXZMSKCALB-CYBMUJFWSA-N 0 3 357.208 -0.035 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000446998052 484332940 /nfs/dbraw/zinc/33/29/40/484332940.db2.gz CLGXUXZMSKCALB-ZDUSSCGKSA-N 0 3 357.208 -0.035 20 0 FBADHN Cc1cc(CNC(=O)NCC2(O)CCN(C)CC2)ccc1S(N)(=O)=O ZINC000447000689 484332677 /nfs/dbraw/zinc/33/26/77/484332677.db2.gz KKLVZCQLZJEFDC-UHFFFAOYSA-N 0 3 370.475 -0.102 20 0 FBADHN CCN(CCO)CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1C ZINC000447012206 484335123 /nfs/dbraw/zinc/33/51/23/484335123.db2.gz ARRANSORJCXJRK-UHFFFAOYSA-N 0 3 358.464 -0.244 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 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484356376 /nfs/dbraw/zinc/35/63/76/484356376.db2.gz JQHQIXDUQZXQDH-ZDUSSCGKSA-N 0 3 355.526 -0.081 20 0 FBADHN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000447836698 484355958 /nfs/dbraw/zinc/35/59/58/484355958.db2.gz YLNILTHXQDGXPA-CVEARBPZSA-N 0 3 354.495 -0.156 20 0 FBADHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000447836699 484356486 /nfs/dbraw/zinc/35/64/86/484356486.db2.gz YLNILTHXQDGXPA-HOTGVXAUSA-N 0 3 354.495 -0.156 20 0 FBADHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000447836700 484356017 /nfs/dbraw/zinc/35/60/17/484356017.db2.gz YLNILTHXQDGXPA-HZPDHXFCSA-N 0 3 354.495 -0.156 20 0 FBADHN C[C@H](O)C[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000447836701 484356121 /nfs/dbraw/zinc/35/61/21/484356121.db2.gz YLNILTHXQDGXPA-JKSUJKDBSA-N 0 3 354.495 -0.156 20 0 FBADHN COC(=O)[C@@H]1CNC(=O)CN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000447907078 484358266 /nfs/dbraw/zinc/35/82/66/484358266.db2.gz ZITSVXWWGRUINB-CABCVRRESA-N 0 3 362.430 -0.621 20 0 FBADHN COC(=O)[C@@H]1CNC(=O)CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000447907079 484359151 /nfs/dbraw/zinc/35/91/51/484359151.db2.gz ZITSVXWWGRUINB-GJZGRUSLSA-N 0 3 362.430 -0.621 20 0 FBADHN COC(=O)[C@H]1CNC(=O)CN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000447907080 484358908 /nfs/dbraw/zinc/35/89/08/484358908.db2.gz ZITSVXWWGRUINB-HUUCEWRRSA-N 0 3 362.430 -0.621 20 0 FBADHN COC(=O)[C@H]1CNC(=O)CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000447907081 484359220 /nfs/dbraw/zinc/35/92/20/484359220.db2.gz ZITSVXWWGRUINB-LSDHHAIUSA-N 0 3 362.430 -0.621 20 0 FBADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000447916695 484359756 /nfs/dbraw/zinc/35/97/56/484359756.db2.gz VYRHULGEFZIFOH-KBPBESRZSA-N 0 3 351.403 -0.307 20 0 FBADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000447916696 484360070 /nfs/dbraw/zinc/36/00/70/484360070.db2.gz VYRHULGEFZIFOH-KGLIPLIRSA-N 0 3 351.403 -0.307 20 0 FBADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000447916697 484360258 /nfs/dbraw/zinc/36/02/58/484360258.db2.gz VYRHULGEFZIFOH-UONOGXRCSA-N 0 3 351.403 -0.307 20 0 FBADHN O=C(CN[C@H](CO)[C@H]1CCCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000447916698 484360343 /nfs/dbraw/zinc/36/03/43/484360343.db2.gz VYRHULGEFZIFOH-ZIAGYGMSSA-N 0 3 351.403 -0.307 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447917079 484360058 /nfs/dbraw/zinc/36/00/58/484360058.db2.gz WRSJSSDRZDHKNF-CABCVRRESA-N 0 3 370.494 -0.825 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447917083 484360393 /nfs/dbraw/zinc/36/03/93/484360393.db2.gz WRSJSSDRZDHKNF-GJZGRUSLSA-N 0 3 370.494 -0.825 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H](CO)[C@H]2CCCO2)CC1 ZINC000447917085 484360191 /nfs/dbraw/zinc/36/01/91/484360191.db2.gz WRSJSSDRZDHKNF-HUUCEWRRSA-N 0 3 370.494 -0.825 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447917086 484359768 /nfs/dbraw/zinc/35/97/68/484359768.db2.gz WRSJSSDRZDHKNF-LSDHHAIUSA-N 0 3 370.494 -0.825 20 0 FBADHN COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000447934680 484362017 /nfs/dbraw/zinc/36/20/17/484362017.db2.gz AFUWKHGMSQCDDV-CYBMUJFWSA-N 0 3 355.416 -0.590 20 0 FBADHN COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000447934681 484362440 /nfs/dbraw/zinc/36/24/40/484362440.db2.gz AFUWKHGMSQCDDV-ZDUSSCGKSA-N 0 3 355.416 -0.590 20 0 FBADHN COCCNc1nc(NCC2(C)COC2)nc(NCC2(C)COC2)n1 ZINC000448125749 483963497 /nfs/dbraw/zinc/96/34/97/483963497.db2.gz NTSSRYGEERLKBK-UHFFFAOYSA-N 0 3 352.439 -0.908 20 0 FBADHN COCCNc1nc(NC[C@H]2CCOC2)nc(NC[C@@H]2CCOC2)n1 ZINC000448133085 483967174 /nfs/dbraw/zinc/96/71/74/483967174.db2.gz UFCSJUGDUAMITA-BETUJISGSA-N 0 3 352.439 -0.908 20 0 FBADHN COCCNc1nc(NC[C@H]2CCOC2)nc(NC[C@H]2CCOC2)n1 ZINC000448133086 483968115 /nfs/dbraw/zinc/96/81/15/483968115.db2.gz UFCSJUGDUAMITA-CHWSQXEVSA-N 0 3 352.439 -0.908 20 0 FBADHN COCCNc1nc(NC[C@@H]2CCOC2)nc(NC[C@@H]2CCOC2)n1 ZINC000448133087 483967759 /nfs/dbraw/zinc/96/77/59/483967759.db2.gz 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484127161 /nfs/dbraw/zinc/12/71/61/484127161.db2.gz SMSQFFSROWGKBT-KBPBESRZSA-N 0 3 353.444 -0.162 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000448234955 484128173 /nfs/dbraw/zinc/12/81/73/484128173.db2.gz SMSQFFSROWGKBT-KGLIPLIRSA-N 0 3 353.444 -0.162 20 0 FBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000448234956 484128291 /nfs/dbraw/zinc/12/82/91/484128291.db2.gz SMSQFFSROWGKBT-UONOGXRCSA-N 0 3 353.444 -0.162 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000448234957 484127715 /nfs/dbraw/zinc/12/77/15/484127715.db2.gz SMSQFFSROWGKBT-ZIAGYGMSSA-N 0 3 353.444 -0.162 20 0 FBADHN C[C@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000448244025 484148201 /nfs/dbraw/zinc/14/82/01/484148201.db2.gz UPJMPLIISKZSEK-GXTWGEPZSA-N 0 3 353.444 -0.162 20 0 FBADHN C[C@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000448244031 484147327 /nfs/dbraw/zinc/14/73/27/484147327.db2.gz UPJMPLIISKZSEK-JSGCOSHPSA-N 0 3 353.444 -0.162 20 0 FBADHN C[C@@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000448244033 484147967 /nfs/dbraw/zinc/14/79/67/484147967.db2.gz UPJMPLIISKZSEK-OCCSQVGLSA-N 0 3 353.444 -0.162 20 0 FBADHN C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000448244036 484147671 /nfs/dbraw/zinc/14/76/71/484147671.db2.gz UPJMPLIISKZSEK-TZMCWYRMSA-N 0 3 353.444 -0.162 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000448265268 484163777 /nfs/dbraw/zinc/16/37/77/484163777.db2.gz XBYBKQLFIISJEV-INIZCTEOSA-N 0 3 369.487 -0.197 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000448265269 484162825 /nfs/dbraw/zinc/16/28/25/484162825.db2.gz XBYBKQLFIISJEV-MRXNPFEDSA-N 0 3 369.487 -0.197 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cn1 ZINC000448321990 484215377 /nfs/dbraw/zinc/21/53/77/484215377.db2.gz PGQVIJQEEYQUGI-CYBMUJFWSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cn1 ZINC000448321991 484215635 /nfs/dbraw/zinc/21/56/35/484215635.db2.gz PGQVIJQEEYQUGI-ZDUSSCGKSA-N 0 3 364.450 -0.196 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000448326057 484217051 /nfs/dbraw/zinc/21/70/51/484217051.db2.gz VZMSFKIDDPDFRP-GFCCVEGCSA-N 0 3 350.423 -0.457 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000448326058 484217523 /nfs/dbraw/zinc/21/75/23/484217523.db2.gz VZMSFKIDDPDFRP-LBPRGKRZSA-N 0 3 350.423 -0.457 20 0 FBADHN CN1CCC(O)(CNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1 ZINC000448355028 484222946 /nfs/dbraw/zinc/22/29/46/484222946.db2.gz MKIDKDARRYSNMO-UHFFFAOYSA-N 0 3 360.414 -0.065 20 0 FBADHN CCN1CCN(CCC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448420727 484242189 /nfs/dbraw/zinc/24/21/89/484242189.db2.gz GULWCUNEJUWBRJ-UHFFFAOYSA-N 0 3 369.491 -0.496 20 0 FBADHN CN1CCC(n2ccc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)n2)CC1 ZINC000448423263 484132609 /nfs/dbraw/zinc/13/26/09/484132609.db2.gz FITWCHDYSVGSFO-UHFFFAOYSA-N 0 3 360.418 -0.121 20 0 FBADHN C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448445256 484137354 /nfs/dbraw/zinc/13/73/54/484137354.db2.gz SNRQSSKXZMPJEV-KBPBESRZSA-N 0 3 351.451 0.535 20 0 FBADHN C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448445257 484483210 /nfs/dbraw/zinc/48/32/10/484483210.db2.gz SNRQSSKXZMPJEV-KGLIPLIRSA-N 0 3 351.451 0.535 20 0 FBADHN C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448445258 484136536 /nfs/dbraw/zinc/13/65/36/484136536.db2.gz SNRQSSKXZMPJEV-UONOGXRCSA-N 0 3 351.451 0.535 20 0 FBADHN C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448445259 484483729 /nfs/dbraw/zinc/48/37/29/484483729.db2.gz SNRQSSKXZMPJEV-ZIAGYGMSSA-N 0 3 351.451 0.535 20 0 FBADHN O=C(NCCNc1ccncc1)NCCNS(=O)(=O)c1cccnc1 ZINC000448471421 485363847 /nfs/dbraw/zinc/36/38/47/485363847.db2.gz LCUUUSMESWKABZ-UHFFFAOYSA-N 0 3 364.431 -0.412 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cn1 ZINC000448476765 485366110 /nfs/dbraw/zinc/36/61/10/485366110.db2.gz DDCUDTAKMQKGGA-GFCCVEGCSA-N 0 3 350.423 -0.584 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cn1 ZINC000448476766 485366399 /nfs/dbraw/zinc/36/63/99/485366399.db2.gz DDCUDTAKMQKGGA-LBPRGKRZSA-N 0 3 350.423 -0.584 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccccc2)n1 ZINC000448477444 484100033 /nfs/dbraw/zinc/10/00/33/484100033.db2.gz HFUZLSPSELOXIX-INIZCTEOSA-N 0 3 373.457 0.351 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccccc2)n1 ZINC000448477445 484101510 /nfs/dbraw/zinc/10/15/10/484101510.db2.gz HFUZLSPSELOXIX-MRXNPFEDSA-N 0 3 373.457 0.351 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)n1 ZINC000448478130 484094178 /nfs/dbraw/zinc/09/41/78/484094178.db2.gz KZHUPDHHKFIRKY-UHFFFAOYSA-N 0 3 352.439 -0.244 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cn1 ZINC000448478398 485367428 /nfs/dbraw/zinc/36/74/28/485367428.db2.gz NEWWLTIMBIQQJD-GFCCVEGCSA-N 0 3 350.423 -0.442 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cn1 ZINC000448478399 485367483 /nfs/dbraw/zinc/36/74/83/485367483.db2.gz NEWWLTIMBIQQJD-LBPRGKRZSA-N 0 3 350.423 -0.442 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cn1 ZINC000448478991 485367490 /nfs/dbraw/zinc/36/74/90/485367490.db2.gz RDOAAMRENCANQA-GFCCVEGCSA-N 0 3 350.423 -0.442 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cn1 ZINC000448478992 485367408 /nfs/dbraw/zinc/36/74/08/485367408.db2.gz RDOAAMRENCANQA-LBPRGKRZSA-N 0 3 350.423 -0.442 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCC(C)CC2)cn1 ZINC000448479295 485367697 /nfs/dbraw/zinc/36/76/97/485367697.db2.gz RYCPCYAPWCUIJF-UHFFFAOYSA-N 0 3 350.423 -0.584 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2cccnc2N(C)C)n1 ZINC000448479746 484102069 /nfs/dbraw/zinc/10/20/69/484102069.db2.gz WAOLFFUXTUCMHK-UHFFFAOYSA-N 0 3 359.434 0.161 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)nc2)n1 ZINC000448480009 484101954 /nfs/dbraw/zinc/10/19/54/484101954.db2.gz XVDAFXYGTMNAIV-UHFFFAOYSA-N 0 3 359.434 0.161 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCCCC2)cn1 ZINC000448480201 485368042 /nfs/dbraw/zinc/36/80/42/485368042.db2.gz YXTRPZFHZKITBA-UHFFFAOYSA-N 0 3 350.423 -0.440 20 0 FBADHN COc1ccc(CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1O ZINC000448483016 484424650 /nfs/dbraw/zinc/42/46/50/484424650.db2.gz ZHENMZNWCJPYEA-UHFFFAOYSA-N 0 3 361.402 0.414 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2cn3ccsc3n2)n1 ZINC000448483434 484102336 /nfs/dbraw/zinc/10/23/36/484102336.db2.gz KKSGAHYMZSBAGL-UHFFFAOYSA-N 0 3 361.431 0.409 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cn1 ZINC000448484069 483903374 /nfs/dbraw/zinc/90/33/74/483903374.db2.gz AUKLQODUCRDROY-CHWSQXEVSA-N 0 3 364.450 -0.053 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)cn1 ZINC000448484070 483904217 /nfs/dbraw/zinc/90/42/17/483904217.db2.gz AUKLQODUCRDROY-OLZOCXBDSA-N 0 3 364.450 -0.053 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cn1 ZINC000448484071 483904168 /nfs/dbraw/zinc/90/41/68/483904168.db2.gz AUKLQODUCRDROY-QWHCGFSZSA-N 0 3 364.450 -0.053 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cn1 ZINC000448484072 483904337 /nfs/dbraw/zinc/90/43/37/483904337.db2.gz AUKLQODUCRDROY-STQMWFEESA-N 0 3 364.450 -0.053 20 0 FBADHN CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000448484625 484368227 /nfs/dbraw/zinc/36/82/27/484368227.db2.gz TVBIIBCBEGOYGS-UHFFFAOYSA-N 0 3 365.434 0.185 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCc2cn3ccccc3n2)n1 ZINC000448486514 484098620 /nfs/dbraw/zinc/09/86/20/484098620.db2.gz WFJIYHAZKGDUBQ-UHFFFAOYSA-N 0 3 369.429 0.390 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccco3)CC2)n1 ZINC000448487594 484096716 /nfs/dbraw/zinc/09/67/16/484096716.db2.gz JMUBJABMCRAOQC-UHFFFAOYSA-N 0 3 374.445 0.321 20 0 FBADHN CCOc1ncccc1CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448487685 484425403 /nfs/dbraw/zinc/42/54/03/484425403.db2.gz KLHXAPINOBGCDH-UHFFFAOYSA-N 0 3 360.418 0.493 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)N(C)C ZINC000448491060 483909428 /nfs/dbraw/zinc/90/94/28/483909428.db2.gz SHVIARIVPXTCDL-CYBMUJFWSA-N 0 3 352.439 -0.780 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)N(C)C ZINC000448491064 483909976 /nfs/dbraw/zinc/90/99/76/483909976.db2.gz SHVIARIVPXTCDL-ZDUSSCGKSA-N 0 3 352.439 -0.780 20 0 FBADHN COC(=O)CC1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000448498389 484241079 /nfs/dbraw/zinc/24/10/79/484241079.db2.gz ZRYSQDJSQCBMHY-UHFFFAOYSA-N 0 3 365.434 0.185 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)cn1 ZINC000448499888 483917006 /nfs/dbraw/zinc/91/70/06/483917006.db2.gz WDTLRHSTPRNPJC-AWEZNQCLSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)cn1 ZINC000448499889 483917181 /nfs/dbraw/zinc/91/71/81/483917181.db2.gz WDTLRHSTPRNPJC-CQSZACIVSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cn1 ZINC000448501823 483926747 /nfs/dbraw/zinc/92/67/47/483926747.db2.gz TUMLUYIATNKIPI-AWEZNQCLSA-N 0 3 362.434 -0.346 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cn1 ZINC000448501824 483925927 /nfs/dbraw/zinc/92/59/27/483925927.db2.gz TUMLUYIATNKIPI-CQSZACIVSA-N 0 3 362.434 -0.346 20 0 FBADHN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448502714 484434341 /nfs/dbraw/zinc/43/43/41/484434341.db2.gz FHQWUBVADONNGD-GFCCVEGCSA-N 0 3 352.439 -0.196 20 0 FBADHN CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448502715 484445207 /nfs/dbraw/zinc/44/52/07/484445207.db2.gz FHQWUBVADONNGD-LBPRGKRZSA-N 0 3 352.439 -0.196 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2cccc3c2OCO3)n1 ZINC000448504207 484102019 /nfs/dbraw/zinc/10/20/19/484102019.db2.gz PNUQOXKIYYGTRS-UHFFFAOYSA-N 0 3 359.386 0.428 20 0 FBADHN C[C@@H](COCC(F)(F)F)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448511398 484475524 /nfs/dbraw/zinc/47/55/24/484475524.db2.gz GQILLSKWYIUAIK-JTQLQIEISA-N 0 3 365.356 0.467 20 0 FBADHN C[C@H](COCC(F)(F)F)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448511399 484120796 /nfs/dbraw/zinc/12/07/96/484120796.db2.gz GQILLSKWYIUAIK-SNVBAGLBSA-N 0 3 365.356 0.467 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)n1 ZINC000448511682 484100358 /nfs/dbraw/zinc/10/03/58/484100358.db2.gz VDXOSDDISRGWAV-UHFFFAOYSA-N 0 3 372.429 -0.071 20 0 FBADHN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448515018 484435174 /nfs/dbraw/zinc/43/51/74/484435174.db2.gz ZJEGWXVFXJAFEQ-NEPJUHHUSA-N 0 3 352.439 -0.197 20 0 FBADHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448515019 484445305 /nfs/dbraw/zinc/44/53/05/484445305.db2.gz ZJEGWXVFXJAFEQ-NWDGAFQWSA-N 0 3 352.439 -0.197 20 0 FBADHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448515020 484445564 /nfs/dbraw/zinc/44/55/64/484445564.db2.gz ZJEGWXVFXJAFEQ-RYUDHWBXSA-N 0 3 352.439 -0.197 20 0 FBADHN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448515021 484434412 /nfs/dbraw/zinc/43/44/12/484434412.db2.gz ZJEGWXVFXJAFEQ-VXGBXAGGSA-N 0 3 352.439 -0.197 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCOCC(F)(F)F)n1 ZINC000448516392 484099967 /nfs/dbraw/zinc/09/99/67/484099967.db2.gz WMFBTKMILMUNJC-UHFFFAOYSA-N 0 3 351.329 0.078 20 0 FBADHN COCCN(CCN(C)C)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448522597 483950168 /nfs/dbraw/zinc/95/01/68/483950168.db2.gz UQMUTJYCLSTVAM-UHFFFAOYSA-N 0 3 373.479 -0.421 20 0 FBADHN CN1CCC(O)(CNC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448524401 483954303 /nfs/dbraw/zinc/95/43/03/483954303.db2.gz HOWBHCSDTOWQKD-UHFFFAOYSA-N 0 3 371.463 -0.884 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000448526655 484101521 /nfs/dbraw/zinc/10/15/21/484101521.db2.gz BWKWUBRMYJYVIW-UHFFFAOYSA-N 0 3 359.386 0.428 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)cn1 ZINC000448527078 483959393 /nfs/dbraw/zinc/95/93/93/483959393.db2.gz GXSJSMIXLXQJFW-UHFFFAOYSA-N 0 3 364.450 -0.052 20 0 FBADHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448528823 484084494 /nfs/dbraw/zinc/08/44/94/484084494.db2.gz OUIIAWHPRWIMDG-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)n1 ZINC000448530165 484100212 /nfs/dbraw/zinc/10/02/12/484100212.db2.gz UWYURCNFWYSJRS-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000448530378 483965153 /nfs/dbraw/zinc/96/51/53/483965153.db2.gz VSHITMRXUGJVEZ-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000448531500 484434390 /nfs/dbraw/zinc/43/43/90/484434390.db2.gz SXAPFBWGWFRMFS-LLVKDONJSA-N 0 3 364.381 -0.308 20 0 FBADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000448531503 484434140 /nfs/dbraw/zinc/43/41/40/484434140.db2.gz SXAPFBWGWFRMFS-NSHDSACASA-N 0 3 364.381 -0.308 20 0 FBADHN CN(C)CCN1C(=O)C[C@H](N2CC(=O)N(CCC(F)(F)F)C2)C1=O ZINC000448554568 484045037 /nfs/dbraw/zinc/04/50/37/484045037.db2.gz HWRGEISZEDYHDD-JTQLQIEISA-N 0 3 350.341 -0.270 20 0 FBADHN CN(C)CCN1C(=O)C[C@@H](N2CC(=O)N(CCC(F)(F)F)C2)C1=O ZINC000448554569 484044904 /nfs/dbraw/zinc/04/49/04/484044904.db2.gz HWRGEISZEDYHDD-SNVBAGLBSA-N 0 3 350.341 -0.270 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000448600730 484104557 /nfs/dbraw/zinc/10/45/57/484104557.db2.gz KMGIPQRCLQEQQG-CYBMUJFWSA-N 0 3 352.401 -0.045 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000448600731 484104968 /nfs/dbraw/zinc/10/49/68/484104968.db2.gz KMGIPQRCLQEQQG-ZDUSSCGKSA-N 0 3 352.401 -0.045 20 0 FBADHN CC[C@@H](CNC(=O)CNS(=O)(=O)NC)N1CCc2ccccc2C1 ZINC000448681625 484236829 /nfs/dbraw/zinc/23/68/29/484236829.db2.gz NUVSPIFCUIWXIN-HNNXBMFYSA-N 0 3 354.476 -0.007 20 0 FBADHN CC[C@H](CNC(=O)CNS(=O)(=O)NC)N1CCc2ccccc2C1 ZINC000448681626 484236675 /nfs/dbraw/zinc/23/66/75/484236675.db2.gz NUVSPIFCUIWXIN-OAHLLOKOSA-N 0 3 354.476 -0.007 20 0 FBADHN COCCN(C)CCCNC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000448688904 484254418 /nfs/dbraw/zinc/25/44/18/484254418.db2.gz FGFIAEZBTGWTBO-UHFFFAOYSA-N 0 3 368.459 -0.003 20 0 FBADHN CNS(=O)(=O)NCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000448712518 484297812 /nfs/dbraw/zinc/29/78/12/484297812.db2.gz YRYWFRSFJOFXSH-UHFFFAOYSA-N 0 3 369.491 -0.896 20 0 FBADHN CNS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000448816390 484364718 /nfs/dbraw/zinc/36/47/18/484364718.db2.gz PDGBADANKDPCOH-UHFFFAOYSA-N 0 3 364.418 -0.091 20 0 FBADHN CNS(=O)(=O)NCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000448854852 484215909 /nfs/dbraw/zinc/21/59/09/484215909.db2.gz WDTCVSKZBKSLEA-UHFFFAOYSA-N 0 3 374.463 -0.694 20 0 FBADHN COCCN(C)CCNC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000448877616 484364878 /nfs/dbraw/zinc/36/48/78/484364878.db2.gz IELHDXNZGNUXLP-UHFFFAOYSA-N 0 3 354.432 -0.393 20 0 FBADHN CNS(=O)(=O)NCC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000448908240 484364339 /nfs/dbraw/zinc/36/43/39/484364339.db2.gz IOWVAAMHWYKJES-UHFFFAOYSA-N 0 3 358.464 -0.661 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc(C(C)=O)nn2)CC1 ZINC000448909250 483826697 /nfs/dbraw/zinc/82/66/97/483826697.db2.gz HUTSQCDUPSYBST-UHFFFAOYSA-N 0 3 350.423 -0.507 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000448913261 484364097 /nfs/dbraw/zinc/36/40/97/484364097.db2.gz SHYLWAJJKNPHHO-HNNXBMFYSA-N 0 3 372.491 -0.134 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000448913267 484364575 /nfs/dbraw/zinc/36/45/75/484364575.db2.gz SHYLWAJJKNPHHO-OAHLLOKOSA-N 0 3 372.491 -0.134 20 0 FBADHN COCCN(CCN(C)C)C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000448916207 484366536 /nfs/dbraw/zinc/36/65/36/484366536.db2.gz YTZAMZVMIGISKF-UHFFFAOYSA-N 0 3 368.459 -0.051 20 0 FBADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CNS(=O)(=O)NC ZINC000448949242 484365375 /nfs/dbraw/zinc/36/53/75/484365375.db2.gz HMSCNPQQSOIGHV-HNNXBMFYSA-N 0 3 369.491 -0.052 20 0 FBADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CNS(=O)(=O)NC ZINC000448949243 484366622 /nfs/dbraw/zinc/36/66/22/484366622.db2.gz HMSCNPQQSOIGHV-OAHLLOKOSA-N 0 3 369.491 -0.052 20 0 FBADHN CNS(=O)(=O)NCC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000448957627 484365673 /nfs/dbraw/zinc/36/56/73/484365673.db2.gz WPQURCMTMNTMKE-UHFFFAOYSA-N 0 3 370.475 -0.169 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(N)CCC3)CC2)C[C@H](C)O1 ZINC000449224949 484366387 /nfs/dbraw/zinc/36/63/87/484366387.db2.gz RZQWPPKSDRMKGM-BETUJISGSA-N 0 3 360.480 -0.634 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(N)CCC3)CC2)C[C@@H](C)O1 ZINC000449224950 484366637 /nfs/dbraw/zinc/36/66/37/484366637.db2.gz RZQWPPKSDRMKGM-CHWSQXEVSA-N 0 3 360.480 -0.634 20 0 FBADHN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(N)CCC3)CC2)C[C@H](C)O1 ZINC000449224951 484365803 /nfs/dbraw/zinc/36/58/03/484365803.db2.gz RZQWPPKSDRMKGM-STQMWFEESA-N 0 3 360.480 -0.634 20 0 FBADHN COC(=O)COC[C@@H](C)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000449329424 484367040 /nfs/dbraw/zinc/36/70/40/484367040.db2.gz OESNBYNJCSVOIN-CHWSQXEVSA-N 0 3 351.469 -0.185 20 0 FBADHN COC(=O)COC[C@@H](C)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000449329425 483778371 /nfs/dbraw/zinc/77/83/71/483778371.db2.gz OESNBYNJCSVOIN-OLZOCXBDSA-N 0 3 351.469 -0.185 20 0 FBADHN COC(=O)COC[C@H](C)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000449329426 483778274 /nfs/dbraw/zinc/77/82/74/483778274.db2.gz OESNBYNJCSVOIN-QWHCGFSZSA-N 0 3 351.469 -0.185 20 0 FBADHN COC(=O)COC[C@H](C)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000449329427 483778096 /nfs/dbraw/zinc/77/80/96/483778096.db2.gz OESNBYNJCSVOIN-STQMWFEESA-N 0 3 351.469 -0.185 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449693965 484367656 /nfs/dbraw/zinc/36/76/56/484367656.db2.gz GIJWYCYFQMKGJC-NEPJUHHUSA-N 0 3 358.439 -0.488 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449693966 484367231 /nfs/dbraw/zinc/36/72/31/484367231.db2.gz GIJWYCYFQMKGJC-NWDGAFQWSA-N 0 3 358.439 -0.488 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449693967 484367018 /nfs/dbraw/zinc/36/70/18/484367018.db2.gz GIJWYCYFQMKGJC-RYUDHWBXSA-N 0 3 358.439 -0.488 20 0 FBADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449693968 484367551 /nfs/dbraw/zinc/36/75/51/484367551.db2.gz GIJWYCYFQMKGJC-VXGBXAGGSA-N 0 3 358.439 -0.488 20 0 FBADHN CN1CC[NH2+]C[C@@H]1CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000449695814 484367892 /nfs/dbraw/zinc/36/78/92/484367892.db2.gz IXHLVQLOFBVARX-GFCCVEGCSA-N 0 3 357.414 -0.722 20 0 FBADHN CN1CC[NH2+]C[C@H]1CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000449695817 484367926 /nfs/dbraw/zinc/36/79/26/484367926.db2.gz IXHLVQLOFBVARX-LBPRGKRZSA-N 0 3 357.414 -0.722 20 0 FBADHN CN1CC[NH2+]C[C@@H]1CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000449698960 484366936 /nfs/dbraw/zinc/36/69/36/484366936.db2.gz NURDHZWVJVHXIN-GFCCVEGCSA-N 0 3 358.439 -0.486 20 0 FBADHN CN1CC[NH2+]C[C@H]1CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000449698963 484367754 /nfs/dbraw/zinc/36/77/54/484367754.db2.gz NURDHZWVJVHXIN-LBPRGKRZSA-N 0 3 358.439 -0.486 20 0 FBADHN CN1CCNC[C@@H]1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000449700475 484367356 /nfs/dbraw/zinc/36/73/56/484367356.db2.gz RJQSDJIMUXWDDT-LLVKDONJSA-N 0 3 351.432 -0.629 20 0 FBADHN CN1CCNC[C@H]1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000449700476 484367938 /nfs/dbraw/zinc/36/79/38/484367938.db2.gz RJQSDJIMUXWDDT-NSHDSACASA-N 0 3 351.432 -0.629 20 0 FBADHN O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449713923 484367410 /nfs/dbraw/zinc/36/74/10/484367410.db2.gz ZFRMIPQDCYDOAL-GFCCVEGCSA-N 0 3 358.398 -0.247 20 0 FBADHN O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449713924 484367867 /nfs/dbraw/zinc/36/78/67/484367867.db2.gz ZFRMIPQDCYDOAL-LBPRGKRZSA-N 0 3 358.398 -0.247 20 0 FBADHN COCCn1cc(N2C[C@@H](C(=O)NCCNc3ccncc3)CC2=O)cn1 ZINC000449812314 484367325 /nfs/dbraw/zinc/36/73/25/484367325.db2.gz BWDOBNTVPFHSAS-AWEZNQCLSA-N 0 3 372.429 -0.072 20 0 FBADHN COCCn1cc(N2C[C@H](C(=O)NCCNc3ccncc3)CC2=O)cn1 ZINC000449812315 484367336 /nfs/dbraw/zinc/36/73/36/484367336.db2.gz BWDOBNTVPFHSAS-CQSZACIVSA-N 0 3 372.429 -0.072 20 0 FBADHN COCCCN(C)CCNC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000449946430 484368746 /nfs/dbraw/zinc/36/87/46/484368746.db2.gz XDNCDQCHFCPYCM-UHFFFAOYSA-N 0 3 368.459 -0.003 20 0 FBADHN CNS(=O)(=O)NCC(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000450351280 484372531 /nfs/dbraw/zinc/37/25/31/484372531.db2.gz UNXGLZNXUHAUMN-UHFFFAOYSA-N 0 3 357.436 -0.453 20 0 FBADHN CN(C)CCOCCNC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000450432468 484371443 /nfs/dbraw/zinc/37/14/43/484371443.db2.gz ARJGWKCDTFHQDE-UHFFFAOYSA-N 0 3 354.432 -0.393 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000450447665 484372647 /nfs/dbraw/zinc/37/26/47/484372647.db2.gz XEWLXBSHQJRRKV-CABCVRRESA-N 0 3 370.475 -0.961 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000450447666 484372286 /nfs/dbraw/zinc/37/22/86/484372286.db2.gz XEWLXBSHQJRRKV-GJZGRUSLSA-N 0 3 370.475 -0.961 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000450447667 484371960 /nfs/dbraw/zinc/37/19/60/484371960.db2.gz XEWLXBSHQJRRKV-HUUCEWRRSA-N 0 3 370.475 -0.961 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000450447668 484371999 /nfs/dbraw/zinc/37/19/99/484371999.db2.gz XEWLXBSHQJRRKV-LSDHHAIUSA-N 0 3 370.475 -0.961 20 0 FBADHN CCNc1nc(NC[C@@]2(O)CCS(=O)(=O)C2)nc(NC(C)(C)C)n1 ZINC000450633118 484375480 /nfs/dbraw/zinc/37/54/80/484375480.db2.gz WVHSKAXPZNCQTP-AWEZNQCLSA-N 0 3 358.468 -0.681 20 0 FBADHN CCNc1nc(NC[C@]2(O)CCS(=O)(=O)C2)nc(NC(C)(C)C)n1 ZINC000450633119 484375621 /nfs/dbraw/zinc/37/56/21/484375621.db2.gz WVHSKAXPZNCQTP-CQSZACIVSA-N 0 3 358.468 -0.681 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)n1 ZINC000450655797 484375169 /nfs/dbraw/zinc/37/51/69/484375169.db2.gz XPJMDPPILFXISZ-BFHYXJOUSA-N 0 3 366.466 -0.694 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)n1 ZINC000450655798 484374326 /nfs/dbraw/zinc/37/43/26/484374326.db2.gz XPJMDPPILFXISZ-MCIONIFRSA-N 0 3 366.466 -0.694 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)n1 ZINC000450655799 484375433 /nfs/dbraw/zinc/37/54/33/484375433.db2.gz XPJMDPPILFXISZ-MGPQQGTHSA-N 0 3 366.466 -0.694 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)n1 ZINC000450655800 484374227 /nfs/dbraw/zinc/37/42/27/484374227.db2.gz XPJMDPPILFXISZ-MJBXVCDLSA-N 0 3 366.466 -0.694 20 0 FBADHN CCN(CCO)CCNC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000450677952 484375234 /nfs/dbraw/zinc/37/52/34/484375234.db2.gz HGDADGHWMVJADW-UHFFFAOYSA-N 0 3 354.432 -0.657 20 0 FBADHN CCn1ccnc1CNc1nc(NC)nc(NCc2nccn2CC)n1 ZINC000450688927 484375351 /nfs/dbraw/zinc/37/53/51/484375351.db2.gz XASRQMLKBLIBIN-UHFFFAOYSA-N 0 3 356.438 -0.164 20 0 FBADHN CNc1nc(N2C[C@@H]3CCN(C)[C@@H]3C2)nc(N2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000450781788 484374456 /nfs/dbraw/zinc/37/44/56/484374456.db2.gz UTODRCNOKXPDSB-BYNSBNAKSA-N 0 3 358.494 -0.384 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1 ZINC000450811759 484375416 /nfs/dbraw/zinc/37/54/16/484375416.db2.gz MEQRKJWYGYXBBR-HZSPNIEDSA-N 0 3 350.467 -0.073 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)n1 ZINC000450811790 484374590 /nfs/dbraw/zinc/37/45/90/484374590.db2.gz MEQRKJWYGYXBBR-MCIONIFRSA-N 0 3 350.467 -0.073 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1 ZINC000450811791 484375193 /nfs/dbraw/zinc/37/51/93/484375193.db2.gz MEQRKJWYGYXBBR-MGPQQGTHSA-N 0 3 350.467 -0.073 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)n1 ZINC000450811792 484375036 /nfs/dbraw/zinc/37/50/36/484375036.db2.gz MEQRKJWYGYXBBR-RDBSUJKOSA-N 0 3 350.467 -0.073 20 0 FBADHN CNS(=O)(=O)NCC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000450812000 660435119 /nfs/dbraw/zinc/43/51/19/660435119.db2.gz OYANCHZMPRTFMD-UHFFFAOYSA-N 0 3 370.475 -0.192 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[S@](=O)C(C)(C)CC2)n1 ZINC000450833630 484375294 /nfs/dbraw/zinc/37/52/94/484375294.db2.gz XGYFSYYMYHKTFR-DEOSSOPVSA-N 0 3 356.496 -0.323 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[S@@](=O)C(C)(C)CC2)n1 ZINC000450833639 484375638 /nfs/dbraw/zinc/37/56/38/484375638.db2.gz XGYFSYYMYHKTFR-XMMPIXPASA-N 0 3 356.496 -0.323 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000450871842 484377239 /nfs/dbraw/zinc/37/72/39/484377239.db2.gz BPYLJVYOGYHZIJ-NXEZZACHSA-N 0 3 364.372 -0.311 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000450871843 484377189 /nfs/dbraw/zinc/37/71/89/484377189.db2.gz BPYLJVYOGYHZIJ-UWVGGRQHSA-N 0 3 364.372 -0.311 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000450871844 484376293 /nfs/dbraw/zinc/37/62/93/484376293.db2.gz BPYLJVYOGYHZIJ-VHSXEESVSA-N 0 3 364.372 -0.311 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000450871845 484376821 /nfs/dbraw/zinc/37/68/21/484376821.db2.gz BPYLJVYOGYHZIJ-ZJUUUORDSA-N 0 3 364.372 -0.311 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2nc(-c3ccccn3)n[nH]2)n1 ZINC000450901487 484376652 /nfs/dbraw/zinc/37/66/52/484376652.db2.gz HVLMWNXOYTZEFG-UHFFFAOYSA-N 0 3 370.421 -0.846 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](NC(=O)N(C)C)C2)n1 ZINC000450923095 484378640 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CCN1CCN(c2cccc(NC(=O)CNS(=O)(=O)NC)c2)CC1 ZINC000450956304 484378054 /nfs/dbraw/zinc/37/80/54/484378054.db2.gz GMZBUTWEXCXSSY-UHFFFAOYSA-N 0 3 355.464 -0.179 20 0 FBADHN CNS(=O)(=O)NCC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000451084568 484381597 /nfs/dbraw/zinc/38/15/97/484381597.db2.gz PWPKBYJOPAARRS-INIZCTEOSA-N 0 3 370.475 -0.864 20 0 FBADHN CNS(=O)(=O)NCC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000451084610 484381360 /nfs/dbraw/zinc/38/13/60/484381360.db2.gz PWPKBYJOPAARRS-MRXNPFEDSA-N 0 3 370.475 -0.864 20 0 FBADHN CCOC(=O)[C@H]1CN(CCc2cn(CC(=O)OC)nn2)CC12COC2 ZINC000451137515 659900225 /nfs/dbraw/zinc/90/02/25/659900225.db2.gz PCUVDZIWCLFXOL-CYBMUJFWSA-N 0 3 352.391 -0.495 20 0 FBADHN CCOC(=O)[C@@H]1CN(CCc2cn(CC(=O)OC)nn2)CC12COC2 ZINC000451137516 659900311 /nfs/dbraw/zinc/90/03/11/659900311.db2.gz PCUVDZIWCLFXOL-ZDUSSCGKSA-N 0 3 352.391 -0.495 20 0 FBADHN CCOC(=O)[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC12COC2 ZINC000451141808 659900097 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484461864 /nfs/dbraw/zinc/46/18/64/484461864.db2.gz DQJCOMATAJLAOC-QWHCGFSZSA-N 0 3 350.485 -0.289 20 0 FBADHN C[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)N1CCC[C@H](C)C1 ZINC000457696706 484461578 /nfs/dbraw/zinc/46/15/78/484461578.db2.gz DQJCOMATAJLAOC-STQMWFEESA-N 0 3 350.485 -0.289 20 0 FBADHN C[C@H](CNC(=O)NCCOCCS(N)(=O)=O)N1CCCC[C@H]1C ZINC000457699281 484461483 /nfs/dbraw/zinc/46/14/83/484461483.db2.gz GMCRELVGYNDXBO-CHWSQXEVSA-N 0 3 350.485 -0.146 20 0 FBADHN C[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)N1CCCC[C@H]1C ZINC000457699282 484462062 /nfs/dbraw/zinc/46/20/62/484462062.db2.gz GMCRELVGYNDXBO-OLZOCXBDSA-N 0 3 350.485 -0.146 20 0 FBADHN C[C@H](CNC(=O)NCCOCCS(N)(=O)=O)N1CCCC[C@@H]1C ZINC000457699283 484461535 /nfs/dbraw/zinc/46/15/35/484461535.db2.gz GMCRELVGYNDXBO-QWHCGFSZSA-N 0 3 350.485 -0.146 20 0 FBADHN C[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)N1CCCC[C@@H]1C ZINC000457699284 484462424 /nfs/dbraw/zinc/46/24/24/484462424.db2.gz GMCRELVGYNDXBO-STQMWFEESA-N 0 3 350.485 -0.146 20 0 FBADHN 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CC[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C(=O)N1CCOCC1 ZINC000458537271 484479689 /nfs/dbraw/zinc/47/96/89/484479689.db2.gz TUJBZPRVZUFMKI-HUUCEWRRSA-N 0 3 356.467 -0.230 20 0 FBADHN CC[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(=O)N1CCOCC1 ZINC000458537272 484478693 /nfs/dbraw/zinc/47/86/93/484478693.db2.gz TUJBZPRVZUFMKI-LSDHHAIUSA-N 0 3 356.467 -0.230 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CN1Cc1ccccc1 ZINC000458542314 484479402 /nfs/dbraw/zinc/47/94/02/484479402.db2.gz CZWNJXJMJHOSQR-GDBMZVCRSA-N 0 3 373.457 -0.012 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CN1Cc1ccccc1 ZINC000458542325 484479153 /nfs/dbraw/zinc/47/91/53/484479153.db2.gz CZWNJXJMJHOSQR-GOEBONIOSA-N 0 3 373.457 -0.012 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CN1Cc1ccccc1 ZINC000458542328 484479206 /nfs/dbraw/zinc/47/92/06/484479206.db2.gz CZWNJXJMJHOSQR-HOCLYGCPSA-N 0 3 373.457 -0.012 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CN1Cc1ccccc1 ZINC000458542331 484478652 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/nfs/dbraw/zinc/47/96/72/484479672.db2.gz IJRUCSNOQKRQGJ-UONOGXRCSA-N 0 3 362.496 -0.444 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458585036 484479606 /nfs/dbraw/zinc/47/96/06/484479606.db2.gz IJRUCSNOQKRQGJ-ZIAGYGMSSA-N 0 3 362.496 -0.444 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000458611724 484479197 /nfs/dbraw/zinc/47/91/97/484479197.db2.gz NEGZKIQOTLPACD-KBPBESRZSA-N 0 3 370.450 -0.704 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000458611728 484479567 /nfs/dbraw/zinc/47/95/67/484479567.db2.gz NEGZKIQOTLPACD-KGLIPLIRSA-N 0 3 370.450 -0.704 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000458611733 484479188 /nfs/dbraw/zinc/47/91/88/484479188.db2.gz NEGZKIQOTLPACD-UONOGXRCSA-N 0 3 370.450 -0.704 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000458611736 484479446 /nfs/dbraw/zinc/47/94/46/484479446.db2.gz NEGZKIQOTLPACD-ZIAGYGMSSA-N 0 3 370.450 -0.704 20 0 FBADHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000458618199 484479506 /nfs/dbraw/zinc/47/95/06/484479506.db2.gz LEDDQSILPQGCBG-AWEZNQCLSA-N 0 3 361.446 -0.154 20 0 FBADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000458618200 484479797 /nfs/dbraw/zinc/47/97/97/484479797.db2.gz LEDDQSILPQGCBG-CQSZACIVSA-N 0 3 361.446 -0.154 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)O1 ZINC000458624231 484479709 /nfs/dbraw/zinc/47/97/09/484479709.db2.gz NTEJTHWIUYZKIZ-ILXRZTDVSA-N 0 3 356.467 -0.232 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)O1 ZINC000458624232 484478912 /nfs/dbraw/zinc/47/89/12/484478912.db2.gz NTEJTHWIUYZKIZ-KFWWJZLASA-N 0 3 356.467 -0.232 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)O1 ZINC000458624233 484479737 /nfs/dbraw/zinc/47/97/37/484479737.db2.gz NTEJTHWIUYZKIZ-KKUMJFAQSA-N 0 3 356.467 -0.232 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)O1 ZINC000458624234 484479140 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COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000460074624 484536333 /nfs/dbraw/zinc/53/63/33/484536333.db2.gz KFICUYJKESIKQN-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000460074924 484537943 /nfs/dbraw/zinc/53/79/43/484537943.db2.gz AYIOPCVGGMXKOW-INIZCTEOSA-N 0 3 354.495 -0.156 20 0 FBADHN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000460074925 484537604 /nfs/dbraw/zinc/53/76/04/484537604.db2.gz AYIOPCVGGMXKOW-MRXNPFEDSA-N 0 3 354.495 -0.156 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000460075097 484537090 /nfs/dbraw/zinc/53/70/90/484537090.db2.gz KOYKEJDNTLVNPM-KBPBESRZSA-N 0 3 351.451 -0.397 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000460075098 484537995 /nfs/dbraw/zinc/53/79/95/484537995.db2.gz KOYKEJDNTLVNPM-KGLIPLIRSA-N 0 3 351.451 -0.397 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000460075099 484538243 /nfs/dbraw/zinc/53/82/43/484538243.db2.gz KOYKEJDNTLVNPM-UONOGXRCSA-N 0 3 351.451 -0.397 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000460075100 484537733 /nfs/dbraw/zinc/53/77/33/484537733.db2.gz KOYKEJDNTLVNPM-ZIAGYGMSSA-N 0 3 351.451 -0.397 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000460076464 484538413 /nfs/dbraw/zinc/53/84/13/484538413.db2.gz DGBWKQFEZBQWBD-UHFFFAOYSA-N 0 3 362.478 -0.003 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@H]1C ZINC000460077442 484537334 /nfs/dbraw/zinc/53/73/34/484537334.db2.gz PYMMKIMMRJMCCJ-IKGGRYGDSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@H]1C ZINC000460077443 484536610 /nfs/dbraw/zinc/53/66/10/484536610.db2.gz PYMMKIMMRJMCCJ-IXDOHACOSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@@H]1C ZINC000460077444 484537700 /nfs/dbraw/zinc/53/77/00/484537700.db2.gz PYMMKIMMRJMCCJ-ULQDDVLXSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@@H]1C ZINC000460077445 484538078 /nfs/dbraw/zinc/53/80/78/484538078.db2.gz PYMMKIMMRJMCCJ-YESZJQIVSA-N 0 3 366.506 -0.013 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000460077908 484538199 /nfs/dbraw/zinc/53/81/99/484538199.db2.gz GTICYTAPSTUCCL-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460081287 484537256 /nfs/dbraw/zinc/53/72/56/484537256.db2.gz LUMIDYWQUYMMQD-GOSISDBHSA-N 0 3 369.462 -0.033 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000460081288 484537551 /nfs/dbraw/zinc/53/75/51/484537551.db2.gz LUMIDYWQUYMMQD-SFHVURJKSA-N 0 3 369.462 -0.033 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000460081960 484537856 /nfs/dbraw/zinc/53/78/56/484537856.db2.gz MSJXGSTWXLRWOL-INIZCTEOSA-N 0 3 352.479 -0.138 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000460081961 484538050 /nfs/dbraw/zinc/53/80/50/484538050.db2.gz MSJXGSTWXLRWOL-MRXNPFEDSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460082256 484537962 /nfs/dbraw/zinc/53/79/62/484537962.db2.gz ZWTVJOJSIMDYGX-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460082257 484536955 /nfs/dbraw/zinc/53/69/55/484536955.db2.gz ZWTVJOJSIMDYGX-MRXNPFEDSA-N 0 3 352.479 -0.136 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000460085280 484536908 /nfs/dbraw/zinc/53/69/08/484536908.db2.gz XSSHFPMPRVTWHG-UHFFFAOYSA-N 0 3 374.507 -0.577 20 0 FBADHN CCCN(CCN1CCN(CC)CC1)C(=O)NCCN1C(=O)CNC1=O ZINC000460219456 484541226 /nfs/dbraw/zinc/54/12/26/484541226.db2.gz YIPSZARNGMFULT-UHFFFAOYSA-N 0 3 368.482 -0.403 20 0 FBADHN COc1cc(CNC(=O)NC[C@@]2(O)CCN(C)C2)ccc1OCC(N)=O ZINC000460231626 484541575 /nfs/dbraw/zinc/54/15/75/484541575.db2.gz CHPPVAHGLIYLBA-KRWDZBQOSA-N 0 3 366.418 -0.575 20 0 FBADHN COc1cc(CNC(=O)NC[C@]2(O)CCN(C)C2)ccc1OCC(N)=O ZINC000460231631 484541627 /nfs/dbraw/zinc/54/16/27/484541627.db2.gz CHPPVAHGLIYLBA-QGZVFWFLSA-N 0 3 366.418 -0.575 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000460234406 484541212 /nfs/dbraw/zinc/54/12/12/484541212.db2.gz HPZJAJXMYHKFJF-INIZCTEOSA-N 0 3 370.475 -0.528 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000460234407 484541370 /nfs/dbraw/zinc/54/13/70/484541370.db2.gz HPZJAJXMYHKFJF-MRXNPFEDSA-N 0 3 370.475 -0.528 20 0 FBADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000460235232 484266208 /nfs/dbraw/zinc/26/62/08/484266208.db2.gz REMXFOFXDLIVSU-HNNXBMFYSA-N 0 3 362.496 -0.444 20 0 FBADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000460235244 484266900 /nfs/dbraw/zinc/26/69/00/484266900.db2.gz REMXFOFXDLIVSU-OAHLLOKOSA-N 0 3 362.496 -0.444 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000460237857 484541161 /nfs/dbraw/zinc/54/11/61/484541161.db2.gz NPAVIMUZWOWFTR-INIZCTEOSA-N 0 3 370.475 -0.361 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000460237859 484541243 /nfs/dbraw/zinc/54/12/43/484541243.db2.gz NPAVIMUZWOWFTR-MRXNPFEDSA-N 0 3 370.475 -0.361 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000460239386 484541302 /nfs/dbraw/zinc/54/13/02/484541302.db2.gz ACKGYVHEFOYJER-HNNXBMFYSA-N 0 3 356.448 -0.669 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000460239391 484541103 /nfs/dbraw/zinc/54/11/03/484541103.db2.gz ACKGYVHEFOYJER-OAHLLOKOSA-N 0 3 356.448 -0.669 20 0 FBADHN C[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000460239460 484283029 /nfs/dbraw/zinc/28/30/29/484283029.db2.gz PVRIOASXKJXUJT-ABAIWWIYSA-N 0 3 356.448 -0.239 20 0 FBADHN C[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000460239488 484282435 /nfs/dbraw/zinc/28/24/35/484282435.db2.gz PVRIOASXKJXUJT-IAQYHMDHSA-N 0 3 356.448 -0.239 20 0 FBADHN C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000460239491 484282719 /nfs/dbraw/zinc/28/27/19/484282719.db2.gz PVRIOASXKJXUJT-NHYWBVRUSA-N 0 3 356.448 -0.239 20 0 FBADHN C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000460239507 484281779 /nfs/dbraw/zinc/28/17/79/484281779.db2.gz PVRIOASXKJXUJT-XHDPSFHLSA-N 0 3 356.448 -0.239 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000460243870 484541504 /nfs/dbraw/zinc/54/15/04/484541504.db2.gz ATKQONDHEMIORA-INIZCTEOSA-N 0 3 370.475 -0.197 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000460243871 484541015 /nfs/dbraw/zinc/54/10/15/484541015.db2.gz ATKQONDHEMIORA-MRXNPFEDSA-N 0 3 370.475 -0.197 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000460244201 484541003 /nfs/dbraw/zinc/54/10/03/484541003.db2.gz JDODOXFGGMDKJD-INIZCTEOSA-N 0 3 370.475 -0.197 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CNC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000460244202 484541444 /nfs/dbraw/zinc/54/14/44/484541444.db2.gz JDODOXFGGMDKJD-MRXNPFEDSA-N 0 3 370.475 -0.197 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000460245255 484541403 /nfs/dbraw/zinc/54/14/03/484541403.db2.gz VCOQNEQERTYHRZ-INIZCTEOSA-N 0 3 352.439 -0.863 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000460245256 484541597 /nfs/dbraw/zinc/54/15/97/484541597.db2.gz VCOQNEQERTYHRZ-MRXNPFEDSA-N 0 3 352.439 -0.863 20 0 FBADHN CCCNC(=O)CN1CCC(NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000460247898 484541659 /nfs/dbraw/zinc/54/16/59/484541659.db2.gz RAIYJXSIQWQLGD-KRWDZBQOSA-N 0 3 355.483 -0.657 20 0 FBADHN CCCNC(=O)CN1CCC(NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000460247906 484541197 /nfs/dbraw/zinc/54/11/97/484541197.db2.gz RAIYJXSIQWQLGD-QGZVFWFLSA-N 0 3 355.483 -0.657 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000460248124 484541320 /nfs/dbraw/zinc/54/13/20/484541320.db2.gz XIOGNGNTCKDLJW-INIZCTEOSA-N 0 3 367.450 -0.393 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000460248125 484540874 /nfs/dbraw/zinc/54/08/74/484540874.db2.gz XIOGNGNTCKDLJW-MRXNPFEDSA-N 0 3 367.450 -0.393 20 0 FBADHN COc1ccc(C(=O)NCCNC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000460250922 484541145 /nfs/dbraw/zinc/54/11/45/484541145.db2.gz LIXHGNDAYLSFNE-KRWDZBQOSA-N 0 3 350.419 -0.209 20 0 FBADHN COc1ccc(C(=O)NCCNC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000460250923 484541729 /nfs/dbraw/zinc/54/17/29/484541729.db2.gz LIXHGNDAYLSFNE-QGZVFWFLSA-N 0 3 350.419 -0.209 20 0 FBADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@]2(O)CCN(C)C2)s1 ZINC000460254806 484328292 /nfs/dbraw/zinc/32/82/92/484328292.db2.gz FOEFIHPNXLGJPD-CYBMUJFWSA-N 0 3 362.477 -0.478 20 0 FBADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)s1 ZINC000460254807 484327947 /nfs/dbraw/zinc/32/79/47/484327947.db2.gz FOEFIHPNXLGJPD-ZDUSSCGKSA-N 0 3 362.477 -0.478 20 0 FBADHN CNS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000460255370 484541387 /nfs/dbraw/zinc/54/13/87/484541387.db2.gz HHGSSSOMPJWOLB-HNNXBMFYSA-N 0 3 356.448 -0.540 20 0 FBADHN 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CNC(=O)N[C@@H]1CCN(CC2(CN3CC[C@H](NC(=O)NC)C3)COC2)C1 ZINC000466926957 484642532 /nfs/dbraw/zinc/64/25/32/484642532.db2.gz OBRYKDCDXDUKEC-OKILXGFUSA-N 0 3 368.482 -0.990 20 0 FBADHN CNC(=O)N[C@@H]1CCN(CC2(CN3CC[C@@H](NC(=O)NC)C3)COC2)C1 ZINC000466926958 484642578 /nfs/dbraw/zinc/64/25/78/484642578.db2.gz OBRYKDCDXDUKEC-ZIAGYGMSSA-N 0 3 368.482 -0.990 20 0 FBADHN CNC(=O)N[C@H]1CCN(CCOCCN2CC[C@H](NC(=O)NC)C2)C1 ZINC000466931251 484642135 /nfs/dbraw/zinc/64/21/35/484642135.db2.gz RYDNWHKTWJODLZ-KBPBESRZSA-N 0 3 356.471 -0.990 20 0 FBADHN CNC(=O)N[C@@H]1CCN(CCOCCN2CC[C@H](NC(=O)NC)C2)C1 ZINC000466931252 484641812 /nfs/dbraw/zinc/64/18/12/484641812.db2.gz RYDNWHKTWJODLZ-OKILXGFUSA-N 0 3 356.471 -0.990 20 0 FBADHN CNC(=O)N[C@@H]1CCN(CCOCCN2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466931253 484641496 /nfs/dbraw/zinc/64/14/96/484641496.db2.gz RYDNWHKTWJODLZ-ZIAGYGMSSA-N 0 3 356.471 -0.990 20 0 FBADHN NCCN(CCO)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000466988718 484643419 /nfs/dbraw/zinc/64/34/19/484643419.db2.gz SCLGWORXONUPTR-HNNXBMFYSA-N 0 3 361.508 -0.412 20 0 FBADHN NCCN(CCO)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000466988719 484643786 /nfs/dbraw/zinc/64/37/86/484643786.db2.gz SCLGWORXONUPTR-OAHLLOKOSA-N 0 3 361.508 -0.412 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cn1C ZINC000467050975 484643188 /nfs/dbraw/zinc/64/31/88/484643188.db2.gz MACDQITYQMTTBT-GWCFXTLKSA-N 0 3 355.464 -0.394 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cn1C ZINC000467050976 484643289 /nfs/dbraw/zinc/64/32/89/484643289.db2.gz MACDQITYQMTTBT-GXFFZTMASA-N 0 3 355.464 -0.394 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cn1C ZINC000467050977 484643913 /nfs/dbraw/zinc/64/39/13/484643913.db2.gz MACDQITYQMTTBT-MFKMUULPSA-N 0 3 355.464 -0.394 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cn1C ZINC000467050978 484643838 /nfs/dbraw/zinc/64/38/38/484643838.db2.gz MACDQITYQMTTBT-ZWNOBZJWSA-N 0 3 355.464 -0.394 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cn1C ZINC000467051181 484644000 /nfs/dbraw/zinc/64/40/00/484644000.db2.gz MIWQTUXRMCHFSI-BXUZGUMPSA-N 0 3 369.491 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cn1C ZINC000467051182 484644228 /nfs/dbraw/zinc/64/42/28/484644228.db2.gz MIWQTUXRMCHFSI-FZMZJTMJSA-N 0 3 369.491 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cn1C ZINC000467051183 484643309 /nfs/dbraw/zinc/64/33/09/484643309.db2.gz MIWQTUXRMCHFSI-RISCZKNCSA-N 0 3 369.491 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cn1C ZINC000467051184 484644968 /nfs/dbraw/zinc/64/49/68/484644968.db2.gz MIWQTUXRMCHFSI-SMDDNHRTSA-N 0 3 369.491 -0.004 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCC(OCCN(C)C)CC1 ZINC000467111662 484646591 /nfs/dbraw/zinc/64/65/91/484646591.db2.gz FZQGYTIIVSOOIW-UHFFFAOYSA-N 0 3 365.496 -0.489 20 0 FBADHN COC[C@H]1CCCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000467115752 484646488 /nfs/dbraw/zinc/64/64/88/484646488.db2.gz DFHCMAFVIHHVGJ-INIZCTEOSA-N 0 3 354.495 -0.033 20 0 FBADHN COC[C@@H]1CCCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000467115753 484646033 /nfs/dbraw/zinc/64/60/33/484646033.db2.gz DFHCMAFVIHHVGJ-MRXNPFEDSA-N 0 3 354.495 -0.033 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC(c3ncc[nH]3)CC2)CC1 ZINC000467138087 484646391 /nfs/dbraw/zinc/64/63/91/484646391.db2.gz NPAMDTZZPHXAQH-UHFFFAOYSA-N 0 3 362.478 -0.179 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000467181865 484647902 /nfs/dbraw/zinc/64/79/02/484647902.db2.gz PCWNPBFRKZDNRF-UHFFFAOYSA-N 0 3 360.418 -0.149 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000467235716 484649351 /nfs/dbraw/zinc/64/93/51/484649351.db2.gz NDXCOYDRXPEVNF-KBPBESRZSA-N 0 3 368.482 -0.358 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000467235717 484649214 /nfs/dbraw/zinc/64/92/14/484649214.db2.gz NDXCOYDRXPEVNF-KGLIPLIRSA-N 0 3 368.482 -0.358 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000467235718 484648999 /nfs/dbraw/zinc/64/89/99/484648999.db2.gz NDXCOYDRXPEVNF-UONOGXRCSA-N 0 3 368.482 -0.358 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000467235719 484649197 /nfs/dbraw/zinc/64/91/97/484649197.db2.gz NDXCOYDRXPEVNF-ZIAGYGMSSA-N 0 3 368.482 -0.358 20 0 FBADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCNc1ccncc1 ZINC000467244056 484649708 /nfs/dbraw/zinc/64/97/08/484649708.db2.gz RUUQDODHWXIPES-UHFFFAOYSA-N 0 3 360.374 -0.420 20 0 FBADHN COC(=O)c1cn(C2CN(C(=O)Nc3ccn(CCN(C)C)n3)C2)nn1 ZINC000467386980 484295043 /nfs/dbraw/zinc/29/50/43/484295043.db2.gz CPLHGQLZURNPKA-UHFFFAOYSA-N 0 3 362.394 -0.088 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000467462126 484653238 /nfs/dbraw/zinc/65/32/38/484653238.db2.gz ULWACVXTVGGJQZ-CABCVRRESA-N 0 3 354.499 -0.027 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000467462127 484654056 /nfs/dbraw/zinc/65/40/56/484654056.db2.gz ULWACVXTVGGJQZ-GJZGRUSLSA-N 0 3 354.499 -0.027 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000467462128 484653780 /nfs/dbraw/zinc/65/37/80/484653780.db2.gz ULWACVXTVGGJQZ-HUUCEWRRSA-N 0 3 354.499 -0.027 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000467462129 484653891 /nfs/dbraw/zinc/65/38/91/484653891.db2.gz ULWACVXTVGGJQZ-LSDHHAIUSA-N 0 3 354.499 -0.027 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)CC2 ZINC000467477484 484366542 /nfs/dbraw/zinc/36/65/42/484366542.db2.gz WVPDPMPQUSEDLV-GFCCVEGCSA-N 0 3 362.438 0.319 20 0 FBADHN COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)CC2 ZINC000467477485 484366576 /nfs/dbraw/zinc/36/65/76/484366576.db2.gz WVPDPMPQUSEDLV-LBPRGKRZSA-N 0 3 362.438 0.319 20 0 FBADHN Cc1cc(NC(=O)CSCC(=O)NCC2(O)CCN(C)CC2)no1 ZINC000467482052 484308240 /nfs/dbraw/zinc/30/82/40/484308240.db2.gz IFPXYQGSFWPOME-UHFFFAOYSA-N 0 3 356.448 0.228 20 0 FBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C(=O)Nc1cncnc1 ZINC000467486923 484655414 /nfs/dbraw/zinc/65/54/14/484655414.db2.gz RIJQAIVAJLGKRA-MRXNPFEDSA-N 0 3 355.398 -0.050 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)NCC2(O)CCN(C)CC2)ccc1OC ZINC000467488554 484655392 /nfs/dbraw/zinc/65/53/92/484655392.db2.gz SEMZKLIOCZCDGO-UHFFFAOYSA-N 0 3 371.459 -0.210 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000467545958 484656264 /nfs/dbraw/zinc/65/62/64/484656264.db2.gz IZBGKWLMXJXLNL-AWEZNQCLSA-N 0 3 374.507 -0.768 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000467545959 484656142 /nfs/dbraw/zinc/65/61/42/484656142.db2.gz IZBGKWLMXJXLNL-CQSZACIVSA-N 0 3 374.507 -0.768 20 0 FBADHN CCN1CCN(CCCCNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000467555695 484656242 /nfs/dbraw/zinc/65/62/42/484656242.db2.gz UXIQRQMUOHNYRX-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN Cc1cc(NC(=O)C(=O)NCCNc2ccncc2)n(-c2ncccn2)n1 ZINC000467619543 484657413 /nfs/dbraw/zinc/65/74/13/484657413.db2.gz ORAJGSJXAIFBBX-UHFFFAOYSA-N 0 3 366.385 -0.046 20 0 FBADHN CCN1CCN(CCC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000467641163 484659207 /nfs/dbraw/zinc/65/92/07/484659207.db2.gz PXWJUZMQCQHZOM-INIZCTEOSA-N 0 3 374.551 -0.409 20 0 FBADHN CCN1CCN(CCC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000467641169 484658872 /nfs/dbraw/zinc/65/88/72/484658872.db2.gz PXWJUZMQCQHZOM-MRXNPFEDSA-N 0 3 374.551 -0.409 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)CCC[NH+]2CCCC2)cn1C ZINC000467666450 484659774 /nfs/dbraw/zinc/65/97/74/484659774.db2.gz NNRJZUORDNYENB-UHFFFAOYSA-N 0 3 357.480 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(CC[NH3+])Cc2ccccc2)cn1C ZINC000467714929 484660330 /nfs/dbraw/zinc/66/03/30/484660330.db2.gz PGNGWRNUCONPKV-UHFFFAOYSA-N 0 3 365.459 -0.006 20 0 FBADHN CN(C)CC1(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000467723474 484661566 /nfs/dbraw/zinc/66/15/66/484661566.db2.gz DUHQUMYVYBIOML-UHFFFAOYSA-N 0 3 354.432 -0.127 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1(CN(C)C)CCC1 ZINC000467726136 484662036 /nfs/dbraw/zinc/66/20/36/484662036.db2.gz WOFNOZZJYCSYEH-UHFFFAOYSA-N 0 3 362.496 -0.579 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC2(C[NH+](C)C)CCC2)cn1C ZINC000467729605 484662006 /nfs/dbraw/zinc/66/20/06/484662006.db2.gz GXNRJVUSBSKILI-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN CNc1nc(N[C@H](C)Cn2cccn2)nc(N[C@@H](C)Cn2cccn2)n1 ZINC000467741582 484661004 /nfs/dbraw/zinc/66/10/04/484661004.db2.gz KQIZRPOHTZESFH-BETUJISGSA-N 0 3 356.438 -0.427 20 0 FBADHN CNc1nc(NCCN2CCCCC2)nc(NCCN2CCCCC2)n1 ZINC000467744583 484661422 /nfs/dbraw/zinc/66/14/22/484661422.db2.gz USGZBRWCJRUKRF-UHFFFAOYSA-N 0 3 362.526 -0.025 20 0 FBADHN CNc1nc(N[C@H](C)c2cnn(C)c2)nc(N[C@@H](C)c2cnn(C)c2)n1 ZINC000467792407 484662974 /nfs/dbraw/zinc/66/29/74/484662974.db2.gz FOGHPQJXQANGPI-PHIMTYICSA-N 0 3 356.438 -0.008 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000467806140 484664122 /nfs/dbraw/zinc/66/41/22/484664122.db2.gz POBWPRBSPJGFLQ-GXTWGEPZSA-N 0 3 374.507 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FBADHN CCn1nc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1C1CC1 ZINC000468458062 484474673 /nfs/dbraw/zinc/47/46/73/484474673.db2.gz DHTLNPQYDLHEET-UHFFFAOYSA-N 0 3 362.478 0.473 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000468484408 484683771 /nfs/dbraw/zinc/68/37/71/484683771.db2.gz QEWWTSVNBXJFDU-AWEZNQCLSA-N 0 3 360.524 -0.200 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000468484409 484683927 /nfs/dbraw/zinc/68/39/27/484683927.db2.gz QEWWTSVNBXJFDU-CQSZACIVSA-N 0 3 360.524 -0.200 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468491601 484684226 /nfs/dbraw/zinc/68/42/26/484684226.db2.gz IIAVYSZDVBWXFG-GFCCVEGCSA-N 0 3 368.459 -0.057 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468491602 484683907 /nfs/dbraw/zinc/68/39/07/484683907.db2.gz IIAVYSZDVBWXFG-LBPRGKRZSA-N 0 3 368.459 -0.057 20 0 FBADHN C[C@H](CNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)N(C)C ZINC000468493197 484683655 /nfs/dbraw/zinc/68/36/55/484683655.db2.gz UISQECBPSOVCIC-BXUZGUMPSA-N 0 3 360.414 -0.017 20 0 FBADHN C[C@@H](CNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)N(C)C ZINC000468493198 484683373 /nfs/dbraw/zinc/68/33/73/484683373.db2.gz UISQECBPSOVCIC-FZMZJTMJSA-N 0 3 360.414 -0.017 20 0 FBADHN C[C@H](CNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)N(C)C ZINC000468493199 484683557 /nfs/dbraw/zinc/68/35/57/484683557.db2.gz UISQECBPSOVCIC-RISCZKNCSA-N 0 3 360.414 -0.017 20 0 FBADHN C[C@@H](CNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)N(C)C ZINC000468493200 484684067 /nfs/dbraw/zinc/68/40/67/484684067.db2.gz UISQECBPSOVCIC-SMDDNHRTSA-N 0 3 360.414 -0.017 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1=O ZINC000468501834 484683670 /nfs/dbraw/zinc/68/36/70/484683670.db2.gz SLLGQSYASZGGJB-KBPBESRZSA-N 0 3 374.507 -0.673 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1=O ZINC000468501835 484683727 /nfs/dbraw/zinc/68/37/27/484683727.db2.gz SLLGQSYASZGGJB-KGLIPLIRSA-N 0 3 374.507 -0.673 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1=O ZINC000468501836 484683795 /nfs/dbraw/zinc/68/37/95/484683795.db2.gz SLLGQSYASZGGJB-UONOGXRCSA-N 0 3 374.507 -0.673 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1=O ZINC000468501837 484683705 /nfs/dbraw/zinc/68/37/05/484683705.db2.gz SLLGQSYASZGGJB-ZIAGYGMSSA-N 0 3 374.507 -0.673 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](CO)O1 ZINC000468503525 484683164 /nfs/dbraw/zinc/68/31/64/484683164.db2.gz CBVVDLPWIFDHQC-ILXRZTDVSA-N 0 3 356.467 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](CO)O1 ZINC000468503526 484683542 /nfs/dbraw/zinc/68/35/42/484683542.db2.gz CBVVDLPWIFDHQC-KFWWJZLASA-N 0 3 356.467 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](CO)O1 ZINC000468503527 484683632 /nfs/dbraw/zinc/68/36/32/484683632.db2.gz CBVVDLPWIFDHQC-QLFBSQMISA-N 0 3 356.467 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](CO)O1 ZINC000468503528 484684172 /nfs/dbraw/zinc/68/41/72/484684172.db2.gz CBVVDLPWIFDHQC-RBSFLKMASA-N 0 3 356.467 -0.280 20 0 FBADHN CCN1CCN(CCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000468507145 484683608 /nfs/dbraw/zinc/68/36/08/484683608.db2.gz WDENGGTYTAAXGK-HNNXBMFYSA-N 0 3 360.524 -0.056 20 0 FBADHN CCN1CCN(CCC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000468507147 484683265 /nfs/dbraw/zinc/68/32/65/484683265.db2.gz WDENGGTYTAAXGK-OAHLLOKOSA-N 0 3 360.524 -0.056 20 0 FBADHN CNc1nc(N2CCN3CCC2CC3)nc(N2CCN3CCC2CC3)n1 ZINC000468617056 484686155 /nfs/dbraw/zinc/68/61/55/484686155.db2.gz FIKVEESMIOZYLB-UHFFFAOYSA-N 0 3 358.494 -0.096 20 0 FBADHN COCCNc1nc(NC[C@H]2CCCO2)nc(NC[C@@H]2CCCO2)n1 ZINC000468642371 484687151 /nfs/dbraw/zinc/68/71/51/484687151.db2.gz KAMLHEWRFCZVPP-BETUJISGSA-N 0 3 352.439 -0.623 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)[C@@H]2CCCO2)CC1=O ZINC000468659278 484689906 /nfs/dbraw/zinc/68/99/06/484689906.db2.gz CUUMSQUUCKCASO-FPCVCCKLSA-N 0 3 353.463 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)[C@H]2CCCO2)CC1=O ZINC000468659279 484689839 /nfs/dbraw/zinc/68/98/39/484689839.db2.gz CUUMSQUUCKCASO-KLHDSHLOSA-N 0 3 353.463 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)[C@H]2CCCO2)CC1=O ZINC000468659280 484689647 /nfs/dbraw/zinc/68/96/47/484689647.db2.gz CUUMSQUUCKCASO-LVQVYYBASA-N 0 3 353.463 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)[C@@H]2CCCO2)CC1=O ZINC000468659281 484690107 /nfs/dbraw/zinc/69/01/07/484690107.db2.gz CUUMSQUUCKCASO-WCVJEAGWSA-N 0 3 353.463 -0.025 20 0 FBADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468660274 484689812 /nfs/dbraw/zinc/68/98/12/484689812.db2.gz QUYDFOTYIIKRCN-INIZCTEOSA-N 0 3 374.441 -0.301 20 0 FBADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468660275 484689526 /nfs/dbraw/zinc/68/95/26/484689526.db2.gz QUYDFOTYIIKRCN-MRXNPFEDSA-N 0 3 374.441 -0.301 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000468741824 484693942 /nfs/dbraw/zinc/69/39/42/484693942.db2.gz CVYVAWBVMVGLOA-CVEARBPZSA-N 0 3 374.551 -0.505 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000468741826 484693957 /nfs/dbraw/zinc/69/39/57/484693957.db2.gz CVYVAWBVMVGLOA-HOTGVXAUSA-N 0 3 374.551 -0.505 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000468741827 484694064 /nfs/dbraw/zinc/69/40/64/484694064.db2.gz CVYVAWBVMVGLOA-HZPDHXFCSA-N 0 3 374.551 -0.505 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000468741828 484693742 /nfs/dbraw/zinc/69/37/42/484693742.db2.gz CVYVAWBVMVGLOA-JKSUJKDBSA-N 0 3 374.551 -0.505 20 0 FBADHN Nc1nsc(N2CCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)n1 ZINC000468753003 484555868 /nfs/dbraw/zinc/55/58/68/484555868.db2.gz ABMKJHYWLIPCEY-UHFFFAOYSA-N 0 3 365.507 -0.015 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000468791393 484694673 /nfs/dbraw/zinc/69/46/73/484694673.db2.gz CJKIOJKEYSTMEP-HNNXBMFYSA-N 0 3 361.446 -0.142 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000468794480 484695471 /nfs/dbraw/zinc/69/54/71/484695471.db2.gz CJKIOJKEYSTMEP-OAHLLOKOSA-N 0 3 361.446 -0.142 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2CCN(C)CC2)c1 ZINC000468826671 484694543 /nfs/dbraw/zinc/69/45/43/484694543.db2.gz DGJIESILEDJBEK-UHFFFAOYSA-N 0 3 368.459 -0.009 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CCN1CCCC1 ZINC000468832784 484695436 /nfs/dbraw/zinc/69/54/36/484695436.db2.gz FGBHTCZUVHZXFC-UHFFFAOYSA-N 0 3 362.496 -0.625 20 0 FBADHN CCN1CCC[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000468860162 484696648 /nfs/dbraw/zinc/69/66/48/484696648.db2.gz HDIUFPNNCKYAEQ-CYBMUJFWSA-N 0 3 362.496 -0.579 20 0 FBADHN CCN1CCC[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000468860391 484696043 /nfs/dbraw/zinc/69/60/43/484696043.db2.gz HDIUFPNNCKYAEQ-ZDUSSCGKSA-N 0 3 362.496 -0.579 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000468897890 484506701 /nfs/dbraw/zinc/50/67/01/484506701.db2.gz IRMSFNMGVYOSNZ-GFCCVEGCSA-N 0 3 362.496 -0.581 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000468898013 484506658 /nfs/dbraw/zinc/50/66/58/484506658.db2.gz IRMSFNMGVYOSNZ-LBPRGKRZSA-N 0 3 362.496 -0.581 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](O)Cc2cnn(C)c2)CC1 ZINC000468901380 484697327 /nfs/dbraw/zinc/69/73/27/484697327.db2.gz JMXVEFRCMYZMNI-HNNXBMFYSA-N 0 3 351.451 -0.664 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](O)Cc2cnn(C)c2)CC1 ZINC000468901449 484697806 /nfs/dbraw/zinc/69/78/06/484697806.db2.gz JMXVEFRCMYZMNI-OAHLLOKOSA-N 0 3 351.451 -0.664 20 0 FBADHN Cc1nnc(SCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[n-]1 ZINC000468904314 484697306 /nfs/dbraw/zinc/69/73/06/484697306.db2.gz ISPZPKCDLMJKID-UHFFFAOYSA-N 0 3 352.464 -0.028 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)c1 ZINC000468919072 484697502 /nfs/dbraw/zinc/69/75/02/484697502.db2.gz LSVRJACOISOCLS-KRWDZBQOSA-N 0 3 373.457 -0.069 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H](O)Cc2cnn(C)c2)c1 ZINC000468919352 484697367 /nfs/dbraw/zinc/69/73/67/484697367.db2.gz LSVRJACOISOCLS-QGZVFWFLSA-N 0 3 373.457 -0.069 20 0 FBADHN COCCN(CCN(C)C)C(=O)c1nnn(Cc2noc(C)n2)c1C ZINC000468935811 484698720 /nfs/dbraw/zinc/69/87/20/484698720.db2.gz JTKAHAWRYMXYQJ-UHFFFAOYSA-N 0 3 351.411 -0.024 20 0 FBADHN CCCN(CCN(C)C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468939456 484699312 /nfs/dbraw/zinc/69/93/12/484699312.db2.gz MPJPXMNEJBGIAX-UHFFFAOYSA-N 0 3 359.452 -0.808 20 0 FBADHN COC(=O)[C@H]1CCN(C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]1C ZINC000468943299 484698768 /nfs/dbraw/zinc/69/87/68/484698768.db2.gz JGURYGJPXKHBMY-CVEARBPZSA-N 0 3 370.494 -0.031 20 0 FBADHN COC(=O)[C@H]1CCN(C(=O)NCCCCN2CCN(CCO)CC2)[C@H]1C ZINC000468943516 484698710 /nfs/dbraw/zinc/69/87/10/484698710.db2.gz JGURYGJPXKHBMY-HOTGVXAUSA-N 0 3 370.494 -0.031 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]1C ZINC000468943661 484698861 /nfs/dbraw/zinc/69/88/61/484698861.db2.gz JGURYGJPXKHBMY-HZPDHXFCSA-N 0 3 370.494 -0.031 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)NCCCCN2CCN(CCO)CC2)[C@H]1C ZINC000468944109 484698609 /nfs/dbraw/zinc/69/86/09/484698609.db2.gz JGURYGJPXKHBMY-JKSUJKDBSA-N 0 3 370.494 -0.031 20 0 FBADHN CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)cc1 ZINC000468987494 484700655 /nfs/dbraw/zinc/70/06/55/484700655.db2.gz PLMXIPMLMUJJSG-KRWDZBQOSA-N 0 3 373.457 -0.069 20 0 FBADHN CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H](O)Cc2cnn(C)c2)cc1 ZINC000468987743 484700398 /nfs/dbraw/zinc/70/03/98/484700398.db2.gz PLMXIPMLMUJJSG-QGZVFWFLSA-N 0 3 373.457 -0.069 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000469004169 484700566 /nfs/dbraw/zinc/70/05/66/484700566.db2.gz QFXWYMFDAUDZJM-UHFFFAOYSA-N 0 3 371.463 -0.808 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 ZINC000469015348 484700556 /nfs/dbraw/zinc/70/05/56/484700556.db2.gz RPKKGBAWZUNWML-CYBMUJFWSA-N 0 3 373.479 -0.640 20 0 FBADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 ZINC000469015515 484700417 /nfs/dbraw/zinc/70/04/17/484700417.db2.gz RPKKGBAWZUNWML-ZDUSSCGKSA-N 0 3 373.479 -0.640 20 0 FBADHN CCN1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000469016858 484700507 /nfs/dbraw/zinc/70/05/07/484700507.db2.gz MWYLEHFXRLGFRW-UHFFFAOYSA-N 0 3 369.510 -0.360 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@@H](O)Cc1cnn(C)c1)C(=O)NCCN(C)C ZINC000469043750 484701715 /nfs/dbraw/zinc/70/17/15/484701715.db2.gz SWKYDOXQEAWPED-GJZGRUSLSA-N 0 3 353.467 -0.468 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@H](O)Cc1cnn(C)c1)C(=O)NCCN(C)C ZINC000469043908 484701770 /nfs/dbraw/zinc/70/17/70/484701770.db2.gz SWKYDOXQEAWPED-LSDHHAIUSA-N 0 3 353.467 -0.468 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](O)Cc2cnn(C)c2)CC1 ZINC000469043982 484701525 /nfs/dbraw/zinc/70/15/25/484701525.db2.gz QDKUFOPXIOQBMS-HNNXBMFYSA-N 0 3 352.435 -0.285 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)[C@H](O)Cc2cnn(C)c2)CC1 ZINC000469044224 484701571 /nfs/dbraw/zinc/70/15/71/484701571.db2.gz QDKUFOPXIOQBMS-OAHLLOKOSA-N 0 3 352.435 -0.285 20 0 FBADHN 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ZINC000469166167 484703941 /nfs/dbraw/zinc/70/39/41/484703941.db2.gz VBFMLZLLLKYNLY-LSDHHAIUSA-N 0 3 351.451 -0.618 20 0 FBADHN CC[C@H](C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C)[NH+](C)C ZINC000469180317 484704439 /nfs/dbraw/zinc/70/44/39/484704439.db2.gz GMCYMLQOHKLGJF-SECBINFHSA-N 0 3 350.466 -0.108 20 0 FBADHN CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C)[NH+](C)C ZINC000469180450 484704348 /nfs/dbraw/zinc/70/43/48/484704348.db2.gz GMCYMLQOHKLGJF-VIFPVBQESA-N 0 3 350.466 -0.108 20 0 FBADHN CCn1nc(NC(=O)C(=O)NCC2CCN(CCO)CC2)cc1C1CC1 ZINC000469191920 484474394 /nfs/dbraw/zinc/47/43/94/484474394.db2.gz ZWXPVJJUBYHDFV-UHFFFAOYSA-N 0 3 363.462 0.539 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC(C)(C)c2noc(CN(C)C)n2)CC1=O ZINC000469202629 484705646 /nfs/dbraw/zinc/70/56/46/484705646.db2.gz RJYAMUHAERVFIN-GFCCVEGCSA-N 0 3 366.466 -0.107 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC(C)(C)c2noc(CN(C)C)n2)CC1=O ZINC000469202704 484705509 /nfs/dbraw/zinc/70/55/09/484705509.db2.gz RJYAMUHAERVFIN-LBPRGKRZSA-N 0 3 366.466 -0.107 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000469215266 484705219 /nfs/dbraw/zinc/70/52/19/484705219.db2.gz MMXPUNOAQTXCIV-HNNXBMFYSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000469215645 484704822 /nfs/dbraw/zinc/70/48/22/484704822.db2.gz MMXPUNOAQTXCIV-OAHLLOKOSA-N 0 3 352.479 -0.280 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000469218113 484705403 /nfs/dbraw/zinc/70/54/03/484705403.db2.gz YZQPCTIVJMKKDY-UHFFFAOYSA-N 0 3 373.479 -0.562 20 0 FBADHN CC(=O)N[C@@H](CC(=O)NCc1ccccc1OCCN(C)C)C(N)=O ZINC000469221177 484705579 /nfs/dbraw/zinc/70/55/79/484705579.db2.gz WDWUURHSQDLJPV-AWEZNQCLSA-N 0 3 350.419 -0.377 20 0 FBADHN CCC[N@@H+](C)CC(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000469233212 484706666 /nfs/dbraw/zinc/70/66/66/484706666.db2.gz LNILDUCPDITZDK-UHFFFAOYSA-N 0 3 350.466 -0.107 20 0 FBADHN CCC[N@H+](C)CC(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000469233212 484706662 /nfs/dbraw/zinc/70/66/62/484706662.db2.gz LNILDUCPDITZDK-UHFFFAOYSA-N 0 3 350.466 -0.107 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 ZINC000469233601 484501489 /nfs/dbraw/zinc/50/14/89/484501489.db2.gz RPZLYMDUJBNOOX-UHFFFAOYSA-N 0 3 353.496 -0.157 20 0 FBADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cnn(CCOC)c2)CC1 ZINC000469250457 484706761 /nfs/dbraw/zinc/70/67/61/484706761.db2.gz IOKWOEHKYXGATI-AWEZNQCLSA-N 0 3 359.496 -0.166 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cnn(CCOC)c2)CC1 ZINC000469250570 484707049 /nfs/dbraw/zinc/70/70/49/484707049.db2.gz IOKWOEHKYXGATI-CQSZACIVSA-N 0 3 359.496 -0.166 20 0 FBADHN COC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CCOCC1 ZINC000469253457 484706868 /nfs/dbraw/zinc/70/68/68/484706868.db2.gz RAHBFHWDIDYRND-CABCVRRESA-N 0 3 369.462 -0.272 20 0 FBADHN COC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CCOCC1 ZINC000469253520 484706803 /nfs/dbraw/zinc/70/68/03/484706803.db2.gz RAHBFHWDIDYRND-GJZGRUSLSA-N 0 3 369.462 -0.272 20 0 FBADHN COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CCOCC1 ZINC000469253542 484706360 /nfs/dbraw/zinc/70/63/60/484706360.db2.gz RAHBFHWDIDYRND-HUUCEWRRSA-N 0 3 369.462 -0.272 20 0 FBADHN COC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CCOCC1 ZINC000469253577 484706915 /nfs/dbraw/zinc/70/69/15/484706915.db2.gz RAHBFHWDIDYRND-LSDHHAIUSA-N 0 3 369.462 -0.272 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000469266911 484706976 /nfs/dbraw/zinc/70/69/76/484706976.db2.gz ZYZLBEXGSXDHEP-HBUWYVDXSA-N 0 3 369.462 -0.251 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000469267113 484706405 /nfs/dbraw/zinc/70/64/05/484706405.db2.gz ZYZLBEXGSXDHEP-PMUMKWKESA-N 0 3 369.462 -0.251 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000469267121 484707147 /nfs/dbraw/zinc/70/71/47/484707147.db2.gz ZYZLBEXGSXDHEP-QWQRMKEZSA-N 0 3 369.462 -0.251 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000469267124 484706857 /nfs/dbraw/zinc/70/68/57/484706857.db2.gz ZYZLBEXGSXDHEP-SUNYJGFJSA-N 0 3 369.462 -0.251 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000469374572 484707926 /nfs/dbraw/zinc/70/79/26/484707926.db2.gz DDBPVDVSJMROPA-CHWSQXEVSA-N 0 3 364.450 -0.209 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000469374573 484708995 /nfs/dbraw/zinc/70/89/95/484708995.db2.gz DDBPVDVSJMROPA-OLZOCXBDSA-N 0 3 364.450 -0.209 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000469374574 484707980 /nfs/dbraw/zinc/70/79/80/484707980.db2.gz DDBPVDVSJMROPA-QWHCGFSZSA-N 0 3 364.450 -0.209 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000469374575 484708335 /nfs/dbraw/zinc/70/83/35/484708335.db2.gz DDBPVDVSJMROPA-STQMWFEESA-N 0 3 364.450 -0.209 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2nccnc2C(N)=O)c1 ZINC000469377519 484708935 /nfs/dbraw/zinc/70/89/35/484708935.db2.gz RVYYOZKGBAFWKF-UHFFFAOYSA-N 0 3 370.413 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484711350 /nfs/dbraw/zinc/71/13/50/484711350.db2.gz AQWIXZZQSXJXCJ-CYBMUJFWSA-N 0 3 374.507 -0.721 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000469467772 484711609 /nfs/dbraw/zinc/71/16/09/484711609.db2.gz AQWIXZZQSXJXCJ-ZDUSSCGKSA-N 0 3 374.507 -0.721 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C)CC[C@H]1C ZINC000469480806 484711524 /nfs/dbraw/zinc/71/15/24/484711524.db2.gz ZDTMMFCBCJRZQX-CYBMUJFWSA-N 0 3 362.496 -0.627 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C)CC[C@@H]1C ZINC000469480807 484711163 /nfs/dbraw/zinc/71/11/63/484711163.db2.gz ZDTMMFCBCJRZQX-ZDUSSCGKSA-N 0 3 362.496 -0.627 20 0 FBADHN CC[C@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)N(CC)CC ZINC000469487854 484711223 /nfs/dbraw/zinc/71/12/23/484711223.db2.gz LXDUXZAUSDGQLN-CYBMUJFWSA-N 0 3 366.466 -0.404 20 0 FBADHN CC[C@@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)N(CC)CC ZINC000469487855 484711742 /nfs/dbraw/zinc/71/17/42/484711742.db2.gz LXDUXZAUSDGQLN-ZDUSSCGKSA-N 0 3 366.466 -0.404 20 0 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Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCCN1CCC(O)CC1 ZINC000472163323 484775578 /nfs/dbraw/zinc/77/55/78/484775578.db2.gz YQGYJSSBOQGDMO-GOSISDBHSA-N 0 3 351.447 -0.129 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCCN1CCC(O)CC1 ZINC000472163324 484775493 /nfs/dbraw/zinc/77/54/93/484775493.db2.gz YQGYJSSBOQGDMO-SFHVURJKSA-N 0 3 351.447 -0.129 20 0 FBADHN CC(C)OCC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000472170639 484775638 /nfs/dbraw/zinc/77/56/38/484775638.db2.gz IOQLBAAIKMMOJO-KKUMJFAQSA-N 0 3 350.481 -0.750 20 0 FBADHN CC(C)OCC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000472170640 484775397 /nfs/dbraw/zinc/77/53/97/484775397.db2.gz IOQLBAAIKMMOJO-RRFJBIMHSA-N 0 3 350.481 -0.750 20 0 FBADHN CC(C)OCC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000472170641 484775591 /nfs/dbraw/zinc/77/55/91/484775591.db2.gz IOQLBAAIKMMOJO-SOUVJXGZSA-N 0 3 350.481 -0.750 20 0 FBADHN CC(C)OCC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000472170642 484775439 /nfs/dbraw/zinc/77/54/39/484775439.db2.gz IOQLBAAIKMMOJO-ZNMIVQPWSA-N 0 3 350.481 -0.750 20 0 FBADHN CC(=O)N1CC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000472216978 484775026 /nfs/dbraw/zinc/77/50/26/484775026.db2.gz MRKLVVKZNIOLFG-KRWDZBQOSA-N 0 3 360.458 -0.130 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCC1CCN(CCO)CC1 ZINC000472328413 484776667 /nfs/dbraw/zinc/77/66/67/484776667.db2.gz PDDCLKZGNPRZMK-GOSISDBHSA-N 0 3 351.447 -0.272 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCC1CCN(CCO)CC1 ZINC000472328419 484776076 /nfs/dbraw/zinc/77/60/76/484776076.db2.gz PDDCLKZGNPRZMK-SFHVURJKSA-N 0 3 351.447 -0.272 20 0 FBADHN CCC(CC)(CC(=O)OC)NCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000472421896 484777846 /nfs/dbraw/zinc/77/78/46/484777846.db2.gz VIBHXALVAQLFCD-UHFFFAOYSA-N 0 3 370.494 -0.070 20 0 FBADHN CN(C)CCOCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472475346 484778082 /nfs/dbraw/zinc/77/80/82/484778082.db2.gz KIZSKUHIMHCSDP-LSDHHAIUSA-N 0 3 353.423 -0.987 20 0 FBADHN CC(=O)N1CC[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000472497821 484779147 /nfs/dbraw/zinc/77/91/47/484779147.db2.gz JXQBITXCYACUMD-CABCVRRESA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)N1CC[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000472497833 484779372 /nfs/dbraw/zinc/77/93/72/484779372.db2.gz JXQBITXCYACUMD-GJZGRUSLSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)N1CC[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000472497834 484779292 /nfs/dbraw/zinc/77/92/92/484779292.db2.gz JXQBITXCYACUMD-HUUCEWRRSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)N1CC[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000472497835 484779232 /nfs/dbraw/zinc/77/92/32/484779232.db2.gz JXQBITXCYACUMD-LSDHHAIUSA-N 0 3 353.467 -0.151 20 0 FBADHN CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)ccc2[nH]1 ZINC000472557123 484780493 /nfs/dbraw/zinc/78/04/93/484780493.db2.gz ARADCFYORQEVTI-GFCCVEGCSA-N 0 3 361.402 -0.495 20 0 FBADHN CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)ccc2[nH]1 ZINC000472557128 484780188 /nfs/dbraw/zinc/78/01/88/484780188.db2.gz ARADCFYORQEVTI-LBPRGKRZSA-N 0 3 361.402 -0.495 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc(-n2cccn2)c1 ZINC000472567817 484781734 /nfs/dbraw/zinc/78/17/34/484781734.db2.gz WGCAKJAXJMPZDM-AWEZNQCLSA-N 0 3 361.402 -0.142 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc(-n2cccn2)c1 ZINC000472567820 484782001 /nfs/dbraw/zinc/78/20/01/484782001.db2.gz WGCAKJAXJMPZDM-CQSZACIVSA-N 0 3 361.402 -0.142 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CC(C)(CO)CO ZINC000472680871 484783108 /nfs/dbraw/zinc/78/31/08/484783108.db2.gz ZTNZFDOCUZBXIO-UHFFFAOYSA-N 0 3 362.496 -0.327 20 0 FBADHN O=C(CNC1(CO)CCOCC1)Nc1cc(-n2cnnn2)ccc1F ZINC000472720693 484784048 /nfs/dbraw/zinc/78/40/48/484784048.db2.gz BRXCILQHNPWVPQ-UHFFFAOYSA-N 0 3 350.354 -0.129 20 0 FBADHN CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@]3(O)CCN(C)C3)ccc2[nH]1 ZINC000472729487 484784603 /nfs/dbraw/zinc/78/46/03/484784603.db2.gz XPHWLTXTLSXENW-GOSISDBHSA-N 0 3 373.413 -0.351 20 0 FBADHN CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@@]3(O)CCN(C)C3)ccc2[nH]1 ZINC000472729491 484784457 /nfs/dbraw/zinc/78/44/57/484784457.db2.gz XPHWLTXTLSXENW-SFHVURJKSA-N 0 3 373.413 -0.351 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472733831 484784616 /nfs/dbraw/zinc/78/46/16/484784616.db2.gz ILFODSJWFDEFNS-AWEZNQCLSA-N 0 3 364.512 -0.916 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472733843 484784404 /nfs/dbraw/zinc/78/44/04/484784404.db2.gz ILFODSJWFDEFNS-CQSZACIVSA-N 0 3 364.512 -0.916 20 0 FBADHN CC[C@H](NC(=O)N[C@H](C)CCN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000472744834 484783921 /nfs/dbraw/zinc/78/39/21/484783921.db2.gz CPVDSQCHVORSFD-CVEARBPZSA-N 0 3 369.510 -0.051 20 0 FBADHN CC[C@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000472744835 484784119 /nfs/dbraw/zinc/78/41/19/484784119.db2.gz CPVDSQCHVORSFD-HOTGVXAUSA-N 0 3 369.510 -0.051 20 0 FBADHN CC[C@@H](NC(=O)N[C@H](C)CCN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000472744836 484784642 /nfs/dbraw/zinc/78/46/42/484784642.db2.gz CPVDSQCHVORSFD-HZPDHXFCSA-N 0 3 369.510 -0.051 20 0 FBADHN CC[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000472744837 484784329 /nfs/dbraw/zinc/78/43/29/484784329.db2.gz CPVDSQCHVORSFD-JKSUJKDBSA-N 0 3 369.510 -0.051 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000472765028 484783961 /nfs/dbraw/zinc/78/39/61/484783961.db2.gz CQHPINUUCMVEGO-BZUAXINKSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000472765033 484784700 /nfs/dbraw/zinc/78/47/00/484784700.db2.gz CQHPINUUCMVEGO-OAGGEKHMSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000472765035 484783942 /nfs/dbraw/zinc/78/39/42/484783942.db2.gz CQHPINUUCMVEGO-OWCLPIDISA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000472765038 484784563 /nfs/dbraw/zinc/78/45/63/484784563.db2.gz CQHPINUUCMVEGO-PMPSAXMXSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472788652 484786044 /nfs/dbraw/zinc/78/60/44/484786044.db2.gz OTFRZRNQWDGJDD-DLBZAZTESA-N 0 3 354.543 -0.053 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000472788660 484785580 /nfs/dbraw/zinc/78/55/80/484785580.db2.gz OTFRZRNQWDGJDD-IAGOWNOFSA-N 0 3 354.543 -0.053 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000472788662 484786349 /nfs/dbraw/zinc/78/63/49/484786349.db2.gz OTFRZRNQWDGJDD-IRXDYDNUSA-N 0 3 354.543 -0.053 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000472788665 484785852 /nfs/dbraw/zinc/78/58/52/484785852.db2.gz OTFRZRNQWDGJDD-SJORKVTESA-N 0 3 354.543 -0.053 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCC2(C)CC2)cn1 ZINC000472791482 484786070 /nfs/dbraw/zinc/78/60/70/484786070.db2.gz RUWNKLOBRHQAHZ-UHFFFAOYSA-N 0 3 364.450 -0.194 20 0 FBADHN C[C@H](CNC(=O)NCc1nnnn1CC1CC1)CN1CCN(C)CC1 ZINC000472796848 484785903 /nfs/dbraw/zinc/78/59/03/484785903.db2.gz WGMDDQDGCHHVRE-CYBMUJFWSA-N 0 3 350.471 -0.234 20 0 FBADHN C[C@@H](CNC(=O)NCc1nnnn1CC1CC1)CN1CCN(C)CC1 ZINC000472796852 484785255 /nfs/dbraw/zinc/78/52/55/484785255.db2.gz WGMDDQDGCHHVRE-ZDUSSCGKSA-N 0 3 350.471 -0.234 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1nnnn1CC1CC1 ZINC000472822953 484785340 /nfs/dbraw/zinc/78/53/40/484785340.db2.gz CFLOUOPFFPSMJU-CYBMUJFWSA-N 0 3 350.471 -0.092 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1nnnn1CC1CC1 ZINC000472822959 484785534 /nfs/dbraw/zinc/78/55/34/484785534.db2.gz CFLOUOPFFPSMJU-ZDUSSCGKSA-N 0 3 350.471 -0.092 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCOCC1 ZINC000472886890 484787790 /nfs/dbraw/zinc/78/77/90/484787790.db2.gz LSCFNHOVBXGRGK-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCOCC1 ZINC000472886891 484787107 /nfs/dbraw/zinc/78/71/07/484787107.db2.gz LSCFNHOVBXGRGK-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN COCCN1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1=O ZINC000472898993 484788004 /nfs/dbraw/zinc/78/80/04/484788004.db2.gz ADYFLEPMNYUUPX-HNNXBMFYSA-N 0 3 355.483 -0.487 20 0 FBADHN COCCN1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1=O ZINC000472898994 484787017 /nfs/dbraw/zinc/78/70/17/484787017.db2.gz ADYFLEPMNYUUPX-OAHLLOKOSA-N 0 3 355.483 -0.487 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCN1CCCS1(=O)=O ZINC000472901345 484787960 /nfs/dbraw/zinc/78/79/60/484787960.db2.gz RGTZJXBYWMIAHN-AWEZNQCLSA-N 0 3 361.512 -0.653 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCN1CCCS1(=O)=O ZINC000472901346 484787592 /nfs/dbraw/zinc/78/75/92/484787592.db2.gz RGTZJXBYWMIAHN-CQSZACIVSA-N 0 3 361.512 -0.653 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCNC(=O)c1cnccn1 ZINC000472910893 484786867 /nfs/dbraw/zinc/78/68/67/484786867.db2.gz ZIDKAOXADRJMPL-AWEZNQCLSA-N 0 3 363.466 -0.468 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCNC(=O)c1cnccn1 ZINC000472910894 484787233 /nfs/dbraw/zinc/78/72/33/484787233.db2.gz ZIDKAOXADRJMPL-CQSZACIVSA-N 0 3 363.466 -0.468 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472913569 484787746 /nfs/dbraw/zinc/78/77/46/484787746.db2.gz YDWUUBAQEIWNIH-AWEZNQCLSA-N 0 3 363.528 -0.359 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472913570 484787401 /nfs/dbraw/zinc/78/74/01/484787401.db2.gz YDWUUBAQEIWNIH-CQSZACIVSA-N 0 3 363.528 -0.359 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000472914262 484787982 /nfs/dbraw/zinc/78/79/82/484787982.db2.gz MFZRHKCAAUYKIO-CVEARBPZSA-N 0 3 368.526 -0.349 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000472914263 484787286 /nfs/dbraw/zinc/78/72/86/484787286.db2.gz MFZRHKCAAUYKIO-HOTGVXAUSA-N 0 3 368.526 -0.349 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000472914264 484786844 /nfs/dbraw/zinc/78/68/44/484786844.db2.gz MFZRHKCAAUYKIO-HZPDHXFCSA-N 0 3 368.526 -0.349 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000472914265 484787947 /nfs/dbraw/zinc/78/79/47/484787947.db2.gz MFZRHKCAAUYKIO-JKSUJKDBSA-N 0 3 368.526 -0.349 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472921132 484787993 /nfs/dbraw/zinc/78/79/93/484787993.db2.gz LETVQPRLYNVQGK-AWEZNQCLSA-N 0 3 363.528 -0.361 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472921139 484787658 /nfs/dbraw/zinc/78/76/58/484787658.db2.gz LETVQPRLYNVQGK-CQSZACIVSA-N 0 3 363.528 -0.361 20 0 FBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)CCO2 ZINC000472924095 484173712 /nfs/dbraw/zinc/17/37/12/484173712.db2.gz KJSJFDYZPXFPBF-CXAGYDPISA-N 0 3 365.434 -0.210 20 0 FBADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)CCO2 ZINC000472924097 484174111 /nfs/dbraw/zinc/17/41/11/484174111.db2.gz KJSJFDYZPXFPBF-DYVFJYSZSA-N 0 3 365.434 -0.210 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)CCO2 ZINC000472924098 484097510 /nfs/dbraw/zinc/09/75/10/484097510.db2.gz KJSJFDYZPXFPBF-GUYCJALGSA-N 0 3 365.434 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/nfs/dbraw/zinc/86/50/13/484865013.db2.gz BIWCRDWJZYBKER-UHFFFAOYSA-N 0 3 370.475 -0.163 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC1CCN(C)CC1 ZINC000476412154 484867534 /nfs/dbraw/zinc/86/75/34/484867534.db2.gz ZAHBTLHPTOJZES-LLVKDONJSA-N 0 3 368.459 -0.337 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC1CCN(C)CC1 ZINC000476412155 484867074 /nfs/dbraw/zinc/86/70/74/484867074.db2.gz ZAHBTLHPTOJZES-NSHDSACASA-N 0 3 368.459 -0.337 20 0 FBADHN O=C(CCCN1C(=O)CNC1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000476412903 484867769 /nfs/dbraw/zinc/86/77/69/484867769.db2.gz HLLNLYIULDMBLB-MRXNPFEDSA-N 0 3 374.441 -0.146 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NC1CC1 ZINC000476438296 484869418 /nfs/dbraw/zinc/86/94/18/484869418.db2.gz UKLJFCRPVKJMTL-HNNXBMFYSA-N 0 3 354.476 -0.138 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000476457243 484869456 /nfs/dbraw/zinc/86/94/56/484869456.db2.gz HNEVFKYFSZQVQQ-INIZCTEOSA-N 0 3 357.476 -0.092 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000476457245 484869234 /nfs/dbraw/zinc/86/92/34/484869234.db2.gz HNEVFKYFSZQVQQ-MRXNPFEDSA-N 0 3 357.476 -0.092 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000476458338 484869008 /nfs/dbraw/zinc/86/90/08/484869008.db2.gz LSRDWROSACOWCP-CABCVRRESA-N 0 3 362.540 -0.050 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000476458345 484869283 /nfs/dbraw/zinc/86/92/83/484869283.db2.gz LSRDWROSACOWCP-GJZGRUSLSA-N 0 3 362.540 -0.050 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000476458347 484869383 /nfs/dbraw/zinc/86/93/83/484869383.db2.gz LSRDWROSACOWCP-HUUCEWRRSA-N 0 3 362.540 -0.050 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000476458349 484869068 /nfs/dbraw/zinc/86/90/68/484869068.db2.gz LSRDWROSACOWCP-LSDHHAIUSA-N 0 3 362.540 -0.050 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000476459728 484868958 /nfs/dbraw/zinc/86/89/58/484868958.db2.gz NSXPTDLJURVECB-AWEZNQCLSA-N 0 3 362.496 -0.180 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000476459729 484868851 /nfs/dbraw/zinc/86/88/51/484868851.db2.gz NSXPTDLJURVECB-CQSZACIVSA-N 0 3 362.496 -0.180 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000476468093 484870015 /nfs/dbraw/zinc/87/00/15/484870015.db2.gz JDNAVZMASDCUMK-CYBMUJFWSA-N 0 3 363.418 -0.165 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000476468094 484870467 /nfs/dbraw/zinc/87/04/67/484870467.db2.gz JDNAVZMASDCUMK-ZDUSSCGKSA-N 0 3 363.418 -0.165 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1CCCN1C ZINC000476535398 484873083 /nfs/dbraw/zinc/87/30/83/484873083.db2.gz NVRYSNJMZBPRAD-AAEUAGOBSA-N 0 3 368.459 -0.337 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1CCCN1C ZINC000476535399 484872663 /nfs/dbraw/zinc/87/26/63/484872663.db2.gz NVRYSNJMZBPRAD-DGCLKSJQSA-N 0 3 368.459 -0.337 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1CCCN1C ZINC000476535401 484872179 /nfs/dbraw/zinc/87/21/79/484872179.db2.gz NVRYSNJMZBPRAD-WCQYABFASA-N 0 3 368.459 -0.337 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1CCCN1C ZINC000476535402 484872363 /nfs/dbraw/zinc/87/23/63/484872363.db2.gz NVRYSNJMZBPRAD-YPMHNXCESA-N 0 3 368.459 -0.337 20 0 FBADHN COCCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000476587970 484875164 /nfs/dbraw/zinc/87/51/64/484875164.db2.gz LJOZRFCAUJNCQE-AWEZNQCLSA-N 0 3 354.451 -0.896 20 0 FBADHN COCCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000476587971 484874864 /nfs/dbraw/zinc/87/48/64/484874864.db2.gz LJOZRFCAUJNCQE-CQSZACIVSA-N 0 3 354.451 -0.896 20 0 FBADHN CN(C)CCOCCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476592819 484874803 /nfs/dbraw/zinc/87/48/03/484874803.db2.gz DSLDWEUTYGJDLF-INIZCTEOSA-N 0 3 370.450 -0.704 20 0 FBADHN CN(C)CCOCCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000476592825 484875732 /nfs/dbraw/zinc/87/57/32/484875732.db2.gz DSLDWEUTYGJDLF-MRXNPFEDSA-N 0 3 370.450 -0.704 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCC(=O)N2CCCCC2)n1 ZINC000476614298 484098955 /nfs/dbraw/zinc/09/89/55/484098955.db2.gz UWDPGYRJQAXWLA-UHFFFAOYSA-N 0 3 364.450 -0.098 20 0 FBADHN NS(=O)(=O)c1ccc(CNC(=O)NCC2CCN(CCO)CC2)cc1 ZINC000476651216 484876711 /nfs/dbraw/zinc/87/67/11/484876711.db2.gz GSHYIUOVLQRPIZ-UHFFFAOYSA-N 0 3 370.475 -0.163 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCN(C)C ZINC000476675495 484876836 /nfs/dbraw/zinc/87/68/36/484876836.db2.gz KTVGHPUHXXQBJF-LLVKDONJSA-N 0 3 356.448 -0.528 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCN(C)C ZINC000476675522 484876135 /nfs/dbraw/zinc/87/61/35/484876135.db2.gz KTVGHPUHXXQBJF-NSHDSACASA-N 0 3 356.448 -0.528 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCNC(C)(C)C1 ZINC000476684590 484877909 /nfs/dbraw/zinc/87/79/09/484877909.db2.gz FBZMWFWSQOEEAW-LLVKDONJSA-N 0 3 368.459 -0.337 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCNC(C)(C)C1 ZINC000476684591 484877765 /nfs/dbraw/zinc/87/77/65/484877765.db2.gz FBZMWFWSQOEEAW-NSHDSACASA-N 0 3 368.459 -0.337 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCN1CCCC1 ZINC000476689561 484877629 /nfs/dbraw/zinc/87/76/29/484877629.db2.gz MIODGOBOTDAPFO-GFCCVEGCSA-N 0 3 368.459 -0.336 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCN1CCCC1 ZINC000476689566 484877697 /nfs/dbraw/zinc/87/76/97/484877697.db2.gz MIODGOBOTDAPFO-LBPRGKRZSA-N 0 3 368.459 -0.336 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000476694124 484877973 /nfs/dbraw/zinc/87/79/73/484877973.db2.gz QOIUDVTVYCOTII-INIZCTEOSA-N 0 3 355.460 -0.338 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000476694131 484877899 /nfs/dbraw/zinc/87/78/99/484877899.db2.gz QOIUDVTVYCOTII-MRXNPFEDSA-N 0 3 355.460 -0.338 20 0 FBADHN CCN(C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476716570 484878580 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20 0 FBADHN COC(=O)Cc1ccccc1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000476724280 484878685 /nfs/dbraw/zinc/87/86/85/484878685.db2.gz YEAKNHDPCCMZQW-UHFFFAOYSA-N 0 3 363.414 -0.087 20 0 FBADHN CN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000476736840 484880233 /nfs/dbraw/zinc/88/02/33/484880233.db2.gz DECVRTNLBMZIMW-KBPBESRZSA-N 0 3 362.496 -0.132 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000476736843 484879686 /nfs/dbraw/zinc/87/96/86/484879686.db2.gz DECVRTNLBMZIMW-KGLIPLIRSA-N 0 3 362.496 -0.132 20 0 FBADHN CN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000476736846 484879743 /nfs/dbraw/zinc/87/97/43/484879743.db2.gz DECVRTNLBMZIMW-UONOGXRCSA-N 0 3 362.496 -0.132 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000476736848 484880284 /nfs/dbraw/zinc/88/02/84/484880284.db2.gz DECVRTNLBMZIMW-ZIAGYGMSSA-N 0 3 362.496 -0.132 20 0 FBADHN CCN(CCO)CCNC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000476747525 484879540 /nfs/dbraw/zinc/87/95/40/484879540.db2.gz 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O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCCO2)CC1 ZINC000477100369 484890649 /nfs/dbraw/zinc/89/06/49/484890649.db2.gz NUBZHKDFLVSMQZ-HNNXBMFYSA-N 0 3 366.462 -0.562 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCCCO2)CC1 ZINC000477100371 484890517 /nfs/dbraw/zinc/89/05/17/484890517.db2.gz NUBZHKDFLVSMQZ-OAHLLOKOSA-N 0 3 366.462 -0.562 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000477101298 484282743 /nfs/dbraw/zinc/28/27/43/484282743.db2.gz QGFCWQIADDOTFR-CHWSQXEVSA-N 0 3 366.466 -0.298 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000477101303 484283442 /nfs/dbraw/zinc/28/34/42/484283442.db2.gz QGFCWQIADDOTFR-OLZOCXBDSA-N 0 3 366.466 -0.298 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000477101305 484283190 /nfs/dbraw/zinc/28/31/90/484283190.db2.gz QGFCWQIADDOTFR-QWHCGFSZSA-N 0 3 366.466 -0.298 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000477101306 484282560 /nfs/dbraw/zinc/28/25/60/484282560.db2.gz QGFCWQIADDOTFR-STQMWFEESA-N 0 3 366.466 -0.298 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCCO2)CC1 ZINC000477103211 484890690 /nfs/dbraw/zinc/89/06/90/484890690.db2.gz UZFVNDBGMNLQRK-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCCO2)CC1 ZINC000477103212 484890404 /nfs/dbraw/zinc/89/04/04/484890404.db2.gz UZFVNDBGMNLQRK-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000477103474 484283258 /nfs/dbraw/zinc/28/32/58/484283258.db2.gz WGJDUBMFMQIPJE-HNNXBMFYSA-N 0 3 369.510 -0.545 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000477103475 484283678 /nfs/dbraw/zinc/28/36/78/484283678.db2.gz WGJDUBMFMQIPJE-OAHLLOKOSA-N 0 3 369.510 -0.545 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCCO2)CC1 ZINC000477105230 484284143 /nfs/dbraw/zinc/28/41/43/484284143.db2.gz CHLZGYWNHUFHRA-HNNXBMFYSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCCO2)CC1 ZINC000477105231 484284608 /nfs/dbraw/zinc/28/46/08/484284608.db2.gz CHLZGYWNHUFHRA-OAHLLOKOSA-N 0 3 368.478 -0.269 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)CC1 ZINC000477105519 484285287 /nfs/dbraw/zinc/28/52/87/484285287.db2.gz FHLPIPAGJPERSX-AWEZNQCLSA-N 0 3 355.483 -0.887 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CN(CC)CC)CC1 ZINC000477105521 484284923 /nfs/dbraw/zinc/28/49/23/484284923.db2.gz FHLPIPAGJPERSX-CQSZACIVSA-N 0 3 355.483 -0.887 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000477105842 484284577 /nfs/dbraw/zinc/28/45/77/484284577.db2.gz HQIGYQCMYYDFDG-CHWSQXEVSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000477105843 484285197 /nfs/dbraw/zinc/28/51/97/484285197.db2.gz HQIGYQCMYYDFDG-OLZOCXBDSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000477105844 484284156 /nfs/dbraw/zinc/28/41/56/484284156.db2.gz HQIGYQCMYYDFDG-QWHCGFSZSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000477105845 484284245 /nfs/dbraw/zinc/28/42/45/484284245.db2.gz HQIGYQCMYYDFDG-STQMWFEESA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000477105868 484284820 /nfs/dbraw/zinc/28/48/20/484284820.db2.gz HVYWHWYMSPYRQB-AWEZNQCLSA-N 0 3 350.467 -0.085 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000477105870 484284535 /nfs/dbraw/zinc/28/45/35/484284535.db2.gz HVYWHWYMSPYRQB-CQSZACIVSA-N 0 3 350.467 -0.085 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCCCO1 ZINC000477106458 484890903 /nfs/dbraw/zinc/89/09/03/484890903.db2.gz KUEXKPBXIYDGDY-CABCVRRESA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000477106461 484890333 /nfs/dbraw/zinc/89/03/33/484890333.db2.gz KUEXKPBXIYDGDY-GJZGRUSLSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCCCO1 ZINC000477106465 484890374 /nfs/dbraw/zinc/89/03/74/484890374.db2.gz KUEXKPBXIYDGDY-HUUCEWRRSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000477106468 484890435 /nfs/dbraw/zinc/89/04/35/484890435.db2.gz KUEXKPBXIYDGDY-LSDHHAIUSA-N 0 3 368.478 -0.269 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000477109976 484288164 /nfs/dbraw/zinc/28/81/64/484288164.db2.gz VTUXYZWCKFVFQG-AWEZNQCLSA-N 0 3 350.467 -0.100 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000477109977 484288348 /nfs/dbraw/zinc/28/83/48/484288348.db2.gz VTUXYZWCKFVFQG-CQSZACIVSA-N 0 3 350.467 -0.100 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC000477111217 484288269 /nfs/dbraw/zinc/28/82/69/484288269.db2.gz XPOXXVMGPKCKOH-AWEZNQCLSA-N 0 3 370.494 -0.023 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC000477111218 484288417 /nfs/dbraw/zinc/28/84/17/484288417.db2.gz XPOXXVMGPKCKOH-CQSZACIVSA-N 0 3 370.494 -0.023 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)NC[C@H]1CCCN1CCOC ZINC000477111522 484890271 /nfs/dbraw/zinc/89/02/71/484890271.db2.gz TUJTVAFNCCWHDP-CYBMUJFWSA-N 0 3 350.485 -0.274 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)NC[C@@H]1CCCN1CCOC ZINC000477111524 484890475 /nfs/dbraw/zinc/89/04/75/484890475.db2.gz TUJTVAFNCCWHDP-ZDUSSCGKSA-N 0 3 350.485 -0.274 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000477111968 484286303 /nfs/dbraw/zinc/28/63/03/484286303.db2.gz ZHQNGKMIAPZJPC-CYBMUJFWSA-N 0 3 362.496 -0.673 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000477111970 484286234 /nfs/dbraw/zinc/28/62/34/484286234.db2.gz ZHQNGKMIAPZJPC-ZDUSSCGKSA-N 0 3 362.496 -0.673 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)NCC2CCN(CCO)CC2)CC1 ZINC000477132410 484890706 /nfs/dbraw/zinc/89/07/06/484890706.db2.gz ABPRBLLXZRERLY-UHFFFAOYSA-N 0 3 369.510 -0.458 20 0 FBADHN COCCOCCS(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000477133490 484891714 /nfs/dbraw/zinc/89/17/14/484891714.db2.gz FYDMGHKLTXDGTR-UHFFFAOYSA-N 0 3 351.513 -0.063 20 0 FBADHN O=C(Cn1cc(NC(=O)NCC2CCN(CCO)CC2)cn1)NC1CC1 ZINC000477134260 484892498 /nfs/dbraw/zinc/89/24/98/484892498.db2.gz FWLLIVDTCHEKGR-UHFFFAOYSA-N 0 3 364.450 -0.013 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](CO)OC[C@H]1C ZINC000477136717 484891806 /nfs/dbraw/zinc/89/18/06/484891806.db2.gz LRFBDBQXTIBKJN-BXUZGUMPSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000477136719 484891989 /nfs/dbraw/zinc/89/19/89/484891989.db2.gz LRFBDBQXTIBKJN-FZMZJTMJSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000477136722 484891931 /nfs/dbraw/zinc/89/19/31/484891931.db2.gz LRFBDBQXTIBKJN-RISCZKNCSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000477136726 484892345 /nfs/dbraw/zinc/89/23/45/484892345.db2.gz LRFBDBQXTIBKJN-SMDDNHRTSA-N 0 3 360.480 -0.168 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NCCNC(=O)c1cnccn1 ZINC000477136937 484892411 /nfs/dbraw/zinc/89/24/11/484892411.db2.gz UFEFYMCBEDGTAU-CYBMUJFWSA-N 0 3 350.423 -0.384 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NCCNC(=O)c1cnccn1 ZINC000477136938 484892316 /nfs/dbraw/zinc/89/23/16/484892316.db2.gz UFEFYMCBEDGTAU-ZDUSSCGKSA-N 0 3 350.423 -0.384 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000477139279 484892305 /nfs/dbraw/zinc/89/23/05/484892305.db2.gz YNQWKUOEXKXEDI-INIZCTEOSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000477139280 484891790 /nfs/dbraw/zinc/89/17/90/484891790.db2.gz YNQWKUOEXKXEDI-MRXNPFEDSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000477141921 484892336 /nfs/dbraw/zinc/89/23/36/484892336.db2.gz VXPQCMJTSYHQJV-INIZCTEOSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000477141922 484892454 /nfs/dbraw/zinc/89/24/54/484892454.db2.gz VXPQCMJTSYHQJV-MRXNPFEDSA-N 0 3 369.510 -0.051 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C)CC[NH3+])s1 ZINC000477160863 484892158 /nfs/dbraw/zinc/89/21/58/484892158.db2.gz IHYSFSWDNFBKOI-SECBINFHSA-N 0 3 362.477 -0.484 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)CC[NH3+])s1 ZINC000477160864 484892137 /nfs/dbraw/zinc/89/21/37/484892137.db2.gz IHYSFSWDNFBKOI-VIFPVBQESA-N 0 3 362.477 -0.484 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000477184394 484893406 /nfs/dbraw/zinc/89/34/06/484893406.db2.gz DNIYTPCMRYQZTM-INIZCTEOSA-N 0 3 367.494 -0.297 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000477184395 484893496 /nfs/dbraw/zinc/89/34/96/484893496.db2.gz DNIYTPCMRYQZTM-MRXNPFEDSA-N 0 3 367.494 -0.297 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(CCN(C)C)CC1 ZINC000477208533 484893607 /nfs/dbraw/zinc/89/36/07/484893607.db2.gz QCTCAFHJSPECIZ-UHFFFAOYSA-N 0 3 364.512 -0.963 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)NCCCN1CCN(C)CC1 ZINC000477220058 484893842 /nfs/dbraw/zinc/89/38/42/484893842.db2.gz WHYNWAVSDQXTCZ-UHFFFAOYSA-N 0 3 364.512 -0.916 20 0 FBADHN C[C@@H]1CCN(S(=O)(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000477268503 484895030 /nfs/dbraw/zinc/89/50/30/484895030.db2.gz YDRQUYQXBWKYNS-GFCCVEGCSA-N 0 3 358.468 -0.441 20 0 FBADHN C[C@H]1CCN(S(=O)(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000477268504 484894815 /nfs/dbraw/zinc/89/48/15/484894815.db2.gz YDRQUYQXBWKYNS-LBPRGKRZSA-N 0 3 358.468 -0.441 20 0 FBADHN Cc1ccc(-n2nccc2NC(=O)C(=O)NCCNc2ccncc2)nn1 ZINC000477309208 484894380 /nfs/dbraw/zinc/89/43/80/484894380.db2.gz ORPWXEHSBDUUNE-UHFFFAOYSA-N 0 3 366.385 -0.046 20 0 FBADHN CCn1cc(CN(CCO)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cn1 ZINC000477422127 484898015 /nfs/dbraw/zinc/89/80/15/484898015.db2.gz IRSWJGJVNHWETH-HNNXBMFYSA-N 0 3 351.451 -0.366 20 0 FBADHN CCn1cc(CN(CCO)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cn1 ZINC000477422141 484898064 /nfs/dbraw/zinc/89/80/64/484898064.db2.gz IRSWJGJVNHWETH-OAHLLOKOSA-N 0 3 351.451 -0.366 20 0 FBADHN COCCN1CCC(NC(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000477426380 484897619 /nfs/dbraw/zinc/89/76/19/484897619.db2.gz GZYRNINWPGKAOM-UHFFFAOYSA-N 0 3 365.496 -0.442 20 0 FBADHN CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000477427359 484209295 /nfs/dbraw/zinc/20/92/95/484209295.db2.gz MXABBNSFQUELNM-UHFFFAOYSA-N 0 3 361.468 -0.272 20 0 FBADHN CCn1nccc1CN(CCO)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000477443475 484897939 /nfs/dbraw/zinc/89/79/39/484897939.db2.gz MLHRAPAFZQMOQS-AWEZNQCLSA-N 0 3 351.451 -0.366 20 0 FBADHN CCn1nccc1CN(CCO)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000477443477 484897732 /nfs/dbraw/zinc/89/77/32/484897732.db2.gz MLHRAPAFZQMOQS-CQSZACIVSA-N 0 3 351.451 -0.366 20 0 FBADHN COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)nn1 ZINC000477461811 484899481 /nfs/dbraw/zinc/89/94/81/484899481.db2.gz PNJUHIIEZBQYDV-UHFFFAOYSA-N 0 3 367.431 -0.009 20 0 FBADHN COCCN(C)CCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477464591 484899332 /nfs/dbraw/zinc/89/93/32/484899332.db2.gz FNPLQRSKGLZRBE-UHFFFAOYSA-N 0 3 361.512 -0.082 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000477466904 484899847 /nfs/dbraw/zinc/89/98/47/484899847.db2.gz HSDOUHPOTKIPNX-GFCCVEGCSA-N 0 3 358.468 -0.507 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](NC(N)=O)C1 ZINC000477466910 484899695 /nfs/dbraw/zinc/89/96/95/484899695.db2.gz HSDOUHPOTKIPNX-LBPRGKRZSA-N 0 3 358.468 -0.507 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000477470091 484899182 /nfs/dbraw/zinc/89/91/82/484899182.db2.gz RLUIANFSGCSNHL-CHWSQXEVSA-N 0 3 373.479 -0.627 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000477470092 484899672 /nfs/dbraw/zinc/89/96/72/484899672.db2.gz RLUIANFSGCSNHL-OLZOCXBDSA-N 0 3 373.479 -0.627 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000477470093 484899466 /nfs/dbraw/zinc/89/94/66/484899466.db2.gz RLUIANFSGCSNHL-QWHCGFSZSA-N 0 3 373.479 -0.627 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000477470094 484899351 /nfs/dbraw/zinc/89/93/51/484899351.db2.gz RLUIANFSGCSNHL-STQMWFEESA-N 0 3 373.479 -0.627 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1(O)CCOCC1 ZINC000477472484 484898986 /nfs/dbraw/zinc/89/89/86/484898986.db2.gz ANOGKQHDAOSSEQ-UHFFFAOYSA-N 0 3 360.480 -0.119 20 0 FBADHN CNC(=O)[C@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCO1 ZINC000477477619 484900258 /nfs/dbraw/zinc/90/02/58/484900258.db2.gz QAFDYICYTGGGTD-CYBMUJFWSA-N 0 3 373.479 -0.803 20 0 FBADHN CNC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCO1 ZINC000477477625 484900463 /nfs/dbraw/zinc/90/04/63/484900463.db2.gz QAFDYICYTGGGTD-ZDUSSCGKSA-N 0 3 373.479 -0.803 20 0 FBADHN COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000477478026 484900982 /nfs/dbraw/zinc/90/09/82/484900982.db2.gz IUWJJTBTRTWQLM-CYBMUJFWSA-N 0 3 351.469 -0.832 20 0 FBADHN COCCN1CC[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000477478027 484900627 /nfs/dbraw/zinc/90/06/27/484900627.db2.gz 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ZINC000477508518 484900287 /nfs/dbraw/zinc/90/02/87/484900287.db2.gz OSDZJLQZRNHKTE-UHFFFAOYSA-N 0 3 365.463 -0.299 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)c2cnnn2C)c1 ZINC000477547033 484902754 /nfs/dbraw/zinc/90/27/54/484902754.db2.gz YJOWJYGRIWJMBM-UHFFFAOYSA-N 0 3 366.447 -0.415 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCn2cnnc2C1 ZINC000477574704 484903809 /nfs/dbraw/zinc/90/38/09/484903809.db2.gz AWRXEDXPHDCDRZ-UHFFFAOYSA-N 0 3 353.452 -0.142 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](O)[C@H]1CCOC1 ZINC000477575956 484903477 /nfs/dbraw/zinc/90/34/77/484903477.db2.gz NLJJVUNTWRKGRM-KBPBESRZSA-N 0 3 360.480 -0.263 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](O)[C@@H]1CCOC1 ZINC000477575957 484903212 /nfs/dbraw/zinc/90/32/12/484903212.db2.gz NLJJVUNTWRKGRM-KGLIPLIRSA-N 0 3 360.480 -0.263 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)[C@H]1CCOC1 ZINC000477575958 484903225 /nfs/dbraw/zinc/90/32/25/484903225.db2.gz NLJJVUNTWRKGRM-UONOGXRCSA-N 0 3 360.480 -0.263 20 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VFKGPUDNSZNQSB-CBAPKCEASA-N 0 3 362.433 -0.046 20 0 FBADHN CC(=O)Nc1nnc(S(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)s1 ZINC000478782934 484931569 /nfs/dbraw/zinc/93/15/69/484931569.db2.gz VFKGPUDNSZNQSB-IONNQARKSA-N 0 3 362.433 -0.046 20 0 FBADHN CC(=O)Nc1nnc(S(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)s1 ZINC000478782935 484932771 /nfs/dbraw/zinc/93/27/71/484932771.db2.gz VFKGPUDNSZNQSB-VXNVDRBHSA-N 0 3 362.433 -0.046 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478795082 484932791 /nfs/dbraw/zinc/93/27/91/484932791.db2.gz KFLLTHZBPZHMSC-UHFFFAOYSA-N 0 3 362.430 -0.279 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000478869313 484934871 /nfs/dbraw/zinc/93/48/71/484934871.db2.gz PVPCWHRYXHLQTQ-UHFFFAOYSA-N 0 3 368.503 -0.083 20 0 FBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(CC)C3)C2)CC1 ZINC000478882389 484937516 /nfs/dbraw/zinc/93/75/16/484937516.db2.gz GLZOLWPFMPOSNK-DLBZAZTESA-N 0 3 365.522 -0.175 20 0 FBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(CC)C3)C2)CC1 ZINC000478882391 484937086 /nfs/dbraw/zinc/93/70/86/484937086.db2.gz GLZOLWPFMPOSNK-IAGOWNOFSA-N 0 3 365.522 -0.175 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(CC)C3)C2)CC1 ZINC000478882395 484936714 /nfs/dbraw/zinc/93/67/14/484936714.db2.gz GLZOLWPFMPOSNK-IRXDYDNUSA-N 0 3 365.522 -0.175 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(CC)C3)C2)CC1 ZINC000478882399 484936538 /nfs/dbraw/zinc/93/65/38/484936538.db2.gz GLZOLWPFMPOSNK-SJORKVTESA-N 0 3 365.522 -0.175 20 0 FBADHN C[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000478946592 484938383 /nfs/dbraw/zinc/93/83/83/484938383.db2.gz AIBYRHMQUHLWOU-JTQLQIEISA-N 0 3 350.375 -0.408 20 0 FBADHN COC(=O)Cc1cccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000479020103 484941414 /nfs/dbraw/zinc/94/14/14/484941414.db2.gz ZZKKHJNIKZUWKC-UHFFFAOYSA-N 0 3 363.414 -0.087 20 0 FBADHN CN(CCNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C1CC1 ZINC000479084633 484943496 /nfs/dbraw/zinc/94/34/96/484943496.db2.gz HNAMSHFKLZYTJM-UHFFFAOYSA-N 0 3 368.415 -0.548 20 0 FBADHN NC[C@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000479088360 484943847 /nfs/dbraw/zinc/94/38/47/484943847.db2.gz DQGLENKIJYXRRA-HNNXBMFYSA-N 0 3 362.405 -0.183 20 0 FBADHN NC[C@@H](C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000479088361 484943694 /nfs/dbraw/zinc/94/36/94/484943694.db2.gz DQGLENKIJYXRRA-OAHLLOKOSA-N 0 3 362.405 -0.183 20 0 FBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479095315 484942859 /nfs/dbraw/zinc/94/28/59/484942859.db2.gz DQEZZDBLPMFXBD-KBPBESRZSA-N 0 3 371.434 -0.370 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479095316 484943299 /nfs/dbraw/zinc/94/32/99/484943299.db2.gz DQEZZDBLPMFXBD-KGLIPLIRSA-N 0 3 371.434 -0.370 20 0 FBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479095317 484942908 /nfs/dbraw/zinc/94/29/08/484942908.db2.gz DQEZZDBLPMFXBD-UONOGXRCSA-N 0 3 371.434 -0.370 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479095318 484943784 /nfs/dbraw/zinc/94/37/84/484943784.db2.gz DQEZZDBLPMFXBD-ZIAGYGMSSA-N 0 3 371.434 -0.370 20 0 FBADHN C[C@@H](NC(=O)[C@H](CN)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000479128096 484943711 /nfs/dbraw/zinc/94/37/11/484943711.db2.gz NOYXBTFTCSOHJP-BXUZGUMPSA-N 0 3 371.434 -0.370 20 0 FBADHN C[C@H](NC(=O)[C@@H](CN)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000479128097 484943552 /nfs/dbraw/zinc/94/35/52/484943552.db2.gz NOYXBTFTCSOHJP-FZMZJTMJSA-N 0 3 371.434 -0.370 20 0 FBADHN C[C@@H](NC(=O)[C@@H](CN)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000479128098 484943662 /nfs/dbraw/zinc/94/36/62/484943662.db2.gz NOYXBTFTCSOHJP-RISCZKNCSA-N 0 3 371.434 -0.370 20 0 FBADHN C[C@H](NC(=O)[C@H](CN)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000479128099 484943398 /nfs/dbraw/zinc/94/33/98/484943398.db2.gz NOYXBTFTCSOHJP-SMDDNHRTSA-N 0 3 371.434 -0.370 20 0 FBADHN C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@H]3C[C@@H](O)CN3)cn2)C[C@H](C)O1 ZINC000479136632 484942771 /nfs/dbraw/zinc/94/27/71/484942771.db2.gz VOVFHBUSPAKCCT-CDGCEXEKSA-N 0 3 351.407 -0.820 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@H]3C[C@@H](O)CN3)cn2)C[C@@H](C)O1 ZINC000479136634 484942923 /nfs/dbraw/zinc/94/29/23/484942923.db2.gz VOVFHBUSPAKCCT-HBJVGIJOSA-N 0 3 351.407 -0.820 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@H]3C[C@@H](O)CN3)cn2)C[C@H](C)O1 ZINC000479136638 484943344 /nfs/dbraw/zinc/94/33/44/484943344.db2.gz VOVFHBUSPAKCCT-ZMJPVWNMSA-N 0 3 351.407 -0.820 20 0 FBADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479149268 484943051 /nfs/dbraw/zinc/94/30/51/484943051.db2.gz FQRDKGQGBOBQED-KBPBESRZSA-N 0 3 350.394 -0.279 20 0 FBADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479149269 484943189 /nfs/dbraw/zinc/94/31/89/484943189.db2.gz FQRDKGQGBOBQED-KGLIPLIRSA-N 0 3 350.394 -0.279 20 0 FBADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479149270 484943762 /nfs/dbraw/zinc/94/37/62/484943762.db2.gz FQRDKGQGBOBQED-UONOGXRCSA-N 0 3 350.394 -0.279 20 0 FBADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479149271 484943651 /nfs/dbraw/zinc/94/36/51/484943651.db2.gz FQRDKGQGBOBQED-ZIAGYGMSSA-N 0 3 350.394 -0.279 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000479190032 484945044 /nfs/dbraw/zinc/94/50/44/484945044.db2.gz NEJJTTZAPCOOQU-INIZCTEOSA-N 0 3 366.437 -0.225 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000479190035 484944434 /nfs/dbraw/zinc/94/44/34/484944434.db2.gz NEJJTTZAPCOOQU-MRXNPFEDSA-N 0 3 366.437 -0.225 20 0 FBADHN NC[C@H](C(=O)NCC(=O)NCCN1CCOCC1)c1ccc(F)cc1 ZINC000479193088 484945172 /nfs/dbraw/zinc/94/51/72/484945172.db2.gz VIZCULURKJOONG-HNNXBMFYSA-N 0 3 352.410 -0.567 20 0 FBADHN NC[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)c1ccc(F)cc1 ZINC000479193094 484944658 /nfs/dbraw/zinc/94/46/58/484944658.db2.gz VIZCULURKJOONG-OAHLLOKOSA-N 0 3 352.410 -0.567 20 0 FBADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NC[C@@H](O)CN(C)C)n1 ZINC000479275406 484946284 /nfs/dbraw/zinc/94/62/84/484946284.db2.gz DZTPDFGMGXHHHC-CYBMUJFWSA-N 0 3 360.418 -0.139 20 0 FBADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NC[C@H](O)CN(C)C)n1 ZINC000479275409 484946657 /nfs/dbraw/zinc/94/66/57/484946657.db2.gz DZTPDFGMGXHHHC-ZDUSSCGKSA-N 0 3 360.418 -0.139 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1C ZINC000479286900 484947214 /nfs/dbraw/zinc/94/72/14/484947214.db2.gz RKTUZKOJENNAIM-UHFFFAOYSA-N 0 3 369.491 -0.001 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000479299907 484948100 /nfs/dbraw/zinc/94/81/00/484948100.db2.gz KJAJXSYTUZALNL-UHFFFAOYSA-N 0 3 355.464 -0.309 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCNc2ccncc2)c1 ZINC000479332820 484947335 /nfs/dbraw/zinc/94/73/35/484947335.db2.gz DIAMUNRWUAYNIV-UHFFFAOYSA-N 0 3 367.431 -0.402 20 0 FBADHN CCN1CCN(CCC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000479453578 484949923 /nfs/dbraw/zinc/94/99/23/484949923.db2.gz OBZPUWGQXBTHIH-UHFFFAOYSA-N 0 3 365.478 -0.005 20 0 FBADHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000479507598 484950102 /nfs/dbraw/zinc/95/01/02/484950102.db2.gz SQFZGDDUMMZHLC-AWEZNQCLSA-N 0 3 360.524 -0.248 20 0 FBADHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000479507601 484950172 /nfs/dbraw/zinc/95/01/72/484950172.db2.gz SQFZGDDUMMZHLC-CQSZACIVSA-N 0 3 360.524 -0.248 20 0 FBADHN CN(C)CCn1nnnc1SCC(=O)NC(=O)NCC(F)(F)F ZINC000479667908 484951635 /nfs/dbraw/zinc/95/16/35/484951635.db2.gz SBRQPHWLYKHDOJ-UHFFFAOYSA-N 0 3 355.346 -0.285 20 0 FBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)s1 ZINC000479785874 484954521 /nfs/dbraw/zinc/95/45/21/484954521.db2.gz ZRJJWMFCEYMZPM-MGCOHNPYSA-N 0 3 367.518 -0.002 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000479796480 484954666 /nfs/dbraw/zinc/95/46/66/484954666.db2.gz ZMODTRJEUNMONJ-KEMUVXCRSA-N 0 3 368.415 -0.482 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000479796481 484954321 /nfs/dbraw/zinc/95/43/21/484954321.db2.gz ZMODTRJEUNMONJ-UTEYVOQOSA-N 0 3 368.415 -0.482 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479811583 484954391 /nfs/dbraw/zinc/95/43/91/484954391.db2.gz NOSWFRRXRPTYRS-INIZCTEOSA-N 0 3 358.508 -0.670 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479811588 484954127 /nfs/dbraw/zinc/95/41/27/484954127.db2.gz NOSWFRRXRPTYRS-MRXNPFEDSA-N 0 3 358.508 -0.670 20 0 FBADHN CN(CCNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000479834957 484954626 /nfs/dbraw/zinc/95/46/26/484954626.db2.gz XRQWFPAWVIIRBP-KRWDZBQOSA-N 0 3 370.519 -0.479 20 0 FBADHN CN(CCNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000479834958 484954418 /nfs/dbraw/zinc/95/44/18/484954418.db2.gz XRQWFPAWVIIRBP-QGZVFWFLSA-N 0 3 370.519 -0.479 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1c(C)nn(C)c1OC ZINC000480009189 484959509 /nfs/dbraw/zinc/95/95/09/484959509.db2.gz NIZJBLFXTQSUEH-UHFFFAOYSA-N 0 3 355.439 -0.610 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCN(C)C)c1 ZINC000480089997 484962021 /nfs/dbraw/zinc/96/20/21/484962021.db2.gz GDFMYGZNVPLHTE-UHFFFAOYSA-N 0 3 372.491 -0.101 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCc2nc(N)no2)CC1=O ZINC000480116482 484501475 /nfs/dbraw/zinc/50/14/75/484501475.db2.gz MJUJIVRLTYAKAV-NEPJUHHUSA-N 0 3 350.423 -0.357 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2nc(N)no2)CC1=O ZINC000480116486 484501256 /nfs/dbraw/zinc/50/12/56/484501256.db2.gz MJUJIVRLTYAKAV-NWDGAFQWSA-N 0 3 350.423 -0.357 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCc2nc(N)no2)CC1=O ZINC000480116488 484501300 /nfs/dbraw/zinc/50/13/00/484501300.db2.gz MJUJIVRLTYAKAV-RYUDHWBXSA-N 0 3 350.423 -0.357 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCc2nc(N)no2)CC1=O ZINC000480116490 484501667 /nfs/dbraw/zinc/50/16/67/484501667.db2.gz MJUJIVRLTYAKAV-VXGBXAGGSA-N 0 3 350.423 -0.357 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000480257905 484964449 /nfs/dbraw/zinc/96/44/49/484964449.db2.gz MBYMNIKRDLIIST-GFCCVEGCSA-N 0 3 364.493 -0.473 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000480257991 484965082 /nfs/dbraw/zinc/96/50/82/484965082.db2.gz MBYMNIKRDLIIST-LBPRGKRZSA-N 0 3 364.493 -0.473 20 0 FBADHN CN(C)[C@@]1(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)CCSC1 ZINC000480271302 484964516 /nfs/dbraw/zinc/96/45/16/484964516.db2.gz YYDRNZKLUVUHMM-CYBMUJFWSA-N 0 3 361.493 -0.748 20 0 FBADHN CN(C)[C@]1(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)CCSC1 ZINC000480271303 484964902 /nfs/dbraw/zinc/96/49/02/484964902.db2.gz YYDRNZKLUVUHMM-ZDUSSCGKSA-N 0 3 361.493 -0.748 20 0 FBADHN CCN(CC)CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480308476 484966279 /nfs/dbraw/zinc/96/62/79/484966279.db2.gz PMGPAUFAFHNPIS-UHFFFAOYSA-N 0 3 355.526 -0.081 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000480369789 484966179 /nfs/dbraw/zinc/96/61/79/484966179.db2.gz IJTGKSRSFDWMCN-BXUZGUMPSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000480369790 484966391 /nfs/dbraw/zinc/96/63/91/484966391.db2.gz IJTGKSRSFDWMCN-FZMZJTMJSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000480369791 484966366 /nfs/dbraw/zinc/96/63/66/484966366.db2.gz IJTGKSRSFDWMCN-RISCZKNCSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000480369792 484966413 /nfs/dbraw/zinc/96/64/13/484966413.db2.gz IJTGKSRSFDWMCN-SMDDNHRTSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](CO)[C@@H]1CCCO1 ZINC000480394143 484967301 /nfs/dbraw/zinc/96/73/01/484967301.db2.gz HMDVIAQTBLIDNP-KBPBESRZSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](CO)[C@@H]1CCCO1 ZINC000480394148 484967539 /nfs/dbraw/zinc/96/75/39/484967539.db2.gz HMDVIAQTBLIDNP-KGLIPLIRSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](CO)[C@H]1CCCO1 ZINC000480394150 484967931 /nfs/dbraw/zinc/96/79/31/484967931.db2.gz HMDVIAQTBLIDNP-UONOGXRCSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](CO)[C@H]1CCCO1 ZINC000480394152 484967517 /nfs/dbraw/zinc/96/75/17/484967517.db2.gz HMDVIAQTBLIDNP-ZIAGYGMSSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000480401064 484967676 /nfs/dbraw/zinc/96/76/76/484967676.db2.gz JUZJVIYVMYSCEP-INIZCTEOSA-N 0 3 369.491 -0.038 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000480401065 484967865 /nfs/dbraw/zinc/96/78/65/484967865.db2.gz JUZJVIYVMYSCEP-MRXNPFEDSA-N 0 3 369.491 -0.038 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@]1(O)CCO[C@H]1C ZINC000480440596 484968556 /nfs/dbraw/zinc/96/85/56/484968556.db2.gz PZQLZDGDDQAKHW-DZGCQCFKSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000480440598 484969166 /nfs/dbraw/zinc/96/91/66/484969166.db2.gz PZQLZDGDDQAKHW-HIFRSBDPSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000480440599 484968820 /nfs/dbraw/zinc/96/88/20/484968820.db2.gz PZQLZDGDDQAKHW-UKRRQHHQSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@]1(O)CCO[C@H]1C ZINC000480440601 484968496 /nfs/dbraw/zinc/96/84/96/484968496.db2.gz PZQLZDGDDQAKHW-ZFWWWQNUSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCS(C)(=O)=O ZINC000480473275 484968978 /nfs/dbraw/zinc/96/89/78/484968978.db2.gz USUIZNHODRJFIG-UHFFFAOYSA-N 0 3 366.509 -0.225 20 0 FBADHN COCn1nccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000480528650 484971534 /nfs/dbraw/zinc/97/15/34/484971534.db2.gz QGPZAEWGANTDES-GFCCVEGCSA-N 0 3 359.452 -0.647 20 0 FBADHN COCn1nccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000480528658 484971446 /nfs/dbraw/zinc/97/14/46/484971446.db2.gz QGPZAEWGANTDES-LBPRGKRZSA-N 0 3 359.452 -0.647 20 0 FBADHN COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCO1 ZINC000480535575 484971430 /nfs/dbraw/zinc/97/14/30/484971430.db2.gz KPXZQRHRYJJSRD-CYBMUJFWSA-N 0 3 374.463 -0.376 20 0 FBADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCO1 ZINC000480535577 484971499 /nfs/dbraw/zinc/97/14/99/484971499.db2.gz KPXZQRHRYJJSRD-ZDUSSCGKSA-N 0 3 374.463 -0.376 20 0 FBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccnn2COC)CC1 ZINC000480537614 484971715 /nfs/dbraw/zinc/97/17/15/484971715.db2.gz GKQZSVPBPUCQAK-UHFFFAOYSA-N 0 3 373.479 -0.338 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000480556444 484973354 /nfs/dbraw/zinc/97/33/54/484973354.db2.gz VKDJLNOXLYSNRD-UHFFFAOYSA-N 0 3 364.493 -0.519 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480641115 484973838 /nfs/dbraw/zinc/97/38/38/484973838.db2.gz IUQNFHMXCPCYPI-OLZOCXBDSA-N 0 3 374.463 -0.642 20 0 FBADHN COc1c(CNC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)c(C)nn1C ZINC000480649628 484974339 /nfs/dbraw/zinc/97/43/39/484974339.db2.gz PSZLOPJEKVGMOA-GFCCVEGCSA-N 0 3 353.423 -0.858 20 0 FBADHN COc1c(CNC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)c(C)nn1C ZINC000480649629 484974504 /nfs/dbraw/zinc/97/45/04/484974504.db2.gz PSZLOPJEKVGMOA-LBPRGKRZSA-N 0 3 353.423 -0.858 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1(O)CCN(C)CC1 ZINC000480685478 484976159 /nfs/dbraw/zinc/97/61/59/484976159.db2.gz WIVVADFZMYDCRP-UHFFFAOYSA-N 0 3 373.523 -0.203 20 0 FBADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1CN2CCN1CCC2 ZINC000480745333 484976685 /nfs/dbraw/zinc/97/66/85/484976685.db2.gz VUTMKNYMBBIPPX-DOTOQJQBSA-N 0 3 354.520 -0.300 20 0 FBADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@H]1CN2CCN1CCC2 ZINC000480745334 484976705 /nfs/dbraw/zinc/97/67/05/484976705.db2.gz VUTMKNYMBBIPPX-NVXWUHKLSA-N 0 3 354.520 -0.300 20 0 FBADHN O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CN2CCN1CCC2 ZINC000480745335 484977643 /nfs/dbraw/zinc/97/76/43/484977643.db2.gz VUTMKNYMBBIPPX-RDJZCZTQSA-N 0 3 354.520 -0.300 20 0 FBADHN O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@H]1CN2CCN1CCC2 ZINC000480745336 484977468 /nfs/dbraw/zinc/97/74/68/484977468.db2.gz VUTMKNYMBBIPPX-WBVHZDCISA-N 0 3 354.520 -0.300 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCN(C)C1=O ZINC000480762357 484978535 /nfs/dbraw/zinc/97/85/35/484978535.db2.gz DRDJYTVLOZBCLC-CYBMUJFWSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCCN(C)C1=O ZINC000480762360 484978067 /nfs/dbraw/zinc/97/80/67/484978067.db2.gz DRDJYTVLOZBCLC-ZDUSSCGKSA-N 0 3 357.480 -0.039 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480762603 484978351 /nfs/dbraw/zinc/97/83/51/484978351.db2.gz ZSXHHMCFDSYTCG-UHFFFAOYSA-N 0 3 355.526 -0.033 20 0 FBADHN COC(=O)[C@H]1COCCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480766103 484978114 /nfs/dbraw/zinc/97/81/14/484978114.db2.gz BOTUPLXTPMHAAZ-CYBMUJFWSA-N 0 3 374.463 -0.376 20 0 FBADHN COC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480766104 484978654 /nfs/dbraw/zinc/97/86/54/484978654.db2.gz BOTUPLXTPMHAAZ-ZDUSSCGKSA-N 0 3 374.463 -0.376 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000480768762 484978675 /nfs/dbraw/zinc/97/86/75/484978675.db2.gz WIEWFFWHGZWDDI-CYBMUJFWSA-N 0 3 370.479 -0.540 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000480768767 484978104 /nfs/dbraw/zinc/97/81/04/484978104.db2.gz WIEWFFWHGZWDDI-ZDUSSCGKSA-N 0 3 370.479 -0.540 20 0 FBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000480792554 484978133 /nfs/dbraw/zinc/97/81/33/484978133.db2.gz PHJQTKDHRDURFD-KBPBESRZSA-N 0 3 365.434 -0.945 20 0 FBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000480792567 484978632 /nfs/dbraw/zinc/97/86/32/484978632.db2.gz PHJQTKDHRDURFD-KGLIPLIRSA-N 0 3 365.434 -0.945 20 0 FBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000480792569 484978573 /nfs/dbraw/zinc/97/85/73/484978573.db2.gz PHJQTKDHRDURFD-UONOGXRCSA-N 0 3 365.434 -0.945 20 0 FBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000480792571 484978496 /nfs/dbraw/zinc/97/84/96/484978496.db2.gz PHJQTKDHRDURFD-ZIAGYGMSSA-N 0 3 365.434 -0.945 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCc1ncn(C)n1 ZINC000480796774 484978433 /nfs/dbraw/zinc/97/84/33/484978433.db2.gz JAENVJBFDIANQM-UHFFFAOYSA-N 0 3 355.468 -0.289 20 0 FBADHN COC(=O)[C@]1(NS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCOC1 ZINC000480799940 484978514 /nfs/dbraw/zinc/97/85/14/484978514.db2.gz RTZNUUJOIXTFOB-HNNXBMFYSA-N 0 3 374.463 -0.328 20 0 FBADHN COC(=O)[C@@]1(NS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCOC1 ZINC000480799944 484978874 /nfs/dbraw/zinc/97/88/74/484978874.db2.gz RTZNUUJOIXTFOB-OAHLLOKOSA-N 0 3 374.463 -0.328 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCc1cc(C(N)=O)no1 ZINC000480803145 484980034 /nfs/dbraw/zinc/98/00/34/484980034.db2.gz HQFDLRZJGDRMLJ-UHFFFAOYSA-N 0 3 370.435 -0.373 20 0 FBADHN CC(=O)N1CC[C@H](NS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000480809477 484980125 /nfs/dbraw/zinc/98/01/25/484980125.db2.gz YOMWAHFWTLDARD-AWEZNQCLSA-N 0 3 357.480 -0.039 20 0 FBADHN CC(=O)N1CC[C@@H](NS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000480809479 484979590 /nfs/dbraw/zinc/97/95/90/484979590.db2.gz YOMWAHFWTLDARD-CQSZACIVSA-N 0 3 357.480 -0.039 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000480862207 484981723 /nfs/dbraw/zinc/98/17/23/484981723.db2.gz GPNCAJCBPVBKIU-HNNXBMFYSA-N 0 3 362.478 -0.001 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000480862209 484982000 /nfs/dbraw/zinc/98/20/00/484982000.db2.gz GPNCAJCBPVBKIU-OAHLLOKOSA-N 0 3 362.478 -0.001 20 0 FBADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000480870586 484982894 /nfs/dbraw/zinc/98/28/94/484982894.db2.gz CAQPVOPAVQFBQV-CRWXNKLISA-N 0 3 354.451 -0.818 20 0 FBADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000480870590 484982691 /nfs/dbraw/zinc/98/26/91/484982691.db2.gz CAQPVOPAVQFBQV-RFQIPJPRSA-N 0 3 354.451 -0.818 20 0 FBADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000480870592 484982674 /nfs/dbraw/zinc/98/26/74/484982674.db2.gz CAQPVOPAVQFBQV-RQJABVFESA-N 0 3 354.451 -0.818 20 0 FBADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000480870594 484982856 /nfs/dbraw/zinc/98/28/56/484982856.db2.gz CAQPVOPAVQFBQV-XJFOESAGSA-N 0 3 354.451 -0.818 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC(n2ccnn2)C1 ZINC000480870979 484982776 /nfs/dbraw/zinc/98/27/76/484982776.db2.gz LQDHVYVDMAKLPX-UHFFFAOYSA-N 0 3 353.452 -0.101 20 0 FBADHN CCN1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC1=O ZINC000480873898 484983201 /nfs/dbraw/zinc/98/32/01/484983201.db2.gz XETAJTLNNBBEDW-UHFFFAOYSA-N 0 3 357.480 -0.086 20 0 FBADHN CCOC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480877392 484984598 /nfs/dbraw/zinc/98/45/98/484984598.db2.gz PIYHOCIAWSMERG-GFCCVEGCSA-N 0 3 362.452 -0.736 20 0 FBADHN CCOC(=O)[C@H](CO)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480877397 484984729 /nfs/dbraw/zinc/98/47/29/484984729.db2.gz PIYHOCIAWSMERG-LBPRGKRZSA-N 0 3 362.452 -0.736 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@]1(O)CCN(C)C1 ZINC000480881095 484984796 /nfs/dbraw/zinc/98/47/96/484984796.db2.gz QLPCMIJDWLKSNU-HNNXBMFYSA-N 0 3 359.496 -0.594 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@]1(O)CCN(C)C1 ZINC000480881102 484984423 /nfs/dbraw/zinc/98/44/23/484984423.db2.gz QLPCMIJDWLKSNU-OAHLLOKOSA-N 0 3 359.496 -0.594 20 0 FBADHN CCN(CCO)CCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480884824 484984389 /nfs/dbraw/zinc/98/43/89/484984389.db2.gz YQJQASNGRGXNOC-UHFFFAOYSA-N 0 3 361.512 -0.346 20 0 FBADHN COC[C@@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OC ZINC000480898042 484985579 /nfs/dbraw/zinc/98/55/79/484985579.db2.gz LVDGEDAOVLLWMU-GFCCVEGCSA-N 0 3 362.452 -0.472 20 0 FBADHN COC[C@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OC ZINC000480898048 484985379 /nfs/dbraw/zinc/98/53/79/484985379.db2.gz LVDGEDAOVLLWMU-LBPRGKRZSA-N 0 3 362.452 -0.472 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)CS(C)(=O)=O ZINC000480901372 484985716 /nfs/dbraw/zinc/98/57/16/484985716.db2.gz BRWRSXFHJNATKW-JTQLQIEISA-N 0 3 366.509 -0.227 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)CS(C)(=O)=O ZINC000480901373 484986062 /nfs/dbraw/zinc/98/60/62/484986062.db2.gz BRWRSXFHJNATKW-SNVBAGLBSA-N 0 3 366.509 -0.227 20 0 FBADHN CN1CCC(O)(CNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000480910910 484986327 /nfs/dbraw/zinc/98/63/27/484986327.db2.gz PUDZSLDCHPCBGO-KRWDZBQOSA-N 0 3 360.414 -0.072 20 0 FBADHN CN1CCC(O)(CNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000480910912 484985736 /nfs/dbraw/zinc/98/57/36/484985736.db2.gz PUDZSLDCHPCBGO-QGZVFWFLSA-N 0 3 360.414 -0.072 20 0 FBADHN CN(C)CCOCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480913453 484986122 /nfs/dbraw/zinc/98/61/22/484986122.db2.gz SXVNVUZGXUZUOF-UHFFFAOYSA-N 0 3 351.450 -0.658 20 0 FBADHN CN(C)CCOCCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480916297 484986033 /nfs/dbraw/zinc/98/60/33/484986033.db2.gz ZBFYMMMIUDILFW-UHFFFAOYSA-N 0 3 371.525 -0.844 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCNC(=O)N(C)C ZINC000480922358 484987508 /nfs/dbraw/zinc/98/75/08/484987508.db2.gz WUYJUKIGFIXETE-UHFFFAOYSA-N 0 3 360.484 -0.389 20 0 FBADHN CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000480922980 484987780 /nfs/dbraw/zinc/98/77/80/484987780.db2.gz ABKPBXGTPAPTPJ-CYBMUJFWSA-N 0 3 372.495 -0.246 20 0 FBADHN CNC(=O)N[C@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000480922981 484987825 /nfs/dbraw/zinc/98/78/25/484987825.db2.gz ABKPBXGTPAPTPJ-ZDUSSCGKSA-N 0 3 372.495 -0.246 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000480927306 484986874 /nfs/dbraw/zinc/98/68/74/484986874.db2.gz NMVIXRVNFDWFQR-AWEZNQCLSA-N 0 3 370.479 -0.193 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](CO)c1cnn(C)c1 ZINC000480927307 484987372 /nfs/dbraw/zinc/98/73/72/484987372.db2.gz NMVIXRVNFDWFQR-CQSZACIVSA-N 0 3 370.479 -0.193 20 0 FBADHN COC(=O)[C@@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)[C@@H](C)O ZINC000480930084 484987464 /nfs/dbraw/zinc/98/74/64/484987464.db2.gz QGNYWRHLSVLPNK-NEPJUHHUSA-N 0 3 362.452 -0.738 20 0 FBADHN COC(=O)[C@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)[C@H](C)O ZINC000480930087 484987046 /nfs/dbraw/zinc/98/70/46/484987046.db2.gz QGNYWRHLSVLPNK-NWDGAFQWSA-N 0 3 362.452 -0.738 20 0 FBADHN COC(=O)[C@@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)[C@H](C)O ZINC000480930091 484986883 /nfs/dbraw/zinc/98/68/83/484986883.db2.gz QGNYWRHLSVLPNK-RYUDHWBXSA-N 0 3 362.452 -0.738 20 0 FBADHN COC(=O)[C@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)[C@@H](C)O ZINC000480930093 484987542 /nfs/dbraw/zinc/98/75/42/484987542.db2.gz QGNYWRHLSVLPNK-VXGBXAGGSA-N 0 3 362.452 -0.738 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000480943322 484987913 /nfs/dbraw/zinc/98/79/13/484987913.db2.gz CCQRRFWQPNOUNG-BARDWOONSA-N 0 3 368.478 -0.558 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC000480943323 484986959 /nfs/dbraw/zinc/98/69/59/484986959.db2.gz CCQRRFWQPNOUNG-TUVASFSCSA-N 0 3 368.478 -0.558 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000480943324 484987948 /nfs/dbraw/zinc/98/79/48/484987948.db2.gz CCQRRFWQPNOUNG-XGUBFFRZSA-N 0 3 368.478 -0.558 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC000480943325 484986971 /nfs/dbraw/zinc/98/69/71/484986971.db2.gz CCQRRFWQPNOUNG-XQLPTFJDSA-N 0 3 368.478 -0.558 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000480944885 484987520 /nfs/dbraw/zinc/98/75/20/484987520.db2.gz IHKJVDFKKMOAGP-BYNSBNAKSA-N 0 3 367.494 -0.001 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000480944886 484987383 /nfs/dbraw/zinc/98/73/83/484987383.db2.gz IHKJVDFKKMOAGP-KBUPBQIOSA-N 0 3 367.494 -0.001 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000480944887 484987618 /nfs/dbraw/zinc/98/76/18/484987618.db2.gz IHKJVDFKKMOAGP-LJISPDSOSA-N 0 3 367.494 -0.001 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000480944888 484988003 /nfs/dbraw/zinc/98/80/03/484988003.db2.gz IHKJVDFKKMOAGP-LXTVHRRPSA-N 0 3 367.494 -0.001 20 0 FBADHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000480947627 484987337 /nfs/dbraw/zinc/98/73/37/484987337.db2.gz UYNPVKYRTSGKPV-CHWSQXEVSA-N 0 3 374.507 -0.498 20 0 FBADHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000480947629 484987712 /nfs/dbraw/zinc/98/77/12/484987712.db2.gz UYNPVKYRTSGKPV-OLZOCXBDSA-N 0 3 374.507 -0.498 20 0 FBADHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000480947631 484987320 /nfs/dbraw/zinc/98/73/20/484987320.db2.gz UYNPVKYRTSGKPV-QWHCGFSZSA-N 0 3 374.507 -0.498 20 0 FBADHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000480947633 484987037 /nfs/dbraw/zinc/98/70/37/484987037.db2.gz UYNPVKYRTSGKPV-STQMWFEESA-N 0 3 374.507 -0.498 20 0 FBADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000480971827 484989401 /nfs/dbraw/zinc/98/94/01/484989401.db2.gz NHMYXIQQAJFHJK-CRWXNKLISA-N 0 3 374.507 -0.642 20 0 FBADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000480971828 484988601 /nfs/dbraw/zinc/98/86/01/484988601.db2.gz NHMYXIQQAJFHJK-RFQIPJPRSA-N 0 3 374.507 -0.642 20 0 FBADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000480971829 484988959 /nfs/dbraw/zinc/98/89/59/484988959.db2.gz NHMYXIQQAJFHJK-RQJABVFESA-N 0 3 374.507 -0.642 20 0 FBADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000480971830 484988892 /nfs/dbraw/zinc/98/88/92/484988892.db2.gz NHMYXIQQAJFHJK-XJFOESAGSA-N 0 3 374.507 -0.642 20 0 FBADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000481010850 484990754 /nfs/dbraw/zinc/99/07/54/484990754.db2.gz XNGSJVSYMPOMIS-TWMKSMIVSA-N 0 3 367.538 -0.169 20 0 FBADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000481010853 484990383 /nfs/dbraw/zinc/99/03/83/484990383.db2.gz XNGSJVSYMPOMIS-VVLHAWIVSA-N 0 3 367.538 -0.169 20 0 FBADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000481010855 484990878 /nfs/dbraw/zinc/99/08/78/484990878.db2.gz XNGSJVSYMPOMIS-YVSFHVDLSA-N 0 3 367.538 -0.169 20 0 FBADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000481010858 484990445 /nfs/dbraw/zinc/99/04/45/484990445.db2.gz XNGSJVSYMPOMIS-YYIAUSFCSA-N 0 3 367.538 -0.169 20 0 FBADHN COc1cnccc1N1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000481032556 484990116 /nfs/dbraw/zinc/99/01/16/484990116.db2.gz DYQNURFTBDKFNM-UHFFFAOYSA-N 0 3 358.402 -0.071 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)CCO1 ZINC000481058685 484990550 /nfs/dbraw/zinc/99/05/50/484990550.db2.gz ZEJKIFPBZOKXFR-KBPBESRZSA-N 0 3 368.478 -0.414 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCO1 ZINC000481058699 484990696 /nfs/dbraw/zinc/99/06/96/484990696.db2.gz ZEJKIFPBZOKXFR-KGLIPLIRSA-N 0 3 368.478 -0.414 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)CCO1 ZINC000481058701 484990194 /nfs/dbraw/zinc/99/01/94/484990194.db2.gz ZEJKIFPBZOKXFR-UONOGXRCSA-N 0 3 368.478 -0.414 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCO1 ZINC000481058703 484990034 /nfs/dbraw/zinc/99/00/34/484990034.db2.gz ZEJKIFPBZOKXFR-ZIAGYGMSSA-N 0 3 368.478 -0.414 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000481134813 484992290 /nfs/dbraw/zinc/99/22/90/484992290.db2.gz JVZAZPZGQWHYAK-UHFFFAOYSA-N 0 3 352.391 -0.509 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481160766 484993118 /nfs/dbraw/zinc/99/31/18/484993118.db2.gz ADEXZJFXGPNJGB-KBPBESRZSA-N 0 3 374.507 -0.673 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481160767 484992059 /nfs/dbraw/zinc/99/20/59/484992059.db2.gz ADEXZJFXGPNJGB-KGLIPLIRSA-N 0 3 374.507 -0.673 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481160768 484992578 /nfs/dbraw/zinc/99/25/78/484992578.db2.gz ADEXZJFXGPNJGB-UONOGXRCSA-N 0 3 374.507 -0.673 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481160769 484993308 /nfs/dbraw/zinc/99/33/08/484993308.db2.gz ADEXZJFXGPNJGB-ZIAGYGMSSA-N 0 3 374.507 -0.673 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481182801 484994624 /nfs/dbraw/zinc/99/46/24/484994624.db2.gz ARDXIXAWOONRGT-AWEZNQCLSA-N 0 3 367.537 -0.116 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481182803 484994631 /nfs/dbraw/zinc/99/46/31/484994631.db2.gz ARDXIXAWOONRGT-CQSZACIVSA-N 0 3 367.537 -0.116 20 0 FBADHN CC(C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O)S(=O)(=O)C1CCOCC1 ZINC000481203056 484994311 /nfs/dbraw/zinc/99/43/11/484994311.db2.gz CYQPMSGBIJTLSX-BXKDBHETSA-N 0 3 358.416 -0.625 20 0 FBADHN CC(C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)S(=O)(=O)C1CCOCC1 ZINC000481203063 484994322 /nfs/dbraw/zinc/99/43/22/484994322.db2.gz CYQPMSGBIJTLSX-CABZTGNLSA-N 0 3 358.416 -0.625 20 0 FBADHN CC(C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O)S(=O)(=O)C1CCOCC1 ZINC000481203067 484994126 /nfs/dbraw/zinc/99/41/26/484994126.db2.gz CYQPMSGBIJTLSX-JOYOIKCWSA-N 0 3 358.416 -0.625 20 0 FBADHN CC(C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)S(=O)(=O)C1CCOCC1 ZINC000481203070 484994252 /nfs/dbraw/zinc/99/42/52/484994252.db2.gz CYQPMSGBIJTLSX-SKDRFNHKSA-N 0 3 358.416 -0.625 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C2CCN(S(N)(=O)=O)CC2)CCSC1 ZINC000481210831 484994571 /nfs/dbraw/zinc/99/45/71/484994571.db2.gz FSTJGKOMNGQKAB-CYBMUJFWSA-N 0 3 350.510 -0.545 20 0 FBADHN CN(C)[C@]1(CNC(=O)C2CCN(S(N)(=O)=O)CC2)CCSC1 ZINC000481210834 484994558 /nfs/dbraw/zinc/99/45/58/484994558.db2.gz FSTJGKOMNGQKAB-ZDUSSCGKSA-N 0 3 350.510 -0.545 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000481225358 484994484 /nfs/dbraw/zinc/99/44/84/484994484.db2.gz MCGFWDNCFONHKK-CHWSQXEVSA-N 0 3 374.507 -0.769 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000481225359 484994402 /nfs/dbraw/zinc/99/44/02/484994402.db2.gz MCGFWDNCFONHKK-OLZOCXBDSA-N 0 3 374.507 -0.769 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000481225360 484994435 /nfs/dbraw/zinc/99/44/35/484994435.db2.gz MCGFWDNCFONHKK-QWHCGFSZSA-N 0 3 374.507 -0.769 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000481225361 484994545 /nfs/dbraw/zinc/99/45/45/484994545.db2.gz MCGFWDNCFONHKK-STQMWFEESA-N 0 3 374.507 -0.769 20 0 FBADHN CN(C)[C@@]1(CNC(=O)NCCS(=O)(=O)NC2CC2)CCSC1 ZINC000481308133 484997318 /nfs/dbraw/zinc/99/73/18/484997318.db2.gz PYFJOYRZKAOMBI-CYBMUJFWSA-N 0 3 350.510 -0.195 20 0 FBADHN CN(C)[C@]1(CNC(=O)NCCS(=O)(=O)NC2CC2)CCSC1 ZINC000481308139 484996540 /nfs/dbraw/zinc/99/65/40/484996540.db2.gz PYFJOYRZKAOMBI-ZDUSSCGKSA-N 0 3 350.510 -0.195 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000481315462 484997093 /nfs/dbraw/zinc/99/70/93/484997093.db2.gz VRUMFRZBJQJFME-BZUAXINKSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000481315465 484996969 /nfs/dbraw/zinc/99/69/69/484996969.db2.gz VRUMFRZBJQJFME-OAGGEKHMSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000481315467 484997387 /nfs/dbraw/zinc/99/73/87/484997387.db2.gz VRUMFRZBJQJFME-OWCLPIDISA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000481315468 484996798 /nfs/dbraw/zinc/99/67/98/484996798.db2.gz VRUMFRZBJQJFME-PMPSAXMXSA-N 0 3 353.511 -0.415 20 0 FBADHN COCCN(CCOC)S(=O)(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481341595 484996834 /nfs/dbraw/zinc/99/68/34/484996834.db2.gz QZYWRHNQSMDFPY-CYBMUJFWSA-N 0 3 355.526 -0.147 20 0 FBADHN COCCN(CCOC)S(=O)(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481341604 484997136 /nfs/dbraw/zinc/99/71/36/484997136.db2.gz QZYWRHNQSMDFPY-ZDUSSCGKSA-N 0 3 355.526 -0.147 20 0 FBADHN COC(=O)CN(CC(=O)OC)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481488141 484998667 /nfs/dbraw/zinc/99/86/67/484998667.db2.gz ABUMDXXNMDMPTR-JTQLQIEISA-N 0 3 365.404 -0.857 20 0 FBADHN COC(=O)CN(CC(=O)OC)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481488142 484998696 /nfs/dbraw/zinc/99/86/96/484998696.db2.gz ABUMDXXNMDMPTR-SNVBAGLBSA-N 0 3 365.404 -0.857 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000481502407 484999972 /nfs/dbraw/zinc/99/99/72/484999972.db2.gz ZDSHTYIEWZSHAK-HNNXBMFYSA-N 0 3 357.480 -0.052 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000481502408 485000078 /nfs/dbraw/zinc/00/00/78/485000078.db2.gz ZDSHTYIEWZSHAK-OAHLLOKOSA-N 0 3 357.480 -0.052 20 0 FBADHN COC(=O)CCN(C)S(=O)(=O)N1CCN(c2ccncc2OC)CC1 ZINC000481506609 485000034 /nfs/dbraw/zinc/00/00/34/485000034.db2.gz CNCLEDMRORGMHN-UHFFFAOYSA-N 0 3 372.447 -0.048 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CCCN(C)C2=O)CC1 ZINC000481518085 484999210 /nfs/dbraw/zinc/99/92/10/484999210.db2.gz IUCNCFQTRBKQAL-AWEZNQCLSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CCCN(C)C2=O)CC1 ZINC000481518087 484999622 /nfs/dbraw/zinc/99/96/22/484999622.db2.gz IUCNCFQTRBKQAL-CQSZACIVSA-N 0 3 353.467 -0.151 20 0 FBADHN C[C@@H](CNC(=O)NCC1(CS(C)(=O)=O)CC1)CN1CCN(C)CC1 ZINC000481518138 484999642 /nfs/dbraw/zinc/99/96/42/484999642.db2.gz KVXKNRSQUIGASD-AWEZNQCLSA-N 0 3 360.524 -0.006 20 0 FBADHN C[C@H](CNC(=O)NCC1(CS(C)(=O)=O)CC1)CN1CCN(C)CC1 ZINC000481518144 485000045 /nfs/dbraw/zinc/00/00/45/485000045.db2.gz KVXKNRSQUIGASD-CQSZACIVSA-N 0 3 360.524 -0.006 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCCN(C)C1=O ZINC000481531554 484999734 /nfs/dbraw/zinc/99/97/34/484999734.db2.gz MKEJCFBZXWIWPN-KBPBESRZSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCN(C)C1=O ZINC000481531557 484999156 /nfs/dbraw/zinc/99/91/56/484999156.db2.gz MKEJCFBZXWIWPN-KGLIPLIRSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCCN(C)C1=O ZINC000481531560 484999713 /nfs/dbraw/zinc/99/97/13/484999713.db2.gz MKEJCFBZXWIWPN-UONOGXRCSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCCN(C)C1=O ZINC000481531561 485000096 /nfs/dbraw/zinc/00/00/96/485000096.db2.gz MKEJCFBZXWIWPN-ZIAGYGMSSA-N 0 3 353.467 -0.151 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000481568374 485000895 /nfs/dbraw/zinc/00/08/95/485000895.db2.gz KWWAVHLSIUZYIB-CABCVRRESA-N 0 3 374.507 -0.015 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000481568376 485000567 /nfs/dbraw/zinc/00/05/67/485000567.db2.gz KWWAVHLSIUZYIB-GJZGRUSLSA-N 0 3 374.507 -0.015 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC000481568377 485001067 /nfs/dbraw/zinc/00/10/67/485001067.db2.gz KWWAVHLSIUZYIB-HUUCEWRRSA-N 0 3 374.507 -0.015 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC000481568378 485001087 /nfs/dbraw/zinc/00/10/87/485001087.db2.gz KWWAVHLSIUZYIB-LSDHHAIUSA-N 0 3 374.507 -0.015 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC(=O)NCC(F)F ZINC000481581132 485000973 /nfs/dbraw/zinc/00/09/73/485000973.db2.gz WCFYUEGSOSFCNN-UHFFFAOYSA-N 0 3 367.422 -0.279 20 0 FBADHN CN(C)[C@]1(CNC(=O)NCCNC(=O)c2cnccn2)CCSC1 ZINC000481687737 485002675 /nfs/dbraw/zinc/00/26/75/485002675.db2.gz RKUSROGSOBWXJU-HNNXBMFYSA-N 0 3 352.464 -0.057 20 0 FBADHN CN(C)[C@@]1(CNC(=O)NCCNC(=O)c2cnccn2)CCSC1 ZINC000481687739 485003295 /nfs/dbraw/zinc/00/32/95/485003295.db2.gz RKUSROGSOBWXJU-OAHLLOKOSA-N 0 3 352.464 -0.057 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000481742610 485003564 /nfs/dbraw/zinc/00/35/64/485003564.db2.gz SRYQYURYTKBDJW-IIAWOOMASA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000481742611 485003526 /nfs/dbraw/zinc/00/35/26/485003526.db2.gz SRYQYURYTKBDJW-IJEWVQPXSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CCO1 ZINC000481742612 485003605 /nfs/dbraw/zinc/00/36/05/485003605.db2.gz SRYQYURYTKBDJW-OFQRWUPVSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CCO1 ZINC000481742613 485002827 /nfs/dbraw/zinc/00/28/27/485002827.db2.gz SRYQYURYTKBDJW-SQWLQELKSA-N 0 3 368.478 -0.414 20 0 FBADHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(CCO)c(=O)[nH]c2=O)C1 ZINC000481752693 485003635 /nfs/dbraw/zinc/00/36/35/485003635.db2.gz FNMPJKJRMQSNQL-DZGCQCFKSA-N 0 3 358.398 -0.231 20 0 FBADHN CN1C[C@H](NC(=O)c2cn(CCO)c(=O)[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000481752775 485002879 /nfs/dbraw/zinc/00/28/79/485002879.db2.gz FNMPJKJRMQSNQL-HIFRSBDPSA-N 0 3 358.398 -0.231 20 0 FBADHN CN1C[C@@H](NC(=O)c2cn(CCO)c(=O)[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000481752777 485002782 /nfs/dbraw/zinc/00/27/82/485002782.db2.gz FNMPJKJRMQSNQL-UKRRQHHQSA-N 0 3 358.398 -0.231 20 0 FBADHN CN1C[C@H](NC(=O)c2cn(CCO)c(=O)[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000481752779 485003228 /nfs/dbraw/zinc/00/32/28/485003228.db2.gz FNMPJKJRMQSNQL-ZFWWWQNUSA-N 0 3 358.398 -0.231 20 0 FBADHN Cc1cc(N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)n2ncnc2n1 ZINC000481767796 485004587 /nfs/dbraw/zinc/00/45/87/485004587.db2.gz GHOJHXLCNGVHAL-HNNXBMFYSA-N 0 3 370.461 -0.529 20 0 FBADHN Cc1cc(N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)n2ncnc2n1 ZINC000481767802 485004936 /nfs/dbraw/zinc/00/49/36/485004936.db2.gz GHOJHXLCNGVHAL-OAHLLOKOSA-N 0 3 370.461 -0.529 20 0 FBADHN CN(C)[C@]1(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)CCSC1 ZINC000481791924 485004289 /nfs/dbraw/zinc/00/42/89/485004289.db2.gz CYYOXUPSSNTPFL-CVEARBPZSA-N 0 3 360.524 -0.194 20 0 FBADHN CN(C)[C@]1(CNC(=O)NC[C@](C)(O)CN2CCOCC2)CCSC1 ZINC000481791926 485004254 /nfs/dbraw/zinc/00/42/54/485004254.db2.gz CYYOXUPSSNTPFL-HOTGVXAUSA-N 0 3 360.524 -0.194 20 0 FBADHN CN(C)[C@@]1(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)CCSC1 ZINC000481791928 485004450 /nfs/dbraw/zinc/00/44/50/485004450.db2.gz CYYOXUPSSNTPFL-HZPDHXFCSA-N 0 3 360.524 -0.194 20 0 FBADHN CN(C)[C@@]1(CNC(=O)NC[C@](C)(O)CN2CCOCC2)CCSC1 ZINC000481791930 485004823 /nfs/dbraw/zinc/00/48/23/485004823.db2.gz CYYOXUPSSNTPFL-JKSUJKDBSA-N 0 3 360.524 -0.194 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000481800198 485004738 /nfs/dbraw/zinc/00/47/38/485004738.db2.gz LMICPUKTAULTOP-CABCVRRESA-N 0 3 368.478 -0.460 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000481800203 485005098 /nfs/dbraw/zinc/00/50/98/485005098.db2.gz LMICPUKTAULTOP-GJZGRUSLSA-N 0 3 368.478 -0.460 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000481800204 485004525 /nfs/dbraw/zinc/00/45/25/485004525.db2.gz LMICPUKTAULTOP-HUUCEWRRSA-N 0 3 368.478 -0.460 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000481800205 485004145 /nfs/dbraw/zinc/00/41/45/485004145.db2.gz LMICPUKTAULTOP-LSDHHAIUSA-N 0 3 368.478 -0.460 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)CNC(=O)c2cccnc2)CC1 ZINC000481804184 485006073 /nfs/dbraw/zinc/00/60/73/485006073.db2.gz XQGVZMKDYRZYMH-UHFFFAOYSA-N 0 3 361.446 -0.130 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CCO1 ZINC000481831691 485006313 /nfs/dbraw/zinc/00/63/13/485006313.db2.gz VSVKLXFWUGAWGY-IHRRRGAJSA-N 0 3 354.451 -0.804 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000481831693 485006163 /nfs/dbraw/zinc/00/61/63/485006163.db2.gz VSVKLXFWUGAWGY-MCIONIFRSA-N 0 3 354.451 -0.804 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CCO1 ZINC000481831695 485006301 /nfs/dbraw/zinc/00/63/01/485006301.db2.gz VSVKLXFWUGAWGY-MJBXVCDLSA-N 0 3 354.451 -0.804 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000481831697 485005603 /nfs/dbraw/zinc/00/56/03/485005603.db2.gz VSVKLXFWUGAWGY-RDBSUJKOSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000481851845 485006380 /nfs/dbraw/zinc/00/63/80/485006380.db2.gz GKWJLSHEGLKPCA-KBPBESRZSA-N 0 3 355.483 -0.047 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000481851846 485006391 /nfs/dbraw/zinc/00/63/91/485006391.db2.gz GKWJLSHEGLKPCA-KGLIPLIRSA-N 0 3 355.483 -0.047 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000481851847 485005909 /nfs/dbraw/zinc/00/59/09/485005909.db2.gz GKWJLSHEGLKPCA-UONOGXRCSA-N 0 3 355.483 -0.047 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000481851848 485006101 /nfs/dbraw/zinc/00/61/01/485006101.db2.gz GKWJLSHEGLKPCA-ZIAGYGMSSA-N 0 3 355.483 -0.047 20 0 FBADHN Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)CC(=O)N1C ZINC000481855540 485005886 /nfs/dbraw/zinc/00/58/86/485005886.db2.gz KXFWTRLGOVASJE-GRDNDAEWSA-N 0 3 363.462 -0.098 20 0 FBADHN Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC(=O)N1C ZINC000481855541 485006407 /nfs/dbraw/zinc/00/64/07/485006407.db2.gz KXFWTRLGOVASJE-JKIFEVAISA-N 0 3 363.462 -0.098 20 0 FBADHN Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC(=O)N1C ZINC000481855542 485006364 /nfs/dbraw/zinc/00/63/64/485006364.db2.gz KXFWTRLGOVASJE-KEYYUXOJSA-N 0 3 363.462 -0.098 20 0 FBADHN Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)CC(=O)N1C ZINC000481855543 485006472 /nfs/dbraw/zinc/00/64/72/485006472.db2.gz KXFWTRLGOVASJE-ZQIUZPCESA-N 0 3 363.462 -0.098 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000481856085 485006179 /nfs/dbraw/zinc/00/61/79/485006179.db2.gz XMKZYDWVSNUKFJ-BFHYXJOUSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000481856086 485005670 /nfs/dbraw/zinc/00/56/70/485005670.db2.gz XMKZYDWVSNUKFJ-HZSPNIEDSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000481856087 485006342 /nfs/dbraw/zinc/00/63/42/485006342.db2.gz XMKZYDWVSNUKFJ-MELADBBJSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000481856088 485006285 /nfs/dbraw/zinc/00/62/85/485006285.db2.gz XMKZYDWVSNUKFJ-MGPQQGTHSA-N 0 3 353.467 -0.247 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000481879412 485007210 /nfs/dbraw/zinc/00/72/10/485007210.db2.gz OTHNGSZZDYIXMP-AGIUHOORSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000481879416 485007786 /nfs/dbraw/zinc/00/77/86/485007786.db2.gz OTHNGSZZDYIXMP-FRRDWIJNSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000481879418 485007447 /nfs/dbraw/zinc/00/74/47/485007447.db2.gz OTHNGSZZDYIXMP-JHJVBQTASA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000481879419 485007721 /nfs/dbraw/zinc/00/77/21/485007721.db2.gz OTHNGSZZDYIXMP-UPJWGTAASA-N 0 3 360.480 -0.888 20 0 FBADHN COC(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)n1C ZINC000481996296 485009242 /nfs/dbraw/zinc/00/92/42/485009242.db2.gz CVGUYXZTEGIIBH-UHFFFAOYSA-N 0 3 366.462 -0.068 20 0 FBADHN COC(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)[nH]1 ZINC000482001048 485009081 /nfs/dbraw/zinc/00/90/81/485009081.db2.gz WFKVWQNYHWYFOU-UHFFFAOYSA-N 0 3 352.435 -0.079 20 0 FBADHN COC(=O)c1cc(C(=O)NCCCCN2CCN(CCO)CC2)cn1C ZINC000482015667 485008845 /nfs/dbraw/zinc/00/88/45/485008845.db2.gz MADDDKWREJVIOD-UHFFFAOYSA-N 0 3 366.462 -0.068 20 0 FBADHN COC(=O)c1cc(C(=O)NCCCCN2CCN(CCO)CC2)c[nH]1 ZINC000482016308 485008804 /nfs/dbraw/zinc/00/88/04/485008804.db2.gz OHDIELKYIYJFPA-UHFFFAOYSA-N 0 3 352.435 -0.079 20 0 FBADHN COCCN(CC(=O)N(C)C)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000482173784 485011410 /nfs/dbraw/zinc/01/14/10/485011410.db2.gz BOHFCCLJAFMVOL-GFCCVEGCSA-N 0 3 364.464 -0.468 20 0 FBADHN COCCN(CC(=O)N(C)C)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000482173785 485011136 /nfs/dbraw/zinc/01/11/36/485011136.db2.gz BOHFCCLJAFMVOL-LBPRGKRZSA-N 0 3 364.464 -0.468 20 0 FBADHN COc1cccc(CN(CCN(C)C)C(=O)CNC(=O)CNC(C)=O)c1 ZINC000482344458 485014707 /nfs/dbraw/zinc/01/47/07/485014707.db2.gz OBAYHIZZEDAJIH-UHFFFAOYSA-N 0 3 364.446 -0.162 20 0 FBADHN COc1cccc(CN(CCN(C)C)C(=O)C[C@H](NC(C)=O)C(N)=O)c1 ZINC000482355678 485016374 /nfs/dbraw/zinc/01/63/74/485016374.db2.gz GOZVMMOKZPDMNO-INIZCTEOSA-N 0 3 364.446 -0.035 20 0 FBADHN COc1cccc(CN(CCN(C)C)C(=O)c2cn(CC(N)=O)nn2)c1 ZINC000482371427 485016414 /nfs/dbraw/zinc/01/64/14/485016414.db2.gz XGWYFRCACXMTJJ-UHFFFAOYSA-N 0 3 360.418 -0.024 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2cccnc2)cn1 ZINC000482380530 485016443 /nfs/dbraw/zinc/01/64/43/485016443.db2.gz UMRKKINBNVQYCX-UHFFFAOYSA-N 0 3 373.417 -0.676 20 0 FBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCCO)cc21 ZINC000482529651 485017520 /nfs/dbraw/zinc/01/75/20/485017520.db2.gz HNJJSOZYYWBAHP-UHFFFAOYSA-N 0 3 350.375 -0.407 20 0 FBADHN COCCN1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)C1 ZINC000482533573 485017297 /nfs/dbraw/zinc/01/72/97/485017297.db2.gz PVTKUFQGTFUIEW-LLVKDONJSA-N 0 3 364.493 -0.254 20 0 FBADHN COCCN1CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)C1 ZINC000482533580 485017594 /nfs/dbraw/zinc/01/75/94/485017594.db2.gz PVTKUFQGTFUIEW-NSHDSACASA-N 0 3 364.493 -0.254 20 0 FBADHN C[C@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000482546616 485017808 /nfs/dbraw/zinc/01/78/08/485017808.db2.gz AIBYRHMQUHLWOU-SNVBAGLBSA-N 0 3 350.375 -0.408 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000482584558 485017339 /nfs/dbraw/zinc/01/73/39/485017339.db2.gz ZCDUPHRAWBHJCD-UHFFFAOYSA-N 0 3 361.446 -0.214 20 0 FBADHN C[C@H](O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000482603755 485018957 /nfs/dbraw/zinc/01/89/57/485018957.db2.gz JDVTZOJGVQEZHW-JTQLQIEISA-N 0 3 350.375 -0.408 20 0 FBADHN C[C@@H](O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000482603756 485018878 /nfs/dbraw/zinc/01/88/78/485018878.db2.gz JDVTZOJGVQEZHW-SNVBAGLBSA-N 0 3 350.375 -0.408 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cnn(C)c1 ZINC000482639437 485018615 /nfs/dbraw/zinc/01/86/15/485018615.db2.gz VMEOWVZWDWRHNZ-AWEZNQCLSA-N 0 3 364.450 -0.905 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cnn(C)c1 ZINC000482639438 485019428 /nfs/dbraw/zinc/01/94/28/485019428.db2.gz VMEOWVZWDWRHNZ-CQSZACIVSA-N 0 3 364.450 -0.905 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2cnn(C)c2)CCN1C1CCN(C)CC1 ZINC000482647894 485019097 /nfs/dbraw/zinc/01/90/97/485019097.db2.gz JYHDHLACHNUQIJ-AWEZNQCLSA-N 0 3 362.478 -0.337 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2cnn(C)c2)CCN1C1CCN(C)CC1 ZINC000482647895 485018288 /nfs/dbraw/zinc/01/82/88/485018288.db2.gz JYHDHLACHNUQIJ-CQSZACIVSA-N 0 3 362.478 -0.337 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)NCc2cnn(C)c2)ccn1 ZINC000482650786 485019189 /nfs/dbraw/zinc/01/91/89/485019189.db2.gz TZCVPIOYZAHOMF-UHFFFAOYSA-N 0 3 360.418 -0.312 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000482674084 485019207 /nfs/dbraw/zinc/01/92/07/485019207.db2.gz OIODGRHBZXIRFN-UHFFFAOYSA-N 0 3 364.512 -0.075 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2cnn(C)c2)CC1 ZINC000482705567 485020601 /nfs/dbraw/zinc/02/06/01/485020601.db2.gz LTMXULBSWOLUHX-UHFFFAOYSA-N 0 3 358.402 -0.211 20 0 FBADHN Cn1cc(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000482816892 485022481 /nfs/dbraw/zinc/02/24/81/485022481.db2.gz KKNMQNMCABRCAU-KRWDZBQOSA-N 0 3 371.441 -0.081 20 0 FBADHN Cn1cc(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cn1 ZINC000482816893 485022215 /nfs/dbraw/zinc/02/22/15/485022215.db2.gz KKNMQNMCABRCAU-QGZVFWFLSA-N 0 3 371.441 -0.081 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCc2cccnn2)CCN1C1CCN(C)CC1 ZINC000482830911 485021893 /nfs/dbraw/zinc/02/18/93/485021893.db2.gz VJWJNNZFKHMWET-AWEZNQCLSA-N 0 3 360.462 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccnn2)CCN1C1CCN(C)CC1 ZINC000482830913 485022409 /nfs/dbraw/zinc/02/24/09/485022409.db2.gz VJWJNNZFKHMWET-CQSZACIVSA-N 0 3 360.462 -0.280 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2cccnn2)CC1 ZINC000482847106 485024179 /nfs/dbraw/zinc/02/41/79/485024179.db2.gz GVVWYIFDMJQSJH-UHFFFAOYSA-N 0 3 356.386 -0.155 20 0 FBADHN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)n[nH]1 ZINC000482886248 485023919 /nfs/dbraw/zinc/02/39/19/485023919.db2.gz ZWNXELXHWBOQTB-DZGCQCFKSA-N 0 3 363.462 -0.054 20 0 FBADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)n[nH]1 ZINC000482886252 485023664 /nfs/dbraw/zinc/02/36/64/485023664.db2.gz ZWNXELXHWBOQTB-HIFRSBDPSA-N 0 3 363.462 -0.054 20 0 FBADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)n[nH]1 ZINC000482886254 485023428 /nfs/dbraw/zinc/02/34/28/485023428.db2.gz ZWNXELXHWBOQTB-UKRRQHHQSA-N 0 3 363.462 -0.054 20 0 FBADHN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)n[nH]1 ZINC000482886256 485023152 /nfs/dbraw/zinc/02/31/52/485023152.db2.gz ZWNXELXHWBOQTB-ZFWWWQNUSA-N 0 3 363.462 -0.054 20 0 FBADHN CC(C)C1(NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1 ZINC000482936048 485025732 /nfs/dbraw/zinc/02/57/32/485025732.db2.gz WXISVESDZLLVOW-UHFFFAOYSA-N 0 3 364.450 -0.196 20 0 FBADHN CN(CC(=O)N1CCN(C(=O)CN(C)CC(C)(C)O)CC1)CC(C)(C)O ZINC000482955624 485024946 /nfs/dbraw/zinc/02/49/46/485024946.db2.gz FRTMFKKDHNGFTG-UHFFFAOYSA-N 0 3 372.510 -0.937 20 0 FBADHN C[C@](O)(CNC(=O)NCCCCN1CCN(CCO)CC1)C(F)(F)F ZINC000483048324 485028086 /nfs/dbraw/zinc/02/80/86/485028086.db2.gz HPRMEPZMHVWECN-AWEZNQCLSA-N 0 3 370.416 -0.011 20 0 FBADHN C[C@@](O)(CNC(=O)NCCCCN1CCN(CCO)CC1)C(F)(F)F ZINC000483048325 485028281 /nfs/dbraw/zinc/02/82/81/485028281.db2.gz HPRMEPZMHVWECN-CQSZACIVSA-N 0 3 370.416 -0.011 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483061325 485028629 /nfs/dbraw/zinc/02/86/29/485028629.db2.gz VGJHTFLAUGRTIF-GFCCVEGCSA-N 0 3 351.407 -0.374 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483061327 485028055 /nfs/dbraw/zinc/02/80/55/485028055.db2.gz VGJHTFLAUGRTIF-LBPRGKRZSA-N 0 3 351.407 -0.374 20 0 FBADHN C[C@@H](CO)N(CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC1CCC1 ZINC000483136128 485029380 /nfs/dbraw/zinc/02/93/80/485029380.db2.gz HRSRYFFDQLHRQR-HNNXBMFYSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H](CO)N(CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC1CCC1 ZINC000483136129 485030103 /nfs/dbraw/zinc/03/01/03/485030103.db2.gz HRSRYFFDQLHRQR-OAHLLOKOSA-N 0 3 354.495 -0.298 20 0 FBADHN NC(=O)c1cc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)on1 ZINC000483137753 485029416 /nfs/dbraw/zinc/02/94/16/485029416.db2.gz UYFSBKXXIWQYND-GFCCVEGCSA-N 0 3 363.418 -0.230 20 0 FBADHN NC(=O)c1cc(CNC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)on1 ZINC000483137754 485030408 /nfs/dbraw/zinc/03/04/08/485030408.db2.gz UYFSBKXXIWQYND-LBPRGKRZSA-N 0 3 363.418 -0.230 20 0 FBADHN C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483164522 485031985 /nfs/dbraw/zinc/03/19/85/485031985.db2.gz OBLCZFLBEJMIKH-LLVKDONJSA-N 0 3 351.407 -0.230 20 0 FBADHN C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483164523 485032184 /nfs/dbraw/zinc/03/21/84/485032184.db2.gz OBLCZFLBEJMIKH-NSHDSACASA-N 0 3 351.407 -0.230 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483168030 485032023 /nfs/dbraw/zinc/03/20/23/485032023.db2.gz QUBXPQJTHMHIKV-UHFFFAOYSA-N 0 3 363.374 -0.427 20 0 FBADHN COc1cnccc1N1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000483196118 485033136 /nfs/dbraw/zinc/03/31/36/485033136.db2.gz CKVFEAOHDUHTBV-AWEZNQCLSA-N 0 3 361.446 -0.064 20 0 FBADHN COc1cnccc1N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000483196132 485033283 /nfs/dbraw/zinc/03/32/83/485033283.db2.gz CKVFEAOHDUHTBV-CQSZACIVSA-N 0 3 361.446 -0.064 20 0 FBADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483196512 485033821 /nfs/dbraw/zinc/03/38/21/485033821.db2.gz VOYHIRIQGIZSCA-GHMZBOCLSA-N 0 3 351.407 -0.231 20 0 FBADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483196515 485033592 /nfs/dbraw/zinc/03/35/92/485033592.db2.gz VOYHIRIQGIZSCA-PHIMTYICSA-N 0 3 351.407 -0.231 20 0 FBADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000483196518 485032985 /nfs/dbraw/zinc/03/29/85/485032985.db2.gz VOYHIRIQGIZSCA-QWRGUYRKSA-N 0 3 351.407 -0.231 20 0 FBADHN Cc1nnc(CN(C)CC(=O)NC[C@H](O)CN2CCC(C)CC2)n1C ZINC000483198154 485033218 /nfs/dbraw/zinc/03/32/18/485033218.db2.gz MRNVVYJKZNUMST-HNNXBMFYSA-N 0 3 352.483 -0.236 20 0 FBADHN Cc1nnc(CN(C)CC(=O)NC[C@@H](O)CN2CCC(C)CC2)n1C ZINC000483198160 485032650 /nfs/dbraw/zinc/03/26/50/485032650.db2.gz MRNVVYJKZNUMST-OAHLLOKOSA-N 0 3 352.483 -0.236 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(=O)NCC(F)F ZINC000483241539 485035417 /nfs/dbraw/zinc/03/54/17/485035417.db2.gz IWRMRTUUCNFVHX-LLVKDONJSA-N 0 3 363.409 -0.390 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(=O)NCC(F)F ZINC000483241541 485034845 /nfs/dbraw/zinc/03/48/45/485034845.db2.gz IWRMRTUUCNFVHX-NSHDSACASA-N 0 3 363.409 -0.390 20 0 FBADHN C[C@]1(C(N)=O)CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000483266244 485035857 /nfs/dbraw/zinc/03/58/57/485035857.db2.gz VKGDDZLEKDIPHH-INIZCTEOSA-N 0 3 368.459 -0.810 20 0 FBADHN C[C@@]1(C(N)=O)CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000483266249 485035439 /nfs/dbraw/zinc/03/54/39/485035439.db2.gz VKGDDZLEKDIPHH-MRXNPFEDSA-N 0 3 368.459 -0.810 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000483273498 485035405 /nfs/dbraw/zinc/03/54/05/485035405.db2.gz ZCHVCWQSQBITPU-GOSISDBHSA-N 0 3 367.494 -0.757 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@](C)(C(N)=O)C2)CC1 ZINC000483273503 485034697 /nfs/dbraw/zinc/03/46/97/485034697.db2.gz ZCHVCWQSQBITPU-SFHVURJKSA-N 0 3 367.494 -0.757 20 0 FBADHN CC(C)N(CCCNC(=O)CN1CC[C@](C)(C(N)=O)C1)S(C)(=O)=O ZINC000483273888 485035501 /nfs/dbraw/zinc/03/55/01/485035501.db2.gz ZQHDYNNXDZNDEH-HNNXBMFYSA-N 0 3 362.496 -0.640 20 0 FBADHN CC(C)N(CCCNC(=O)CN1CC[C@@](C)(C(N)=O)C1)S(C)(=O)=O ZINC000483273894 485035187 /nfs/dbraw/zinc/03/51/87/485035187.db2.gz ZQHDYNNXDZNDEH-OAHLLOKOSA-N 0 3 362.496 -0.640 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN(CCO)[C@H]2CCO[C@H]2C)C1 ZINC000483279522 485035787 /nfs/dbraw/zinc/03/57/87/485035787.db2.gz MUMBTMYRQXLFNJ-BBWFWOEESA-N 0 3 357.495 -0.069 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN(CCO)[C@@H]2CCO[C@@H]2C)C1 ZINC000483279523 485035325 /nfs/dbraw/zinc/03/53/25/485035325.db2.gz MUMBTMYRQXLFNJ-BRWVUGGUSA-N 0 3 357.495 -0.069 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN(CCO)[C@@H]2CCO[C@H]2C)C1 ZINC000483279525 485035967 /nfs/dbraw/zinc/03/59/67/485035967.db2.gz MUMBTMYRQXLFNJ-GVDBMIGSSA-N 0 3 357.495 -0.069 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN(CCO)[C@H]2CCO[C@@H]2C)C1 ZINC000483279527 485035277 /nfs/dbraw/zinc/03/52/77/485035277.db2.gz MUMBTMYRQXLFNJ-ZACQAIPSSA-N 0 3 357.495 -0.069 20 0 FBADHN C[C@H]1OCC[C@H]1N(CCO)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000483284346 485034991 /nfs/dbraw/zinc/03/49/91/485034991.db2.gz KJVBHCIZUCGMQQ-CHWSQXEVSA-N 0 3 365.434 -0.705 20 0 FBADHN C[C@H]1OCC[C@@H]1N(CCO)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000483284350 485034893 /nfs/dbraw/zinc/03/48/93/485034893.db2.gz KJVBHCIZUCGMQQ-OLZOCXBDSA-N 0 3 365.434 -0.705 20 0 FBADHN C[C@@H]1OCC[C@H]1N(CCO)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000483284353 485035676 /nfs/dbraw/zinc/03/56/76/485035676.db2.gz KJVBHCIZUCGMQQ-QWHCGFSZSA-N 0 3 365.434 -0.705 20 0 FBADHN C[C@@H]1OCC[C@@H]1N(CCO)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000483284354 485035232 /nfs/dbraw/zinc/03/52/32/485035232.db2.gz KJVBHCIZUCGMQQ-STQMWFEESA-N 0 3 365.434 -0.705 20 0 FBADHN C[C@H]1OCC[C@@H]1N(CCO)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000483298733 485036890 /nfs/dbraw/zinc/03/68/90/485036890.db2.gz SHCOQEVTHMASKP-CVEARBPZSA-N 0 3 363.462 -0.013 20 0 FBADHN C[C@@H]1OCC[C@@H]1N(CCO)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000483298784 485037913 /nfs/dbraw/zinc/03/79/13/485037913.db2.gz SHCOQEVTHMASKP-HOTGVXAUSA-N 0 3 363.462 -0.013 20 0 FBADHN C[C@H]1OCC[C@H]1N(CCO)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000483298785 485036650 /nfs/dbraw/zinc/03/66/50/485036650.db2.gz SHCOQEVTHMASKP-HZPDHXFCSA-N 0 3 363.462 -0.013 20 0 FBADHN C[C@@H]1OCC[C@H]1N(CCO)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000483298786 485036874 /nfs/dbraw/zinc/03/68/74/485036874.db2.gz SHCOQEVTHMASKP-JKSUJKDBSA-N 0 3 363.462 -0.013 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000483510550 485041929 /nfs/dbraw/zinc/04/19/29/485041929.db2.gz ZFKMFBWEQRNBLY-AWEZNQCLSA-N 0 3 354.451 -0.754 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000483510551 485042231 /nfs/dbraw/zinc/04/22/31/485042231.db2.gz ZFKMFBWEQRNBLY-CQSZACIVSA-N 0 3 354.451 -0.754 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)N(C)C ZINC000483557484 485043285 /nfs/dbraw/zinc/04/32/85/485043285.db2.gz WNJMXFLESUCVAY-LLVKDONJSA-N 0 3 362.386 -0.419 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)N(C)C ZINC000483557491 485043339 /nfs/dbraw/zinc/04/33/39/485043339.db2.gz WNJMXFLESUCVAY-NSHDSACASA-N 0 3 362.386 -0.419 20 0 FBADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000483575115 485043556 /nfs/dbraw/zinc/04/35/56/485043556.db2.gz NNZGGPJSMSUSFP-GFCCVEGCSA-N 0 3 366.393 -0.070 20 0 FBADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000483575129 485043457 /nfs/dbraw/zinc/04/34/57/485043457.db2.gz NNZGGPJSMSUSFP-LBPRGKRZSA-N 0 3 366.393 -0.070 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1OC ZINC000483580912 485044481 /nfs/dbraw/zinc/04/44/81/485044481.db2.gz IJITUERBDFXFGY-LLVKDONJSA-N 0 3 353.375 -0.541 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1OC ZINC000483580913 485044637 /nfs/dbraw/zinc/04/46/37/485044637.db2.gz IJITUERBDFXFGY-NSHDSACASA-N 0 3 353.375 -0.541 20 0 FBADHN CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 ZINC000483582017 485044298 /nfs/dbraw/zinc/04/42/98/485044298.db2.gz KDMGCTPWHVMPCV-AWEZNQCLSA-N 0 3 365.434 -0.171 20 0 FBADHN CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 ZINC000483582018 485044415 /nfs/dbraw/zinc/04/44/15/485044415.db2.gz KDMGCTPWHVMPCV-CQSZACIVSA-N 0 3 365.434 -0.171 20 0 FBADHN COC(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1F ZINC000483583298 485044316 /nfs/dbraw/zinc/04/43/16/485044316.db2.gz NLNKBQDJKNYYGT-SECBINFHSA-N 0 3 359.329 -0.271 20 0 FBADHN COC(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1F ZINC000483583299 485043692 /nfs/dbraw/zinc/04/36/92/485043692.db2.gz NLNKBQDJKNYYGT-VIFPVBQESA-N 0 3 359.329 -0.271 20 0 FBADHN Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1C ZINC000483584732 485043325 /nfs/dbraw/zinc/04/33/25/485043325.db2.gz RFCDUHMEYSEOEJ-GFCCVEGCSA-N 0 3 371.459 -0.316 20 0 FBADHN Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1C ZINC000483584741 485043355 /nfs/dbraw/zinc/04/33/55/485043355.db2.gz RFCDUHMEYSEOEJ-LBPRGKRZSA-N 0 3 371.459 -0.316 20 0 FBADHN Cc1cn(-c2cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c2)c(=O)[nH]1 ZINC000483585545 485044343 /nfs/dbraw/zinc/04/43/43/485044343.db2.gz CMCAYJHLFBBBKC-AWEZNQCLSA-N 0 3 361.402 -0.136 20 0 FBADHN Cc1cn(-c2cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c2)c(=O)[nH]1 ZINC000483585548 485044689 /nfs/dbraw/zinc/04/46/89/485044689.db2.gz CMCAYJHLFBBBKC-CQSZACIVSA-N 0 3 361.402 -0.136 20 0 FBADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1C(N)=O ZINC000483586875 485044397 /nfs/dbraw/zinc/04/43/97/485044397.db2.gz WIWNPWYCMCWEBA-GFCCVEGCSA-N 0 3 366.418 -0.450 20 0 FBADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1C(N)=O ZINC000483586876 485043778 /nfs/dbraw/zinc/04/37/78/485043778.db2.gz WIWNPWYCMCWEBA-LBPRGKRZSA-N 0 3 366.418 -0.450 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c(OC)c(C)c1OC ZINC000483599000 485044760 /nfs/dbraw/zinc/04/47/60/485044760.db2.gz ZPDSVGCSEKNVCJ-LLVKDONJSA-N 0 3 369.418 -0.002 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c(OC)c(C)c1OC ZINC000483599001 485043108 /nfs/dbraw/zinc/04/31/08/485043108.db2.gz ZPDSVGCSEKNVCJ-NSHDSACASA-N 0 3 369.418 -0.002 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000483631039 485045360 /nfs/dbraw/zinc/04/53/60/485045360.db2.gz ACODISJPOJABGA-HNNXBMFYSA-N 0 3 353.423 -0.783 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000483631041 485045273 /nfs/dbraw/zinc/04/52/73/485045273.db2.gz ACODISJPOJABGA-OAHLLOKOSA-N 0 3 353.423 -0.783 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000483631935 485045540 /nfs/dbraw/zinc/04/55/40/485045540.db2.gz CFXWIHLWXSTFIT-HNNXBMFYSA-N 0 3 355.439 -0.537 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000483632009 485046330 /nfs/dbraw/zinc/04/63/30/485046330.db2.gz CFXWIHLWXSTFIT-OAHLLOKOSA-N 0 3 355.439 -0.537 20 0 FBADHN CCN(CCO)CCNC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000483637402 485045885 /nfs/dbraw/zinc/04/58/85/485045885.db2.gz OWIUWMYXADUNBW-UHFFFAOYSA-N 0 3 355.439 -0.536 20 0 FBADHN CN1CCC(O)(CNC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000483651640 485046183 /nfs/dbraw/zinc/04/61/83/485046183.db2.gz JUHHIFBBBXGXNC-UHFFFAOYSA-N 0 3 367.450 -0.393 20 0 FBADHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C1 ZINC000483811219 485049252 /nfs/dbraw/zinc/04/92/52/485049252.db2.gz WKZHQXRJPVLZFL-AWEZNQCLSA-N 0 3 374.397 -0.323 20 0 FBADHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C1 ZINC000483811220 485049380 /nfs/dbraw/zinc/04/93/80/485049380.db2.gz WKZHQXRJPVLZFL-CQSZACIVSA-N 0 3 374.397 -0.323 20 0 FBADHN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000483838088 485048621 /nfs/dbraw/zinc/04/86/21/485048621.db2.gz 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CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000486448401 485108908 /nfs/dbraw/zinc/10/89/08/485108908.db2.gz HJHRNADQAMMISI-HUUCEWRRSA-N 0 3 358.508 -0.446 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000486448403 485109207 /nfs/dbraw/zinc/10/92/07/485109207.db2.gz HJHRNADQAMMISI-LSDHHAIUSA-N 0 3 358.508 -0.446 20 0 FBADHN O=C(CN1CCC[C@H](N2CCNCC2=O)C1)NC1CCN(C2CC2)CC1 ZINC000486452008 485108044 /nfs/dbraw/zinc/10/80/44/485108044.db2.gz PQDUUISQCWOKQQ-KRWDZBQOSA-N 0 3 363.506 -0.374 20 0 FBADHN O=C(CN1CCC[C@@H](N2CCNCC2=O)C1)NC1CCN(C2CC2)CC1 ZINC000486452009 485108240 /nfs/dbraw/zinc/10/82/40/485108240.db2.gz PQDUUISQCWOKQQ-QGZVFWFLSA-N 0 3 363.506 -0.374 20 0 FBADHN COc1cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1OCC[NH+](C)C ZINC000486535276 485110175 /nfs/dbraw/zinc/11/01/75/485110175.db2.gz NOALPEYDQPMHQO-LBPRGKRZSA-N 0 3 364.402 -0.150 20 0 FBADHN CN(C)[C@]1(CNC(=O)Cc2cc(S(N)(=O)=O)cn2C)CCSC1 ZINC000486579346 485111411 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CCN1CCN(C[C@@H](C)CNS(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000487109021 485122712 /nfs/dbraw/zinc/12/27/12/485122712.db2.gz AGANGZGERAKVME-AWEZNQCLSA-N 0 3 364.512 -0.411 20 0 FBADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000487109022 485122602 /nfs/dbraw/zinc/12/26/02/485122602.db2.gz AGANGZGERAKVME-CQSZACIVSA-N 0 3 364.512 -0.411 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487170010 485123122 /nfs/dbraw/zinc/12/31/22/485123122.db2.gz VSOONRILDWPFMP-CYBMUJFWSA-N 0 3 361.464 -0.492 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487170011 485123454 /nfs/dbraw/zinc/12/34/54/485123454.db2.gz VSOONRILDWPFMP-ZDUSSCGKSA-N 0 3 361.464 -0.492 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000487230205 485124128 /nfs/dbraw/zinc/12/41/28/485124128.db2.gz ATBPIEMEXICGGJ-UHFFFAOYSA-N 0 3 362.496 -0.673 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 ZINC000487320206 485125772 /nfs/dbraw/zinc/12/57/72/485125772.db2.gz 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Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1C ZINC000487442299 485127451 /nfs/dbraw/zinc/12/74/51/485127451.db2.gz VFRWAGCBZGKXQP-OLZOCXBDSA-N 0 3 357.480 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cn1C ZINC000487442300 485127704 /nfs/dbraw/zinc/12/77/04/485127704.db2.gz VFRWAGCBZGKXQP-QWHCGFSZSA-N 0 3 357.480 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1C ZINC000487442301 485127831 /nfs/dbraw/zinc/12/78/31/485127831.db2.gz VFRWAGCBZGKXQP-STQMWFEESA-N 0 3 357.480 -0.004 20 0 FBADHN CO[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1OC ZINC000487464597 485129197 /nfs/dbraw/zinc/12/91/97/485129197.db2.gz AIPXRYOKKARVEH-KFWWJZLASA-N 0 3 356.467 -0.016 20 0 FBADHN CO[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1OC ZINC000487464601 485128788 /nfs/dbraw/zinc/12/87/88/485128788.db2.gz AIPXRYOKKARVEH-RBSFLKMASA-N 0 3 356.467 -0.016 20 0 FBADHN CO[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1OC ZINC000487464602 485129188 /nfs/dbraw/zinc/12/91/88/485129188.db2.gz AIPXRYOKKARVEH-RRFJBIMHSA-N 0 3 356.467 -0.016 20 0 FBADHN CO[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1OC ZINC000487464608 485129040 /nfs/dbraw/zinc/12/90/40/485129040.db2.gz AIPXRYOKKARVEH-SOUVJXGZSA-N 0 3 356.467 -0.016 20 0 FBADHN CO[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1OC ZINC000487472639 485128670 /nfs/dbraw/zinc/12/86/70/485128670.db2.gz KTIUMJVFMTYSLK-HOTGVXAUSA-N 0 3 358.483 -0.568 20 0 FBADHN CO[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1OC ZINC000487472640 485128543 /nfs/dbraw/zinc/12/85/43/485128543.db2.gz KTIUMJVFMTYSLK-HZPDHXFCSA-N 0 3 358.483 -0.568 20 0 FBADHN CO[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1OC ZINC000487472641 485129211 /nfs/dbraw/zinc/12/92/11/485129211.db2.gz KTIUMJVFMTYSLK-IYBDPMFKSA-N 0 3 358.483 -0.568 20 0 FBADHN CO[C@@H]1CN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[C@@H]1OC ZINC000487490420 485128753 /nfs/dbraw/zinc/12/87/53/485128753.db2.gz WWHCNWFLCYHZNA-GASCZTMLSA-N 0 3 356.467 -0.016 20 0 FBADHN 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485130399 /nfs/dbraw/zinc/13/03/99/485130399.db2.gz AYJDALSRPXVWBZ-UHFFFAOYSA-N 0 3 374.441 -0.069 20 0 FBADHN COc1cnccc1N1CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC1 ZINC000487601054 485130118 /nfs/dbraw/zinc/13/01/18/485130118.db2.gz DQKLNUUWIVVCFL-ZDUSSCGKSA-N 0 3 350.419 -0.128 20 0 FBADHN CSCC[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487651782 485131410 /nfs/dbraw/zinc/13/14/10/485131410.db2.gz ADTXXXCFYRXXQH-CYBMUJFWSA-N 0 3 371.507 -0.457 20 0 FBADHN CSCC[C@H](NC(N)=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487651786 485131279 /nfs/dbraw/zinc/13/12/79/485131279.db2.gz ADTXXXCFYRXXQH-ZDUSSCGKSA-N 0 3 371.507 -0.457 20 0 FBADHN NC(=O)NCCCCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487652515 485131152 /nfs/dbraw/zinc/13/11/52/485131152.db2.gz COKJNQJSVCCWNI-UHFFFAOYSA-N 0 3 353.467 -0.018 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)Cc2cc(S(N)(=O)=O)cn2C)CCCO1 ZINC000487653832 485131140 /nfs/dbraw/zinc/13/11/40/485131140.db2.gz LSSDGRQXRYFKHE-CYBMUJFWSA-N 0 3 372.491 -0.168 20 0 FBADHN C[C@H]1CN(CCCNC(=O)Cc2cc(S(N)(=O)=O)cn2C)CCCO1 ZINC000487653834 485130782 /nfs/dbraw/zinc/13/07/82/485130782.db2.gz LSSDGRQXRYFKHE-ZDUSSCGKSA-N 0 3 372.491 -0.168 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CC1CCN(C)CC1 ZINC000487667750 485132041 /nfs/dbraw/zinc/13/20/41/485132041.db2.gz PQLDDSNQLQGDBB-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000487685987 485132454 /nfs/dbraw/zinc/13/24/54/485132454.db2.gz QWIDZOJALUPPBI-UHFFFAOYSA-N 0 3 363.480 -0.295 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000487699827 485133301 /nfs/dbraw/zinc/13/33/01/485133301.db2.gz NTQZVONYOAYFQQ-CYBMUJFWSA-N 0 3 362.496 -0.673 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000487699828 485133420 /nfs/dbraw/zinc/13/34/20/485133420.db2.gz NTQZVONYOAYFQQ-ZDUSSCGKSA-N 0 3 362.496 -0.673 20 0 FBADHN CCC(CC)(CNCC(=O)N1CCN(CC(=O)N(C)C)CC1)C(=O)OC ZINC000487767108 485134378 /nfs/dbraw/zinc/13/43/78/485134378.db2.gz 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ZINC000487834176 485134111 /nfs/dbraw/zinc/13/41/11/485134111.db2.gz JBDJEBSEQOALGA-VIFPVBQESA-N 0 3 367.358 -0.821 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 ZINC000487864872 485135570 /nfs/dbraw/zinc/13/55/70/485135570.db2.gz XXXJBGRNAWUUPN-ZBFHGGJFSA-N 0 3 366.466 -0.164 20 0 FBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)NC[C@](C)(O)CN(C)C)cn1 ZINC000487866486 485135559 /nfs/dbraw/zinc/13/55/59/485135559.db2.gz BTXPYKOTRWFIAD-KMFMINBZSA-N 0 3 366.466 -0.166 20 0 FBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)NC[C@@](C)(O)CN(C)C)cn1 ZINC000487866488 485135209 /nfs/dbraw/zinc/13/52/09/485135209.db2.gz BTXPYKOTRWFIAD-UKPHBRMFSA-N 0 3 366.466 -0.166 20 0 FBADHN CC(C)[C@H]1CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1C ZINC000487970148 485136499 /nfs/dbraw/zinc/13/64/99/485136499.db2.gz JVROWLSETHHLNT-CHWSQXEVSA-N 0 3 360.480 -0.729 20 0 FBADHN CC(C)[C@@H]1CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1C ZINC000487970149 485136761 /nfs/dbraw/zinc/13/67/61/485136761.db2.gz JVROWLSETHHLNT-OLZOCXBDSA-N 0 3 360.480 -0.729 20 0 FBADHN CC(C)[C@H]1CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CCN1C ZINC000487970150 485136571 /nfs/dbraw/zinc/13/65/71/485136571.db2.gz JVROWLSETHHLNT-QWHCGFSZSA-N 0 3 360.480 -0.729 20 0 FBADHN CC(C)[C@@H]1CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CCN1C ZINC000487970151 485136606 /nfs/dbraw/zinc/13/66/06/485136606.db2.gz JVROWLSETHHLNT-STQMWFEESA-N 0 3 360.480 -0.729 20 0 FBADHN CC(C)[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CCN1C ZINC000487975444 485138012 /nfs/dbraw/zinc/13/80/12/485138012.db2.gz CBMTZEZBQXKDIX-INIZCTEOSA-N 0 3 353.511 -0.509 20 0 FBADHN CC(C)[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CCN1C ZINC000487975449 485137940 /nfs/dbraw/zinc/13/79/40/485137940.db2.gz CBMTZEZBQXKDIX-MRXNPFEDSA-N 0 3 353.511 -0.509 20 0 FBADHN COCCN1CCC(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000487992721 485137849 /nfs/dbraw/zinc/13/78/49/485137849.db2.gz VLLNNCRCSLVVSJ-AWEZNQCLSA-N 0 3 362.496 -0.228 20 0 FBADHN COCCN1CCC(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000487992722 485137682 /nfs/dbraw/zinc/13/76/82/485137682.db2.gz VLLNNCRCSLVVSJ-CQSZACIVSA-N 0 3 362.496 -0.228 20 0 FBADHN COC(=O)CC1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCOCC1 ZINC000488034853 485137763 /nfs/dbraw/zinc/13/77/63/485137763.db2.gz VDAVCHXKQUYJLH-CYBMUJFWSA-N 0 3 355.435 -0.375 20 0 FBADHN COC(=O)CC1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCOCC1 ZINC000488034854 485137892 /nfs/dbraw/zinc/13/78/92/485137892.db2.gz VDAVCHXKQUYJLH-ZDUSSCGKSA-N 0 3 355.435 -0.375 20 0 FBADHN CN(CC(=O)N1CCN(c2cnccn2)CC1)C1(CCO)CCOCC1 ZINC000488158897 485138789 /nfs/dbraw/zinc/13/87/89/485138789.db2.gz GRBCOMVCTJCOHE-UHFFFAOYSA-N 0 3 363.462 -0.011 20 0 FBADHN COCCSCCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000488221817 485139730 /nfs/dbraw/zinc/13/97/30/485139730.db2.gz WUAADSYEXAGSGM-KBPBESRZSA-N 0 3 352.522 -0.157 20 0 FBADHN COCCSCCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000488221818 485140421 /nfs/dbraw/zinc/14/04/21/485140421.db2.gz WUAADSYEXAGSGM-KGLIPLIRSA-N 0 3 352.522 -0.157 20 0 FBADHN COCCSCCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000488221819 485140188 /nfs/dbraw/zinc/14/01/88/485140188.db2.gz WUAADSYEXAGSGM-UONOGXRCSA-N 0 3 352.522 -0.157 20 0 FBADHN COCCSCCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000488221820 485140132 /nfs/dbraw/zinc/14/01/32/485140132.db2.gz WUAADSYEXAGSGM-ZIAGYGMSSA-N 0 3 352.522 -0.157 20 0 FBADHN CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cc(S(N)(=O)=O)cn2C)N(C)C1 ZINC000488313393 485142424 /nfs/dbraw/zinc/14/24/24/485142424.db2.gz MSNHQSBYGVGETH-STQMWFEESA-N 0 3 358.464 -0.608 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000488333287 485142283 /nfs/dbraw/zinc/14/22/83/485142283.db2.gz UMSBBGWTYROJRC-KBPBESRZSA-N 0 3 356.448 -0.854 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000488333288 485142139 /nfs/dbraw/zinc/14/21/39/485142139.db2.gz UMSBBGWTYROJRC-KGLIPLIRSA-N 0 3 356.448 -0.854 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000488333289 485141921 /nfs/dbraw/zinc/14/19/21/485141921.db2.gz UMSBBGWTYROJRC-UONOGXRCSA-N 0 3 356.448 -0.854 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000488333290 485142208 /nfs/dbraw/zinc/14/22/08/485142208.db2.gz UMSBBGWTYROJRC-ZIAGYGMSSA-N 0 3 356.448 -0.854 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000488356032 485142338 /nfs/dbraw/zinc/14/23/38/485142338.db2.gz MEZYGZWDCVFONP-UHFFFAOYSA-N 0 3 364.450 -0.811 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000488362521 485142294 /nfs/dbraw/zinc/14/22/94/485142294.db2.gz RJDICEQTXGAFOR-HNNXBMFYSA-N 0 3 363.462 -0.289 20 0 FBADHN COCCN(C)CCCNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000488377387 485142154 /nfs/dbraw/zinc/14/21/54/485142154.db2.gz GYVOPTBAONCCRA-CYBMUJFWSA-N 0 3 350.485 -0.370 20 0 FBADHN COCCN(C)CCCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000488377397 485142241 /nfs/dbraw/zinc/14/22/41/485142241.db2.gz GYVOPTBAONCCRA-ZDUSSCGKSA-N 0 3 350.485 -0.370 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000488391776 485143324 /nfs/dbraw/zinc/14/33/24/485143324.db2.gz PKRRLTJBJIYAQX-GFCCVEGCSA-N 0 3 360.418 -0.349 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000488391784 485143083 /nfs/dbraw/zinc/14/30/83/485143083.db2.gz PKRRLTJBJIYAQX-LBPRGKRZSA-N 0 3 360.418 -0.349 20 0 FBADHN CN(C)C(=O)CCN1CCC(Nc2ccc(C(=O)NCCO)nn2)CC1 ZINC000488398234 483777030 /nfs/dbraw/zinc/77/70/30/483777030.db2.gz OTOZWQIKPNSIAC-UHFFFAOYSA-N 0 3 364.450 -0.447 20 0 FBADHN COC(=O)C1CCN(CCCNc2ccc(C(=O)NCCO)nn2)CC1 ZINC000488401612 484240807 /nfs/dbraw/zinc/24/08/07/484240807.db2.gz WGRVNGTZNQBWDD-UHFFFAOYSA-N 0 3 365.434 -0.114 20 0 FBADHN COCC(=O)N1CCC(NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)CC1 ZINC000488408796 485142917 /nfs/dbraw/zinc/14/29/17/485142917.db2.gz IAIJVDWMTZHGFI-UKRRQHHQSA-N 0 3 356.467 -0.280 20 0 FBADHN CC(C)[C@H](CNc1ccc(C(=O)NCCO)nn1)N1CCN(C)CC1 ZINC000488435003 484226884 /nfs/dbraw/zinc/22/68/84/484226884.db2.gz QPBRVIZLRHWFAT-HNNXBMFYSA-N 0 3 350.467 -0.117 20 0 FBADHN CC(C)[C@@H](CNc1ccc(C(=O)NCCO)nn1)N1CCN(C)CC1 ZINC000488435004 484221878 /nfs/dbraw/zinc/22/18/78/484221878.db2.gz QPBRVIZLRHWFAT-OAHLLOKOSA-N 0 3 350.467 -0.117 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000488494707 485143298 /nfs/dbraw/zinc/14/32/98/485143298.db2.gz HMXVKUKQACQXHY-CHWSQXEVSA-N 0 3 350.485 -0.589 20 0 FBADHN Cn1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000488498041 485143032 /nfs/dbraw/zinc/14/30/32/485143032.db2.gz VVKYELHOPROASP-UHFFFAOYSA-N 0 3 361.446 -0.592 20 0 FBADHN COCCN1C(=O)C[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000488585626 485145036 /nfs/dbraw/zinc/14/50/36/485145036.db2.gz JFMBGJBDLPWKKZ-AWEZNQCLSA-N 0 3 352.435 -1.000 20 0 FBADHN COCCN1C(=O)C[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000488585636 485145488 /nfs/dbraw/zinc/14/54/88/485145488.db2.gz JFMBGJBDLPWKKZ-CQSZACIVSA-N 0 3 352.435 -1.000 20 0 FBADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCCNC(=O)c1cnccn1 ZINC000488593605 485145660 /nfs/dbraw/zinc/14/56/60/485145660.db2.gz GESXOCBBVKZBNE-TZMCWYRMSA-N 0 3 350.423 -0.697 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)O1 ZINC000488607690 485145702 /nfs/dbraw/zinc/14/57/02/485145702.db2.gz BQTGPBLQEPRYTR-KSZLIROESA-N 0 3 368.522 -0.304 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)O1 ZINC000488607692 485145306 /nfs/dbraw/zinc/14/53/06/485145306.db2.gz BQTGPBLQEPRYTR-KURKYZTESA-N 0 3 368.522 -0.304 20 0 FBADHN CCNC(=O)C1(CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CCC1 ZINC000488626531 484356133 /nfs/dbraw/zinc/35/61/33/484356133.db2.gz IGJSAKGAOBNZOM-UHFFFAOYSA-N 0 3 364.450 -0.194 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(CS(C)(=O)=O)CC2)n1 ZINC000488711258 485146898 /nfs/dbraw/zinc/14/68/98/485146898.db2.gz GYTMAKKELBUIKC-UHFFFAOYSA-N 0 3 372.495 -0.799 20 0 FBADHN C[C@H]1[C@@H](CO)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000488721148 485147622 /nfs/dbraw/zinc/14/76/22/485147622.db2.gz RINCFMBRQSHIGU-GXTWGEPZSA-N 0 3 355.460 -0.305 20 0 FBADHN C[C@H]1[C@H](CO)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000488721149 485147070 /nfs/dbraw/zinc/14/70/70/485147070.db2.gz RINCFMBRQSHIGU-JSGCOSHPSA-N 0 3 355.460 -0.305 20 0 FBADHN C[C@@H]1[C@H](CO)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000488721150 485147677 /nfs/dbraw/zinc/14/76/77/485147677.db2.gz RINCFMBRQSHIGU-OCCSQVGLSA-N 0 3 355.460 -0.305 20 0 FBADHN C[C@@H]1[C@@H](CO)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000488721151 485147698 /nfs/dbraw/zinc/14/76/98/485147698.db2.gz RINCFMBRQSHIGU-TZMCWYRMSA-N 0 3 355.460 -0.305 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)Cc2ccccc2C(N)=O)cn1 ZINC000488728084 485147826 /nfs/dbraw/zinc/14/78/26/485147826.db2.gz HMIVJMAOSIEYQX-UHFFFAOYSA-N 0 3 372.429 -0.159 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCc2nnc(C(C)C)s2)n1 ZINC000488729357 485147353 /nfs/dbraw/zinc/14/73/53/485147353.db2.gz GRTORZAUTBLGBC-UHFFFAOYSA-N 0 3 366.495 -0.009 20 0 FBADHN C[C@@H]1[C@H](CO)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000488736586 485147591 /nfs/dbraw/zinc/14/75/91/485147591.db2.gz VHOTWSJHLWYAGL-CABCVRRESA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H]1[C@H](CO)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000488736593 485146924 /nfs/dbraw/zinc/14/69/24/485146924.db2.gz VHOTWSJHLWYAGL-GJZGRUSLSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@@H]1[C@@H](CO)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000488736594 485147485 /nfs/dbraw/zinc/14/74/85/485147485.db2.gz VHOTWSJHLWYAGL-HUUCEWRRSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H]1[C@@H](CO)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000488736596 485147303 /nfs/dbraw/zinc/14/73/03/485147303.db2.gz VHOTWSJHLWYAGL-LSDHHAIUSA-N 0 3 354.495 -0.252 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)Cc2ccc(C(N)=O)cc2)cn1 ZINC000488736701 485147443 /nfs/dbraw/zinc/14/74/43/485147443.db2.gz VPDCWBZTSRZWRG-UHFFFAOYSA-N 0 3 372.429 -0.159 20 0 FBADHN CN(C)[C@@]1(CNC(=O)NCC2CN(S(C)(=O)=O)C2)CCSC1 ZINC000488746776 485146874 /nfs/dbraw/zinc/14/68/74/485146874.db2.gz NKKVGHKHFHGCIE-CYBMUJFWSA-N 0 3 350.510 -0.386 20 0 FBADHN CN(C)[C@]1(CNC(=O)NCC2CN(S(C)(=O)=O)C2)CCSC1 ZINC000488746777 483897503 /nfs/dbraw/zinc/89/75/03/483897503.db2.gz NKKVGHKHFHGCIE-ZDUSSCGKSA-N 0 3 350.510 -0.386 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2CF)cn1 ZINC000488760617 485147321 /nfs/dbraw/zinc/14/73/21/485147321.db2.gz NGXGXHGNFWYHLU-CYBMUJFWSA-N 0 3 368.413 -0.540 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2CF)cn1 ZINC000488760623 485147334 /nfs/dbraw/zinc/14/73/34/485147334.db2.gz NGXGXHGNFWYHLU-ZDUSSCGKSA-N 0 3 368.413 -0.540 20 0 FBADHN COC(=O)[C@H]1CCN(c2nc(NCCO)nc(NC(C)C)n2)[C@H]1C(C)C ZINC000488762422 485148499 /nfs/dbraw/zinc/14/84/99/485148499.db2.gz HKKNZSPBERAPTK-STQMWFEESA-N 0 3 366.466 -0.036 20 0 FBADHN C[C@H]1[C@H](CO)CCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000488768311 485148386 /nfs/dbraw/zinc/14/83/86/485148386.db2.gz QWWSEOAHECVKSF-KBPBESRZSA-N 0 3 373.461 -0.285 20 0 FBADHN C[C@@H]1[C@H](CO)CCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000488768318 485148584 /nfs/dbraw/zinc/14/85/84/485148584.db2.gz QWWSEOAHECVKSF-KGLIPLIRSA-N 0 3 373.461 -0.285 20 0 FBADHN C[C@H]1[C@@H](CO)CCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000488768321 485148458 /nfs/dbraw/zinc/14/84/58/485148458.db2.gz QWWSEOAHECVKSF-UONOGXRCSA-N 0 3 373.461 -0.285 20 0 FBADHN C[C@@H]1[C@@H](CO)CCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000488768324 485149022 /nfs/dbraw/zinc/14/90/22/485149022.db2.gz QWWSEOAHECVKSF-ZIAGYGMSSA-N 0 3 373.461 -0.285 20 0 FBADHN CCCCN(C)CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000488869380 485149879 /nfs/dbraw/zinc/14/98/79/485149879.db2.gz VMOGHFJGJLUSDN-UHFFFAOYSA-N 0 3 364.450 -0.328 20 0 FBADHN CCCCN(C)CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000488922179 485150904 /nfs/dbraw/zinc/15/09/04/485150904.db2.gz DAPPWPIXMAVARY-KBPBESRZSA-N 0 3 359.492 -0.130 20 0 FBADHN CCCCN(C)CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000488922180 485150981 /nfs/dbraw/zinc/15/09/81/485150981.db2.gz DAPPWPIXMAVARY-KGLIPLIRSA-N 0 3 359.492 -0.130 20 0 FBADHN CCCCN(C)CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000488922181 485150822 /nfs/dbraw/zinc/15/08/22/485150822.db2.gz DAPPWPIXMAVARY-UONOGXRCSA-N 0 3 359.492 -0.130 20 0 FBADHN CCCCN(C)CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000488922182 485151211 /nfs/dbraw/zinc/15/12/11/485151211.db2.gz DAPPWPIXMAVARY-ZIAGYGMSSA-N 0 3 359.492 -0.130 20 0 FBADHN C[C@@H]1C(=O)N(C)CCN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000488922779 485150862 /nfs/dbraw/zinc/15/08/62/485150862.db2.gz APRBMLGSDCAWLL-CYBMUJFWSA-N 0 3 353.467 -0.199 20 0 FBADHN C[C@H]1C(=O)N(C)CCN1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000488922790 485150750 /nfs/dbraw/zinc/15/07/50/485150750.db2.gz APRBMLGSDCAWLL-ZDUSSCGKSA-N 0 3 353.467 -0.199 20 0 FBADHN CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000488965170 485150939 /nfs/dbraw/zinc/15/09/39/485150939.db2.gz BSYDBFXYXQNBJU-INIZCTEOSA-N 0 3 367.471 -0.025 20 0 FBADHN CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000488965171 485151053 /nfs/dbraw/zinc/15/10/53/485151053.db2.gz BSYDBFXYXQNBJU-MRXNPFEDSA-N 0 3 367.471 -0.025 20 0 FBADHN CC(C)(C)NC(=O)CNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489094012 485153015 /nfs/dbraw/zinc/15/30/15/485153015.db2.gz KIRNSKVFMOGZML-UHFFFAOYSA-N 0 3 367.494 -0.743 20 0 FBADHN CC1(C)NC(=O)N(CCCN2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000489122522 485152974 /nfs/dbraw/zinc/15/29/74/485152974.db2.gz ODSJVNPVDKMPGH-UHFFFAOYSA-N 0 3 365.478 -0.053 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000489126888 485153612 /nfs/dbraw/zinc/15/36/12/485153612.db2.gz IRNJYULWSUWRCN-AWEZNQCLSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000489126894 660083512 /nfs/dbraw/zinc/08/35/12/660083512.db2.gz IRNJYULWSUWRCN-CQSZACIVSA-N 0 3 353.467 -0.151 20 0 FBADHN CCCCNC(=O)NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489128506 485154317 /nfs/dbraw/zinc/15/43/17/485154317.db2.gz MWQDAGLFMSUCJN-UHFFFAOYSA-N 0 3 353.467 -0.148 20 0 FBADHN CCOC(=O)CCCNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489147050 485154199 /nfs/dbraw/zinc/15/41/99/485154199.db2.gz ILSZFOWBLZPDAE-UHFFFAOYSA-N 0 3 368.478 -0.314 20 0 FBADHN CC(C)(C)NC(=O)NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489150593 485154053 /nfs/dbraw/zinc/15/40/53/485154053.db2.gz XWDKVILKHOAQGO-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN CCCNC(=O)CN(C)C(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489152657 485153954 /nfs/dbraw/zinc/15/39/54/485153954.db2.gz CEQIXFMYLFEKOW-UHFFFAOYSA-N 0 3 367.494 -0.789 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489158600 485153908 /nfs/dbraw/zinc/15/39/08/485153908.db2.gz SEFSQUIGWUNQCU-AWEZNQCLSA-N 0 3 369.466 -0.913 20 0 FBADHN COC[C@@H](C)NC(=O)NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489158601 485154212 /nfs/dbraw/zinc/15/42/12/485154212.db2.gz SEFSQUIGWUNQCU-CQSZACIVSA-N 0 3 369.466 -0.913 20 0 FBADHN CC(C)CNC(=O)NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489169594 485153874 /nfs/dbraw/zinc/15/38/74/485153874.db2.gz IEWVJOYTDZODND-UHFFFAOYSA-N 0 3 353.467 -0.292 20 0 FBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000489180898 485154972 /nfs/dbraw/zinc/15/49/72/485154972.db2.gz SRUIVHGVBDZOBU-CABCVRRESA-N 0 3 352.504 -0.057 20 0 FBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000489180899 485155169 /nfs/dbraw/zinc/15/51/69/485155169.db2.gz SRUIVHGVBDZOBU-GJZGRUSLSA-N 0 3 352.504 -0.057 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000489180900 485155396 /nfs/dbraw/zinc/15/53/96/485155396.db2.gz SRUIVHGVBDZOBU-HUUCEWRRSA-N 0 3 352.504 -0.057 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000489180901 485154730 /nfs/dbraw/zinc/15/47/30/485154730.db2.gz SRUIVHGVBDZOBU-LSDHHAIUSA-N 0 3 352.504 -0.057 20 0 FBADHN C[C@H]1C(=O)N(C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000489200738 485155190 /nfs/dbraw/zinc/15/51/90/485155190.db2.gz FSNJSKKFDRQYKQ-KBPBESRZSA-N 0 3 353.467 -0.199 20 0 FBADHN C[C@@H]1C(=O)N(C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000489200741 485154901 /nfs/dbraw/zinc/15/49/01/485154901.db2.gz FSNJSKKFDRQYKQ-KGLIPLIRSA-N 0 3 353.467 -0.199 20 0 FBADHN C[C@H]1C(=O)N(C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000489200744 485155490 /nfs/dbraw/zinc/15/54/90/485155490.db2.gz FSNJSKKFDRQYKQ-UONOGXRCSA-N 0 3 353.467 -0.199 20 0 FBADHN C[C@@H]1C(=O)N(C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000489200746 485155234 /nfs/dbraw/zinc/15/52/34/485155234.db2.gz FSNJSKKFDRQYKQ-ZIAGYGMSSA-N 0 3 353.467 -0.199 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000489204332 485154803 /nfs/dbraw/zinc/15/48/03/485154803.db2.gz LCZBXQFOADNGNE-ZIAGYGMSSA-N 0 3 364.512 -0.246 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCN1CCOC ZINC000489224633 485156703 /nfs/dbraw/zinc/15/67/03/485156703.db2.gz YLXGMMOGVJWLKG-KBPBESRZSA-N 0 3 362.496 -0.180 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@H]1CCCN1CCOC ZINC000489224634 485156015 /nfs/dbraw/zinc/15/60/15/485156015.db2.gz YLXGMMOGVJWLKG-KGLIPLIRSA-N 0 3 362.496 -0.180 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@H]1CCCN1CCOC ZINC000489224635 485156673 /nfs/dbraw/zinc/15/66/73/485156673.db2.gz YLXGMMOGVJWLKG-UONOGXRCSA-N 0 3 362.496 -0.180 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H]1CCCN1CCOC ZINC000489224636 485156117 /nfs/dbraw/zinc/15/61/17/485156117.db2.gz YLXGMMOGVJWLKG-ZIAGYGMSSA-N 0 3 362.496 -0.180 20 0 FBADHN Cc1c(S(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)cnn1C ZINC000489233343 485156330 /nfs/dbraw/zinc/15/63/30/485156330.db2.gz GVDKGACUXMCKCA-UHFFFAOYSA-N 0 3 357.480 -0.193 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCN(C)CCOC ZINC000489330054 485157102 /nfs/dbraw/zinc/15/71/02/485157102.db2.gz ONYVSNHHIDVZSG-CYBMUJFWSA-N 0 3 350.485 -0.322 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCN(C)CCOC ZINC000489330055 485157199 /nfs/dbraw/zinc/15/71/99/485157199.db2.gz ONYVSNHHIDVZSG-ZDUSSCGKSA-N 0 3 350.485 -0.322 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCN(CCOC)CC1 ZINC000489386409 485159367 /nfs/dbraw/zinc/15/93/67/485159367.db2.gz GDTCUJANLNJQOI-AWEZNQCLSA-N 0 3 362.496 -0.180 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CCN(CCOC)CC1 ZINC000489386410 485158308 /nfs/dbraw/zinc/15/83/08/485158308.db2.gz GDTCUJANLNJQOI-CQSZACIVSA-N 0 3 362.496 -0.180 20 0 FBADHN COCCCN(C)CCNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000489416384 485158447 /nfs/dbraw/zinc/15/84/47/485158447.db2.gz ZPQBJADDDCEQRK-CYBMUJFWSA-N 0 3 350.485 -0.370 20 0 FBADHN COCCCN(C)CCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000489416385 485159279 /nfs/dbraw/zinc/15/92/79/485159279.db2.gz ZPQBJADDDCEQRK-ZDUSSCGKSA-N 0 3 350.485 -0.370 20 0 FBADHN COCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCO[C@@H]1C ZINC000489483482 485160138 /nfs/dbraw/zinc/16/01/38/485160138.db2.gz PKPLEXKRKAKJCQ-CHWSQXEVSA-N 0 3 365.434 -0.441 20 0 FBADHN COCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCO[C@@H]1C ZINC000489483484 485160062 /nfs/dbraw/zinc/16/00/62/485160062.db2.gz PKPLEXKRKAKJCQ-OLZOCXBDSA-N 0 3 365.434 -0.441 20 0 FBADHN COCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCO[C@H]1C ZINC000489483487 485160100 /nfs/dbraw/zinc/16/01/00/485160100.db2.gz PKPLEXKRKAKJCQ-QWHCGFSZSA-N 0 3 365.434 -0.441 20 0 FBADHN COCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCO[C@H]1C ZINC000489483490 485160273 /nfs/dbraw/zinc/16/02/73/485160273.db2.gz PKPLEXKRKAKJCQ-STQMWFEESA-N 0 3 365.434 -0.441 20 0 FBADHN CN(C)c1nccc(N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)n1 ZINC000489512349 485159839 /nfs/dbraw/zinc/15/98/39/485159839.db2.gz TUPLYAFVTLRMIF-HNNXBMFYSA-N 0 3 359.478 -0.419 20 0 FBADHN CN(C)c1nccc(N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)n1 ZINC000489512353 485159734 /nfs/dbraw/zinc/15/97/34/485159734.db2.gz TUPLYAFVTLRMIF-OAHLLOKOSA-N 0 3 359.478 -0.419 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000489570025 485161348 /nfs/dbraw/zinc/16/13/48/485161348.db2.gz VRPCUZJTOPWUPO-CYBMUJFWSA-N 0 3 356.448 -0.088 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000489570026 485161163 /nfs/dbraw/zinc/16/11/63/485161163.db2.gz VRPCUZJTOPWUPO-ZDUSSCGKSA-N 0 3 356.448 -0.088 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCN(C)CCCOC ZINC000489581209 485161311 /nfs/dbraw/zinc/16/13/11/485161311.db2.gz FVYJAQIUDJELCS-CYBMUJFWSA-N 0 3 350.485 -0.322 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCN(C)CCCOC ZINC000489581212 485160989 /nfs/dbraw/zinc/16/09/89/485160989.db2.gz FVYJAQIUDJELCS-ZDUSSCGKSA-N 0 3 350.485 -0.322 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)nn1 ZINC000489775889 485164798 /nfs/dbraw/zinc/16/47/98/485164798.db2.gz JWLFSJAEOOKXAX-DGCLKSJQSA-N 0 3 354.411 -0.952 20 0 FBADHN COC[C@@H](O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000489823315 485164363 /nfs/dbraw/zinc/16/43/63/485164363.db2.gz VCTBPKLBSSQEMJ-AWEZNQCLSA-N 0 3 371.459 -0.008 20 0 FBADHN COC[C@H](O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000489823317 485164264 /nfs/dbraw/zinc/16/42/64/485164264.db2.gz VCTBPKLBSSQEMJ-CQSZACIVSA-N 0 3 371.459 -0.008 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)NCC2(O)CCN(C)CC2)n(C)c1 ZINC000489879976 485165544 /nfs/dbraw/zinc/16/55/44/485165544.db2.gz DCLBKOSZMBDQQL-UHFFFAOYSA-N 0 3 358.464 -0.538 20 0 FBADHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000489891646 485165648 /nfs/dbraw/zinc/16/56/48/485165648.db2.gz PWPMBGLHNANLTD-NSHDSACASA-N 0 3 355.416 -0.362 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)C1=O ZINC000489910726 485166571 /nfs/dbraw/zinc/16/65/71/485166571.db2.gz CCAFIMKMVRWPKC-HZSPNIEDSA-N 0 3 370.450 -0.753 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)C1=O ZINC000489910727 485166639 /nfs/dbraw/zinc/16/66/39/485166639.db2.gz CCAFIMKMVRWPKC-MGPQQGTHSA-N 0 3 370.450 -0.753 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1=O ZINC000489913310 485166707 /nfs/dbraw/zinc/16/67/07/485166707.db2.gz HJASEZMRMJMRSD-CXAGYDPISA-N 0 3 352.435 -0.112 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CC[C@]3(CCN(C)C3)C2)C1=O ZINC000489913311 485166899 /nfs/dbraw/zinc/16/68/99/485166899.db2.gz HJASEZMRMJMRSD-DYVFJYSZSA-N 0 3 352.435 -0.112 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@]3(CCN(C)C3)C2)C1=O ZINC000489913312 485167018 /nfs/dbraw/zinc/16/70/18/485167018.db2.gz HJASEZMRMJMRSD-GUYCJALGSA-N 0 3 352.435 -0.112 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1=O ZINC000489913313 485167095 /nfs/dbraw/zinc/16/70/95/485167095.db2.gz HJASEZMRMJMRSD-SUMWQHHRSA-N 0 3 352.435 -0.112 20 0 FBADHN COC(=O)CC1(NCC(=O)NCCCN2CCCC2=O)CCOCC1 ZINC000489953039 485166835 /nfs/dbraw/zinc/16/68/35/485166835.db2.gz INBAQLBGFCZBKG-UHFFFAOYSA-N 0 3 355.435 -0.183 20 0 FBADHN COC(=O)CC1(NCC(=O)NCC(C)(C)N2CCOCC2)CCOCC1 ZINC000489974959 485166912 /nfs/dbraw/zinc/16/69/12/485166912.db2.gz YGYGLIRIUZSLRS-UHFFFAOYSA-N 0 3 371.478 -0.085 20 0 FBADHN COC(=O)CC1(NCC(=O)N2CCC[C@H](NC(C)=O)C2)CCOCC1 ZINC000489989417 485167723 /nfs/dbraw/zinc/16/77/23/485167723.db2.gz YUUMUMWOSQAAPN-AWEZNQCLSA-N 0 3 355.435 -0.185 20 0 FBADHN COC(=O)CC1(NCC(=O)N2CCC[C@@H](NC(C)=O)C2)CCOCC1 ZINC000489989420 485168032 /nfs/dbraw/zinc/16/80/32/485168032.db2.gz YUUMUMWOSQAAPN-CQSZACIVSA-N 0 3 355.435 -0.185 20 0 FBADHN COC(=O)CC1(NCCNS(=O)(=O)c2cnn(C)c2)CCOCC1 ZINC000489992187 485168022 /nfs/dbraw/zinc/16/80/22/485168022.db2.gz LSVOETHUDGBUJN-UHFFFAOYSA-N 0 3 360.436 -0.600 20 0 FBADHN COCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCOC1 ZINC000490043804 485167614 /nfs/dbraw/zinc/16/76/14/485167614.db2.gz KWIMFAHSNHIAOI-GFCCVEGCSA-N 0 3 351.407 -0.829 20 0 FBADHN COCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCOC1 ZINC000490043805 485167627 /nfs/dbraw/zinc/16/76/27/485167627.db2.gz KWIMFAHSNHIAOI-LBPRGKRZSA-N 0 3 351.407 -0.829 20 0 FBADHN NC1(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCCC1 ZINC000490088436 485169022 /nfs/dbraw/zinc/16/90/22/485169022.db2.gz IGSQTOHQAGOJOL-UHFFFAOYSA-N 0 3 352.435 -0.822 20 0 FBADHN COCCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCOC1 ZINC000490094589 485169004 /nfs/dbraw/zinc/16/90/04/485169004.db2.gz CFKBXIRAKZPCMA-CYBMUJFWSA-N 0 3 365.434 -0.439 20 0 FBADHN COCCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCOC1 ZINC000490094590 485168288 /nfs/dbraw/zinc/16/82/88/485168288.db2.gz CFKBXIRAKZPCMA-ZDUSSCGKSA-N 0 3 365.434 -0.439 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1=O ZINC000490245108 485170617 /nfs/dbraw/zinc/17/06/17/485170617.db2.gz MAGXJWNEZPBMPU-JTQLQIEISA-N 0 3 350.341 -0.413 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1=O ZINC000490245147 485170448 /nfs/dbraw/zinc/17/04/48/485170448.db2.gz MAGXJWNEZPBMPU-SNVBAGLBSA-N 0 3 350.341 -0.413 20 0 FBADHN CCC(CC)NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490267322 485172047 /nfs/dbraw/zinc/17/20/47/485172047.db2.gz FDKUWJFYPJWWFV-UHFFFAOYSA-N 0 3 352.439 -0.196 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2CCCC2)cn1 ZINC000490271261 485172033 /nfs/dbraw/zinc/17/20/33/485172033.db2.gz LZHMSCJKCAKHBH-UHFFFAOYSA-N 0 3 350.423 -0.442 20 0 FBADHN CC(C)CCNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490273712 485171862 /nfs/dbraw/zinc/17/18/62/485171862.db2.gz REPDZJAUEIQGFA-UHFFFAOYSA-N 0 3 352.439 -0.338 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2CCCCC2)cn1 ZINC000490278356 485171925 /nfs/dbraw/zinc/17/19/25/485171925.db2.gz KYBOLDMOKOVVCZ-UHFFFAOYSA-N 0 3 364.450 -0.052 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccccc2)cn1 ZINC000490278787 485172357 /nfs/dbraw/zinc/17/23/57/485172357.db2.gz LOIXQTQFHYRZTN-UHFFFAOYSA-N 0 3 372.429 -0.184 20 0 FBADHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000490290790 485172188 /nfs/dbraw/zinc/17/21/88/485172188.db2.gz VRZZIIICNJVIPK-UHFFFAOYSA-N 0 3 350.423 -0.443 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC2(C)C)cn1 ZINC000490352564 485173173 /nfs/dbraw/zinc/17/31/73/485173173.db2.gz IZODMBXLDUUJER-GFCCVEGCSA-N 0 3 350.423 -0.586 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC2(C)C)cn1 ZINC000490352565 485173354 /nfs/dbraw/zinc/17/33/54/485173354.db2.gz IZODMBXLDUUJER-LBPRGKRZSA-N 0 3 350.423 -0.586 20 0 FBADHN CC[C@@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490353121 485173503 /nfs/dbraw/zinc/17/35/03/485173503.db2.gz KPWGAVGIKKXCOW-GFCCVEGCSA-N 0 3 352.439 -0.244 20 0 FBADHN CC[C@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490353122 485173518 /nfs/dbraw/zinc/17/35/18/485173518.db2.gz KPWGAVGIKKXCOW-LBPRGKRZSA-N 0 3 352.439 -0.244 20 0 FBADHN CCN(C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CC1 ZINC000490354171 485173467 /nfs/dbraw/zinc/17/34/67/485173467.db2.gz PSSAFLNPLBPYNV-UHFFFAOYSA-N 0 3 350.423 -0.490 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)C)cn1 ZINC000490361045 485173365 /nfs/dbraw/zinc/17/33/65/485173365.db2.gz DEBPXGQEKRDYCP-UHFFFAOYSA-N 0 3 352.439 -0.338 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2CCCC2)cn1 ZINC000490362309 485173187 /nfs/dbraw/zinc/17/31/87/485173187.db2.gz FJKLBWKEEWLFPV-UHFFFAOYSA-N 0 3 364.450 -0.194 20 0 FBADHN C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490365604 485172954 /nfs/dbraw/zinc/17/29/54/485172954.db2.gz ACXIWKOZMKAXFL-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490365621 485173483 /nfs/dbraw/zinc/17/34/83/485173483.db2.gz ACXIWKOZMKAXFL-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2CCC2)cn1 ZINC000490365631 485172979 /nfs/dbraw/zinc/17/29/79/485172979.db2.gz IQEGPGONDUXRSQ-UHFFFAOYSA-N 0 3 350.423 -0.584 20 0 FBADHN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490369605 485172708 /nfs/dbraw/zinc/17/27/08/485172708.db2.gz BSSRHKWVKAOJNQ-NEPJUHHUSA-N 0 3 350.423 -0.728 20 0 FBADHN C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490369606 485173523 /nfs/dbraw/zinc/17/35/23/485173523.db2.gz BSSRHKWVKAOJNQ-NWDGAFQWSA-N 0 3 350.423 -0.728 20 0 FBADHN C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490369608 485172892 /nfs/dbraw/zinc/17/28/92/485172892.db2.gz BSSRHKWVKAOJNQ-RYUDHWBXSA-N 0 3 350.423 -0.728 20 0 FBADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490369609 485172825 /nfs/dbraw/zinc/17/28/25/485172825.db2.gz BSSRHKWVKAOJNQ-VXGBXAGGSA-N 0 3 350.423 -0.728 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)N(C)C ZINC000490384863 485173032 /nfs/dbraw/zinc/17/30/32/485173032.db2.gz ZVRSXMNTDKNDIO-GFCCVEGCSA-N 0 3 364.450 -0.053 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)N(C)C ZINC000490384864 485173247 /nfs/dbraw/zinc/17/32/47/485173247.db2.gz ZVRSXMNTDKNDIO-LBPRGKRZSA-N 0 3 364.450 -0.053 20 0 FBADHN CC(C)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490391616 485173539 /nfs/dbraw/zinc/17/35/39/485173539.db2.gz DDWWRZCEJSLDNR-UHFFFAOYSA-N 0 3 352.439 -0.386 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCSCC2)cn1 ZINC000490410343 485173918 /nfs/dbraw/zinc/17/39/18/485173918.db2.gz PGWPHFCPDGOTDJ-UHFFFAOYSA-N 0 3 368.463 -0.925 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000490411741 485174569 /nfs/dbraw/zinc/17/45/69/485174569.db2.gz SEVMZSYQWMRIRY-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN C[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000490440572 485174680 /nfs/dbraw/zinc/17/46/80/485174680.db2.gz COQLQQBDWBNVGN-CHWSQXEVSA-N 0 3 364.450 -0.244 20 0 FBADHN C[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000490440593 485174387 /nfs/dbraw/zinc/17/43/87/485174387.db2.gz COQLQQBDWBNVGN-OLZOCXBDSA-N 0 3 364.450 -0.244 20 0 FBADHN C[C@@H]1C[C@H](C)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490440595 485173903 /nfs/dbraw/zinc/17/39/03/485173903.db2.gz COQLQQBDWBNVGN-QWHCGFSZSA-N 0 3 364.450 -0.244 20 0 FBADHN C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000490440598 485174466 /nfs/dbraw/zinc/17/44/66/485174466.db2.gz COQLQQBDWBNVGN-STQMWFEESA-N 0 3 364.450 -0.244 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000490443008 485174282 /nfs/dbraw/zinc/17/42/82/485174282.db2.gz IWBBJYXSUMWEHO-AWEZNQCLSA-N 0 3 362.434 -0.299 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000490443010 485173842 /nfs/dbraw/zinc/17/38/42/485173842.db2.gz IWBBJYXSUMWEHO-CQSZACIVSA-N 0 3 362.434 -0.299 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC=CCC2)cn1 ZINC000490451838 485174027 /nfs/dbraw/zinc/17/40/27/485174027.db2.gz HQKDUSICQAVIAT-CYBMUJFWSA-N 0 3 362.434 -0.276 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC=CCC2)cn1 ZINC000490451839 485174426 /nfs/dbraw/zinc/17/44/26/485174426.db2.gz HQKDUSICQAVIAT-ZDUSSCGKSA-N 0 3 362.434 -0.276 20 0 FBADHN CSC[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490454058 485174308 /nfs/dbraw/zinc/17/43/08/485174308.db2.gz MHRXOVZWWKFZPL-LLVKDONJSA-N 0 3 370.479 -0.633 20 0 FBADHN CSC[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490454235 485173978 /nfs/dbraw/zinc/17/39/78/485173978.db2.gz MHRXOVZWWKFZPL-NSHDSACASA-N 0 3 370.479 -0.633 20 0 FBADHN CN1CCC(O)(CNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000490462175 485173875 /nfs/dbraw/zinc/17/38/75/485173875.db2.gz YVTDLWGVQMIQCC-UHFFFAOYSA-N 0 3 358.402 -0.221 20 0 FBADHN C[C@H](CC1CC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490463234 485174352 /nfs/dbraw/zinc/17/43/52/485174352.db2.gz HTZUZAGJPSAIAJ-GFCCVEGCSA-N 0 3 364.450 -0.196 20 0 FBADHN C[C@@H](CC1CC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490463235 485174539 /nfs/dbraw/zinc/17/45/39/485174539.db2.gz HTZUZAGJPSAIAJ-LBPRGKRZSA-N 0 3 364.450 -0.196 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)C1CC1 ZINC000490465975 485174608 /nfs/dbraw/zinc/17/46/08/485174608.db2.gz XOFIYHRDNQKCAD-AWEZNQCLSA-N 0 3 362.434 -0.443 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)C1CC1 ZINC000490465976 485174668 /nfs/dbraw/zinc/17/46/68/485174668.db2.gz XOFIYHRDNQKCAD-CQSZACIVSA-N 0 3 362.434 -0.443 20 0 FBADHN CCN(C)CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000490470894 485175791 /nfs/dbraw/zinc/17/57/91/485175791.db2.gz NDWWAMUEDHMQSA-UHFFFAOYSA-N 0 3 364.450 -0.052 20 0 FBADHN O=C(Cn1cc(NC(=O)C(=O)NCCNc2ccncc2)cn1)NC1CC1 ZINC000490475938 485175217 /nfs/dbraw/zinc/17/52/17/485175217.db2.gz GTJOXQDVOFGZRN-UHFFFAOYSA-N 0 3 371.401 -0.855 20 0 FBADHN CCN(CC1CC1)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490477137 485175068 /nfs/dbraw/zinc/17/50/68/485175068.db2.gz LHUWKOVDEVDDRN-UHFFFAOYSA-N 0 3 364.450 -0.242 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC2(C)C)cn1 ZINC000490489837 485175076 /nfs/dbraw/zinc/17/50/76/485175076.db2.gz BNEXSHLAQSWOIA-UHFFFAOYSA-N 0 3 364.450 -0.100 20 0 FBADHN CCCN(C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CC1 ZINC000490493259 485175282 /nfs/dbraw/zinc/17/52/82/485175282.db2.gz USOFLMIHACJDTE-UHFFFAOYSA-N 0 3 364.450 -0.100 20 0 FBADHN CCN(CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)C1CC1 ZINC000490495182 485175593 /nfs/dbraw/zinc/17/55/93/485175593.db2.gz GTUGHNAJHVUNFT-UHFFFAOYSA-N 0 3 362.434 -0.299 20 0 FBADHN CC(C)N(C)CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000490498819 485175034 /nfs/dbraw/zinc/17/50/34/485175034.db2.gz HCMKVIDKAZSTSI-UHFFFAOYSA-N 0 3 350.423 -0.443 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C)(C)C2)cn1 ZINC000490499206 485175851 /nfs/dbraw/zinc/17/58/51/485175851.db2.gz NCOIIBDTHXDYSI-UHFFFAOYSA-N 0 3 364.450 -0.242 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CC2(C)C)cn1 ZINC000490500483 485175612 /nfs/dbraw/zinc/17/56/12/485175612.db2.gz ZRSLLKDZWSKKPP-GFCCVEGCSA-N 0 3 364.450 -0.338 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CC2(C)C)cn1 ZINC000490500484 485175049 /nfs/dbraw/zinc/17/50/49/485175049.db2.gz ZRSLLKDZWSKKPP-LBPRGKRZSA-N 0 3 364.450 -0.338 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)N(C)C1CC1 ZINC000490502794 485175146 /nfs/dbraw/zinc/17/51/46/485175146.db2.gz IRLQTEVADQRYQT-LLVKDONJSA-N 0 3 362.434 -0.301 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)N(C)C1CC1 ZINC000490502795 485175639 /nfs/dbraw/zinc/17/56/39/485175639.db2.gz IRLQTEVADQRYQT-NSHDSACASA-N 0 3 362.434 -0.301 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C[C@H]1C ZINC000490505245 485175442 /nfs/dbraw/zinc/17/54/42/485175442.db2.gz LPYADVGAJWJVAK-BETUJISGSA-N 0 3 364.450 -0.386 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C[C@H]1C ZINC000490505246 485175470 /nfs/dbraw/zinc/17/54/70/485175470.db2.gz LPYADVGAJWJVAK-CHWSQXEVSA-N 0 3 364.450 -0.386 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C[C@@H]1C ZINC000490505247 485175238 /nfs/dbraw/zinc/17/52/38/485175238.db2.gz LPYADVGAJWJVAK-STQMWFEESA-N 0 3 364.450 -0.386 20 0 FBADHN C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490508062 485175206 /nfs/dbraw/zinc/17/52/06/485175206.db2.gz ASWXHAAWDUBRJX-GFCCVEGCSA-N 0 3 350.423 -0.490 20 0 FBADHN C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490508073 485175421 /nfs/dbraw/zinc/17/54/21/485175421.db2.gz ASWXHAAWDUBRJX-LBPRGKRZSA-N 0 3 350.423 -0.490 20 0 FBADHN CC(C)[C@H](C)CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490509137 485175527 /nfs/dbraw/zinc/17/55/27/485175527.db2.gz XVRCSCQUODLHQG-CYBMUJFWSA-N 0 3 366.466 -0.092 20 0 FBADHN CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490509138 485175376 /nfs/dbraw/zinc/17/53/76/485175376.db2.gz XVRCSCQUODLHQG-ZDUSSCGKSA-N 0 3 366.466 -0.092 20 0 FBADHN CCCN(CC)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000490518443 485176458 /nfs/dbraw/zinc/17/64/58/485176458.db2.gz BCVVTHSFJJFICG-UHFFFAOYSA-N 0 3 352.439 -0.242 20 0 FBADHN COC(=O)[C@@H](CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)OC ZINC000490548108 485176245 /nfs/dbraw/zinc/17/62/45/485176245.db2.gz MHPNHFHIKNSZNY-GFCCVEGCSA-N 0 3 362.452 -0.472 20 0 FBADHN COC(=O)[C@H](CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)OC ZINC000490548129 485176308 /nfs/dbraw/zinc/17/63/08/485176308.db2.gz MHPNHFHIKNSZNY-LBPRGKRZSA-N 0 3 362.452 -0.472 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000490585545 485177681 /nfs/dbraw/zinc/17/76/81/485177681.db2.gz KPUYNKSFHBPQTM-UHFFFAOYSA-N 0 3 354.432 -0.173 20 0 FBADHN CN(CCN1CCCC1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000490588286 485178425 /nfs/dbraw/zinc/17/84/25/485178425.db2.gz QSHWLFFGVZEXJU-INIZCTEOSA-N 0 3 352.479 -0.279 20 0 FBADHN CN(CCN1CCCC1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000490588294 485178341 /nfs/dbraw/zinc/17/83/41/485178341.db2.gz QSHWLFFGVZEXJU-MRXNPFEDSA-N 0 3 352.479 -0.279 20 0 FBADHN CN(CCCNC(=O)CN1CCCC[C@H]1[C@@H]1CNC(=O)C1)S(C)(=O)=O ZINC000490628477 485178229 /nfs/dbraw/zinc/17/82/29/485178229.db2.gz HHLXXGOUJLTIJL-KBPBESRZSA-N 0 3 374.507 -0.625 20 0 FBADHN CN(CCCNC(=O)CN1CCCC[C@H]1[C@H]1CNC(=O)C1)S(C)(=O)=O ZINC000490628488 485177734 /nfs/dbraw/zinc/17/77/34/485177734.db2.gz HHLXXGOUJLTIJL-KGLIPLIRSA-N 0 3 374.507 -0.625 20 0 FBADHN CN(CCCNC(=O)CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1)S(C)(=O)=O ZINC000490628489 485177958 /nfs/dbraw/zinc/17/79/58/485177958.db2.gz HHLXXGOUJLTIJL-UONOGXRCSA-N 0 3 374.507 -0.625 20 0 FBADHN CN(CCCNC(=O)CN1CCCC[C@@H]1[C@H]1CNC(=O)C1)S(C)(=O)=O ZINC000490628490 485177993 /nfs/dbraw/zinc/17/79/93/485177993.db2.gz HHLXXGOUJLTIJL-ZIAGYGMSSA-N 0 3 374.507 -0.625 20 0 FBADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 ZINC000490751209 485179402 /nfs/dbraw/zinc/17/94/02/485179402.db2.gz MHUGUCIXECUJQR-CYBMUJFWSA-N 0 3 361.406 -0.663 20 0 FBADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 ZINC000490751210 485179186 /nfs/dbraw/zinc/17/91/86/485179186.db2.gz MHUGUCIXECUJQR-ZDUSSCGKSA-N 0 3 361.406 -0.663 20 0 FBADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1 ZINC000490760274 485179533 /nfs/dbraw/zinc/17/95/33/485179533.db2.gz QGGBLECACRWRKG-CYBMUJFWSA-N 0 3 372.447 -0.575 20 0 FBADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 ZINC000490760283 485180798 /nfs/dbraw/zinc/18/07/98/485180798.db2.gz QGGBLECACRWRKG-ZDUSSCGKSA-N 0 3 372.447 -0.575 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@](O)(Cn3ccnn3)C2)C[C@@H](C)O1 ZINC000490769673 485004389 /nfs/dbraw/zinc/00/43/89/485004389.db2.gz OVOHVHUVZHROTH-QBPKDAKJSA-N 0 3 353.467 -0.425 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@](O)(Cn3ccnn3)C2)C[C@H](C)O1 ZINC000490769688 485004690 /nfs/dbraw/zinc/00/46/90/485004690.db2.gz OVOHVHUVZHROTH-TWMKSMIVSA-N 0 3 353.467 -0.425 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@](O)(Cn3ccnn3)C2)C[C@@H](C)O1 ZINC000490769690 485004977 /nfs/dbraw/zinc/00/49/77/485004977.db2.gz OVOHVHUVZHROTH-VQHPVUNQSA-N 0 3 353.467 -0.425 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@](O)(Cn3ccnn3)C2)C[C@H](C)O1 ZINC000490769692 485004194 /nfs/dbraw/zinc/00/41/94/485004194.db2.gz OVOHVHUVZHROTH-YYIAUSFCSA-N 0 3 353.467 -0.425 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3(N)CCCC3)CC2)cn1 ZINC000490810506 485180246 /nfs/dbraw/zinc/18/02/46/485180246.db2.gz JXFKWDWKINVAHM-UHFFFAOYSA-N 0 3 355.464 -0.039 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCC(NC(=O)CN)CC2)cc1OC ZINC000490855652 485180557 /nfs/dbraw/zinc/18/05/57/485180557.db2.gz XZZUYQUWHPHCAZ-UHFFFAOYSA-N 0 3 357.432 -0.068 20 0 FBADHN NC1(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCC1 ZINC000490890385 485181547 /nfs/dbraw/zinc/18/15/47/485181547.db2.gz YBDCSDTWOKKOBH-UHFFFAOYSA-N 0 3 360.480 -0.585 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000490990834 485183177 /nfs/dbraw/zinc/18/31/77/485183177.db2.gz RXMULCVRCYSLTO-AWEZNQCLSA-N 0 3 352.416 -0.220 20 0 FBADHN N[C@H](Cc1ccccc1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000490990835 485182697 /nfs/dbraw/zinc/18/26/97/485182697.db2.gz RXMULCVRCYSLTO-CQSZACIVSA-N 0 3 352.416 -0.220 20 0 FBADHN CCCCN(C)CCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000490999086 485183047 /nfs/dbraw/zinc/18/30/47/485183047.db2.gz JNFQDCVHXJBHHJ-CYBMUJFWSA-N 0 3 362.496 -0.289 20 0 FBADHN CCCCN(C)CCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000490999087 485183220 /nfs/dbraw/zinc/18/32/20/485183220.db2.gz JNFQDCVHXJBHHJ-ZDUSSCGKSA-N 0 3 362.496 -0.289 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000491020169 485183385 /nfs/dbraw/zinc/18/33/85/485183385.db2.gz NDINYGYZNGAXMT-CVEARBPZSA-N 0 3 367.538 -0.025 20 0 FBADHN C[C@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000491020170 485183009 /nfs/dbraw/zinc/18/30/09/485183009.db2.gz NDINYGYZNGAXMT-HOTGVXAUSA-N 0 3 367.538 -0.025 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000491020171 485182509 /nfs/dbraw/zinc/18/25/09/485182509.db2.gz NDINYGYZNGAXMT-HZPDHXFCSA-N 0 3 367.538 -0.025 20 0 FBADHN C[C@H]1CN(CC(=O)NCC(=O)NC(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000491020173 485183191 /nfs/dbraw/zinc/18/31/91/485183191.db2.gz NDINYGYZNGAXMT-JKSUJKDBSA-N 0 3 367.538 -0.025 20 0 FBADHN CCCCN(C)CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000491022910 485183168 /nfs/dbraw/zinc/18/31/68/485183168.db2.gz QGQBWWRMKOFCKE-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000491033332 485183991 /nfs/dbraw/zinc/18/39/91/485183991.db2.gz QGMGIVORCYXNQE-KBPBESRZSA-N 0 3 353.467 -0.199 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000491033340 485184316 /nfs/dbraw/zinc/18/43/16/485184316.db2.gz QGMGIVORCYXNQE-KGLIPLIRSA-N 0 3 353.467 -0.199 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000491033342 485183962 /nfs/dbraw/zinc/18/39/62/485183962.db2.gz QGMGIVORCYXNQE-UONOGXRCSA-N 0 3 353.467 -0.199 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000491033345 485184490 /nfs/dbraw/zinc/18/44/90/485184490.db2.gz QGMGIVORCYXNQE-ZIAGYGMSSA-N 0 3 353.467 -0.199 20 0 FBADHN CCCCN(C)CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000491035594 485184527 /nfs/dbraw/zinc/18/45/27/485184527.db2.gz WFVPBKJWCZYCOV-UHFFFAOYSA-N 0 3 369.510 -0.096 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000491056314 485184550 /nfs/dbraw/zinc/18/45/50/485184550.db2.gz USYLBZNPHXHKNU-CVEARBPZSA-N 0 3 369.510 -0.363 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000491056323 485184604 /nfs/dbraw/zinc/18/46/04/485184604.db2.gz USYLBZNPHXHKNU-HOTGVXAUSA-N 0 3 369.510 -0.363 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000491056324 485184421 /nfs/dbraw/zinc/18/44/21/485184421.db2.gz USYLBZNPHXHKNU-HZPDHXFCSA-N 0 3 369.510 -0.363 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000491056326 485184465 /nfs/dbraw/zinc/18/44/65/485184465.db2.gz USYLBZNPHXHKNU-JKSUJKDBSA-N 0 3 369.510 -0.363 20 0 FBADHN CC(C)C[C@H](NC(=O)CCn1cnccc1=O)C(=O)NCCN(C)C ZINC000491059031 485184260 /nfs/dbraw/zinc/18/42/60/485184260.db2.gz QSCDAVNLWGWDOL-AWEZNQCLSA-N 0 3 351.451 -0.158 20 0 FBADHN CC(C)C[C@H](NC(=O)CCn1ncn(C)c1=O)C(=O)NCCN(C)C ZINC000491059649 485184001 /nfs/dbraw/zinc/18/40/01/485184001.db2.gz TWMZVIRZPGIGBR-ZDUSSCGKSA-N 0 3 354.455 -0.819 20 0 FBADHN CCCCN(C)CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000491077961 485184082 /nfs/dbraw/zinc/18/40/82/485184082.db2.gz NESCTIRUVSNVMC-UHFFFAOYSA-N 0 3 352.443 -0.741 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCCN2CCCC2=O)CC1 ZINC000491243936 485185984 /nfs/dbraw/zinc/18/59/84/485185984.db2.gz OQGKRDDRJSRYRZ-UHFFFAOYSA-N 0 3 365.478 -0.052 20 0 FBADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000491293405 485185340 /nfs/dbraw/zinc/18/53/40/485185340.db2.gz DRSRBACZPZWUBX-UHFFFAOYSA-N 0 3 356.448 -0.009 20 0 FBADHN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000491299687 485185363 /nfs/dbraw/zinc/18/53/63/485185363.db2.gz ULJKIUCPOXILCH-UHFFFAOYSA-N 0 3 372.447 -0.772 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2F)cn1 ZINC000491310989 485185386 /nfs/dbraw/zinc/18/53/86/485185386.db2.gz GTDBEIDWUHUORT-OLZOCXBDSA-N 0 3 368.413 -0.494 20 0 FBADHN NC(=O)CCOc1ccc(NC(=O)C(=O)NCCNc2ccncc2)cc1 ZINC000491346537 485186945 /nfs/dbraw/zinc/18/69/45/485186945.db2.gz NAQMUKPRFGNNQV-UHFFFAOYSA-N 0 3 371.397 -0.076 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(C)CCC2)cn1 ZINC000491460002 485186918 /nfs/dbraw/zinc/18/69/18/485186918.db2.gz VOZSQEKVEHTHEO-UHFFFAOYSA-N 0 3 364.450 -0.194 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2F)cn1 ZINC000491467372 485186661 /nfs/dbraw/zinc/18/66/61/485186661.db2.gz GTDBEIDWUHUORT-QWHCGFSZSA-N 0 3 368.413 -0.494 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2C=CCCC2)cn1 ZINC000491469773 485188124 /nfs/dbraw/zinc/18/81/24/485188124.db2.gz DSNRBBQBNDKGNA-CYBMUJFWSA-N 0 3 362.434 -0.276 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2C=CCCC2)cn1 ZINC000491469774 485188383 /nfs/dbraw/zinc/18/83/83/485188383.db2.gz DSNRBBQBNDKGNA-ZDUSSCGKSA-N 0 3 362.434 -0.276 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(C)CC2)cn1 ZINC000491542109 485188085 /nfs/dbraw/zinc/18/80/85/485188085.db2.gz AUVYQQOCVADZDD-UHFFFAOYSA-N 0 3 350.423 -0.584 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000491571503 485187773 /nfs/dbraw/zinc/18/77/73/485187773.db2.gz FBQLQUIFIKZABO-CYBMUJFWSA-N 0 3 366.443 -0.160 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000491571504 485188073 /nfs/dbraw/zinc/18/80/73/485188073.db2.gz FBQLQUIFIKZABO-ZDUSSCGKSA-N 0 3 366.443 -0.160 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)[C@@H]1C ZINC000491578005 485187987 /nfs/dbraw/zinc/18/79/87/485187987.db2.gz BZPFLKQDGKBEPP-CHWSQXEVSA-N 0 3 364.450 -0.244 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)[C@H]1C ZINC000491578006 485188104 /nfs/dbraw/zinc/18/81/04/485188104.db2.gz BZPFLKQDGKBEPP-OLZOCXBDSA-N 0 3 364.450 -0.244 20 0 FBADHN C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000491578007 485187948 /nfs/dbraw/zinc/18/79/48/485187948.db2.gz BZPFLKQDGKBEPP-QWHCGFSZSA-N 0 3 364.450 -0.244 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)[C@H]1C ZINC000491578008 485187815 /nfs/dbraw/zinc/18/78/15/485187815.db2.gz BZPFLKQDGKBEPP-STQMWFEESA-N 0 3 364.450 -0.244 20 0 FBADHN CC1CC(NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000491580453 485188003 /nfs/dbraw/zinc/18/80/03/485188003.db2.gz BPWATLYUSPDLPP-UHFFFAOYSA-N 0 3 350.423 -0.586 20 0 FBADHN CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000491589249 485188208 /nfs/dbraw/zinc/18/82/08/485188208.db2.gz PEGHALSNHRAAJR-CYBMUJFWSA-N 0 3 364.450 -0.242 20 0 FBADHN CC[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000491589250 485188217 /nfs/dbraw/zinc/18/82/17/485188217.db2.gz PEGHALSNHRAAJR-ZDUSSCGKSA-N 0 3 364.450 -0.242 20 0 FBADHN CCC1(CNC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1 ZINC000491596640 485188757 /nfs/dbraw/zinc/18/87/57/485188757.db2.gz MMZPRPJKTJWMBH-UHFFFAOYSA-N 0 3 364.450 -0.194 20 0 FBADHN CN(CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CC1 ZINC000491791395 485189314 /nfs/dbraw/zinc/18/93/14/485189314.db2.gz ZFNICUCRDZTSME-UHFFFAOYSA-N 0 3 351.451 -0.443 20 0 FBADHN CN(CCNC(=O)NCCS(=O)(=O)N1CCSCC1)C1CC1 ZINC000491829485 485189522 /nfs/dbraw/zinc/18/95/22/485189522.db2.gz CJUPSKXFJRIGST-UHFFFAOYSA-N 0 3 350.510 -0.242 20 0 FBADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000491870544 485189933 /nfs/dbraw/zinc/18/99/33/485189933.db2.gz XOJCSGUEEVYVII-CABCVRRESA-N 0 3 356.492 -0.597 20 0 FBADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000491870545 485190341 /nfs/dbraw/zinc/19/03/41/485190341.db2.gz XOJCSGUEEVYVII-GJZGRUSLSA-N 0 3 356.492 -0.597 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000491870548 485190452 /nfs/dbraw/zinc/19/04/52/485190452.db2.gz XOJCSGUEEVYVII-HUUCEWRRSA-N 0 3 356.492 -0.597 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000491870551 485190364 /nfs/dbraw/zinc/19/03/64/485190364.db2.gz XOJCSGUEEVYVII-LSDHHAIUSA-N 0 3 356.492 -0.597 20 0 FBADHN CN(CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1CC1 ZINC000491884123 485190596 /nfs/dbraw/zinc/19/05/96/485190596.db2.gz AXNCADIKNBZMMM-AWEZNQCLSA-N 0 3 362.496 -0.132 20 0 FBADHN CN(CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C1CC1 ZINC000491884146 485190189 /nfs/dbraw/zinc/19/01/89/485190189.db2.gz AXNCADIKNBZMMM-CQSZACIVSA-N 0 3 362.496 -0.132 20 0 FBADHN Cn1c(=O)c2cc(NC(=O)NCCNc3ccncc3)cnc2n(C)c1=O ZINC000492036413 485190781 /nfs/dbraw/zinc/19/07/81/485190781.db2.gz ZMJOZQIMTYCYBO-UHFFFAOYSA-N 0 3 369.385 -0.317 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)nc1 ZINC000492207141 485191477 /nfs/dbraw/zinc/19/14/77/485191477.db2.gz DAGFKZGTWYOUBW-UHFFFAOYSA-N 0 3 363.462 -0.198 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCS(C)(=O)=O ZINC000492253689 485192601 /nfs/dbraw/zinc/19/26/01/485192601.db2.gz QOGLVAGATZWJGU-CYBMUJFWSA-N 0 3 362.496 -0.337 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCS(C)(=O)=O ZINC000492253714 485193186 /nfs/dbraw/zinc/19/31/86/485193186.db2.gz QOGLVAGATZWJGU-ZDUSSCGKSA-N 0 3 362.496 -0.337 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCS(C)(=O)=O)CC1 ZINC000492376905 485193798 /nfs/dbraw/zinc/19/37/98/485193798.db2.gz PJONXEUKTVNBMO-UHFFFAOYSA-N 0 3 362.496 -0.383 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](CO)OC[C@H]2C)CC1=O ZINC000492395086 485193638 /nfs/dbraw/zinc/19/36/38/485193638.db2.gz KUBVESFKSGQEHN-FPCVCCKLSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](CO)OC[C@@H]2C)CC1=O ZINC000492395094 485194290 /nfs/dbraw/zinc/19/42/90/485194290.db2.gz KUBVESFKSGQEHN-JJXSEGSLSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](CO)OC[C@H]2C)CC1=O ZINC000492395096 485194145 /nfs/dbraw/zinc/19/41/45/485194145.db2.gz KUBVESFKSGQEHN-KLHDSHLOSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](CO)OC[C@@H]2C)CC1=O ZINC000492395099 485193942 /nfs/dbraw/zinc/19/39/42/485193942.db2.gz KUBVESFKSGQEHN-ZJIFWQFVSA-N 0 3 353.463 -0.073 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCc2ccc(F)cn2)CC1(C)C ZINC000492422482 485193922 /nfs/dbraw/zinc/19/39/22/485193922.db2.gz KDXUVWQVIFXGJJ-UHFFFAOYSA-N 0 3 351.426 -0.021 20 0 FBADHN COCCN(C)CCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000492599410 485195433 /nfs/dbraw/zinc/19/54/33/485195433.db2.gz CSDZSBHJQHOGFK-CHWSQXEVSA-N 0 3 350.485 -0.276 20 0 FBADHN COCCN(C)CCNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000492599411 485195393 /nfs/dbraw/zinc/19/53/93/485195393.db2.gz CSDZSBHJQHOGFK-OLZOCXBDSA-N 0 3 350.485 -0.276 20 0 FBADHN 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485203919 /nfs/dbraw/zinc/20/39/19/485203919.db2.gz PCTOFUANWRLJNP-QXSJWSMHSA-N 0 3 373.519 -0.137 20 0 FBADHN C[C@@H]1CNC[C@H](C)N1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000493897560 485204212 /nfs/dbraw/zinc/20/42/12/485204212.db2.gz PCTOFUANWRLJNP-XUWVNRHRSA-N 0 3 373.519 -0.137 20 0 FBADHN CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)C ZINC000494204891 485207474 /nfs/dbraw/zinc/20/74/74/485207474.db2.gz MQZPBEKNSGADTL-OLZOCXBDSA-N 0 3 358.508 -0.277 20 0 FBADHN CSCC[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)C ZINC000494204892 485207222 /nfs/dbraw/zinc/20/72/22/485207222.db2.gz MQZPBEKNSGADTL-STQMWFEESA-N 0 3 358.508 -0.277 20 0 FBADHN CC(C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000494530721 485211947 /nfs/dbraw/zinc/21/19/47/485211947.db2.gz JODZDZRAPXREPO-HZSPNIEDSA-N 0 3 362.496 -0.532 20 0 FBADHN CC(C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000494530722 485211786 /nfs/dbraw/zinc/21/17/86/485211786.db2.gz 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CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494672931 485214730 /nfs/dbraw/zinc/21/47/30/485214730.db2.gz IUENMKRRMVKYDV-HUUCEWRRSA-N 0 3 350.419 -0.380 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000494674791 485213872 /nfs/dbraw/zinc/21/38/72/485213872.db2.gz RBABQIWBEJFFEO-UHFFFAOYSA-N 0 3 363.418 -0.031 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccncc1OCCN(C)C ZINC000494687033 485214253 /nfs/dbraw/zinc/21/42/53/485214253.db2.gz BIGGWPCRWJMCBJ-BLLLJJGKSA-N 0 3 364.446 -0.086 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccncc1OCCN(C)C ZINC000494687034 485214565 /nfs/dbraw/zinc/21/45/65/485214565.db2.gz BIGGWPCRWJMCBJ-LRDDRELGSA-N 0 3 364.446 -0.086 20 0 FBADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccncc1OCCN(C)C ZINC000494687035 485214386 /nfs/dbraw/zinc/21/43/86/485214386.db2.gz BIGGWPCRWJMCBJ-MLGOLLRUSA-N 0 3 364.446 -0.086 20 0 FBADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccncc1OCCN(C)C ZINC000494687036 485214851 /nfs/dbraw/zinc/21/48/51/485214851.db2.gz BIGGWPCRWJMCBJ-WBMJQRKESA-N 0 3 364.446 -0.086 20 0 FBADHN CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccncc1OCCN(C)C ZINC000494689190 485214241 /nfs/dbraw/zinc/21/42/41/485214241.db2.gz ZNPVRKPXBWCNFQ-AWEZNQCLSA-N 0 3 352.435 -0.229 20 0 FBADHN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494689862 485214623 /nfs/dbraw/zinc/21/46/23/485214623.db2.gz IUENMKRRMVKYDV-LSDHHAIUSA-N 0 3 350.419 -0.380 20 0 FBADHN CC(C)[C@@H](N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000494700261 485214441 /nfs/dbraw/zinc/21/44/41/485214441.db2.gz VIIRQYOMJRXSNS-OAHLLOKOSA-N 0 3 369.491 -0.367 20 0 FBADHN COC(=O)c1cn(CC(=O)NCc2ccncc2OCCN(C)C)nn1 ZINC000494738277 485215727 /nfs/dbraw/zinc/21/57/27/485215727.db2.gz XKIIRRGSHSTLBJ-UHFFFAOYSA-N 0 3 362.390 -0.284 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)CCS(=O)(=O)N(C)C ZINC000494746941 485215345 /nfs/dbraw/zinc/21/53/45/485215345.db2.gz RJLAJEUTGGKUJI-UHFFFAOYSA-N 0 3 358.464 -0.080 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(N)CCCC2)c1 ZINC000494863321 485217047 /nfs/dbraw/zinc/21/70/47/485217047.db2.gz HYICDJULQRGDLC-UHFFFAOYSA-N 0 3 354.432 -0.079 20 0 FBADHN Cn1nnc(CNC(=O)NCCCN2CCN(c3ccncc3)CC2)n1 ZINC000494866061 485216482 /nfs/dbraw/zinc/21/64/82/485216482.db2.gz RNBUEQALENIUGZ-UHFFFAOYSA-N 0 3 359.438 -0.383 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)NCc2nnn(C)n2)c1 ZINC000494906673 485217376 /nfs/dbraw/zinc/21/73/76/485217376.db2.gz XGPAQWYHSQRYHP-UHFFFAOYSA-N 0 3 360.422 -0.499 20 0 FBADHN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCOC1 ZINC000494987631 485218569 /nfs/dbraw/zinc/21/85/69/485218569.db2.gz VETCSVDAXAKJAQ-AWEZNQCLSA-N 0 3 355.460 -0.039 20 0 FBADHN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCOC1 ZINC000494987632 485219444 /nfs/dbraw/zinc/21/94/44/485219444.db2.gz VETCSVDAXAKJAQ-CQSZACIVSA-N 0 3 355.460 -0.039 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)nn1 ZINC000495084584 485219994 /nfs/dbraw/zinc/21/99/94/485219994.db2.gz HKEGUZRXPPFXCM-HNNXBMFYSA-N 0 3 374.445 -0.698 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)nn1 ZINC000495084610 485220309 /nfs/dbraw/zinc/22/03/09/485220309.db2.gz HKEGUZRXPPFXCM-OAHLLOKOSA-N 0 3 374.445 -0.698 20 0 FBADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000495158442 485221669 /nfs/dbraw/zinc/22/16/69/485221669.db2.gz PNFVTGZSYUUCOO-CHWSQXEVSA-N 0 3 372.466 -0.147 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000495158444 485221646 /nfs/dbraw/zinc/22/16/46/485221646.db2.gz PNFVTGZSYUUCOO-OLZOCXBDSA-N 0 3 372.466 -0.147 20 0 FBADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000495158445 485221578 /nfs/dbraw/zinc/22/15/78/485221578.db2.gz PNFVTGZSYUUCOO-QWHCGFSZSA-N 0 3 372.466 -0.147 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000495158447 485221376 /nfs/dbraw/zinc/22/13/76/485221376.db2.gz PNFVTGZSYUUCOO-STQMWFEESA-N 0 3 372.466 -0.147 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000495196814 485221705 /nfs/dbraw/zinc/22/17/05/485221705.db2.gz VMZYXAFWKYAWIS-AGIUHOORSA-N 0 3 358.439 -0.537 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000495196815 485221417 /nfs/dbraw/zinc/22/14/17/485221417.db2.gz VMZYXAFWKYAWIS-AVGNSLFASA-N 0 3 358.439 -0.537 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000495196816 485220893 /nfs/dbraw/zinc/22/08/93/485220893.db2.gz VMZYXAFWKYAWIS-FRRDWIJNSA-N 0 3 358.439 -0.537 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000495196817 485221660 /nfs/dbraw/zinc/22/16/60/485221660.db2.gz VMZYXAFWKYAWIS-RWMBFGLXSA-N 0 3 358.439 -0.537 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000495198939 485220981 /nfs/dbraw/zinc/22/09/81/485220981.db2.gz CPFOVUHSEWUXKB-CABCVRRESA-N 0 3 362.430 -0.373 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000495198940 485221389 /nfs/dbraw/zinc/22/13/89/485221389.db2.gz CPFOVUHSEWUXKB-GJZGRUSLSA-N 0 3 362.430 -0.373 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000495198941 485221467 /nfs/dbraw/zinc/22/14/67/485221467.db2.gz CPFOVUHSEWUXKB-HUUCEWRRSA-N 0 3 362.430 -0.373 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000495198942 485221594 /nfs/dbraw/zinc/22/15/94/485221594.db2.gz CPFOVUHSEWUXKB-LSDHHAIUSA-N 0 3 362.430 -0.373 20 0 FBADHN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000495233183 485221492 /nfs/dbraw/zinc/22/14/92/485221492.db2.gz UZFYCBSSMQCOQL-CRAIPNDOSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000495233184 485222614 /nfs/dbraw/zinc/22/26/14/485222614.db2.gz UZFYCBSSMQCOQL-MAUKXSAKSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000495233185 485222589 /nfs/dbraw/zinc/22/25/89/485222589.db2.gz UZFYCBSSMQCOQL-QAPCUYQASA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000495233186 485222251 /nfs/dbraw/zinc/22/22/51/485222251.db2.gz UZFYCBSSMQCOQL-YJBOKZPZSA-N 0 3 354.495 -0.298 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)N(C)[C@H]2CCN(C)C2=O)CC1 ZINC000495343500 485222933 /nfs/dbraw/zinc/22/29/33/485222933.db2.gz PZBVPVHEJXCYSM-AWEZNQCLSA-N 0 3 353.467 -0.199 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)N(C)[C@@H]2CCN(C)C2=O)CC1 ZINC000495343501 485222285 /nfs/dbraw/zinc/22/22/85/485222285.db2.gz PZBVPVHEJXCYSM-CQSZACIVSA-N 0 3 353.467 -0.199 20 0 FBADHN COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000495436591 485224289 /nfs/dbraw/zinc/22/42/89/485224289.db2.gz SRFWDCPIAXIXFR-ROUUACIJSA-N 0 3 374.485 -0.134 20 0 FBADHN COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000495436592 485223570 /nfs/dbraw/zinc/22/35/70/485223570.db2.gz SRFWDCPIAXIXFR-ZWKOTPCHSA-N 0 3 374.485 -0.134 20 0 FBADHN CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C1(CCO)CCOCC1 ZINC000495445306 485223441 /nfs/dbraw/zinc/22/34/41/485223441.db2.gz SVIXWVNIVLSZLK-UHFFFAOYSA-N 0 3 353.463 -0.069 20 0 FBADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)c1 ZINC000495445668 485224578 /nfs/dbraw/zinc/22/45/78/485224578.db2.gz YPQUPKILCILPMX-UHFFFAOYSA-N 0 3 373.456 -0.141 20 0 FBADHN NC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000495470889 485226146 /nfs/dbraw/zinc/22/61/46/485226146.db2.gz RFGGEEDPURKDGE-UHFFFAOYSA-N 0 3 367.427 -0.218 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2CCN(CC)C(=O)C2=O)CC1 ZINC000495563960 485225424 /nfs/dbraw/zinc/22/54/24/485225424.db2.gz GZTYLHCGOPNDMC-HNNXBMFYSA-N 0 3 367.494 -0.933 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CN2CCN(CC)C(=O)C2=O)CC1 ZINC000495563961 485225280 /nfs/dbraw/zinc/22/52/80/485225280.db2.gz GZTYLHCGOPNDMC-OAHLLOKOSA-N 0 3 367.494 -0.933 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000495566346 485226110 /nfs/dbraw/zinc/22/61/10/485226110.db2.gz VRTXMYCTUXZUOW-CQSZACIVSA-N 0 3 353.467 -0.292 20 0 FBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H]1N(C)C ZINC000495580472 485225350 /nfs/dbraw/zinc/22/53/50/485225350.db2.gz KFHQDZKNVBPSHK-NEPJUHHUSA-N 0 3 361.493 -0.798 20 0 FBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H]1N(C)C ZINC000495580473 485225436 /nfs/dbraw/zinc/22/54/36/485225436.db2.gz KFHQDZKNVBPSHK-NWDGAFQWSA-N 0 3 361.493 -0.798 20 0 FBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H]1N(C)C ZINC000495580474 485226166 /nfs/dbraw/zinc/22/61/66/485226166.db2.gz KFHQDZKNVBPSHK-RYUDHWBXSA-N 0 3 361.493 -0.798 20 0 FBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H]1N(C)C ZINC000495580475 485225843 /nfs/dbraw/zinc/22/58/43/485225843.db2.gz KFHQDZKNVBPSHK-VXGBXAGGSA-N 0 3 361.493 -0.798 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)CN(C)CC(=O)NC(C)C)CC1 ZINC000495591896 485225174 /nfs/dbraw/zinc/22/51/74/485225174.db2.gz BERDIYJJEVIORB-INIZCTEOSA-N 0 3 355.527 -0.167 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CN(C)CC(=O)NC(C)C)CC1 ZINC000495591899 485227701 /nfs/dbraw/zinc/22/77/01/485227701.db2.gz BERDIYJJEVIORB-MRXNPFEDSA-N 0 3 355.527 -0.167 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000495618689 485227084 /nfs/dbraw/zinc/22/70/84/485227084.db2.gz KLTFTPCGKPRLGU-CYBMUJFWSA-N 0 3 353.467 -0.293 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000495618691 485226549 /nfs/dbraw/zinc/22/65/49/485226549.db2.gz KLTFTPCGKPRLGU-ZDUSSCGKSA-N 0 3 353.467 -0.293 20 0 FBADHN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC(=O)N2CCNCC2)n[nH]1 ZINC000495658861 485226963 /nfs/dbraw/zinc/22/69/63/485226963.db2.gz SCBMHMSDAWCVSW-UHFFFAOYSA-N 0 3 359.434 -0.069 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000495659364 485227211 /nfs/dbraw/zinc/22/72/11/485227211.db2.gz WBJANCLASBZKLD-KRWDZBQOSA-N 0 3 360.458 -0.222 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000495659365 485227149 /nfs/dbraw/zinc/22/71/49/485227149.db2.gz WBJANCLASBZKLD-QGZVFWFLSA-N 0 3 360.458 -0.222 20 0 FBADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000495667168 485226774 /nfs/dbraw/zinc/22/67/74/485226774.db2.gz GFKOIMXYIKEQDF-GFCCVEGCSA-N 0 3 372.429 -0.429 20 0 FBADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000495667176 485227410 /nfs/dbraw/zinc/22/74/10/485227410.db2.gz GFKOIMXYIKEQDF-LBPRGKRZSA-N 0 3 372.429 -0.429 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000495668357 485227246 /nfs/dbraw/zinc/22/72/46/485227246.db2.gz DLLDMHVDUYSUFK-NEPJUHHUSA-N 0 3 353.510 -0.554 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000495668358 485226902 /nfs/dbraw/zinc/22/69/02/485226902.db2.gz DLLDMHVDUYSUFK-NWDGAFQWSA-N 0 3 353.510 -0.554 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000495668359 485227262 /nfs/dbraw/zinc/22/72/62/485227262.db2.gz DLLDMHVDUYSUFK-RYUDHWBXSA-N 0 3 353.510 -0.554 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000495668360 485227473 /nfs/dbraw/zinc/22/74/73/485227473.db2.gz DLLDMHVDUYSUFK-VXGBXAGGSA-N 0 3 353.510 -0.554 20 0 FBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@H]1N(C)C ZINC000495681596 485227272 /nfs/dbraw/zinc/22/72/72/485227272.db2.gz JVEQHBZYCFGWMA-CHWSQXEVSA-N 0 3 367.537 -0.165 20 0 FBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@H]1N(C)C ZINC000495681597 485226858 /nfs/dbraw/zinc/22/68/58/485226858.db2.gz JVEQHBZYCFGWMA-OLZOCXBDSA-N 0 3 367.537 -0.165 20 0 FBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@@H]1N(C)C ZINC000495681598 485226815 /nfs/dbraw/zinc/22/68/15/485226815.db2.gz JVEQHBZYCFGWMA-QWHCGFSZSA-N 0 3 367.537 -0.165 20 0 FBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@@H]1N(C)C ZINC000495681599 485226514 /nfs/dbraw/zinc/22/65/14/485226514.db2.gz JVEQHBZYCFGWMA-STQMWFEESA-N 0 3 367.537 -0.165 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000495683616 485227649 /nfs/dbraw/zinc/22/76/49/485227649.db2.gz XJGCEJMDBBZCEC-CVEARBPZSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000495683618 485226786 /nfs/dbraw/zinc/22/67/86/485226786.db2.gz XJGCEJMDBBZCEC-HOTGVXAUSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000495683619 485227426 /nfs/dbraw/zinc/22/74/26/485227426.db2.gz XJGCEJMDBBZCEC-HZPDHXFCSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000495683620 485226700 /nfs/dbraw/zinc/22/67/00/485226700.db2.gz XJGCEJMDBBZCEC-JKSUJKDBSA-N 0 3 354.495 -0.129 20 0 FBADHN C[C@@H](CNC(=O)CSCC(=O)N1CCOCC1)CN1CCN(C)CC1 ZINC000495696427 485228967 /nfs/dbraw/zinc/22/89/67/485228967.db2.gz KPMVRHDWYBSWHZ-HNNXBMFYSA-N 0 3 372.535 -0.422 20 0 FBADHN C[C@H](CNC(=O)CSCC(=O)N1CCOCC1)CN1CCN(C)CC1 ZINC000495696428 485228437 /nfs/dbraw/zinc/22/84/37/485228437.db2.gz KPMVRHDWYBSWHZ-OAHLLOKOSA-N 0 3 372.535 -0.422 20 0 FBADHN CN(CC(=O)N1CCNCC1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000495700543 485228290 /nfs/dbraw/zinc/22/82/90/485228290.db2.gz 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485230841 /nfs/dbraw/zinc/23/08/41/485230841.db2.gz XDRNGOODGKKCGW-QWHCGFSZSA-N 0 3 350.485 -0.276 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496174112 485230444 /nfs/dbraw/zinc/23/04/44/485230444.db2.gz XDRNGOODGKKCGW-STQMWFEESA-N 0 3 350.485 -0.276 20 0 FBADHN CCCN(CCN(C)C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000496209400 485230931 /nfs/dbraw/zinc/23/09/31/485230931.db2.gz FHKMUTBSUMIHTO-INIZCTEOSA-N 0 3 354.495 -0.033 20 0 FBADHN CCCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000496209401 485231254 /nfs/dbraw/zinc/23/12/54/485231254.db2.gz FHKMUTBSUMIHTO-MRXNPFEDSA-N 0 3 354.495 -0.033 20 0 FBADHN CCCN(CCN(C)C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000496241805 485231287 /nfs/dbraw/zinc/23/12/87/485231287.db2.gz DGOMXNQKGSFTNY-KBPBESRZSA-N 0 3 359.492 -0.178 20 0 FBADHN CCCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000496241809 485230715 /nfs/dbraw/zinc/23/07/15/485230715.db2.gz DGOMXNQKGSFTNY-KGLIPLIRSA-N 0 3 359.492 -0.178 20 0 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/nfs/dbraw/zinc/23/35/12/485233512.db2.gz OFTIYXLPDQEUFC-HOCLYGCPSA-N 0 3 365.522 -0.273 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496284460 485232455 /nfs/dbraw/zinc/23/24/55/485232455.db2.gz OFTIYXLPDQEUFC-ZBFHGGJFSA-N 0 3 365.522 -0.273 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCc2ccnc3ccnn32)CC1(C)C ZINC000496284770 485232190 /nfs/dbraw/zinc/23/21/90/485232190.db2.gz PFJLHQCACAUSNF-UHFFFAOYSA-N 0 3 373.461 -0.512 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCOC[C@H]2C2CC2)CC1(C)C ZINC000496284804 485232826 /nfs/dbraw/zinc/23/28/26/485232826.db2.gz PLJJDEAUJODYTB-HNNXBMFYSA-N 0 3 352.479 -0.234 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCOC[C@@H]2C2CC2)CC1(C)C ZINC000496284807 485233025 /nfs/dbraw/zinc/23/30/25/485233025.db2.gz PLJJDEAUJODYTB-OAHLLOKOSA-N 0 3 352.479 -0.234 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]2C(C)(C)O)CC1(C)C ZINC000496286321 485232303 /nfs/dbraw/zinc/23/23/03/485232303.db2.gz TXPSFBPHOXFXTA-AWEZNQCLSA-N 0 3 354.495 -0.110 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C(C)(C)O)CC1(C)C ZINC000496286322 485233007 /nfs/dbraw/zinc/23/30/07/485233007.db2.gz TXPSFBPHOXFXTA-CQSZACIVSA-N 0 3 354.495 -0.110 20 0 FBADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496287792 485232291 /nfs/dbraw/zinc/23/22/91/485232291.db2.gz XJUFKGWGODDCCN-CABCVRRESA-N 0 3 354.495 -0.252 20 0 FBADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496287793 485233447 /nfs/dbraw/zinc/23/34/47/485233447.db2.gz XJUFKGWGODDCCN-GJZGRUSLSA-N 0 3 354.495 -0.252 20 0 FBADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496287794 485233782 /nfs/dbraw/zinc/23/37/82/485233782.db2.gz XJUFKGWGODDCCN-HUUCEWRRSA-N 0 3 354.495 -0.252 20 0 FBADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496287795 485233172 /nfs/dbraw/zinc/23/31/72/485233172.db2.gz XJUFKGWGODDCCN-LSDHHAIUSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCCN1C ZINC000496299077 485231805 /nfs/dbraw/zinc/23/18/05/485231805.db2.gz AIYDXOSNQAYLES-CABCVRRESA-N 0 3 353.511 -0.273 20 0 FBADHN C[C@H]1[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCCN1C ZINC000496299082 485233353 /nfs/dbraw/zinc/23/33/53/485233353.db2.gz AIYDXOSNQAYLES-GJZGRUSLSA-N 0 3 353.511 -0.273 20 0 FBADHN C[C@@H]1[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCCN1C ZINC000496299084 485231840 /nfs/dbraw/zinc/23/18/40/485231840.db2.gz AIYDXOSNQAYLES-HUUCEWRRSA-N 0 3 353.511 -0.273 20 0 FBADHN C[C@H]1[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCCN1C ZINC000496299085 485232616 /nfs/dbraw/zinc/23/26/16/485232616.db2.gz AIYDXOSNQAYLES-LSDHHAIUSA-N 0 3 353.511 -0.273 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N(CC(C)(C)O)C2CC2)CC1(C)C ZINC000496300174 485232719 /nfs/dbraw/zinc/23/27/19/485232719.db2.gz BLOMTUBMMJUVRL-UHFFFAOYSA-N 0 3 354.495 -0.110 20 0 FBADHN Cn1ccc(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000496301499 485232419 /nfs/dbraw/zinc/23/24/19/485232419.db2.gz CTXWZFLCYSSTGU-UHFFFAOYSA-N 0 3 350.467 -0.779 20 0 FBADHN CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496306068 485233199 /nfs/dbraw/zinc/23/31/99/485233199.db2.gz HXPGWSVYAXBSLE-AWEZNQCLSA-N 0 3 370.494 -0.071 20 0 FBADHN CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496306080 485233738 /nfs/dbraw/zinc/23/37/38/485233738.db2.gz HXPGWSVYAXBSLE-CQSZACIVSA-N 0 3 370.494 -0.071 20 0 FBADHN CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCCC[C@H]1O ZINC000496307225 485231949 /nfs/dbraw/zinc/23/19/49/485231949.db2.gz JBPRRMMGCNHRIR-HUUCEWRRSA-N 0 3 354.495 -0.110 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)CC1(C)C ZINC000496309599 485232923 /nfs/dbraw/zinc/23/29/23/485232923.db2.gz LCVREXYNBFBNTD-CABCVRRESA-N 0 3 354.495 -0.204 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]2CCO)CC1(C)C ZINC000496309602 485232649 /nfs/dbraw/zinc/23/26/49/485232649.db2.gz LCVREXYNBFBNTD-GJZGRUSLSA-N 0 3 354.495 -0.204 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1(C)C ZINC000496309603 485232033 /nfs/dbraw/zinc/23/20/33/485232033.db2.gz LCVREXYNBFBNTD-HUUCEWRRSA-N 0 3 354.495 -0.204 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)CC1(C)C ZINC000496309604 485232533 /nfs/dbraw/zinc/23/25/33/485232533.db2.gz LCVREXYNBFBNTD-LSDHHAIUSA-N 0 3 354.495 -0.204 20 0 FBADHN CCN1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](C)C1=O ZINC000496311572 485231970 /nfs/dbraw/zinc/23/19/70/485231970.db2.gz NDCHOQIRIFOKMW-AWEZNQCLSA-N 0 3 367.494 -0.792 20 0 FBADHN CCN1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H](C)C1=O ZINC000496311577 485232332 /nfs/dbraw/zinc/23/23/32/485232332.db2.gz NDCHOQIRIFOKMW-CQSZACIVSA-N 0 3 367.494 -0.792 20 0 FBADHN CC1=CCN(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496316450 485233644 /nfs/dbraw/zinc/23/36/44/485233644.db2.gz WEIOVAXZBMSZKX-UHFFFAOYSA-N 0 3 365.522 -0.103 20 0 FBADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496322077 485231913 /nfs/dbraw/zinc/23/19/13/485231913.db2.gz GAHKWLLYPXZEEO-CABCVRRESA-N 0 3 370.494 -0.561 20 0 FBADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496322078 485232052 /nfs/dbraw/zinc/23/20/52/485232052.db2.gz GAHKWLLYPXZEEO-GJZGRUSLSA-N 0 3 370.494 -0.561 20 0 FBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496322079 485231898 /nfs/dbraw/zinc/23/18/98/485231898.db2.gz GAHKWLLYPXZEEO-HUUCEWRRSA-N 0 3 370.494 -0.561 20 0 FBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496322080 485232588 /nfs/dbraw/zinc/23/25/88/485232588.db2.gz GAHKWLLYPXZEEO-LSDHHAIUSA-N 0 3 370.494 -0.561 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1C ZINC000496322984 485232576 /nfs/dbraw/zinc/23/25/76/485232576.db2.gz HHYXDJBXUILAKB-INIZCTEOSA-N 0 3 367.538 -0.073 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1C ZINC000496322986 485231879 /nfs/dbraw/zinc/23/18/79/485231879.db2.gz HHYXDJBXUILAKB-MRXNPFEDSA-N 0 3 367.538 -0.073 20 0 FBADHN COCCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCOC1 ZINC000496324238 485233231 /nfs/dbraw/zinc/23/32/31/485233231.db2.gz IQBGCESVBYBNHR-HNNXBMFYSA-N 0 3 370.494 -0.608 20 0 FBADHN COCCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000496324239 485232525 /nfs/dbraw/zinc/23/25/25/485232525.db2.gz IQBGCESVBYBNHR-OAHLLOKOSA-N 0 3 370.494 -0.608 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1(C)C ZINC000496325373 485233794 /nfs/dbraw/zinc/23/37/94/485233794.db2.gz JPHBDWNXDAPPHS-RUZDIDTESA-N 0 3 372.535 -0.454 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1(C)C ZINC000496325376 485232945 /nfs/dbraw/zinc/23/29/45/485232945.db2.gz JPHBDWNXDAPPHS-VWLOTQADSA-N 0 3 372.535 -0.454 20 0 FBADHN CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496327652 485232350 /nfs/dbraw/zinc/23/23/50/485232350.db2.gz MHZCYFBEUVWIRV-LLVKDONJSA-N 0 3 368.400 -0.490 20 0 FBADHN CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496327659 485232475 /nfs/dbraw/zinc/23/24/75/485232475.db2.gz MHZCYFBEUVWIRV-NSHDSACASA-N 0 3 368.400 -0.490 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC1(C)C ZINC000496328471 485232238 /nfs/dbraw/zinc/23/22/38/485232238.db2.gz MRXOKQLNHRRRIH-GOSISDBHSA-N 0 3 352.479 -0.498 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC1(C)C ZINC000496328473 485232073 /nfs/dbraw/zinc/23/20/73/485232073.db2.gz MRXOKQLNHRRRIH-SFHVURJKSA-N 0 3 352.479 -0.498 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1(C)C ZINC000496330351 485232156 /nfs/dbraw/zinc/23/21/56/485232156.db2.gz OOQCSRLXMFYYTJ-HNNXBMFYSA-N 0 3 352.479 -0.234 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1(C)C ZINC000496330367 485232769 /nfs/dbraw/zinc/23/27/69/485232769.db2.gz OOQCSRLXMFYYTJ-OAHLLOKOSA-N 0 3 352.479 -0.234 20 0 FBADHN CC[C@]1(CO)CCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496333163 485235160 /nfs/dbraw/zinc/23/51/60/485235160.db2.gz SBNVAMCQFUVGBM-GOSISDBHSA-N 0 3 354.495 -0.108 20 0 FBADHN CC[C@@]1(CO)CCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496333169 485234511 /nfs/dbraw/zinc/23/45/11/485234511.db2.gz SBNVAMCQFUVGBM-SFHVURJKSA-N 0 3 354.495 -0.108 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1=O ZINC000496333782 485234792 /nfs/dbraw/zinc/23/47/92/485234792.db2.gz TXEFPJXPNJKYIL-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000496334314 485235127 /nfs/dbraw/zinc/23/51/27/485235127.db2.gz UUKILBFQVXYIAP-CABCVRRESA-N 0 3 370.494 -0.561 20 0 FBADHN COC[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000496334315 485234315 /nfs/dbraw/zinc/23/43/15/485234315.db2.gz UUKILBFQVXYIAP-GJZGRUSLSA-N 0 3 370.494 -0.561 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCCO1 ZINC000496334316 485234335 /nfs/dbraw/zinc/23/43/35/485234335.db2.gz UUKILBFQVXYIAP-HUUCEWRRSA-N 0 3 370.494 -0.561 20 0 FBADHN COC[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCCO1 ZINC000496334317 485235170 /nfs/dbraw/zinc/23/51/70/485235170.db2.gz UUKILBFQVXYIAP-LSDHHAIUSA-N 0 3 370.494 -0.561 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496334622 485234456 /nfs/dbraw/zinc/23/44/56/485234456.db2.gz WCIFJSRBMWWTDF-GOSISDBHSA-N 0 3 367.494 -0.887 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496334623 485235087 /nfs/dbraw/zinc/23/50/87/485235087.db2.gz WCIFJSRBMWWTDF-SFHVURJKSA-N 0 3 367.494 -0.887 20 0 FBADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496334635 485235297 /nfs/dbraw/zinc/23/52/97/485235297.db2.gz WFSLITHNGDENBH-CYBMUJFWSA-N 0 3 363.466 -0.677 20 0 FBADHN C[C@H]1c2nncn2CCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496334636 485234200 /nfs/dbraw/zinc/23/42/00/485234200.db2.gz WFSLITHNGDENBH-ZDUSSCGKSA-N 0 3 363.466 -0.677 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N(CCO)CC(F)F)CC1(C)C ZINC000496334858 485235225 /nfs/dbraw/zinc/23/52/25/485235225.db2.gz XEPLQLICZWURHU-UHFFFAOYSA-N 0 3 350.410 -0.785 20 0 FBADHN CC(C)C[C@@H](CO)N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496335098 485234146 /nfs/dbraw/zinc/23/41/46/485234146.db2.gz ZLXMVPXHNVTERK-HNNXBMFYSA-N 0 3 356.511 -0.006 20 0 FBADHN CC(C)C[C@H](CO)N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496335099 485233992 /nfs/dbraw/zinc/23/39/92/485233992.db2.gz ZLXMVPXHNVTERK-OAHLLOKOSA-N 0 3 356.511 -0.006 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496335135 485234833 /nfs/dbraw/zinc/23/48/33/485234833.db2.gz ZUUPMKIOQOQTOG-CABCVRRESA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC000496335136 485234590 /nfs/dbraw/zinc/23/45/90/485234590.db2.gz ZUUPMKIOQOQTOG-GJZGRUSLSA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496335137 485234630 /nfs/dbraw/zinc/23/46/30/485234630.db2.gz ZUUPMKIOQOQTOG-HUUCEWRRSA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC000496335138 485235234 /nfs/dbraw/zinc/23/52/34/485235234.db2.gz ZUUPMKIOQOQTOG-LSDHHAIUSA-N 0 3 370.494 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COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000499758846 485261916 /nfs/dbraw/zinc/26/19/16/485261916.db2.gz HCZPBSNXMNRZJS-UONOGXRCSA-N 0 3 370.450 -0.440 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000499758848 485261868 /nfs/dbraw/zinc/26/18/68/485261868.db2.gz HCZPBSNXMNRZJS-ZIAGYGMSSA-N 0 3 370.450 -0.440 20 0 FBADHN COCCN1CCC(NC(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000499771726 485263456 /nfs/dbraw/zinc/26/34/56/485263456.db2.gz OJYRLMCWZMHYKP-AWEZNQCLSA-N 0 3 370.450 -0.440 20 0 FBADHN COCCN1CCC(NC(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000499771727 485263753 /nfs/dbraw/zinc/26/37/53/485263753.db2.gz OJYRLMCWZMHYKP-CQSZACIVSA-N 0 3 370.450 -0.440 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499775344 485263592 /nfs/dbraw/zinc/26/35/92/485263592.db2.gz AJGUQBHAXVKIBB-DOMZBBRYSA-N 0 3 369.462 -0.347 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499775350 485263580 /nfs/dbraw/zinc/26/35/80/485263580.db2.gz AJGUQBHAXVKIBB-IUODEOHRSA-N 0 3 369.462 -0.347 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499775351 485263672 /nfs/dbraw/zinc/26/36/72/485263672.db2.gz AJGUQBHAXVKIBB-SWLSCSKDSA-N 0 3 369.462 -0.347 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499775353 485263195 /nfs/dbraw/zinc/26/31/95/485263195.db2.gz AJGUQBHAXVKIBB-WFASDCNBSA-N 0 3 369.462 -0.347 20 0 FBADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000499775480 485263354 /nfs/dbraw/zinc/26/33/54/485263354.db2.gz AQAUDGQRUFHAED-HNNXBMFYSA-N 0 3 355.416 -0.036 20 0 FBADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000499775489 485263952 /nfs/dbraw/zinc/26/39/52/485263952.db2.gz AQAUDGQRUFHAED-OAHLLOKOSA-N 0 3 355.416 -0.036 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)n(C)nc1C(F)(F)F ZINC000499782358 485263743 /nfs/dbraw/zinc/26/37/43/485263743.db2.gz QGECQBINJMMMPJ-CYBMUJFWSA-N 0 3 363.340 -0.131 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)n(C)nc1C(F)(F)F ZINC000499782359 485263711 /nfs/dbraw/zinc/26/37/11/485263711.db2.gz QGECQBINJMMMPJ-ZDUSSCGKSA-N 0 3 363.340 -0.131 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@]2(N(C)C)CCSC2)C1=O ZINC000499787852 485263564 /nfs/dbraw/zinc/26/35/64/485263564.db2.gz WKVCFHRRGNVNTQ-BLLLJJGKSA-N 0 3 372.491 -0.113 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@@]2(N(C)C)CCSC2)C1=O ZINC000499787853 485263490 /nfs/dbraw/zinc/26/34/90/485263490.db2.gz WKVCFHRRGNVNTQ-LRDDRELGSA-N 0 3 372.491 -0.113 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@]2(N(C)C)CCSC2)C1=O ZINC000499787854 485263618 /nfs/dbraw/zinc/26/36/18/485263618.db2.gz WKVCFHRRGNVNTQ-MLGOLLRUSA-N 0 3 372.491 -0.113 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@]2(N(C)C)CCSC2)C1=O ZINC000499787855 485263968 /nfs/dbraw/zinc/26/39/68/485263968.db2.gz WKVCFHRRGNVNTQ-WBMJQRKESA-N 0 3 372.491 -0.113 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)C[C@@H](C)O1 ZINC000499829020 484630170 /nfs/dbraw/zinc/63/01/70/484630170.db2.gz OGHDVVPPTFQTNZ-MTNOOBJLSA-N 0 3 369.506 -0.094 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)C[C@H](C)O1 ZINC000499829021 484631769 /nfs/dbraw/zinc/63/17/69/484631769.db2.gz OGHDVVPPTFQTNZ-NTDBWNAOSA-N 0 3 369.506 -0.094 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@](O)(C(=O)N3CCCC3)C2)C[C@H](C)O1 ZINC000499829022 484631509 /nfs/dbraw/zinc/63/15/09/484631509.db2.gz OGHDVVPPTFQTNZ-SFNKJDCFSA-N 0 3 369.506 -0.094 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@](O)(C(=O)N3CCCC3)C2)C[C@@H](C)O1 ZINC000499829023 484631264 /nfs/dbraw/zinc/63/12/64/484631264.db2.gz OGHDVVPPTFQTNZ-YWTNHNAXSA-N 0 3 369.506 -0.094 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)NCc1ccccc1OCCN(C)C ZINC000499838233 485266000 /nfs/dbraw/zinc/26/60/00/485266000.db2.gz HEUITYLKYMCMJV-UHFFFAOYSA-N 0 3 350.419 -0.505 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000499849374 485265357 /nfs/dbraw/zinc/26/53/57/485265357.db2.gz PXFICVJPRKPUQM-AEGPPILISA-N 0 3 368.478 -0.679 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000499849375 485265873 /nfs/dbraw/zinc/26/58/73/485265873.db2.gz PXFICVJPRKPUQM-CFVMTHIKSA-N 0 3 368.478 -0.679 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000499849376 485265887 /nfs/dbraw/zinc/26/58/87/485265887.db2.gz PXFICVJPRKPUQM-NWANDNLSSA-N 0 3 368.478 -0.679 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000499849377 485266040 /nfs/dbraw/zinc/26/60/40/485266040.db2.gz PXFICVJPRKPUQM-QEJZJMRPSA-N 0 3 368.478 -0.679 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499857629 485266013 /nfs/dbraw/zinc/26/60/13/485266013.db2.gz BNHZKIAJGQSZRK-FMKPAKJESA-N 0 3 354.495 -0.348 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499857639 485265949 /nfs/dbraw/zinc/26/59/49/485265949.db2.gz BNHZKIAJGQSZRK-IIAWOOMASA-N 0 3 354.495 -0.348 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499857640 485265922 /nfs/dbraw/zinc/26/59/22/485265922.db2.gz BNHZKIAJGQSZRK-IJEWVQPXSA-N 0 3 354.495 -0.348 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499857644 485265606 /nfs/dbraw/zinc/26/56/06/485265606.db2.gz BNHZKIAJGQSZRK-YCPHGPKFSA-N 0 3 354.495 -0.348 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(C(N)=O)nc2)cn1 ZINC000499866290 485265970 /nfs/dbraw/zinc/26/59/70/485265970.db2.gz BNSXGEXGIZAURK-UHFFFAOYSA-N 0 3 374.405 -0.301 20 0 FBADHN NC(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000499867147 485265548 /nfs/dbraw/zinc/26/55/48/485265548.db2.gz OUXOCWAJLOOCBA-UHFFFAOYSA-N 0 3 360.418 -0.048 20 0 FBADHN COC(=O)CCN1CC[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1=O ZINC000499883140 484245355 /nfs/dbraw/zinc/24/53/55/484245355.db2.gz QXSFUOURSKAJKJ-GFCCVEGCSA-N 0 3 366.422 -0.270 20 0 FBADHN COC(=O)CCN1CC[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1=O ZINC000499883145 484246308 /nfs/dbraw/zinc/24/63/08/484246308.db2.gz QXSFUOURSKAJKJ-LBPRGKRZSA-N 0 3 366.422 -0.270 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2c(I)cnn2C)C1 ZINC000499893096 485265436 /nfs/dbraw/zinc/26/54/36/485265436.db2.gz CMJRZGMYWIGPJJ-LLVKDONJSA-N 0 3 364.187 -0.179 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2c(I)cnn2C)C1 ZINC000499893097 485265664 /nfs/dbraw/zinc/26/56/64/485265664.db2.gz CMJRZGMYWIGPJJ-NSHDSACASA-N 0 3 364.187 -0.179 20 0 FBADHN NC(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cn1 ZINC000499894456 485265674 /nfs/dbraw/zinc/26/56/74/485265674.db2.gz IPBAXXXANNPWRA-UHFFFAOYSA-N 0 3 364.450 -0.308 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000499899627 485265615 /nfs/dbraw/zinc/26/56/15/485265615.db2.gz XAERGAKXBSAPTM-CYBMUJFWSA-N 0 3 352.439 -0.451 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000499899628 485266023 /nfs/dbraw/zinc/26/60/23/485266023.db2.gz XAERGAKXBSAPTM-ZDUSSCGKSA-N 0 3 352.439 -0.451 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000499907446 483756919 /nfs/dbraw/zinc/75/69/19/483756919.db2.gz RPIBMPKOKUPNFS-UHFFFAOYSA-N 0 3 367.450 -0.443 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000499918641 485266885 /nfs/dbraw/zinc/26/68/85/485266885.db2.gz HQEITHZHBWJIEO-CYBMUJFWSA-N 0 3 362.434 -0.301 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000499918642 485266698 /nfs/dbraw/zinc/26/66/98/485266698.db2.gz HQEITHZHBWJIEO-ZDUSSCGKSA-N 0 3 362.434 -0.301 20 0 FBADHN CCN1CCN(CC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C(=O)C1=O ZINC000499923298 485266984 /nfs/dbraw/zinc/26/69/84/485266984.db2.gz UOKXVSVRASKFJJ-AWEZNQCLSA-N 0 3 354.451 -0.754 20 0 FBADHN CCN1CCN(CC(=O)N(CCN(C)C)C[C@H]2CCCO2)C(=O)C1=O ZINC000499923304 485266939 /nfs/dbraw/zinc/26/69/39/485266939.db2.gz UOKXVSVRASKFJJ-CQSZACIVSA-N 0 3 354.451 -0.754 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499970698 485268965 /nfs/dbraw/zinc/26/89/65/485268965.db2.gz UKHGCJGTXYZYNQ-BBRMVZONSA-N 0 3 368.478 -0.725 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499970699 485268774 /nfs/dbraw/zinc/26/87/74/485268774.db2.gz UKHGCJGTXYZYNQ-CJNGLKHVSA-N 0 3 368.478 -0.725 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499970701 485268264 /nfs/dbraw/zinc/26/82/64/485268264.db2.gz UKHGCJGTXYZYNQ-CZUORRHYSA-N 0 3 368.478 -0.725 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499970703 485268876 /nfs/dbraw/zinc/26/88/76/485268876.db2.gz UKHGCJGTXYZYNQ-XJKSGUPXSA-N 0 3 368.478 -0.725 20 0 FBADHN CN(CC(=O)NCCCN1CCN(c2ccncc2)CC1)S(C)(=O)=O ZINC000500002655 485268843 /nfs/dbraw/zinc/26/88/43/485268843.db2.gz TWGLDPIAWQUZHY-UHFFFAOYSA-N 0 3 369.491 -0.399 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000500002805 484632305 /nfs/dbraw/zinc/63/23/05/484632305.db2.gz ULBBNZKPARPPIE-CGSPGFDNSA-N 0 3 365.478 -0.248 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000500002809 484631595 /nfs/dbraw/zinc/63/15/95/484631595.db2.gz ULBBNZKPARPPIE-KQVLKZGSSA-N 0 3 365.478 -0.248 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000500002811 484632393 /nfs/dbraw/zinc/63/23/93/484632393.db2.gz ULBBNZKPARPPIE-VFCJXBEMSA-N 0 3 365.478 -0.248 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000500002813 484631087 /nfs/dbraw/zinc/63/10/87/484631087.db2.gz ULBBNZKPARPPIE-VPKNTQAGSA-N 0 3 365.478 -0.248 20 0 FBADHN O=C(Cn1cccnc1=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000500066249 485270131 /nfs/dbraw/zinc/27/01/31/485270131.db2.gz UPPLGIMJXWWIGZ-UHFFFAOYSA-N 0 3 356.430 -0.033 20 0 FBADHN CCN1CCN(CCC(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CC1 ZINC000500073533 485270841 /nfs/dbraw/zinc/27/08/41/485270841.db2.gz FPCBFIBCJDWCFD-UHFFFAOYSA-N 0 3 350.423 -0.524 20 0 FBADHN CC(C)N1CCN(CCCN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000500095680 485270640 /nfs/dbraw/zinc/27/06/40/485270640.db2.gz GTKJYLGDIIVFNU-INIZCTEOSA-N 0 3 374.551 -0.362 20 0 FBADHN CC(C)N1CCN(CCCN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000500095683 485270656 /nfs/dbraw/zinc/27/06/56/485270656.db2.gz GTKJYLGDIIVFNU-MRXNPFEDSA-N 0 3 374.551 -0.362 20 0 FBADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000500171900 485272033 /nfs/dbraw/zinc/27/20/33/485272033.db2.gz YMHHISSKPYKOLM-ZIAGYGMSSA-N 0 3 366.443 -0.127 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000500244635 485272899 /nfs/dbraw/zinc/27/28/99/485272899.db2.gz INCRIPZKNDBNDE-CYBMUJFWSA-N 0 3 361.512 -0.908 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000500244638 485272885 /nfs/dbraw/zinc/27/28/85/485272885.db2.gz INCRIPZKNDBNDE-ZDUSSCGKSA-N 0 3 361.512 -0.908 20 0 FBADHN C[C@@H](CO)[C@H](C)Nc1nc(N[C@@H](C)[C@H](C)CO)nc(N2CCOCC2)n1 ZINC000500260529 485273613 /nfs/dbraw/zinc/27/36/13/485273613.db2.gz GDRCELJVAIDRCU-CRWXNKLISA-N 0 3 368.482 -0.590 20 0 FBADHN C[C@@H](CO)[C@@H](C)Nc1nc(N[C@@H](C)[C@H](C)CO)nc(N2CCOCC2)n1 ZINC000500260531 485274156 /nfs/dbraw/zinc/27/41/56/485274156.db2.gz GDRCELJVAIDRCU-LVEBTZEWSA-N 0 3 368.482 -0.590 20 0 FBADHN C[C@@H](Nc1nc(N[C@@H](C)[C@H](C)CO)nc(N2CCOCC2)n1)[C@H](C)CO ZINC000500260534 485273763 /nfs/dbraw/zinc/27/37/63/485273763.db2.gz GDRCELJVAIDRCU-SYQHCUMBSA-N 0 3 368.482 -0.590 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NCCCn2ccnn2)Cc2ccccc2C1 ZINC000500267896 485273819 /nfs/dbraw/zinc/27/38/19/485273819.db2.gz UOAXGWXQMRCJPH-UHFFFAOYSA-N 0 3 370.457 0.000 20 0 FBADHN CC[C@@](C)(O)CNc1nc(NC[C@@](C)(O)CC)nc(N2CCOCC2)n1 ZINC000500279209 485274838 /nfs/dbraw/zinc/27/48/38/485274838.db2.gz CDMLFXJRLPDCSO-CALCHBBNSA-N 0 3 368.482 -0.302 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500280843 485274619 /nfs/dbraw/zinc/27/46/19/485274619.db2.gz VRXUJKMPHCFIRB-UHFFFAOYSA-N 0 3 373.417 -0.463 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCCn2ccnn2)CCCO1 ZINC000500286526 485276180 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CN(C)Cc1ccccc1CNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000500319734 485277655 /nfs/dbraw/zinc/27/76/55/485277655.db2.gz BILOFRUGUSHVKS-UHFFFAOYSA-N 0 3 361.489 -0.187 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000500421956 484773215 /nfs/dbraw/zinc/77/32/15/484773215.db2.gz IJQFMFCLXZATNZ-GJVDQKBNSA-N 0 3 365.478 -0.609 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000500421957 484773798 /nfs/dbraw/zinc/77/37/98/484773798.db2.gz IJQFMFCLXZATNZ-GWCDLVAZSA-N 0 3 365.478 -0.609 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000500421958 484773817 /nfs/dbraw/zinc/77/38/17/484773817.db2.gz IJQFMFCLXZATNZ-HSMRXVHUSA-N 0 3 365.478 -0.609 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000500421959 484773159 /nfs/dbraw/zinc/77/31/59/484773159.db2.gz IJQFMFCLXZATNZ-IEHFGQBSSA-N 0 3 365.478 -0.609 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(C)[C@@H](COC)C(N)=O)CC1=O ZINC000500426500 485281315 /nfs/dbraw/zinc/28/13/15/485281315.db2.gz QDYLYKDAUOISEW-IHRRRGAJSA-N 0 3 354.451 -0.722 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H](COC)C(N)=O)CC1=O ZINC000500426501 485280925 /nfs/dbraw/zinc/28/09/25/485280925.db2.gz QDYLYKDAUOISEW-MCIONIFRSA-N 0 3 354.451 -0.722 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H](COC)C(N)=O)CC1=O ZINC000500426502 485280651 /nfs/dbraw/zinc/28/06/51/485280651.db2.gz QDYLYKDAUOISEW-MJBXVCDLSA-N 0 3 354.451 -0.722 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N(C)[C@@H](COC)C(N)=O)CC1=O ZINC000500426503 485281196 /nfs/dbraw/zinc/28/11/96/485281196.db2.gz QDYLYKDAUOISEW-RDBSUJKOSA-N 0 3 354.451 -0.722 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000500427138 485281157 /nfs/dbraw/zinc/28/11/57/485281157.db2.gz QZXVOXDRYXACOZ-UHFFFAOYSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN(CCCNC(=O)C(=O)NCC1(N(C)C)CCC1)S(C)(=O)=O ZINC000500427731 485281060 /nfs/dbraw/zinc/28/10/60/485281060.db2.gz RURVNHFZCABOBZ-UHFFFAOYSA-N 0 3 362.496 -0.625 20 0 FBADHN CCn1nccc1CN(CCO)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500432157 485281098 /nfs/dbraw/zinc/28/10/98/485281098.db2.gz MWOXYYUTWDJSBP-UHFFFAOYSA-N 0 3 351.451 -0.176 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000500432231 485281252 /nfs/dbraw/zinc/28/12/52/485281252.db2.gz BUQCREMRDRYJLN-AWEZNQCLSA-N 0 3 366.462 -0.563 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 ZINC000500432232 485280501 /nfs/dbraw/zinc/28/05/01/485280501.db2.gz BUQCREMRDRYJLN-CQSZACIVSA-N 0 3 366.462 -0.563 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CCC1 ZINC000500432834 485280380 /nfs/dbraw/zinc/28/03/80/485280380.db2.gz QPFYBMMTYBVKHZ-UHFFFAOYSA-N 0 3 350.341 -0.223 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCC1 ZINC000500433163 485281201 /nfs/dbraw/zinc/28/12/01/485281201.db2.gz GOWBHGVPDWEXPU-GFCCVEGCSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCC3(N(C)C)CCC3)C2)CC1 ZINC000500433164 485281306 /nfs/dbraw/zinc/28/13/06/485281306.db2.gz SFWAEHYGGPGYBI-INIZCTEOSA-N 0 3 365.522 -0.175 20 0 FBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCC3(N(C)C)CCC3)C2)CC1 ZINC000500433165 485280999 /nfs/dbraw/zinc/28/09/99/485280999.db2.gz SFWAEHYGGPGYBI-MRXNPFEDSA-N 0 3 365.522 -0.175 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCC1 ZINC000500433566 485280734 /nfs/dbraw/zinc/28/07/34/485280734.db2.gz IAOCRLZHHMVVQA-CYBMUJFWSA-N 0 3 374.507 -0.625 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCC1 ZINC000500433567 483507194 /nfs/dbraw/zinc/50/71/94/483507194.db2.gz IAOCRLZHHMVVQA-ZDUSSCGKSA-N 0 3 374.507 -0.625 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500435770 485281287 /nfs/dbraw/zinc/28/12/87/485281287.db2.gz OYOGPOVZIFNLOY-UHFFFAOYSA-N 0 3 351.451 -0.004 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000500436011 485281028 /nfs/dbraw/zinc/28/10/28/485281028.db2.gz PJOWKHRHMCPOMI-CYBMUJFWSA-N 0 3 374.507 -0.484 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000500436012 485281324 /nfs/dbraw/zinc/28/13/24/485281324.db2.gz PJOWKHRHMCPOMI-ZDUSSCGKSA-N 0 3 374.507 -0.484 20 0 FBADHN COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500437208 485281234 /nfs/dbraw/zinc/28/12/34/485281234.db2.gz CDPKRUXWUOBVGA-KBPBESRZSA-N 0 3 357.451 -0.476 20 0 FBADHN COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500437256 485280695 /nfs/dbraw/zinc/28/06/95/485280695.db2.gz CDPKRUXWUOBVGA-KGLIPLIRSA-N 0 3 357.451 -0.476 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500437257 485281168 /nfs/dbraw/zinc/28/11/68/485281168.db2.gz CDPKRUXWUOBVGA-UONOGXRCSA-N 0 3 357.451 -0.476 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500437258 485280948 /nfs/dbraw/zinc/28/09/48/485280948.db2.gz CDPKRUXWUOBVGA-ZIAGYGMSSA-N 0 3 357.451 -0.476 20 0 FBADHN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500437838 485281085 /nfs/dbraw/zinc/28/10/85/485281085.db2.gz CVSLFBVRRUACLF-UHFFFAOYSA-N 0 3 362.496 -0.625 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CCC1 ZINC000500439185 485280909 /nfs/dbraw/zinc/28/09/09/485280909.db2.gz GKJSSVUQVYFIJO-CYBMUJFWSA-N 0 3 351.451 -0.351 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CCC1 ZINC000500439188 485280421 /nfs/dbraw/zinc/28/04/21/485280421.db2.gz GKJSSVUQVYFIJO-ZDUSSCGKSA-N 0 3 351.451 -0.351 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)C(=O)N1CCOCC1 ZINC000500445338 485280760 /nfs/dbraw/zinc/28/07/60/485280760.db2.gz BKCIDUZRBWZZBA-CYBMUJFWSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)C(=O)N1CCOCC1 ZINC000500445346 485280604 /nfs/dbraw/zinc/28/06/04/485280604.db2.gz BKCIDUZRBWZZBA-ZDUSSCGKSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CCC1 ZINC000500445688 485281267 /nfs/dbraw/zinc/28/12/67/485281267.db2.gz YUNBCEARQRRJTK-UHFFFAOYSA-N 0 3 362.478 -0.335 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000500446879 485280407 /nfs/dbraw/zinc/28/04/07/485280407.db2.gz JRAXAECIAXEIAL-UHFFFAOYSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@](C)(F)C2)cn1 ZINC000500449807 485280389 /nfs/dbraw/zinc/28/03/89/485280389.db2.gz IJRKJPSUDBACGC-INIZCTEOSA-N 0 3 368.413 -0.540 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@](C)(F)C2)cn1 ZINC000500449808 485280432 /nfs/dbraw/zinc/28/04/32/485280432.db2.gz IJRKJPSUDBACGC-MRXNPFEDSA-N 0 3 368.413 -0.540 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)CC2 ZINC000500453712 485282208 /nfs/dbraw/zinc/28/22/08/485282208.db2.gz BSQQKKABTFOHKH-GFCCVEGCSA-N 0 3 364.450 -0.544 20 0 FBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)CC2 ZINC000500453713 485282149 /nfs/dbraw/zinc/28/21/49/485282149.db2.gz BSQQKKABTFOHKH-LBPRGKRZSA-N 0 3 364.450 -0.544 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CCN1CC(C)(C)O ZINC000500454866 485281755 /nfs/dbraw/zinc/28/17/55/485281755.db2.gz FPMNJZXHTDUOGR-AWEZNQCLSA-N 0 3 354.495 -0.110 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CCN1CC(C)(C)O ZINC000500454867 485282718 /nfs/dbraw/zinc/28/27/18/485282718.db2.gz FPMNJZXHTDUOGR-CQSZACIVSA-N 0 3 354.495 -0.110 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500457834 485282356 /nfs/dbraw/zinc/28/23/56/485282356.db2.gz QMODHJBHTAKWRQ-UHFFFAOYSA-N 0 3 362.496 -0.625 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500458478 485282256 /nfs/dbraw/zinc/28/22/56/485282256.db2.gz QLAUALAGTNSONV-AWEZNQCLSA-N 0 3 354.495 -0.110 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000500458479 485282074 /nfs/dbraw/zinc/28/20/74/485282074.db2.gz QLAUALAGTNSONV-CQSZACIVSA-N 0 3 354.495 -0.110 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1=O ZINC000500463021 485282304 /nfs/dbraw/zinc/28/23/04/485282304.db2.gz 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Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cc1-n1cnnn1 ZINC000504555819 483983194 /nfs/dbraw/zinc/98/31/94/483983194.db2.gz RCSHITQWWRKGTK-MRXNPFEDSA-N 0 3 361.406 -0.662 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504556575 483982969 /nfs/dbraw/zinc/98/29/69/483982969.db2.gz VJKYXAWYBWBJQC-AWEZNQCLSA-N 0 3 362.434 -0.804 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504556576 483983267 /nfs/dbraw/zinc/98/32/67/483983267.db2.gz VJKYXAWYBWBJQC-CQSZACIVSA-N 0 3 362.434 -0.804 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000504560260 483982559 /nfs/dbraw/zinc/98/25/59/483982559.db2.gz GDAACCCMNYQZQL-KRWDZBQOSA-N 0 3 362.386 -0.720 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000504560261 483982411 /nfs/dbraw/zinc/98/24/11/483982411.db2.gz GDAACCCMNYQZQL-QGZVFWFLSA-N 0 3 362.386 -0.720 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000504560681 483982598 /nfs/dbraw/zinc/98/25/98/483982598.db2.gz IYTOKBCGMCRQOT-KRWDZBQOSA-N 0 3 363.418 -0.756 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000504560682 483983296 /nfs/dbraw/zinc/98/32/96/483983296.db2.gz IYTOKBCGMCRQOT-QGZVFWFLSA-N 0 3 363.418 -0.756 20 0 FBADHN CC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)ccc21 ZINC000504562207 483985114 /nfs/dbraw/zinc/98/51/14/483985114.db2.gz XMYXYXMFLNQGBV-GOSISDBHSA-N 0 3 362.430 -0.037 20 0 FBADHN CC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)ccc21 ZINC000504562208 483985283 /nfs/dbraw/zinc/98/52/83/483985283.db2.gz XMYXYXMFLNQGBV-SFHVURJKSA-N 0 3 362.430 -0.037 20 0 FBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000504568302 483985211 /nfs/dbraw/zinc/98/52/11/483985211.db2.gz MJVTYECBOJEHEZ-INIZCTEOSA-N 0 3 361.406 -0.662 20 0 FBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000504568303 483985293 /nfs/dbraw/zinc/98/52/93/483985293.db2.gz MJVTYECBOJEHEZ-MRXNPFEDSA-N 0 3 361.406 -0.662 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1C ZINC000504571948 484168393 /nfs/dbraw/zinc/16/83/93/484168393.db2.gz CKQBUXRZOZVJKF-UHFFFAOYSA-N 0 3 364.450 -0.276 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000504575063 483984938 /nfs/dbraw/zinc/98/49/38/483984938.db2.gz JYVJSZKBLGNMBM-GOSISDBHSA-N 0 3 364.446 -0.183 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000504575066 483984928 /nfs/dbraw/zinc/98/49/28/483984928.db2.gz JYVJSZKBLGNMBM-SFHVURJKSA-N 0 3 364.446 -0.183 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cc1C ZINC000504578893 484167964 /nfs/dbraw/zinc/16/79/64/484167964.db2.gz IKCHBCWZNHSLOV-GFCCVEGCSA-N 0 3 364.450 -0.133 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1C ZINC000504578894 484168319 /nfs/dbraw/zinc/16/83/19/484168319.db2.gz IKCHBCWZNHSLOV-LBPRGKRZSA-N 0 3 364.450 -0.133 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cn1 ZINC000504582005 483985087 /nfs/dbraw/zinc/98/50/87/483985087.db2.gz 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/nfs/dbraw/zinc/16/75/80/484167580.db2.gz FIKYHLWHFQULDL-GFCCVEGCSA-N 0 3 364.450 -0.276 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1C ZINC000504585120 484167735 /nfs/dbraw/zinc/16/77/35/484167735.db2.gz FIKYHLWHFQULDL-LBPRGKRZSA-N 0 3 364.450 -0.276 20 0 FBADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000504586512 483985070 /nfs/dbraw/zinc/98/50/70/483985070.db2.gz UTGYAHMQXVPMBG-DOMZBBRYSA-N 0 3 374.445 -0.592 20 0 FBADHN C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000504586513 483984267 /nfs/dbraw/zinc/98/42/67/483984267.db2.gz UTGYAHMQXVPMBG-IUODEOHRSA-N 0 3 374.445 -0.592 20 0 FBADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000504586514 483984903 /nfs/dbraw/zinc/98/49/03/483984903.db2.gz UTGYAHMQXVPMBG-SWLSCSKDSA-N 0 3 374.445 -0.592 20 0 FBADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C1=CCN(C)CC1 ZINC000504586515 483985103 /nfs/dbraw/zinc/98/51/03/483985103.db2.gz UTGYAHMQXVPMBG-WFASDCNBSA-N 0 3 374.445 -0.592 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000504591055 483987124 /nfs/dbraw/zinc/98/71/24/483987124.db2.gz UDVBDLFBRBHWAP-HNNXBMFYSA-N 0 3 365.369 -0.831 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000504591056 483987033 /nfs/dbraw/zinc/98/70/33/483987033.db2.gz UDVBDLFBRBHWAP-OAHLLOKOSA-N 0 3 365.369 -0.831 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000504592296 483987056 /nfs/dbraw/zinc/98/70/56/483987056.db2.gz YMGRIUSSGOKVHK-KRWDZBQOSA-N 0 3 363.418 -0.203 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000504592308 483986298 /nfs/dbraw/zinc/98/62/98/483986298.db2.gz YMGRIUSSGOKVHK-QGZVFWFLSA-N 0 3 363.418 -0.203 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CCCCCC2)cc1C ZINC000504594009 484167624 /nfs/dbraw/zinc/16/76/24/484167624.db2.gz VNXALKDRQAWATQ-UHFFFAOYSA-N 0 3 364.450 -0.132 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000504605809 483986395 /nfs/dbraw/zinc/98/63/95/483986395.db2.gz JAUNLJXDKYXSPW-INIZCTEOSA-N 0 3 364.381 -0.226 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000504605810 483987192 /nfs/dbraw/zinc/98/71/92/483987192.db2.gz JAUNLJXDKYXSPW-MRXNPFEDSA-N 0 3 364.381 -0.226 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000504607332 483986416 /nfs/dbraw/zinc/98/64/16/483986416.db2.gz OSBKQNHQFMDMCX-KRWDZBQOSA-N 0 3 360.418 -0.306 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000504607334 483986115 /nfs/dbraw/zinc/98/61/15/483986115.db2.gz OSBKQNHQFMDMCX-QGZVFWFLSA-N 0 3 360.418 -0.306 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000504610832 483986553 /nfs/dbraw/zinc/98/65/53/483986553.db2.gz AUGYMLZJRBXBJH-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000504610833 483986641 /nfs/dbraw/zinc/98/66/41/483986641.db2.gz AUGYMLZJRBXBJH-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN 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362.496 -0.816 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510387872 484130411 /nfs/dbraw/zinc/13/04/11/484130411.db2.gz FRRMOPZXVLNCIJ-ZDUSSCGKSA-N 0 3 362.496 -0.816 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1=O ZINC000510406738 484130881 /nfs/dbraw/zinc/13/08/81/484130881.db2.gz MXYAUEWPRYBVIJ-CYBMUJFWSA-N 0 3 374.507 -0.721 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1=O ZINC000510406741 484130285 /nfs/dbraw/zinc/13/02/85/484130285.db2.gz MXYAUEWPRYBVIJ-ZDUSSCGKSA-N 0 3 374.507 -0.721 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC(C)(C)CCCO ZINC000510458332 484133934 /nfs/dbraw/zinc/13/39/34/484133934.db2.gz ZCRAYWIJSFRFEY-UHFFFAOYSA-N 0 3 356.511 -0.003 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CCNC(=O)N(C)C ZINC000510535543 484135280 /nfs/dbraw/zinc/13/52/80/484135280.db2.gz BYSSIXISVJMPQG-UHFFFAOYSA-N 0 3 374.511 -0.047 20 0 FBADHN CC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)S(C)(=O)=O ZINC000510676736 484138304 /nfs/dbraw/zinc/13/83/04/484138304.db2.gz VWCFCHXPKCYAPL-HIFRSBDPSA-N 0 3 369.487 -0.175 20 0 FBADHN CC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)S(C)(=O)=O ZINC000510676737 484138157 /nfs/dbraw/zinc/13/81/57/484138157.db2.gz VWCFCHXPKCYAPL-ZFWWWQNUSA-N 0 3 369.487 -0.175 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCS(C)(=O)=O ZINC000510703405 484137957 /nfs/dbraw/zinc/13/79/57/484137957.db2.gz LNAWHOSHQHUCSH-HNNXBMFYSA-N 0 3 369.487 -0.174 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000510746454 484139415 /nfs/dbraw/zinc/13/94/15/484139415.db2.gz BLAUGUZAZJFNOK-FRRDWIJNSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000510746497 484139559 /nfs/dbraw/zinc/13/95/59/484139559.db2.gz BLAUGUZAZJFNOK-JHJVBQTASA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000510746499 484140026 /nfs/dbraw/zinc/14/00/26/484140026.db2.gz BLAUGUZAZJFNOK-RWMBFGLXSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000510746500 484139494 /nfs/dbraw/zinc/13/94/94/484139494.db2.gz BLAUGUZAZJFNOK-YNEHKIRRSA-N 0 3 360.480 -0.840 20 0 FBADHN COCCCS(=O)(=O)NCCN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510763953 484139984 /nfs/dbraw/zinc/13/99/84/484139984.db2.gz KYQFTNDPPPHDIK-CHWSQXEVSA-N 0 3 371.525 -0.608 20 0 FBADHN COCCCS(=O)(=O)NCCN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510763957 484139881 /nfs/dbraw/zinc/13/98/81/484139881.db2.gz KYQFTNDPPPHDIK-OLZOCXBDSA-N 0 3 371.525 -0.608 20 0 FBADHN COCCCS(=O)(=O)NCCN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510763958 484139455 /nfs/dbraw/zinc/13/94/55/484139455.db2.gz KYQFTNDPPPHDIK-QWHCGFSZSA-N 0 3 371.525 -0.608 20 0 FBADHN COCCCS(=O)(=O)NCCN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510763960 484139673 /nfs/dbraw/zinc/13/96/73/484139673.db2.gz KYQFTNDPPPHDIK-STQMWFEESA-N 0 3 371.525 -0.608 20 0 FBADHN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C1=CCN(C)CC1 ZINC000510767348 484139968 /nfs/dbraw/zinc/13/99/68/484139968.db2.gz MAVNHIQTNKTRIH-NEPJUHHUSA-N 0 3 355.464 -0.147 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000510767349 484140138 /nfs/dbraw/zinc/14/01/38/484140138.db2.gz MAVNHIQTNKTRIH-NWDGAFQWSA-N 0 3 355.464 -0.147 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000510767350 484139609 /nfs/dbraw/zinc/13/96/09/484139609.db2.gz MAVNHIQTNKTRIH-RYUDHWBXSA-N 0 3 355.464 -0.147 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000510767351 484140370 /nfs/dbraw/zinc/14/03/70/484140370.db2.gz MAVNHIQTNKTRIH-VXGBXAGGSA-N 0 3 355.464 -0.147 20 0 FBADHN C[C@H](N[C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCC(C(N)=O)CC1 ZINC000510774856 484140300 /nfs/dbraw/zinc/14/03/00/484140300.db2.gz AGSLLAOEMQWWLF-FPMFFAJLSA-N 0 3 374.507 -0.451 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCC(C(N)=O)CC1 ZINC000510774857 484139373 /nfs/dbraw/zinc/13/93/73/484139373.db2.gz AGSLLAOEMQWWLF-IACUBPJLSA-N 0 3 374.507 -0.451 20 0 FBADHN C[C@H](N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCC(C(N)=O)CC1 ZINC000510774858 484140245 /nfs/dbraw/zinc/14/02/45/484140245.db2.gz AGSLLAOEMQWWLF-UBHSHLNASA-N 0 3 374.507 -0.451 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCC(C(N)=O)CC1 ZINC000510774859 484140359 /nfs/dbraw/zinc/14/03/59/484140359.db2.gz AGSLLAOEMQWWLF-YUTCNCBUSA-N 0 3 374.507 -0.451 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NCCCN1CCCC1=O ZINC000510775003 484140283 /nfs/dbraw/zinc/14/02/83/484140283.db2.gz BPLJUFCCQLWXDB-KBPBESRZSA-N 0 3 374.507 -0.435 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NCCCN1CCCC1=O ZINC000510775006 484139431 /nfs/dbraw/zinc/13/94/31/484139431.db2.gz BPLJUFCCQLWXDB-KGLIPLIRSA-N 0 3 374.507 -0.435 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NCCCN1CCCC1=O ZINC000510775008 484139566 /nfs/dbraw/zinc/13/95/66/484139566.db2.gz BPLJUFCCQLWXDB-UONOGXRCSA-N 0 3 374.507 -0.435 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCN1CCCC1=O ZINC000510775009 484139583 /nfs/dbraw/zinc/13/95/83/484139583.db2.gz BPLJUFCCQLWXDB-ZIAGYGMSSA-N 0 3 374.507 -0.435 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C[C@H](C)O1 ZINC000510775017 484889626 /nfs/dbraw/zinc/88/96/26/484889626.db2.gz AVAIWOWHGICELK-JKJDWNRSSA-N 0 3 363.524 -0.094 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C[C@@H](C)O1 ZINC000510775022 484889592 /nfs/dbraw/zinc/88/95/92/484889592.db2.gz AVAIWOWHGICELK-OXGONZEZSA-N 0 3 363.524 -0.094 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C[C@@H](C)O1 ZINC000510775023 484889663 /nfs/dbraw/zinc/88/96/63/484889663.db2.gz AVAIWOWHGICELK-QCODTGAPSA-N 0 3 363.524 -0.094 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C[C@H](C)O1 ZINC000510775025 484889968 /nfs/dbraw/zinc/88/99/68/484889968.db2.gz AVAIWOWHGICELK-YIDVYQOGSA-N 0 3 363.524 -0.094 20 0 FBADHN COCCN1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC1=O ZINC000510790186 484139728 /nfs/dbraw/zinc/13/97/28/484139728.db2.gz MTXWVLZWXSMHDJ-UHFFFAOYSA-N 0 3 373.479 -0.502 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510793767 484139443 /nfs/dbraw/zinc/13/94/43/484139443.db2.gz BOVDRKRQRPBQNT-QJPTWQEYSA-N 0 3 364.468 -0.703 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510793778 484140312 /nfs/dbraw/zinc/14/03/12/484140312.db2.gz BOVDRKRQRPBQNT-SDDRHHMPSA-N 0 3 364.468 -0.703 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510793779 484139470 /nfs/dbraw/zinc/13/94/70/484139470.db2.gz BOVDRKRQRPBQNT-SRVKXCTJSA-N 0 3 364.468 -0.703 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510793786 484139646 /nfs/dbraw/zinc/13/96/46/484139646.db2.gz BOVDRKRQRPBQNT-TUAOUCFPSA-N 0 3 364.468 -0.703 20 0 FBADHN CC(C)(C)OC(=O)CNC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798088 484140190 /nfs/dbraw/zinc/14/01/90/484140190.db2.gz QTXPQGMJGFAELB-NEPJUHHUSA-N 0 3 363.480 -0.106 20 0 FBADHN CC(C)(C)OC(=O)CNC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510798092 484139925 /nfs/dbraw/zinc/13/99/25/484139925.db2.gz QTXPQGMJGFAELB-NWDGAFQWSA-N 0 3 363.480 -0.106 20 0 FBADHN CC(C)(C)OC(=O)CNC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798093 484139790 /nfs/dbraw/zinc/13/97/90/484139790.db2.gz QTXPQGMJGFAELB-RYUDHWBXSA-N 0 3 363.480 -0.106 20 0 FBADHN CC(C)(C)OC(=O)CNC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510798094 484140224 /nfs/dbraw/zinc/14/02/24/484140224.db2.gz QTXPQGMJGFAELB-VXGBXAGGSA-N 0 3 363.480 -0.106 20 0 FBADHN CCOC(=O)CCCNC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510800941 484141046 /nfs/dbraw/zinc/14/10/46/484141046.db2.gz YXQHHFWQCJMCCO-CHWSQXEVSA-N 0 3 363.480 -0.104 20 0 FBADHN CCOC(=O)CCCNC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510800942 484141273 /nfs/dbraw/zinc/14/12/73/484141273.db2.gz YXQHHFWQCJMCCO-OLZOCXBDSA-N 0 3 363.480 -0.104 20 0 FBADHN CCOC(=O)CCCNC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510800943 484142140 /nfs/dbraw/zinc/14/21/40/484142140.db2.gz YXQHHFWQCJMCCO-QWHCGFSZSA-N 0 3 363.480 -0.104 20 0 FBADHN CCOC(=O)CCCNC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510800944 484141978 /nfs/dbraw/zinc/14/19/78/484141978.db2.gz YXQHHFWQCJMCCO-STQMWFEESA-N 0 3 363.480 -0.104 20 0 FBADHN COC(=O)Cn1cc(CCN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)nn1 ZINC000510813138 484141492 /nfs/dbraw/zinc/14/14/92/484141492.db2.gz QOKVZSVWOBMILN-CHWSQXEVSA-N 0 3 359.452 -0.556 20 0 FBADHN COC(=O)Cn1cc(CCN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)nn1 ZINC000510813146 484141247 /nfs/dbraw/zinc/14/12/47/484141247.db2.gz QOKVZSVWOBMILN-OLZOCXBDSA-N 0 3 359.452 -0.556 20 0 FBADHN COC(=O)Cn1cc(CCN[C@H]2CCCC[C@H]2NS(C)(=O)=O)nn1 ZINC000510813147 484141132 /nfs/dbraw/zinc/14/11/32/484141132.db2.gz QOKVZSVWOBMILN-QWHCGFSZSA-N 0 3 359.452 -0.556 20 0 FBADHN COC(=O)Cn1cc(CCN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)nn1 ZINC000510813149 484142073 /nfs/dbraw/zinc/14/20/73/484142073.db2.gz QOKVZSVWOBMILN-STQMWFEESA-N 0 3 359.452 -0.556 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000510815384 484141463 /nfs/dbraw/zinc/14/14/63/484141463.db2.gz ZVXTYIHYAQRLIR-DGAVXFQQSA-N 0 3 374.507 -0.451 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000510815393 484141736 /nfs/dbraw/zinc/14/17/36/484141736.db2.gz ZVXTYIHYAQRLIR-FQUUOJAGSA-N 0 3 374.507 -0.451 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000510815394 484141004 /nfs/dbraw/zinc/14/10/04/484141004.db2.gz ZVXTYIHYAQRLIR-IGQOVBAYSA-N 0 3 374.507 -0.451 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000510815395 484141068 /nfs/dbraw/zinc/14/10/68/484141068.db2.gz ZVXTYIHYAQRLIR-REWJHTLYSA-N 0 3 374.507 -0.451 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)NCCN2CCCCC2)cn1C ZINC000510821940 484141713 /nfs/dbraw/zinc/14/17/13/484141713.db2.gz RQQORCQIBZFZDM-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)NCCN2CCCC[C@H]2C)cn1C ZINC000510841097 484141604 /nfs/dbraw/zinc/14/16/04/484141604.db2.gz FAOFBQJGQUFCEM-GFCCVEGCSA-N 0 3 357.480 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)NCCN2CCCC[C@@H]2C)cn1C ZINC000510841098 484141152 /nfs/dbraw/zinc/14/11/52/484141152.db2.gz FAOFBQJGQUFCEM-LBPRGKRZSA-N 0 3 357.480 -0.003 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](COC)C2CC2)CC1 ZINC000510851465 484141164 /nfs/dbraw/zinc/14/11/64/484141164.db2.gz MXERKDYNCOWSEH-HNNXBMFYSA-N 0 3 368.478 -0.460 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](COC)C2CC2)CC1 ZINC000510851466 484141927 /nfs/dbraw/zinc/14/19/27/484141927.db2.gz MXERKDYNCOWSEH-OAHLLOKOSA-N 0 3 368.478 -0.460 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000510854230 484141344 /nfs/dbraw/zinc/14/13/44/484141344.db2.gz UQBHOIKCJCQXSQ-HNNXBMFYSA-N 0 3 366.462 -0.706 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000510854231 484141993 /nfs/dbraw/zinc/14/19/93/484141993.db2.gz UQBHOIKCJCQXSQ-OAHLLOKOSA-N 0 3 366.462 -0.706 20 0 FBADHN COCC[N@@H+](C)CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000510861877 484143162 /nfs/dbraw/zinc/14/31/62/484143162.db2.gz QOYVKXVPMSLMMO-UHFFFAOYSA-N 0 3 361.468 -0.909 20 0 FBADHN COCC[N@H+](C)CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000510861877 484143156 /nfs/dbraw/zinc/14/31/56/484143156.db2.gz QOYVKXVPMSLMMO-UHFFFAOYSA-N 0 3 361.468 -0.909 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000510898131 484142619 /nfs/dbraw/zinc/14/26/19/484142619.db2.gz XXDJYVCEHFWTNN-CABCVRRESA-N 0 3 366.462 -0.707 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000510898134 484143361 /nfs/dbraw/zinc/14/33/61/484143361.db2.gz XXDJYVCEHFWTNN-GJZGRUSLSA-N 0 3 366.462 -0.707 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC000510898375 484142657 /nfs/dbraw/zinc/14/26/57/484142657.db2.gz XXDJYVCEHFWTNN-HUUCEWRRSA-N 0 3 366.462 -0.707 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC000510898376 484142892 /nfs/dbraw/zinc/14/28/92/484142892.db2.gz XXDJYVCEHFWTNN-LSDHHAIUSA-N 0 3 366.462 -0.707 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN(CCO)CC2CC2)CC1 ZINC000510919396 484144842 /nfs/dbraw/zinc/14/48/42/484144842.db2.gz SCNCDACNWVSASR-UHFFFAOYSA-N 0 3 373.461 -0.284 20 0 FBADHN CC[NH+]1CCC(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000511026894 484146423 /nfs/dbraw/zinc/14/64/23/484146423.db2.gz DCQLEVRKUYFNGH-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000511057856 484148027 /nfs/dbraw/zinc/14/80/27/484148027.db2.gz CDVKDNAXHQSDKZ-HNNXBMFYSA-N 0 3 360.524 -0.057 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000511057857 484147634 /nfs/dbraw/zinc/14/76/34/484147634.db2.gz CDVKDNAXHQSDKZ-OAHLLOKOSA-N 0 3 360.524 -0.057 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC[NH+]2CCCCC2)cn1C ZINC000511061113 484148247 /nfs/dbraw/zinc/14/82/47/484148247.db2.gz BILPZIZETGWWJK-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511087899 484147121 /nfs/dbraw/zinc/14/71/21/484147121.db2.gz CTDJJZINEJYRTP-CYBMUJFWSA-N 0 3 363.480 -0.389 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511087903 484148003 /nfs/dbraw/zinc/14/80/03/484148003.db2.gz CTDJJZINEJYRTP-ZDUSSCGKSA-N 0 3 363.480 -0.389 20 0 FBADHN Cc1noc(COCC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000511118998 484149856 /nfs/dbraw/zinc/14/98/56/484149856.db2.gz FGTFOKPKIFOHRT-CYBMUJFWSA-N 0 3 353.423 -0.046 20 0 FBADHN Cc1noc(COCC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000511119003 484149139 /nfs/dbraw/zinc/14/91/39/484149139.db2.gz FGTFOKPKIFOHRT-ZDUSSCGKSA-N 0 3 353.423 -0.046 20 0 FBADHN CN(C[C@@H]1CCCN(CCC(=O)N2CCN(C)CC2)C1)S(C)(=O)=O ZINC000511125741 484149272 /nfs/dbraw/zinc/14/92/72/484149272.db2.gz WHBJEEPFEUEMHO-HNNXBMFYSA-N 0 3 360.524 -0.246 20 0 FBADHN CN(C[C@H]1CCCN(CCC(=O)N2CCN(C)CC2)C1)S(C)(=O)=O ZINC000511125742 484148893 /nfs/dbraw/zinc/14/88/93/484148893.db2.gz WHBJEEPFEUEMHO-OAHLLOKOSA-N 0 3 360.524 -0.246 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)COCc2nc(C)no2)CC1 ZINC000511133810 484148836 /nfs/dbraw/zinc/14/88/36/484148836.db2.gz DRDFVALYKRTKRW-UHFFFAOYSA-N 0 3 353.423 -0.093 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000511134008 484149183 /nfs/dbraw/zinc/14/91/83/484149183.db2.gz BNNIBSTWACWFPV-UHFFFAOYSA-N 0 3 353.511 -0.317 20 0 FBADHN CN(C[C@@H]1CCCN(C[C@@H]2CCN(S(C)(=O)=O)C2)C1)S(C)(=O)=O ZINC000511135681 484149780 /nfs/dbraw/zinc/14/97/80/484149780.db2.gz GWCYWEOGXWTRKW-KBPBESRZSA-N 0 3 367.537 -0.129 20 0 FBADHN CN(C[C@H]1CCCN(C[C@@H]2CCN(S(C)(=O)=O)C2)C1)S(C)(=O)=O ZINC000511135682 484149463 /nfs/dbraw/zinc/14/94/63/484149463.db2.gz GWCYWEOGXWTRKW-KGLIPLIRSA-N 0 3 367.537 -0.129 20 0 FBADHN CN(C[C@@H]1CCCN(C[C@H]2CCN(S(C)(=O)=O)C2)C1)S(C)(=O)=O ZINC000511135683 484149238 /nfs/dbraw/zinc/14/92/38/484149238.db2.gz GWCYWEOGXWTRKW-UONOGXRCSA-N 0 3 367.537 -0.129 20 0 FBADHN CN(C[C@H]1CCCN(C[C@H]2CCN(S(C)(=O)=O)C2)C1)S(C)(=O)=O ZINC000511135684 484149602 /nfs/dbraw/zinc/14/96/02/484149602.db2.gz GWCYWEOGXWTRKW-ZIAGYGMSSA-N 0 3 367.537 -0.129 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC000511172862 484150380 /nfs/dbraw/zinc/15/03/80/484150380.db2.gz QAWGHKWGPNVGCJ-UHFFFAOYSA-N 0 3 350.419 -0.066 20 0 FBADHN CCN1CCN(CCC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000511176042 484150935 /nfs/dbraw/zinc/15/09/35/484150935.db2.gz ONYMIRPFNLANLJ-UHFFFAOYSA-N 0 3 354.476 -0.022 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C)CN2CCCCC2)cn1C ZINC000511201068 484150750 /nfs/dbraw/zinc/15/07/50/484150750.db2.gz BZJSVVKLXSIXTI-GFCCVEGCSA-N 0 3 357.480 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C)CN2CCCCC2)cn1C ZINC000511201069 484151128 /nfs/dbraw/zinc/15/11/28/484151128.db2.gz BZJSVVKLXSIXTI-LBPRGKRZSA-N 0 3 357.480 -0.003 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000511205692 484150796 /nfs/dbraw/zinc/15/07/96/484150796.db2.gz YRFQBILNPJOFLP-AWEZNQCLSA-N 0 3 362.496 -0.610 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000511205699 484150976 /nfs/dbraw/zinc/15/09/76/484150976.db2.gz YRFQBILNPJOFLP-CQSZACIVSA-N 0 3 362.496 -0.610 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[NH+]2CCCCCC2)cn1C ZINC000511219852 484152444 /nfs/dbraw/zinc/15/24/44/484152444.db2.gz AFWYHWANCPWDKN-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000511219991 484152435 /nfs/dbraw/zinc/15/24/35/484152435.db2.gz HEDOERAQDWPOON-CYBMUJFWSA-N 0 3 357.480 -0.087 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCN(C)C1=O ZINC000511219992 484152196 /nfs/dbraw/zinc/15/21/96/484152196.db2.gz HEDOERAQDWPOON-ZDUSSCGKSA-N 0 3 357.480 -0.087 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511228908 484152118 /nfs/dbraw/zinc/15/21/18/484152118.db2.gz BBZSYWYRVGWFSN-HNNXBMFYSA-N 0 3 367.494 -0.273 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511228911 484152049 /nfs/dbraw/zinc/15/20/49/484152049.db2.gz BBZSYWYRVGWFSN-OAHLLOKOSA-N 0 3 367.494 -0.273 20 0 FBADHN C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1=CCN(C)CC1 ZINC000511329517 484154739 /nfs/dbraw/zinc/15/47/39/484154739.db2.gz VHHJGMXKXBNRTB-LLVKDONJSA-N 0 3 360.418 -0.800 20 0 FBADHN C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1=CCN(C)CC1 ZINC000511329518 484154399 /nfs/dbraw/zinc/15/43/99/484154399.db2.gz VHHJGMXKXBNRTB-NSHDSACASA-N 0 3 360.418 -0.800 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000511383399 484157351 /nfs/dbraw/zinc/15/73/51/484157351.db2.gz VNOGRIFPVUTSKH-GXTWGEPZSA-N 0 3 350.485 -0.588 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000511383400 484157510 /nfs/dbraw/zinc/15/75/10/484157510.db2.gz VNOGRIFPVUTSKH-JSGCOSHPSA-N 0 3 350.485 -0.588 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000511383401 484157378 /nfs/dbraw/zinc/15/73/78/484157378.db2.gz VNOGRIFPVUTSKH-OCCSQVGLSA-N 0 3 350.485 -0.588 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000511383402 484157489 /nfs/dbraw/zinc/15/74/89/484157489.db2.gz VNOGRIFPVUTSKH-TZMCWYRMSA-N 0 3 350.485 -0.588 20 0 FBADHN CCN(CCO)CCNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000511402605 484157299 /nfs/dbraw/zinc/15/72/99/484157299.db2.gz VNRUTNHFSUNXRE-CYBMUJFWSA-N 0 3 350.485 -0.586 20 0 FBADHN CCN(CCO)CCNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000511402606 484157556 /nfs/dbraw/zinc/15/75/56/484157556.db2.gz VNRUTNHFSUNXRE-ZDUSSCGKSA-N 0 3 350.485 -0.586 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)N(CCOC)CCN(C)C)CC1 ZINC000511426513 484158708 /nfs/dbraw/zinc/15/87/08/484158708.db2.gz BZBQSHKKKWIUKH-UHFFFAOYSA-N 0 3 350.485 -0.801 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC000511443714 484159726 /nfs/dbraw/zinc/15/97/26/484159726.db2.gz VIQFRBPBALVDMU-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(=O)N(C)C ZINC000511458310 484159777 /nfs/dbraw/zinc/15/97/77/484159777.db2.gz CEFLABIUGKXXPR-HNNXBMFYSA-N 0 3 363.462 -0.337 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC2CC[NH+](C(C)C)CC2)cn1C ZINC000511479373 484161748 /nfs/dbraw/zinc/16/17/48/484161748.db2.gz UOTAZBRNSPUYJH-UHFFFAOYSA-N 0 3 357.480 -0.004 20 0 FBADHN COCCN1CN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC1=O ZINC000511494756 484949829 /nfs/dbraw/zinc/94/98/29/484949829.db2.gz CIBUJBKFTQZNHJ-UHFFFAOYSA-N 0 3 369.466 -0.613 20 0 FBADHN COCCN(CCN(C)C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000511512804 484161025 /nfs/dbraw/zinc/16/10/25/484161025.db2.gz IBPKSKGJORNAFD-UHFFFAOYSA-N 0 3 355.439 -0.273 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000511539604 484161589 /nfs/dbraw/zinc/16/15/89/484161589.db2.gz MNWQDCKMIQCKPN-QLFBSQMISA-N 0 3 354.451 -0.262 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000511539605 484163621 /nfs/dbraw/zinc/16/36/21/484163621.db2.gz MNWQDCKMIQCKPN-ZNMIVQPWSA-N 0 3 354.451 -0.262 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC(=O)N(CCOC)C2)CC1 ZINC000511542284 484162571 /nfs/dbraw/zinc/16/25/71/484162571.db2.gz WICLUESSADBUKS-HNNXBMFYSA-N 0 3 355.483 -0.282 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC(=O)N(CCOC)C2)CC1 ZINC000511542292 484162232 /nfs/dbraw/zinc/16/22/32/484162232.db2.gz WICLUESSADBUKS-OAHLLOKOSA-N 0 3 355.483 -0.282 20 0 FBADHN COCCN1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000511548086 484162389 /nfs/dbraw/zinc/16/23/89/484162389.db2.gz SMFOUJPEBJQJBJ-AWEZNQCLSA-N 0 3 369.466 -0.613 20 0 FBADHN COCCN1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1=O ZINC000511548087 484163404 /nfs/dbraw/zinc/16/34/04/484163404.db2.gz SMFOUJPEBJQJBJ-CQSZACIVSA-N 0 3 369.466 -0.613 20 0 FBADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000511571085 484162932 /nfs/dbraw/zinc/16/29/32/484162932.db2.gz KOMSKWRVDWYUSS-CVEARBPZSA-N 0 3 354.495 -0.156 20 0 FBADHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000511571086 484163097 /nfs/dbraw/zinc/16/30/97/484163097.db2.gz KOMSKWRVDWYUSS-HOTGVXAUSA-N 0 3 354.495 -0.156 20 0 FBADHN CC[C@@H](O)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000511571087 484162909 /nfs/dbraw/zinc/16/29/09/484162909.db2.gz KOMSKWRVDWYUSS-HZPDHXFCSA-N 0 3 354.495 -0.156 20 0 FBADHN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000511571088 484162338 /nfs/dbraw/zinc/16/23/38/484162338.db2.gz KOMSKWRVDWYUSS-JKSUJKDBSA-N 0 3 354.495 -0.156 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000511619433 484164709 /nfs/dbraw/zinc/16/47/09/484164709.db2.gz YYLZXQZWTXVQAS-AAEUAGOBSA-N 0 3 356.389 -0.139 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000511619434 484164128 /nfs/dbraw/zinc/16/41/28/484164128.db2.gz YYLZXQZWTXVQAS-DGCLKSJQSA-N 0 3 356.389 -0.139 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000511619435 484165127 /nfs/dbraw/zinc/16/51/27/484165127.db2.gz YYLZXQZWTXVQAS-WCQYABFASA-N 0 3 356.389 -0.139 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000511619436 484164745 /nfs/dbraw/zinc/16/47/45/484164745.db2.gz YYLZXQZWTXVQAS-YPMHNXCESA-N 0 3 356.389 -0.139 20 0 FBADHN CCN(CCO)CCNC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000511639310 484165116 /nfs/dbraw/zinc/16/51/16/484165116.db2.gz KRCXALDGMPPZHF-GFCCVEGCSA-N 0 3 356.389 -0.137 20 0 FBADHN CCN(CCO)CCNC(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000511639314 484165204 /nfs/dbraw/zinc/16/52/04/484165204.db2.gz KRCXALDGMPPZHF-LBPRGKRZSA-N 0 3 356.389 -0.137 20 0 FBADHN CNS(=O)(=O)c1ccc(NCCCCN2CCN(CCO)CC2)nc1 ZINC000511648225 484199886 /nfs/dbraw/zinc/19/98/86/484199886.db2.gz LXBVTJUWWTYPIN-UHFFFAOYSA-N 0 3 371.507 -0.208 20 0 FBADHN Cc1ocnc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000511652179 484165910 /nfs/dbraw/zinc/16/59/10/484165910.db2.gz ZXXQPTGFZRHLBU-UHFFFAOYSA-N 0 3 363.418 -0.634 20 0 FBADHN CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CCCOC1 ZINC000511664339 484166549 /nfs/dbraw/zinc/16/65/49/484166549.db2.gz 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484168956 /nfs/dbraw/zinc/16/89/56/484168956.db2.gz QFWODCAXJCCQPJ-CQSZACIVSA-N 0 3 359.492 -0.272 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCNc2cc[nH+]cc2)cn1C ZINC000511771298 484169222 /nfs/dbraw/zinc/16/92/22/484169222.db2.gz OQEPZOMJEHKRBS-UHFFFAOYSA-N 0 3 366.447 -0.558 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C)C[NH+]2CCCC2)cn1C ZINC000511774595 484169364 /nfs/dbraw/zinc/16/93/64/484169364.db2.gz WVMWKRUFHOGQMG-GFCCVEGCSA-N 0 3 357.480 -0.145 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H](C)C[NH+]2CCCC2)cn1C ZINC000511774600 484168985 /nfs/dbraw/zinc/16/89/85/484168985.db2.gz WVMWKRUFHOGQMG-LBPRGKRZSA-N 0 3 357.480 -0.145 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCCNc2cc[nH+]cc2)cn1C ZINC000511775242 484168588 /nfs/dbraw/zinc/16/85/88/484168588.db2.gz YHVLACYJFKTHSE-UHFFFAOYSA-N 0 3 352.420 -0.948 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC2CC[NH+](CC3CC3)CC2)cn1C ZINC000511784474 484169377 /nfs/dbraw/zinc/16/93/77/484169377.db2.gz KRZBTLODXRMDDI-UHFFFAOYSA-N 0 3 369.491 -0.003 20 0 FBADHN CCCN1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000511920746 484172339 /nfs/dbraw/zinc/17/23/39/484172339.db2.gz RNGIGEDCPDHSGF-HNNXBMFYSA-N 0 3 365.478 -0.007 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(Cn3ccnn3)CC2)n1 ZINC000511923379 484097161 /nfs/dbraw/zinc/09/71/61/484097161.db2.gz JCPITHUYNNBDEZ-UHFFFAOYSA-N 0 3 374.449 -0.087 20 0 FBADHN Cn1c(=O)c2ccc(C(=O)NCCNc3ccncc3)nc2n(C)c1=O ZINC000512012126 484175026 /nfs/dbraw/zinc/17/50/26/484175026.db2.gz TUDKRMPBYZRDLZ-UHFFFAOYSA-N 0 3 354.370 -0.709 20 0 FBADHN CC[N@H+]1CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000512018600 484175189 /nfs/dbraw/zinc/17/51/89/484175189.db2.gz YVVDGXBHDMMQSU-CYBMUJFWSA-N 0 3 357.480 -0.145 20 0 FBADHN CC[N@@H+]1CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000512018600 484175186 /nfs/dbraw/zinc/17/51/86/484175186.db2.gz YVVDGXBHDMMQSU-CYBMUJFWSA-N 0 3 357.480 -0.145 20 0 FBADHN CC[N@H+]1CCC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000512018609 484174517 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0 FBADHN Cn1ncc2c1ncc(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c2[O-] ZINC000512048018 484175933 /nfs/dbraw/zinc/17/59/33/484175933.db2.gz WXCRGPSRHVOMJE-NSHDSACASA-N 0 3 360.418 -0.009 20 0 FBADHN Cn1ncc2c1ncc(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c2[O-] ZINC000512048018 484175929 /nfs/dbraw/zinc/17/59/29/484175929.db2.gz WXCRGPSRHVOMJE-NSHDSACASA-N 0 3 360.418 -0.009 20 0 FBADHN Cn1c(=O)c2cc(C(=O)NCCNc3ccncc3)cnc2n(C)c1=O ZINC000512058192 484176451 /nfs/dbraw/zinc/17/64/51/484176451.db2.gz OEHKWWPQZICNIM-UHFFFAOYSA-N 0 3 354.370 -0.709 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCn1cncn1 ZINC000512095906 484176509 /nfs/dbraw/zinc/17/65/09/484176509.db2.gz UAWNZROHAOLCQV-INIZCTEOSA-N 0 3 373.461 -0.134 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)c2cnc3c(cnn3C)c2O)CC1 ZINC000512099615 484176304 /nfs/dbraw/zinc/17/63/04/484176304.db2.gz VBKMXNIGDWNMSG-UHFFFAOYSA-N 0 3 360.418 -0.044 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512112477 484175953 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C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CCN1C1CCN(C)CC1 ZINC000512233764 484180342 /nfs/dbraw/zinc/18/03/42/484180342.db2.gz KWSOGPDKIBXFBV-CQSZACIVSA-N 0 3 354.495 -0.110 20 0 FBADHN CN1CCN(CC2CCN(C(=O)C(=O)NCCC(C)(C)O)CC2)CC1 ZINC000512239658 484179181 /nfs/dbraw/zinc/17/91/81/484179181.db2.gz FCNRUPHMEVPXRS-UHFFFAOYSA-N 0 3 354.495 -0.250 20 0 FBADHN CC(C)(O)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000512246081 484179335 /nfs/dbraw/zinc/17/93/35/484179335.db2.gz XPCGETISLYPDPG-UHFFFAOYSA-N 0 3 354.451 -0.970 20 0 FBADHN CN(C)CCOc1cc(C(=O)NCCNC(=O)c2cnccn2)ccn1 ZINC000512277140 484181690 /nfs/dbraw/zinc/18/16/90/484181690.db2.gz FQDFZGFNALZKOY-UHFFFAOYSA-N 0 3 358.402 -0.028 20 0 FBADHN NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000512278266 484182098 /nfs/dbraw/zinc/18/20/98/484182098.db2.gz JDAGAMDTLPCBQT-CYBMUJFWSA-N 0 3 354.432 -0.133 20 0 FBADHN NC(=O)c1ccc(NC(=O)CCN2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000512278271 484181500 /nfs/dbraw/zinc/18/15/00/484181500.db2.gz 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/nfs/dbraw/zinc/18/25/36/484182536.db2.gz OKJMCXIQNGIGCJ-UHFFFAOYSA-N 0 3 362.390 -0.284 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@@H]1N1CCN(C)CC1 ZINC000512337233 484182834 /nfs/dbraw/zinc/18/28/34/484182834.db2.gz QXHLXIBTNBGIOJ-CABCVRRESA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@@H]1N1CCN(C)CC1 ZINC000512337236 484183528 /nfs/dbraw/zinc/18/35/28/484183528.db2.gz QXHLXIBTNBGIOJ-GJZGRUSLSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@H]1N1CCN(C)CC1 ZINC000512337238 484182929 /nfs/dbraw/zinc/18/29/29/484182929.db2.gz QXHLXIBTNBGIOJ-HUUCEWRRSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)O)CC[C@H]1N1CCN(C)CC1 ZINC000512337240 484183601 /nfs/dbraw/zinc/18/36/01/484183601.db2.gz QXHLXIBTNBGIOJ-LSDHHAIUSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)O)CC1 ZINC000512353847 484183428 /nfs/dbraw/zinc/18/34/28/484183428.db2.gz ZWDOPIHQTYCNAN-UHFFFAOYSA-N 0 3 356.467 -0.724 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000512355719 484182576 /nfs/dbraw/zinc/18/25/76/484182576.db2.gz BYKIOBXPSHTSCQ-UHFFFAOYSA-N 0 3 363.462 -0.084 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)O)CC1 ZINC000512356778 484182682 /nfs/dbraw/zinc/18/26/82/484182682.db2.gz QAOFDWJMGKJACR-CYBMUJFWSA-N 0 3 354.451 -0.971 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)O)CC1 ZINC000512356779 484183709 /nfs/dbraw/zinc/18/37/09/484183709.db2.gz QAOFDWJMGKJACR-ZDUSSCGKSA-N 0 3 354.451 -0.971 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512363388 484185133 /nfs/dbraw/zinc/18/51/33/484185133.db2.gz XGBFCQIGPLWTIO-UHFFFAOYSA-N 0 3 355.483 -0.393 20 0 FBADHN CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CCOCC1 ZINC000512366179 484184388 /nfs/dbraw/zinc/18/43/88/484184388.db2.gz AQPKYEFDQIRKME-UHFFFAOYSA-N 0 3 370.475 -0.073 20 0 FBADHN CN(CC(=O)N[C@H](CO)CN1CCCCC1)S(=O)(=O)c1cccnc1 ZINC000512374836 484184177 /nfs/dbraw/zinc/18/41/77/484184177.db2.gz JJPUZEDFRUCNNM-AWEZNQCLSA-N 0 3 370.475 -0.335 20 0 FBADHN CN(CC(=O)N[C@@H](CO)CN1CCCCC1)S(=O)(=O)c1cccnc1 ZINC000512374837 484184478 /nfs/dbraw/zinc/18/44/78/484184478.db2.gz JJPUZEDFRUCNNM-CQSZACIVSA-N 0 3 370.475 -0.335 20 0 FBADHN CC(C(=O)N[C@H](CO)CN1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000512380296 484185113 /nfs/dbraw/zinc/18/51/13/484185113.db2.gz ZEIUDMFXRGFOAJ-KBPBESRZSA-N 0 3 362.492 -0.068 20 0 FBADHN CC(C(=O)N[C@H](CO)CN1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000512380297 484184870 /nfs/dbraw/zinc/18/48/70/484184870.db2.gz ZEIUDMFXRGFOAJ-KGLIPLIRSA-N 0 3 362.492 -0.068 20 0 FBADHN CC(C(=O)N[C@@H](CO)CN1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000512380298 484184317 /nfs/dbraw/zinc/18/43/17/484184317.db2.gz ZEIUDMFXRGFOAJ-UONOGXRCSA-N 0 3 362.492 -0.068 20 0 FBADHN CC(C(=O)N[C@@H](CO)CN1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000512380299 484185161 /nfs/dbraw/zinc/18/51/61/484185161.db2.gz ZEIUDMFXRGFOAJ-ZIAGYGMSSA-N 0 3 362.492 -0.068 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](CO)CN2CCCCC2)C1=O ZINC000512395346 484184641 /nfs/dbraw/zinc/18/46/41/484184641.db2.gz TWJWQPVFXSXSNV-CXAGYDPISA-N 0 3 352.435 -0.330 20 0 FBADHN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](CO)CN2CCCCC2)C1=O ZINC000512395347 484184209 /nfs/dbraw/zinc/18/42/09/484184209.db2.gz TWJWQPVFXSXSNV-DYVFJYSZSA-N 0 3 352.435 -0.330 20 0 FBADHN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](CO)CN2CCCCC2)C1=O ZINC000512395348 484184620 /nfs/dbraw/zinc/18/46/20/484184620.db2.gz TWJWQPVFXSXSNV-GUYCJALGSA-N 0 3 352.435 -0.330 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](CO)CN2CCCCC2)C1=O ZINC000512395349 484184285 /nfs/dbraw/zinc/18/42/85/484184285.db2.gz TWJWQPVFXSXSNV-SUMWQHHRSA-N 0 3 352.435 -0.330 20 0 FBADHN CCN1CCN(CCCCNC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512396293 484184370 /nfs/dbraw/zinc/18/43/70/484184370.db2.gz LFMDTZXJWBYTPG-UHFFFAOYSA-N 0 3 354.499 -0.865 20 0 FBADHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccccc1Cn1cncn1 ZINC000512406796 484184457 /nfs/dbraw/zinc/18/44/57/484184457.db2.gz UJICIPTXPFOXCA-HNNXBMFYSA-N 0 3 353.448 -0.083 20 0 FBADHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1Cn1cncn1 ZINC000512406797 484184788 /nfs/dbraw/zinc/18/47/88/484184788.db2.gz UJICIPTXPFOXCA-OAHLLOKOSA-N 0 3 353.448 -0.083 20 0 FBADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000512412961 484186345 /nfs/dbraw/zinc/18/63/45/484186345.db2.gz YNEGWHTYFUSVCN-ZDUSSCGKSA-N 0 3 350.485 -0.370 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000512422100 484186477 /nfs/dbraw/zinc/18/64/77/484186477.db2.gz OJLSJSIDSXGWJN-KBPBESRZSA-N 0 3 362.496 -0.228 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000512422101 484186711 /nfs/dbraw/zinc/18/67/11/484186711.db2.gz OJLSJSIDSXGWJN-UONOGXRCSA-N 0 3 362.496 -0.228 20 0 FBADHN COCCN(CCN(C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000512429575 484186625 /nfs/dbraw/zinc/18/66/25/484186625.db2.gz HQLVSEKEUPUFRV-CYBMUJFWSA-N 0 3 350.485 -0.370 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000512436185 484186727 /nfs/dbraw/zinc/18/67/27/484186727.db2.gz HPUIGXLLYQDSNS-GJZGRUSLSA-N 0 3 357.499 -0.195 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000512436186 484185789 /nfs/dbraw/zinc/18/57/89/484185789.db2.gz HPUIGXLLYQDSNS-LSDHHAIUSA-N 0 3 357.499 -0.195 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000512437749 484186330 /nfs/dbraw/zinc/18/63/30/484186330.db2.gz WYIYYWSEZVLAHN-GJZGRUSLSA-N 0 3 355.483 -0.489 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000512437752 484186510 /nfs/dbraw/zinc/18/65/10/484186510.db2.gz WYIYYWSEZVLAHN-LSDHHAIUSA-N 0 3 355.483 -0.489 20 0 FBADHN COCCN(CCN(C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512447332 484188266 /nfs/dbraw/zinc/18/82/66/484188266.db2.gz RQALXJIBJQBOHB-CYBMUJFWSA-N 0 3 350.485 -0.513 20 0 FBADHN COCCN(CCN(C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000512447333 484187732 /nfs/dbraw/zinc/18/77/32/484187732.db2.gz RQALXJIBJQBOHB-ZDUSSCGKSA-N 0 3 350.485 -0.513 20 0 FBADHN CCCN(CCN1CCCC1)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000512473174 484187845 /nfs/dbraw/zinc/18/78/45/484187845.db2.gz BKLFZUQKNBUQPI-AWEZNQCLSA-N 0 3 374.507 -0.193 20 0 FBADHN CCCN(CCN1CCCC1)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000512473175 484187329 /nfs/dbraw/zinc/18/73/29/484187329.db2.gz BKLFZUQKNBUQPI-CQSZACIVSA-N 0 3 374.507 -0.193 20 0 FBADHN CN(C)CCOc1cc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccn1 ZINC000512529467 484189275 /nfs/dbraw/zinc/18/92/75/484189275.db2.gz SXFZLUPFYTUXGS-CYBMUJFWSA-N 0 3 356.448 -0.085 20 0 FBADHN CN(C)CCOc1cc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)ccn1 ZINC000512529468 484188882 /nfs/dbraw/zinc/18/88/82/484188882.db2.gz SXFZLUPFYTUXGS-ZDUSSCGKSA-N 0 3 356.448 -0.085 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000512538194 484190694 /nfs/dbraw/zinc/19/06/94/484190694.db2.gz DWQXEZGQBZNVIC-UHFFFAOYSA-N 0 3 365.356 -0.251 20 0 FBADHN O=C(CNC(=O)NCCCCN1CCN(CCO)CC1)N1CCCCC1 ZINC000512577924 484191129 /nfs/dbraw/zinc/19/11/29/484191129.db2.gz NRYUXQJFJAYLNA-UHFFFAOYSA-N 0 3 369.510 -0.312 20 0 FBADHN C[C@H]1COCCN1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512586659 484190578 /nfs/dbraw/zinc/19/05/78/484190578.db2.gz IECWNPMBPZOXJX-KRWDZBQOSA-N 0 3 371.526 -0.604 20 0 FBADHN C[C@@H]1COCCN1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512586663 484190243 /nfs/dbraw/zinc/19/02/43/484190243.db2.gz IECWNPMBPZOXJX-QGZVFWFLSA-N 0 3 371.526 -0.604 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)NCCN1CCSCC1 ZINC000512607496 484190863 /nfs/dbraw/zinc/19/08/63/484190863.db2.gz UUAXOGGDCKODGT-UHFFFAOYSA-N 0 3 373.567 -0.276 20 0 FBADHN CC(C)(C)NC(=O)CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512641353 484192597 /nfs/dbraw/zinc/19/25/97/484192597.db2.gz GHTTZGCKCHACKJ-UHFFFAOYSA-N 0 3 357.499 -0.410 20 0 FBADHN C[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)N1CCOCC1 ZINC000512643022 484192304 /nfs/dbraw/zinc/19/23/04/484192304.db2.gz UXPFCVKOJWYLHF-KRWDZBQOSA-N 0 3 371.526 -0.604 20 0 FBADHN C[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)N1CCOCC1 ZINC000512643023 484192576 /nfs/dbraw/zinc/19/25/76/484192576.db2.gz UXPFCVKOJWYLHF-QGZVFWFLSA-N 0 3 371.526 -0.604 20 0 FBADHN CCN1CCN(CCC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC000512665952 484192327 /nfs/dbraw/zinc/19/23/27/484192327.db2.gz QLGGKASDFLUBHD-UHFFFAOYSA-N 0 3 361.446 -0.132 20 0 FBADHN C[C@@H](Cn1cccn1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512668615 484192412 /nfs/dbraw/zinc/19/24/12/484192412.db2.gz WAVFXDOLLWVRPH-INIZCTEOSA-N 0 3 352.483 -0.039 20 0 FBADHN C[C@H](Cn1cccn1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512668620 484192224 /nfs/dbraw/zinc/19/22/24/484192224.db2.gz WAVFXDOLLWVRPH-MRXNPFEDSA-N 0 3 352.483 -0.039 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512671852 484192520 /nfs/dbraw/zinc/19/25/20/484192520.db2.gz HMVCCFBRHMGPHX-KRWDZBQOSA-N 0 3 371.526 -0.604 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512671853 484191647 /nfs/dbraw/zinc/19/16/47/484191647.db2.gz HMVCCFBRHMGPHX-QGZVFWFLSA-N 0 3 371.526 -0.604 20 0 FBADHN CN(C)CCOc1cc(C(=O)N2CC(OCC(=O)N(C)C)C2)ccn1 ZINC000512676462 484191511 /nfs/dbraw/zinc/19/15/11/484191511.db2.gz CQVAFXIDYLLRAR-UHFFFAOYSA-N 0 3 350.419 -0.049 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512688820 484191757 /nfs/dbraw/zinc/19/17/57/484191757.db2.gz LTAOQKPXMMUZEZ-UHFFFAOYSA-N 0 3 355.483 -0.393 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCn2cccc2)CC1 ZINC000512754046 484196435 /nfs/dbraw/zinc/19/64/35/484196435.db2.gz AWYZDCBRVUXHGF-UHFFFAOYSA-N 0 3 361.446 -0.629 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NCCn2cccc2)CC1 ZINC000512754953 484913181 /nfs/dbraw/zinc/91/31/81/484913181.db2.gz GVYVKSPYFGOUAX-UHFFFAOYSA-N 0 3 363.462 -0.337 20 0 FBADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000512764397 484195900 /nfs/dbraw/zinc/19/59/00/484195900.db2.gz FTRLPEQCUNVOSH-JTQLQIEISA-N 0 3 353.375 -0.541 20 0 FBADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000512764398 484195729 /nfs/dbraw/zinc/19/57/29/484195729.db2.gz FTRLPEQCUNVOSH-SNVBAGLBSA-N 0 3 353.375 -0.541 20 0 FBADHN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000512764588 484196143 /nfs/dbraw/zinc/19/61/43/484196143.db2.gz IRDMFBRDQDZNCF-MRVPVSSYSA-N 0 3 359.329 -0.271 20 0 FBADHN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000512764589 484195677 /nfs/dbraw/zinc/19/56/77/484195677.db2.gz IRDMFBRDQDZNCF-QMMMGPOBSA-N 0 3 359.329 -0.271 20 0 FBADHN Cn1c2ncn(CCN3CC[C@H](COC(F)F)C3)c2c(=O)n(C)c1=O ZINC000512797585 484195994 /nfs/dbraw/zinc/19/59/94/484195994.db2.gz PEQZKLVKLFVKJT-JTQLQIEISA-N 0 3 357.361 -0.005 20 0 FBADHN Cn1c2ncn(CCN3CC[C@@H](COC(F)F)C3)c2c(=O)n(C)c1=O ZINC000512797586 484196686 /nfs/dbraw/zinc/19/66/86/484196686.db2.gz PEQZKLVKLFVKJT-SNVBAGLBSA-N 0 3 357.361 -0.005 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(C2CC2)CC1 ZINC000512808631 484198113 /nfs/dbraw/zinc/19/81/13/484198113.db2.gz QTTRRMBQMXPSAO-UHFFFAOYSA-N 0 3 353.511 -0.134 20 0 FBADHN C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)C(=O)NC(C)(C)C ZINC000512815187 484197699 /nfs/dbraw/zinc/19/76/99/484197699.db2.gz QECKFQZXOQQYGS-HNNXBMFYSA-N 0 3 371.526 -0.021 20 0 FBADHN C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)C(=O)NC(C)(C)C ZINC000512815189 484197309 /nfs/dbraw/zinc/19/73/09/484197309.db2.gz QECKFQZXOQQYGS-OAHLLOKOSA-N 0 3 371.526 -0.021 20 0 FBADHN COCCN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512847950 484197235 /nfs/dbraw/zinc/19/72/35/484197235.db2.gz XRYJSOAPFDBOGK-UHFFFAOYSA-N 0 3 371.526 -0.650 20 0 FBADHN CCN1CCN(CCCNC(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000512943142 484199284 /nfs/dbraw/zinc/19/92/84/484199284.db2.gz LCXAXRCSYZASJX-UHFFFAOYSA-N 0 3 357.480 -0.570 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1F ZINC000512970155 484198923 /nfs/dbraw/zinc/19/89/23/484198923.db2.gz OLXHDUDZPBNYOQ-GFCCVEGCSA-N 0 3 357.382 -0.172 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1F ZINC000512970156 484199414 /nfs/dbraw/zinc/19/94/14/484199414.db2.gz OLXHDUDZPBNYOQ-LBPRGKRZSA-N 0 3 357.382 -0.172 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000513061965 484201625 /nfs/dbraw/zinc/20/16/25/484201625.db2.gz PYEZMIUZYIXIFK-CVEARBPZSA-N 0 3 369.487 -0.016 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)[C@H]1CCOC1 ZINC000513061966 484201051 /nfs/dbraw/zinc/20/10/51/484201051.db2.gz PYEZMIUZYIXIFK-HOTGVXAUSA-N 0 3 369.487 -0.016 20 0 FBADHN COCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000513076238 484200780 /nfs/dbraw/zinc/20/07/80/484200780.db2.gz PVPLJNABJCGKLF-HNNXBMFYSA-N 0 3 357.476 -0.159 20 0 FBADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCN1CCCC1 ZINC000513103076 484202366 /nfs/dbraw/zinc/20/23/66/484202366.db2.gz QJCQNUSHIQLOIV-INIZCTEOSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCCN1CCCC1 ZINC000513103077 484202295 /nfs/dbraw/zinc/20/22/95/484202295.db2.gz QJCQNUSHIQLOIV-MRXNPFEDSA-N 0 3 352.479 -0.088 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000513201518 484204478 /nfs/dbraw/zinc/20/44/78/484204478.db2.gz ISZIOVUPNKLGDB-UHFFFAOYSA-N 0 3 369.487 -0.026 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000513225979 484204170 /nfs/dbraw/zinc/20/41/70/484204170.db2.gz KVWGIBNZLYVBED-AWEZNQCLSA-N 0 3 356.467 -0.820 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000513225980 484204202 /nfs/dbraw/zinc/20/42/02/484204202.db2.gz KVWGIBNZLYVBED-CQSZACIVSA-N 0 3 356.467 -0.820 20 0 FBADHN CCC(CC)(NC(=O)C1CN(CCC(=O)N2CCOCC2)C1)C(N)=O ZINC000513229218 484204284 /nfs/dbraw/zinc/20/42/84/484204284.db2.gz UFVPRIQUOZHENP-UHFFFAOYSA-N 0 3 354.451 -0.673 20 0 FBADHN CO[C@@H](C)CN(C)CC(=O)N1CCN(C(=O)CN(C)C[C@H](C)OC)CC1 ZINC000513236835 484205476 /nfs/dbraw/zinc/20/54/76/484205476.db2.gz PHPQJPGIJPKYHQ-HOTGVXAUSA-N 0 3 372.510 -0.409 20 0 FBADHN CO[C@H](C)CN(C)CC(=O)N1CCN(C(=O)CN(C)C[C@@H](C)OC)CC1 ZINC000513236836 484206528 /nfs/dbraw/zinc/20/65/28/484206528.db2.gz PHPQJPGIJPKYHQ-HZPDHXFCSA-N 0 3 372.510 -0.409 20 0 FBADHN CO[C@H](C)CN(C)CC(=O)N1CCN(C(=O)CN(C)C[C@H](C)OC)CC1 ZINC000513236837 484206061 /nfs/dbraw/zinc/20/60/61/484206061.db2.gz PHPQJPGIJPKYHQ-IYBDPMFKSA-N 0 3 372.510 -0.409 20 0 FBADHN CCC(CC)(NC(=O)C1CN(CCC(=O)N2CCN(C)CC2)C1)C(N)=O ZINC000513260968 484205938 /nfs/dbraw/zinc/20/59/38/484205938.db2.gz KZHPVRWJWLNZBZ-UHFFFAOYSA-N 0 3 367.494 -0.757 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@@H](C)O1 ZINC000513399853 484209933 /nfs/dbraw/zinc/20/99/33/484209933.db2.gz SZWHWOVXJWKTEJ-NQBHXWOUSA-N 0 3 363.432 -0.242 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@@H](C)O1 ZINC000513399854 484210306 /nfs/dbraw/zinc/21/03/06/484210306.db2.gz SZWHWOVXJWKTEJ-NTZNESFSSA-N 0 3 363.432 -0.242 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC(=O)N1CCOCC1 ZINC000513428648 484210490 /nfs/dbraw/zinc/21/04/90/484210490.db2.gz KOOUCNKLBLKAIS-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC(=O)N1CCOCC1 ZINC000513428649 484209833 /nfs/dbraw/zinc/20/98/33/484209833.db2.gz KOOUCNKLBLKAIS-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000513430213 484210032 /nfs/dbraw/zinc/21/00/32/484210032.db2.gz ZVRDKIPXQRIOMV-HNNXBMFYSA-N 0 3 369.510 -0.498 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000513430214 484210170 /nfs/dbraw/zinc/21/01/70/484210170.db2.gz ZVRDKIPXQRIOMV-OAHLLOKOSA-N 0 3 369.510 -0.498 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000513432815 484210135 /nfs/dbraw/zinc/21/01/35/484210135.db2.gz CDTKCYAPFQDHBC-KBPBESRZSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000513432816 484209733 /nfs/dbraw/zinc/20/97/33/484209733.db2.gz CDTKCYAPFQDHBC-KGLIPLIRSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000513432817 484210703 /nfs/dbraw/zinc/21/07/03/484210703.db2.gz CDTKCYAPFQDHBC-UONOGXRCSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000513432818 484210105 /nfs/dbraw/zinc/21/01/05/484210105.db2.gz CDTKCYAPFQDHBC-ZIAGYGMSSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCN1C(=O)CCC1=O ZINC000513433059 484209885 /nfs/dbraw/zinc/20/98/85/484209885.db2.gz FBFOWEHJFWKKHJ-CYBMUJFWSA-N 0 3 352.435 -0.416 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCN1C(=O)CCC1=O ZINC000513433060 484210587 /nfs/dbraw/zinc/21/05/87/484210587.db2.gz FBFOWEHJFWKKHJ-ZDUSSCGKSA-N 0 3 352.435 -0.416 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000513433748 484210088 /nfs/dbraw/zinc/21/00/88/484210088.db2.gz IWTYMDNUSQZYEL-GFCCVEGCSA-N 0 3 367.450 -0.624 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000513433749 484210564 /nfs/dbraw/zinc/21/05/64/484210564.db2.gz IWTYMDNUSQZYEL-LBPRGKRZSA-N 0 3 367.450 -0.624 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCN1C(=O)CNC1=O ZINC000513434060 484210746 /nfs/dbraw/zinc/21/07/46/484210746.db2.gz KGYMRGNGYWQTJJ-CYBMUJFWSA-N 0 3 367.450 -0.623 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCN1C(=O)CNC1=O ZINC000513434061 484210676 /nfs/dbraw/zinc/21/06/76/484210676.db2.gz KGYMRGNGYWQTJJ-ZDUSSCGKSA-N 0 3 367.450 -0.623 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCN1CCCS1(=O)=O ZINC000513434107 484209952 /nfs/dbraw/zinc/20/99/52/484209952.db2.gz KSCCCJARLBGALL-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCN1CCCS1(=O)=O ZINC000513434111 484210124 /nfs/dbraw/zinc/21/01/24/484210124.db2.gz KSCCCJARLBGALL-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(C)(C)N2CCOCC2)cn1 ZINC000513435092 484210650 /nfs/dbraw/zinc/21/06/50/484210650.db2.gz RRVUPRYFLYGUMD-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000513438880 484210529 /nfs/dbraw/zinc/21/05/29/484210529.db2.gz KCCMJCHRLJUGGT-GFCCVEGCSA-N 0 3 351.407 -0.992 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000513438882 484210063 /nfs/dbraw/zinc/21/00/63/484210063.db2.gz KCCMJCHRLJUGGT-LBPRGKRZSA-N 0 3 351.407 -0.992 20 0 FBADHN COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000513439043 484210207 /nfs/dbraw/zinc/21/02/07/484210207.db2.gz NKRWVPJDJSXKDI-CHWSQXEVSA-N 0 3 351.407 -0.301 20 0 FBADHN COC(=O)[C@H]1CC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000513439044 484210687 /nfs/dbraw/zinc/21/06/87/484210687.db2.gz NKRWVPJDJSXKDI-OLZOCXBDSA-N 0 3 351.407 -0.301 20 0 FBADHN COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000513439045 484210195 /nfs/dbraw/zinc/21/01/95/484210195.db2.gz NKRWVPJDJSXKDI-QWHCGFSZSA-N 0 3 351.407 -0.301 20 0 FBADHN COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000513439046 484210631 /nfs/dbraw/zinc/21/06/31/484210631.db2.gz NKRWVPJDJSXKDI-STQMWFEESA-N 0 3 351.407 -0.301 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1CCCS1(=O)=O ZINC000513441185 484212158 /nfs/dbraw/zinc/21/21/58/484212158.db2.gz XEMCELGIJOHEJN-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1CCCS1(=O)=O ZINC000513441186 484212108 /nfs/dbraw/zinc/21/21/08/484212108.db2.gz XEMCELGIJOHEJN-ZDUSSCGKSA-N 0 3 360.480 -0.919 20 0 FBADHN COCCN1C[C@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000513444093 484211753 /nfs/dbraw/zinc/21/17/53/484211753.db2.gz LZCMHBRNJOOUJU-CABCVRRESA-N 0 3 368.478 -0.460 20 0 FBADHN COCCN1C[C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000513444094 484211891 /nfs/dbraw/zinc/21/18/91/484211891.db2.gz LZCMHBRNJOOUJU-GJZGRUSLSA-N 0 3 368.478 -0.460 20 0 FBADHN COCCN1C[C@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1=O ZINC000513444095 484212225 /nfs/dbraw/zinc/21/22/25/484212225.db2.gz LZCMHBRNJOOUJU-HUUCEWRRSA-N 0 3 368.478 -0.460 20 0 FBADHN COCCN1C[C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1=O ZINC000513444096 484212264 /nfs/dbraw/zinc/21/22/64/484212264.db2.gz LZCMHBRNJOOUJU-LSDHHAIUSA-N 0 3 368.478 -0.460 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)NCCN(C)CCCOC)CC1 ZINC000513463088 484211535 /nfs/dbraw/zinc/21/15/35/484211535.db2.gz ZWYUKTWEIKMNKH-UHFFFAOYSA-N 0 3 350.485 -0.753 20 0 FBADHN CNC(=O)C[C@H](C)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000513631553 484216322 /nfs/dbraw/zinc/21/63/22/484216322.db2.gz CMJRIAXDUGAKEC-AWEZNQCLSA-N 0 3 369.491 -0.352 20 0 FBADHN CNC(=O)C[C@@H](C)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000513631554 484216058 /nfs/dbraw/zinc/21/60/58/484216058.db2.gz CMJRIAXDUGAKEC-CQSZACIVSA-N 0 3 369.491 -0.352 20 0 FBADHN CN(C)CCOc1cc(C(=O)N(CCO)CCN2CCOCC2)ccn1 ZINC000513805453 484588997 /nfs/dbraw/zinc/58/89/97/484588997.db2.gz QTEMEISNDIJZBM-UHFFFAOYSA-N 0 3 366.462 -0.211 20 0 FBADHN CC(C)(C(=O)NCCCCN1CCN(CCO)CC1)N1CCOCC1 ZINC000513809906 484219685 /nfs/dbraw/zinc/21/96/85/484219685.db2.gz RQPMQNORPKPTDM-UHFFFAOYSA-N 0 3 356.511 -0.397 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCc2nnnn2-c2ccccc2)CC1=O ZINC000513863660 484222184 /nfs/dbraw/zinc/22/21/84/484222184.db2.gz KPFDEFBUYZWRSD-AWEZNQCLSA-N 0 3 371.445 -0.269 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCc2nnnn2-c2ccccc2)CC1=O ZINC000513863661 484221376 /nfs/dbraw/zinc/22/13/76/484221376.db2.gz KPFDEFBUYZWRSD-CQSZACIVSA-N 0 3 371.445 -0.269 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(NC(=O)C(N)=O)c2)CC1=O ZINC000513883615 484222817 /nfs/dbraw/zinc/22/28/17/484222817.db2.gz HKZMAENFZKTDIN-LLVKDONJSA-N 0 3 361.402 -0.541 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(NC(=O)C(N)=O)c2)CC1=O ZINC000513883616 484223094 /nfs/dbraw/zinc/22/30/94/484223094.db2.gz HKZMAENFZKTDIN-NSHDSACASA-N 0 3 361.402 -0.541 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCN1CCOCC1 ZINC000513916706 484222742 /nfs/dbraw/zinc/22/27/42/484222742.db2.gz LQXWWESUQGGVPI-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCN1CCOCC1 ZINC000513916707 484223910 /nfs/dbraw/zinc/22/39/10/484223910.db2.gz LQXWWESUQGGVPI-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CC(=O)N(C)C1=O ZINC000513928972 484224912 /nfs/dbraw/zinc/22/49/12/484224912.db2.gz AIEQBLGTEMFGFA-CHWSQXEVSA-N 0 3 352.435 -0.608 20 0 FBADHN CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CC(=O)N(C)C1=O ZINC000513928973 484225243 /nfs/dbraw/zinc/22/52/43/484225243.db2.gz AIEQBLGTEMFGFA-OLZOCXBDSA-N 0 3 352.435 -0.608 20 0 FBADHN CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CC(=O)N(C)C1=O ZINC000513928974 484225079 /nfs/dbraw/zinc/22/50/79/484225079.db2.gz AIEQBLGTEMFGFA-QWHCGFSZSA-N 0 3 352.435 -0.608 20 0 FBADHN CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CC(=O)N(C)C1=O ZINC000513928975 484225400 /nfs/dbraw/zinc/22/54/00/484225400.db2.gz AIEQBLGTEMFGFA-STQMWFEESA-N 0 3 352.435 -0.608 20 0 FBADHN COCCN(C)CCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000514003640 484226861 /nfs/dbraw/zinc/22/68/61/484226861.db2.gz RKSFCKZSAMRKHB-UHFFFAOYSA-N 0 3 350.485 -0.465 20 0 FBADHN COCCCN(C)CCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000514014556 484226156 /nfs/dbraw/zinc/22/61/56/484226156.db2.gz AOPZQLPFAQLURU-UHFFFAOYSA-N 0 3 364.512 -0.075 20 0 FBADHN COCCN(C)CCCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000514019875 484226879 /nfs/dbraw/zinc/22/68/79/484226879.db2.gz 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484528209 /nfs/dbraw/zinc/52/82/09/484528209.db2.gz QQNLUFAKWBPOTC-HNNXBMFYSA-N 0 3 350.394 -0.597 20 0 FBADHN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NC1CNC1 ZINC000514591592 484528562 /nfs/dbraw/zinc/52/85/62/484528562.db2.gz QQNLUFAKWBPOTC-OAHLLOKOSA-N 0 3 350.394 -0.597 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000514596349 484528901 /nfs/dbraw/zinc/52/89/01/484528901.db2.gz SUWGKCXDHPVZJS-IXDOHACOSA-N 0 3 358.442 -0.517 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000514596350 484528013 /nfs/dbraw/zinc/52/80/13/484528013.db2.gz SUWGKCXDHPVZJS-YESZJQIVSA-N 0 3 358.442 -0.517 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000514602424 484530156 /nfs/dbraw/zinc/53/01/56/484530156.db2.gz NSPZJCRVHWAYFX-UONOGXRCSA-N 0 3 354.476 -0.237 20 0 FBADHN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1nc(N2CCNCC2)n[nH]1 ZINC000514602700 484529827 /nfs/dbraw/zinc/52/98/27/484529827.db2.gz TUDDCXQRHUNZDS-UHFFFAOYSA-N 0 3 370.373 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/nfs/dbraw/zinc/52/99/34/484529934.db2.gz GMRZWSGUEQJDOM-RDJZCZTQSA-N 0 3 365.522 -0.319 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000514609396 484529909 /nfs/dbraw/zinc/52/99/09/484529909.db2.gz GMRZWSGUEQJDOM-WBVHZDCISA-N 0 3 365.522 -0.319 20 0 FBADHN COC(=O)C1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000514619443 484531593 /nfs/dbraw/zinc/53/15/93/484531593.db2.gz ZFFINCBGRYHTDB-INIZCTEOSA-N 0 3 357.476 -0.049 20 0 FBADHN COC(=O)C1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000514619444 484531432 /nfs/dbraw/zinc/53/14/32/484531432.db2.gz ZFFINCBGRYHTDB-MRXNPFEDSA-N 0 3 357.476 -0.049 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCc3cnn(C)c3)C2)CC1 ZINC000514620206 484531559 /nfs/dbraw/zinc/53/15/59/484531559.db2.gz KCVFVHICGSEWSR-INIZCTEOSA-N 0 3 362.478 -0.337 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cnn(C)c3)C2)CC1 ZINC000514620207 484531012 /nfs/dbraw/zinc/53/10/12/484531012.db2.gz KCVFVHICGSEWSR-MRXNPFEDSA-N 0 3 362.478 -0.337 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000514620331 484531526 /nfs/dbraw/zinc/53/15/26/484531526.db2.gz YQIGPAISSVFDIM-CYBMUJFWSA-N 0 3 362.434 -0.829 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000514620332 484531363 /nfs/dbraw/zinc/53/13/63/484531363.db2.gz YQIGPAISSVFDIM-ZDUSSCGKSA-N 0 3 362.434 -0.829 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000514626929 484530223 /nfs/dbraw/zinc/53/02/23/484530223.db2.gz MJBKIZGZXUISTK-CYBMUJFWSA-N 0 3 362.496 -0.625 20 0 FBADHN COC(=O)C(C)(C)CS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000514628515 484531068 /nfs/dbraw/zinc/53/10/68/484531068.db2.gz HEMZSTSEMBMDLD-GFCCVEGCSA-N 0 3 363.480 -0.308 20 0 FBADHN COC(=O)C(C)(C)CS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000514628516 484531345 /nfs/dbraw/zinc/53/13/45/484531345.db2.gz HEMZSTSEMBMDLD-LBPRGKRZSA-N 0 3 363.480 -0.308 20 0 FBADHN CC(C)[C@H](CNCc1nccn1S(=O)(=O)N(C)C)N1CCN(C)CC1 ZINC000514637246 484532717 /nfs/dbraw/zinc/53/27/17/484532717.db2.gz NIVWOQLJWVBEMB-HNNXBMFYSA-N 0 3 372.539 -0.101 20 0 FBADHN CC(C)[C@@H](CNCc1nccn1S(=O)(=O)N(C)C)N1CCN(C)CC1 ZINC000514637249 484533025 /nfs/dbraw/zinc/53/30/25/484533025.db2.gz NIVWOQLJWVBEMB-OAHLLOKOSA-N 0 3 372.539 -0.101 20 0 FBADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000514637317 484532750 /nfs/dbraw/zinc/53/27/50/484532750.db2.gz OLHGVBRUKXPODU-UHFFFAOYSA-N 0 3 371.459 -0.402 20 0 FBADHN CCN1CCN(CC(=O)NCC2(SC)CCN(C)CC2)C(=O)C1=O ZINC000514640502 484539607 /nfs/dbraw/zinc/53/96/07/484539607.db2.gz RUYHTDNTAIONGE-UHFFFAOYSA-N 0 3 356.492 -0.379 20 0 FBADHN CN(C)CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514651477 484540199 /nfs/dbraw/zinc/54/01/99/484540199.db2.gz WCHFHQUKTXSMGL-UHFFFAOYSA-N 0 3 356.448 -0.656 20 0 FBADHN O=C(CN1CCOCC1=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000514659779 484544092 /nfs/dbraw/zinc/54/40/92/484544092.db2.gz QQFROHYUMLXDAN-UHFFFAOYSA-N 0 3 361.442 -0.012 20 0 FBADHN CCCCn1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c(C)n1 ZINC000514663534 484545792 /nfs/dbraw/zinc/54/57/92/484545792.db2.gz AIGIBDBKVWUAET-HNNXBMFYSA-N 0 3 350.467 -0.291 20 0 FBADHN CCCCn1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c(C)n1 ZINC000514663535 484544987 /nfs/dbraw/zinc/54/49/87/484544987.db2.gz AIGIBDBKVWUAET-OAHLLOKOSA-N 0 3 350.467 -0.291 20 0 FBADHN CO[C@@H]1COC[C@H]1NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000514670938 484493141 /nfs/dbraw/zinc/49/31/41/484493141.db2.gz MOPOAFCKUXYDJH-HUUCEWRRSA-N 0 3 371.459 -0.614 20 0 FBADHN CSCC[C@H](N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514671370 484493704 /nfs/dbraw/zinc/49/37/04/484493704.db2.gz GUHWDEZCUAPINA-OLZOCXBDSA-N 0 3 365.521 -0.280 20 0 FBADHN CSCC[C@H](N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514671371 484493538 /nfs/dbraw/zinc/49/35/38/484493538.db2.gz GUHWDEZCUAPINA-STQMWFEESA-N 0 3 365.521 -0.280 20 0 FBADHN CN(C)C(=O)COc1ccccc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000514671804 484494665 /nfs/dbraw/zinc/49/46/65/484494665.db2.gz AMDBBGUOYMZQOM-UHFFFAOYSA-N 0 3 373.417 -0.066 20 0 FBADHN [NH3+]CC1(O)CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000514672396 484494552 /nfs/dbraw/zinc/49/45/52/484494552.db2.gz OGEGISOGACLWTN-UHFFFAOYSA-N 0 3 367.880 -0.008 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)CC1=O ZINC000514675420 485185873 /nfs/dbraw/zinc/18/58/73/485185873.db2.gz RRTMKTPDELZODT-CABCVRRESA-N 0 3 363.462 -0.259 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)CC1=O ZINC000514675421 485185501 /nfs/dbraw/zinc/18/55/01/485185501.db2.gz RRTMKTPDELZODT-GJZGRUSLSA-N 0 3 363.462 -0.259 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCc3cncn3C2)CC1=O ZINC000514675424 485185642 /nfs/dbraw/zinc/18/56/42/485185642.db2.gz RRTMKTPDELZODT-HUUCEWRRSA-N 0 3 363.462 -0.259 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCc3cncn3C2)CC1=O ZINC000514675426 485185971 /nfs/dbraw/zinc/18/59/71/485185971.db2.gz RRTMKTPDELZODT-LSDHHAIUSA-N 0 3 363.462 -0.259 20 0 FBADHN Cc1n[nH]cc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000514682010 484630354 /nfs/dbraw/zinc/63/03/54/484630354.db2.gz CWPCOEMSSLONCZ-UHFFFAOYSA-N 0 3 362.434 -0.899 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@]2(C)CCC[NH2+]C2)cn1C ZINC000514724873 485278694 /nfs/dbraw/zinc/27/86/94/485278694.db2.gz DTAYRTSQYQODLL-HNNXBMFYSA-N 0 3 357.480 -0.097 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@]2(C)CCC[NH2+]C2)cn1C ZINC000514724874 485278635 /nfs/dbraw/zinc/27/86/35/485278635.db2.gz DTAYRTSQYQODLL-OAHLLOKOSA-N 0 3 357.480 -0.097 20 0 FBADHN CC(=O)c1ccc(OC[C@H](O)CN[C@H](CO)CN2CCOCC2)cc1 ZINC000514726486 485278643 /nfs/dbraw/zinc/27/86/43/485278643.db2.gz UXELJWSMUFYIIZ-DLBZAZTESA-N 0 3 352.431 -0.088 20 0 FBADHN CC(=O)c1ccc(OC[C@H](O)CN[C@@H](CO)CN2CCOCC2)cc1 ZINC000514726492 485278322 /nfs/dbraw/zinc/27/83/22/485278322.db2.gz UXELJWSMUFYIIZ-IAGOWNOFSA-N 0 3 352.431 -0.088 20 0 FBADHN CC(=O)c1ccc(OC[C@@H](O)CN[C@H](CO)CN2CCOCC2)cc1 ZINC000514726493 485279017 /nfs/dbraw/zinc/27/90/17/485279017.db2.gz UXELJWSMUFYIIZ-IRXDYDNUSA-N 0 3 352.431 -0.088 20 0 FBADHN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](CO)CN2CCOCC2)cc1 ZINC000514726494 485279068 /nfs/dbraw/zinc/27/90/68/485279068.db2.gz UXELJWSMUFYIIZ-SJORKVTESA-N 0 3 352.431 -0.088 20 0 FBADHN Cc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)OCO2 ZINC000514734847 485278711 /nfs/dbraw/zinc/27/87/11/485278711.db2.gz OAYWAYLRBDFIFQ-GHMZBOCLSA-N 0 3 353.400 -0.344 20 0 FBADHN Cc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)OCO2 ZINC000514734848 485278366 /nfs/dbraw/zinc/27/83/66/485278366.db2.gz OAYWAYLRBDFIFQ-MNOVXSKESA-N 0 3 353.400 -0.344 20 0 FBADHN Cc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)OCO2 ZINC000514734849 485278431 /nfs/dbraw/zinc/27/84/31/485278431.db2.gz OAYWAYLRBDFIFQ-QWRGUYRKSA-N 0 3 353.400 -0.344 20 0 FBADHN Cc1cc2c(cc1S(=O)(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)OCO2 ZINC000514734850 485278797 /nfs/dbraw/zinc/27/87/97/485278797.db2.gz OAYWAYLRBDFIFQ-WDEREUQCSA-N 0 3 353.400 -0.344 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(C4CC4)cc3)CCN2C1=O ZINC000514735197 485279044 /nfs/dbraw/zinc/27/90/44/485279044.db2.gz ACWXSUWZJXDVRF-CVEARBPZSA-N 0 3 356.426 -0.049 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(C4CC4)cc3)CCN2C1=O ZINC000514735200 485278390 /nfs/dbraw/zinc/27/83/90/485278390.db2.gz ACWXSUWZJXDVRF-HOTGVXAUSA-N 0 3 356.426 -0.049 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(C4CC4)cc3)CCN2C1=O ZINC000514735202 485278379 /nfs/dbraw/zinc/27/83/79/485278379.db2.gz ACWXSUWZJXDVRF-HZPDHXFCSA-N 0 3 356.426 -0.049 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(C4CC4)cc3)CCN2C1=O ZINC000514735204 485278788 /nfs/dbraw/zinc/27/87/88/485278788.db2.gz ACWXSUWZJXDVRF-JKSUJKDBSA-N 0 3 356.426 -0.049 20 0 FBADHN Cc1ccc(CC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)o1 ZINC000514735974 485278670 /nfs/dbraw/zinc/27/86/70/485278670.db2.gz HBMPLQZCNLWXHR-CORIIIEPSA-N 0 3 362.430 -0.204 20 0 FBADHN Cc1ccc(CC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)o1 ZINC000514735976 485278574 /nfs/dbraw/zinc/27/85/74/485278574.db2.gz HBMPLQZCNLWXHR-LNSITVRQSA-N 0 3 362.430 -0.204 20 0 FBADHN Cc1ccc(CC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)o1 ZINC000514735977 485278772 /nfs/dbraw/zinc/27/87/72/485278772.db2.gz HBMPLQZCNLWXHR-NJZAAPMLSA-N 0 3 362.430 -0.204 20 0 FBADHN Cc1ccc(CC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)o1 ZINC000514735978 485279058 /nfs/dbraw/zinc/27/90/58/485279058.db2.gz HBMPLQZCNLWXHR-WHOFXGATSA-N 0 3 362.430 -0.204 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000514737625 485278623 /nfs/dbraw/zinc/27/86/23/485278623.db2.gz YZTZSAYDLNAGLE-GFCCVEGCSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000514737628 485278615 /nfs/dbraw/zinc/27/86/15/485278615.db2.gz YZTZSAYDLNAGLE-LBPRGKRZSA-N 0 3 350.423 -0.457 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000514750881 485279576 /nfs/dbraw/zinc/27/95/76/485279576.db2.gz OMUCESLAOUPEFP-UHFFFAOYSA-N 0 3 363.462 -0.580 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCc2ccn(C)n2)CC1 ZINC000514755979 485278813 /nfs/dbraw/zinc/27/88/13/485278813.db2.gz SXRSMPZZERHXEG-UHFFFAOYSA-N 0 3 372.429 -0.169 20 0 FBADHN CCN1CCN(CCCCNC(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000514763077 485279761 /nfs/dbraw/zinc/27/97/61/485279761.db2.gz BMXYFEFYUIJTGC-UHFFFAOYSA-N 0 3 363.528 -0.405 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccc3ccccc3n2)[C@@H](CN)C1 ZINC000514784417 485279901 /nfs/dbraw/zinc/27/99/01/485279901.db2.gz VRLIOOXHCPVQAT-INIZCTEOSA-N 0 3 355.442 -0.005 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccc3ccccc3n2)[C@H](CN)C1 ZINC000514784418 485279923 /nfs/dbraw/zinc/27/99/23/485279923.db2.gz VRLIOOXHCPVQAT-MRXNPFEDSA-N 0 3 355.442 -0.005 20 0 FBADHN Cc1ccccc1[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCO1 ZINC000514787692 485279671 /nfs/dbraw/zinc/27/96/71/485279671.db2.gz DFUMMSHATGNMAD-DOTOQJQBSA-N 0 3 360.458 -0.004 20 0 FBADHN Cc1ccccc1[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCO1 ZINC000514787693 485280056 /nfs/dbraw/zinc/28/00/56/485280056.db2.gz DFUMMSHATGNMAD-NVXWUHKLSA-N 0 3 360.458 -0.004 20 0 FBADHN Cc1ccccc1[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCO1 ZINC000514787694 485279728 /nfs/dbraw/zinc/27/97/28/485279728.db2.gz DFUMMSHATGNMAD-RDJZCZTQSA-N 0 3 360.458 -0.004 20 0 FBADHN Cc1ccccc1[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCO1 ZINC000514787695 485279403 /nfs/dbraw/zinc/27/94/03/485279403.db2.gz DFUMMSHATGNMAD-WBVHZDCISA-N 0 3 360.458 -0.004 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CCN(C)C[C@H]43)C[C@H]2N)cn1 ZINC000514789053 485279483 /nfs/dbraw/zinc/27/94/83/485279483.db2.gz UAKJXZDKWUVXRA-ARLBYUKCSA-N 0 3 360.462 -0.774 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)C[C@H]2N)cn1 ZINC000514789054 485279561 /nfs/dbraw/zinc/27/95/61/485279561.db2.gz UAKJXZDKWUVXRA-BVUBDWEXSA-N 0 3 360.462 -0.774 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)C[C@H]2N)cn1 ZINC000514789055 485279706 /nfs/dbraw/zinc/27/97/06/485279706.db2.gz UAKJXZDKWUVXRA-HNKHHVNMSA-N 0 3 360.462 -0.774 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CCN(C)C[C@H]43)C[C@H]2N)cn1 ZINC000514789056 485279824 /nfs/dbraw/zinc/27/98/24/485279824.db2.gz UAKJXZDKWUVXRA-SLBVQIDZSA-N 0 3 360.462 -0.774 20 0 FBADHN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)nn1 ZINC000514789835 485279614 /nfs/dbraw/zinc/27/96/14/485279614.db2.gz UXRBJQUEVLMTDT-UHFFFAOYSA-N 0 3 361.410 -0.327 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000514825756 485281199 /nfs/dbraw/zinc/28/11/99/485281199.db2.gz JFXCUNJAHXLDEY-HNNXBMFYSA-N 0 3 367.494 -0.885 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000514825757 485280503 /nfs/dbraw/zinc/28/05/03/485280503.db2.gz JFXCUNJAHXLDEY-OAHLLOKOSA-N 0 3 367.494 -0.885 20 0 FBADHN C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN(C)C ZINC000514826575 485280536 /nfs/dbraw/zinc/28/05/36/485280536.db2.gz NSINFDSXNOIVIE-LLVKDONJSA-N 0 3 353.423 -0.967 20 0 FBADHN C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN(C)C ZINC000514826576 485280852 /nfs/dbraw/zinc/28/08/52/485280852.db2.gz NSINFDSXNOIVIE-NSHDSACASA-N 0 3 353.423 -0.967 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000514828630 485280837 /nfs/dbraw/zinc/28/08/37/485280837.db2.gz HGCYGHHTVVIROW-UHFFFAOYSA-N 0 3 366.466 -0.210 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000514844171 485282623 /nfs/dbraw/zinc/28/26/23/485282623.db2.gz VJDMGVCMJDKNLM-GOSISDBHSA-N 0 3 352.479 -0.279 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000514844172 485281692 /nfs/dbraw/zinc/28/16/92/485281692.db2.gz VJDMGVCMJDKNLM-SFHVURJKSA-N 0 3 352.479 -0.279 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)[C@@H]2C1 ZINC000514856971 485282249 /nfs/dbraw/zinc/28/22/49/485282249.db2.gz NIMPTIKKQXCUNS-GVDBMIGSSA-N 0 3 364.490 -0.280 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)[C@@H]2C1 ZINC000514856972 485282316 /nfs/dbraw/zinc/28/23/16/485282316.db2.gz NIMPTIKKQXCUNS-YESZJQIVSA-N 0 3 364.490 -0.280 20 0 FBADHN NC[C@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000514858045 485281763 /nfs/dbraw/zinc/28/17/63/485281763.db2.gz MFDPYCSBUGNMGH-HNNXBMFYSA-N 0 3 352.460 -0.825 20 0 FBADHN NC[C@@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000514858046 485282524 /nfs/dbraw/zinc/28/25/24/485282524.db2.gz MFDPYCSBUGNMGH-OAHLLOKOSA-N 0 3 352.460 -0.825 20 0 FBADHN CC[C@@H](N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000514860196 485282544 /nfs/dbraw/zinc/28/25/44/485282544.db2.gz XFALPIIUGQOFQY-CYBMUJFWSA-N 0 3 355.464 -0.613 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514866425 485283458 /nfs/dbraw/zinc/28/34/58/485283458.db2.gz UFIGNTWNCAWIQZ-KBPBESRZSA-N 0 3 362.496 -0.588 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514866426 485283540 /nfs/dbraw/zinc/28/35/40/485283540.db2.gz UFIGNTWNCAWIQZ-KGLIPLIRSA-N 0 3 362.496 -0.588 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514866427 485283349 /nfs/dbraw/zinc/28/33/49/485283349.db2.gz UFIGNTWNCAWIQZ-UONOGXRCSA-N 0 3 362.496 -0.588 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514866428 485283436 /nfs/dbraw/zinc/28/34/36/485283436.db2.gz UFIGNTWNCAWIQZ-ZIAGYGMSSA-N 0 3 362.496 -0.588 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)O1 ZINC000514893467 485283604 /nfs/dbraw/zinc/28/36/04/485283604.db2.gz IUAHPNYDRZWTBY-HZSPNIEDSA-N 0 3 355.435 -0.234 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)O1 ZINC000514893468 485283670 /nfs/dbraw/zinc/28/36/70/485283670.db2.gz IUAHPNYDRZWTBY-MELADBBJSA-N 0 3 355.435 -0.234 20 0 FBADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)NC[C@H](C)N(C)C)c[nH]1)N(C)C ZINC000514911757 485283634 /nfs/dbraw/zinc/28/36/34/485283634.db2.gz BUPWLEJZKZPFKY-RYUDHWBXSA-N 0 3 359.496 -0.077 20 0 FBADHN CCN1CCCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000514919368 485283132 /nfs/dbraw/zinc/28/31/32/485283132.db2.gz DAXNNACMTAMWLT-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@H](CN)C1 ZINC000514925479 485285090 /nfs/dbraw/zinc/28/50/90/485285090.db2.gz OTZGISWXCMGZIA-DLBZAZTESA-N 0 3 359.474 -0.522 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@H](CN)C1 ZINC000514925480 485284915 /nfs/dbraw/zinc/28/49/15/485284915.db2.gz OTZGISWXCMGZIA-IAGOWNOFSA-N 0 3 359.474 -0.522 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000514925481 485284607 /nfs/dbraw/zinc/28/46/07/485284607.db2.gz OTZGISWXCMGZIA-IRXDYDNUSA-N 0 3 359.474 -0.522 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000514925482 485284661 /nfs/dbraw/zinc/28/46/61/485284661.db2.gz OTZGISWXCMGZIA-SJORKVTESA-N 0 3 359.474 -0.522 20 0 FBADHN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000514925759 485284320 /nfs/dbraw/zinc/28/43/20/485284320.db2.gz UBCJUQPQBMVOIT-DGFSRKRXSA-N 0 3 361.446 -0.012 20 0 FBADHN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000514925760 485284757 /nfs/dbraw/zinc/28/47/57/485284757.db2.gz UBCJUQPQBMVOIT-RIEGTJTDSA-N 0 3 361.446 -0.012 20 0 FBADHN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C2 ZINC000514925761 485284636 /nfs/dbraw/zinc/28/46/36/485284636.db2.gz UBCJUQPQBMVOIT-VZJVUDMVSA-N 0 3 361.446 -0.012 20 0 FBADHN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C2 ZINC000514925762 485285016 /nfs/dbraw/zinc/28/50/16/485285016.db2.gz UBCJUQPQBMVOIT-XEGUGMAKSA-N 0 3 361.446 -0.012 20 0 FBADHN O=C(NCCNC[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1cnccn1 ZINC000514933093 485285956 /nfs/dbraw/zinc/28/59/56/485285956.db2.gz NVYILQMEQPEEBC-GFCCVEGCSA-N 0 3 369.381 -0.547 20 0 FBADHN O=C(NCCNC[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cnccn1 ZINC000514933094 485285593 /nfs/dbraw/zinc/28/55/93/485285593.db2.gz NVYILQMEQPEEBC-LBPRGKRZSA-N 0 3 369.381 -0.547 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1C(=O)N(C)C ZINC000514941947 485284954 /nfs/dbraw/zinc/28/49/54/485284954.db2.gz MAUMFAXACXSEMJ-GFCCVEGCSA-N 0 3 370.475 -0.340 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1C(=O)N(C)C ZINC000514941948 485285063 /nfs/dbraw/zinc/28/50/63/485285063.db2.gz MAUMFAXACXSEMJ-LBPRGKRZSA-N 0 3 370.475 -0.340 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000514956435 485284410 /nfs/dbraw/zinc/28/44/10/485284410.db2.gz AIPMITILBYSTOB-AAEUAGOBSA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000514956436 485284439 /nfs/dbraw/zinc/28/44/39/485284439.db2.gz AIPMITILBYSTOB-DGCLKSJQSA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000514956437 485284484 /nfs/dbraw/zinc/28/44/84/485284484.db2.gz AIPMITILBYSTOB-WCQYABFASA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000514956438 485285036 /nfs/dbraw/zinc/28/50/36/485285036.db2.gz AIPMITILBYSTOB-YPMHNXCESA-N 0 3 360.480 -0.875 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000514958217 485285987 /nfs/dbraw/zinc/28/59/87/485285987.db2.gz KYIFGPMYWKGZRQ-CABCVRRESA-N 0 3 354.451 -0.660 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000514958218 485285373 /nfs/dbraw/zinc/28/53/73/485285373.db2.gz KYIFGPMYWKGZRQ-GJZGRUSLSA-N 0 3 354.451 -0.660 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000514958219 485286093 /nfs/dbraw/zinc/28/60/93/485286093.db2.gz KYIFGPMYWKGZRQ-HUUCEWRRSA-N 0 3 354.451 -0.660 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000514958220 485285483 /nfs/dbraw/zinc/28/54/83/485285483.db2.gz KYIFGPMYWKGZRQ-LSDHHAIUSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000514961184 485286163 /nfs/dbraw/zinc/28/61/63/485286163.db2.gz MKZQHUKUVMMFST-CABCVRRESA-N 0 3 366.462 -0.563 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000514961185 485285393 /nfs/dbraw/zinc/28/53/93/485285393.db2.gz MKZQHUKUVMMFST-GJZGRUSLSA-N 0 3 366.462 -0.563 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000514961186 485285709 /nfs/dbraw/zinc/28/57/09/485285709.db2.gz MKZQHUKUVMMFST-HUUCEWRRSA-N 0 3 366.462 -0.563 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000514961187 485285443 /nfs/dbraw/zinc/28/54/43/485285443.db2.gz MKZQHUKUVMMFST-LSDHHAIUSA-N 0 3 366.462 -0.563 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)N(C)C)cc1 ZINC000515005148 485285916 /nfs/dbraw/zinc/28/59/16/485285916.db2.gz FEBWNKNEYDRHOW-DLBZAZTESA-N 0 3 361.490 -0.185 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)N(C)C)cc1 ZINC000515005149 485285551 /nfs/dbraw/zinc/28/55/51/485285551.db2.gz FEBWNKNEYDRHOW-IAGOWNOFSA-N 0 3 361.490 -0.185 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)N(C)C)cc1 ZINC000515005150 485285618 /nfs/dbraw/zinc/28/56/18/485285618.db2.gz FEBWNKNEYDRHOW-IRXDYDNUSA-N 0 3 361.490 -0.185 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)N(C)C)cc1 ZINC000515005151 485285408 /nfs/dbraw/zinc/28/54/08/485285408.db2.gz FEBWNKNEYDRHOW-SJORKVTESA-N 0 3 361.490 -0.185 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000515008428 485286982 /nfs/dbraw/zinc/28/69/82/485286982.db2.gz YBINHEIDUIWSMJ-CHWSQXEVSA-N 0 3 351.451 -0.351 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000515008430 485286899 /nfs/dbraw/zinc/28/68/99/485286899.db2.gz YBINHEIDUIWSMJ-OLZOCXBDSA-N 0 3 351.451 -0.351 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000515008431 485286880 /nfs/dbraw/zinc/28/68/80/485286880.db2.gz YBINHEIDUIWSMJ-QWHCGFSZSA-N 0 3 351.451 -0.351 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000515008433 485286682 /nfs/dbraw/zinc/28/66/82/485286682.db2.gz YBINHEIDUIWSMJ-STQMWFEESA-N 0 3 351.451 -0.351 20 0 FBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC000515010011 485286585 /nfs/dbraw/zinc/28/65/85/485286585.db2.gz HAOUGMHWQSJYLV-KRWDZBQOSA-N 0 3 370.494 -0.214 20 0 FBADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H]4C[C@@H]4N)CC3)C2=O)n(C)n1 ZINC000515053670 485287602 /nfs/dbraw/zinc/28/76/02/485287602.db2.gz IFLYDGAQKFRNFR-ILXRZTDVSA-N 0 3 360.462 -0.285 20 0 FBADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@@H]4C[C@@H]4N)CC3)C2=O)n(C)n1 ZINC000515053671 485287652 /nfs/dbraw/zinc/28/76/52/485287652.db2.gz IFLYDGAQKFRNFR-QLFBSQMISA-N 0 3 360.462 -0.285 20 0 FBADHN CS(=O)(=O)C1(CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000515055733 485288202 /nfs/dbraw/zinc/28/82/02/485288202.db2.gz ZOHYAPHPUMEJKK-LLVKDONJSA-N 0 3 352.412 -0.190 20 0 FBADHN CS(=O)(=O)C1(CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000515055734 485287941 /nfs/dbraw/zinc/28/79/41/485287941.db2.gz ZOHYAPHPUMEJKK-NSHDSACASA-N 0 3 352.412 -0.190 20 0 FBADHN C[C@@]1(c2ccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)NC(=O)[N-]C1=O ZINC000515058640 485288355 /nfs/dbraw/zinc/28/83/55/485288355.db2.gz YQVLRGFAOQOMDO-BEFAXECRSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@]1(c2ccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)NC(=O)[N-]C1=O ZINC000515058641 485288345 /nfs/dbraw/zinc/28/83/45/485288345.db2.gz YQVLRGFAOQOMDO-DNVCBOLYSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@]1(c2ccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc2)NC(=O)[N-]C1=O ZINC000515058642 485287491 /nfs/dbraw/zinc/28/74/91/485287491.db2.gz YQVLRGFAOQOMDO-HNAYVOBHSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@@]1(c2ccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc2)NC(=O)[N-]C1=O ZINC000515058643 485287499 /nfs/dbraw/zinc/28/74/99/485287499.db2.gz YQVLRGFAOQOMDO-KXBFYZLASA-N 0 3 371.441 -0.139 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000515064957 485288031 /nfs/dbraw/zinc/28/80/31/485288031.db2.gz JPFJHHQVMQVLGR-UHFFFAOYSA-N 0 3 363.528 -0.743 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000515073866 485287529 /nfs/dbraw/zinc/28/75/29/485287529.db2.gz LPTFZGHGTCWMBT-FPMFFAJLSA-N 0 3 370.417 -0.323 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nnnn1-c1ccccc1 ZINC000515073867 485287699 /nfs/dbraw/zinc/28/76/99/485287699.db2.gz LPTFZGHGTCWMBT-IACUBPJLSA-N 0 3 370.417 -0.323 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000515073869 485287564 /nfs/dbraw/zinc/28/75/64/485287564.db2.gz LPTFZGHGTCWMBT-UBHSHLNASA-N 0 3 370.417 -0.323 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1nnnn1-c1ccccc1 ZINC000515073872 485287756 /nfs/dbraw/zinc/28/77/56/485287756.db2.gz LPTFZGHGTCWMBT-YUTCNCBUSA-N 0 3 370.417 -0.323 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000515078167 485288163 /nfs/dbraw/zinc/28/81/63/485288163.db2.gz XUQRLBASGPYTHB-DLBZAZTESA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000515078168 485288082 /nfs/dbraw/zinc/28/80/82/485288082.db2.gz XUQRLBASGPYTHB-IAGOWNOFSA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000515078169 485287725 /nfs/dbraw/zinc/28/77/25/485287725.db2.gz XUQRLBASGPYTHB-IRXDYDNUSA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000515078170 485288132 /nfs/dbraw/zinc/28/81/32/485288132.db2.gz XUQRLBASGPYTHB-SJORKVTESA-N 0 3 367.538 -0.023 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000515118879 485289670 /nfs/dbraw/zinc/28/96/70/485289670.db2.gz SLFXGRHGGKAPEI-CABCVRRESA-N 0 3 351.513 -0.281 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000515118880 485289439 /nfs/dbraw/zinc/28/94/39/485289439.db2.gz SLFXGRHGGKAPEI-GJZGRUSLSA-N 0 3 351.513 -0.281 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000515118881 485288792 /nfs/dbraw/zinc/28/87/92/485288792.db2.gz SLFXGRHGGKAPEI-HUUCEWRRSA-N 0 3 351.513 -0.281 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000515118882 485289095 /nfs/dbraw/zinc/28/90/95/485289095.db2.gz SLFXGRHGGKAPEI-LSDHHAIUSA-N 0 3 351.513 -0.281 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOCC4(CCOCC4)C3)C[C@@H]21 ZINC000515136021 485290448 /nfs/dbraw/zinc/29/04/48/485290448.db2.gz MITYOXYHJXDGFS-CABCVRRESA-N 0 3 351.447 -0.196 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1OC ZINC000515144738 485290300 /nfs/dbraw/zinc/29/03/00/485290300.db2.gz CLYLRGUXXKSJPU-AWEZNQCLSA-N 0 3 364.446 -0.189 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1OC ZINC000515144739 485290313 /nfs/dbraw/zinc/29/03/13/485290313.db2.gz CLYLRGUXXKSJPU-CQSZACIVSA-N 0 3 364.446 -0.189 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000515212736 485291514 /nfs/dbraw/zinc/29/15/14/485291514.db2.gz WZJOJLLUOYSJQS-KBPBESRZSA-N 0 3 362.496 -0.444 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000515212737 485291099 /nfs/dbraw/zinc/29/10/99/485291099.db2.gz WZJOJLLUOYSJQS-KGLIPLIRSA-N 0 3 362.496 -0.444 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000515212738 485291336 /nfs/dbraw/zinc/29/13/36/485291336.db2.gz WZJOJLLUOYSJQS-UONOGXRCSA-N 0 3 362.496 -0.444 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000515212739 485291759 /nfs/dbraw/zinc/29/17/59/485291759.db2.gz WZJOJLLUOYSJQS-ZIAGYGMSSA-N 0 3 362.496 -0.444 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000515232015 485292345 /nfs/dbraw/zinc/29/23/45/485292345.db2.gz UWNPXGBZVXKTFI-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000515232016 485292626 /nfs/dbraw/zinc/29/26/26/485292626.db2.gz UWNPXGBZVXKTFI-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000515232017 485292516 /nfs/dbraw/zinc/29/25/16/485292516.db2.gz UWNPXGBZVXKTFI-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000515232018 485292791 /nfs/dbraw/zinc/29/27/91/485292791.db2.gz UWNPXGBZVXKTFI-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN CCn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 ZINC000515273528 485292434 /nfs/dbraw/zinc/29/24/34/485292434.db2.gz VZMXGPATNLDPFC-AWEZNQCLSA-N 0 3 360.418 -0.058 20 0 FBADHN CCn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 ZINC000515273529 485292639 /nfs/dbraw/zinc/29/26/39/485292639.db2.gz VZMXGPATNLDPFC-CQSZACIVSA-N 0 3 360.418 -0.058 20 0 FBADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000515273545 485292467 /nfs/dbraw/zinc/29/24/67/485292467.db2.gz YHKVTOYHTUYYQW-AWEZNQCLSA-N 0 3 373.413 -0.372 20 0 FBADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000515273546 485292762 /nfs/dbraw/zinc/29/27/62/485292762.db2.gz YHKVTOYHTUYYQW-CQSZACIVSA-N 0 3 373.413 -0.372 20 0 FBADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 ZINC000515274407 485292377 /nfs/dbraw/zinc/29/23/77/485292377.db2.gz UUNQEFMPSZLROM-CYBMUJFWSA-N 0 3 350.419 -0.278 20 0 FBADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 ZINC000515274408 485292301 /nfs/dbraw/zinc/29/23/01/485292301.db2.gz UUNQEFMPSZLROM-ZDUSSCGKSA-N 0 3 350.419 -0.278 20 0 FBADHN CC(=O)NCCN(C)C(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000515300882 485293241 /nfs/dbraw/zinc/29/32/41/485293241.db2.gz VBJRSUWTKTYJMW-UHFFFAOYSA-N 0 3 356.467 -0.414 20 0 FBADHN O=C(CN1CCNCC1=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000515302650 485295062 /nfs/dbraw/zinc/29/50/62/485295062.db2.gz ZRSWDSZZNMGHSN-UHFFFAOYSA-N 0 3 373.457 -0.118 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000515307172 485294892 /nfs/dbraw/zinc/29/48/92/485294892.db2.gz CNKUCUVVEHCHRN-AWEZNQCLSA-N 0 3 370.494 -0.166 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000515307173 485294563 /nfs/dbraw/zinc/29/45/63/485294563.db2.gz CNKUCUVVEHCHRN-CQSZACIVSA-N 0 3 370.494 -0.166 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000515307305 485294528 /nfs/dbraw/zinc/29/45/28/485294528.db2.gz MAORUXQXBLANOC-UHFFFAOYSA-N 0 3 352.439 -0.805 20 0 FBADHN COc1cccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000515312130 485293548 /nfs/dbraw/zinc/29/35/48/485293548.db2.gz FIKLOUDWZXMBFJ-CORIIIEPSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1cccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000515312131 485293846 /nfs/dbraw/zinc/29/38/46/485293846.db2.gz FIKLOUDWZXMBFJ-LNSITVRQSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1cccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000515312132 485293789 /nfs/dbraw/zinc/29/37/89/485293789.db2.gz FIKLOUDWZXMBFJ-NJZAAPMLSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1cccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000515312133 485293822 /nfs/dbraw/zinc/29/38/22/485293822.db2.gz FIKLOUDWZXMBFJ-WHOFXGATSA-N 0 3 360.414 -0.357 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(C)o1 ZINC000515312355 485293411 /nfs/dbraw/zinc/29/34/11/485293411.db2.gz LOPHYSYWGYQCOJ-AGIUHOORSA-N 0 3 364.402 -0.838 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(C)o1 ZINC000515312356 485293402 /nfs/dbraw/zinc/29/34/02/485293402.db2.gz LOPHYSYWGYQCOJ-AVGNSLFASA-N 0 3 364.402 -0.838 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(C)o1 ZINC000515312357 485293527 /nfs/dbraw/zinc/29/35/27/485293527.db2.gz LOPHYSYWGYQCOJ-UPJWGTAASA-N 0 3 364.402 -0.838 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(C)o1 ZINC000515312358 485293448 /nfs/dbraw/zinc/29/34/48/485293448.db2.gz LOPHYSYWGYQCOJ-XQQFMLRXSA-N 0 3 364.402 -0.838 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000515323859 485294549 /nfs/dbraw/zinc/29/45/49/485294549.db2.gz HMYUUJTWWWWTSE-UHFFFAOYSA-N 0 3 363.462 -0.580 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)CCCO1 ZINC000515324999 485294417 /nfs/dbraw/zinc/29/44/17/485294417.db2.gz DXIBBRVBDHNDAE-CABCVRRESA-N 0 3 363.462 -0.069 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)CCCO1 ZINC000515325000 485294700 /nfs/dbraw/zinc/29/47/00/485294700.db2.gz DXIBBRVBDHNDAE-GJZGRUSLSA-N 0 3 363.462 -0.069 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CCCO1 ZINC000515325001 485294627 /nfs/dbraw/zinc/29/46/27/485294627.db2.gz DXIBBRVBDHNDAE-HUUCEWRRSA-N 0 3 363.462 -0.069 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CCCO1 ZINC000515325002 485294841 /nfs/dbraw/zinc/29/48/41/485294841.db2.gz DXIBBRVBDHNDAE-LSDHHAIUSA-N 0 3 363.462 -0.069 20 0 FBADHN CO[C@H](CN)C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000515338834 485294953 /nfs/dbraw/zinc/29/49/53/485294953.db2.gz FRTHZRBXWWAUPI-GFCCVEGCSA-N 0 3 360.436 -0.512 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000515338835 485294387 /nfs/dbraw/zinc/29/43/87/485294387.db2.gz FRTHZRBXWWAUPI-LBPRGKRZSA-N 0 3 360.436 -0.512 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)[C@H](CN)C1 ZINC000515342336 485294662 /nfs/dbraw/zinc/29/46/62/485294662.db2.gz ZDUYKSUCRITKDY-CVEARBPZSA-N 0 3 373.457 -0.995 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)[C@@H](CN)C1 ZINC000515342337 485294761 /nfs/dbraw/zinc/29/47/61/485294761.db2.gz ZDUYKSUCRITKDY-HOTGVXAUSA-N 0 3 373.457 -0.995 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)[C@H](CN)C1 ZINC000515342338 485295038 /nfs/dbraw/zinc/29/50/38/485295038.db2.gz ZDUYKSUCRITKDY-HZPDHXFCSA-N 0 3 373.457 -0.995 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)[C@@H](CN)C1 ZINC000515342339 485294755 /nfs/dbraw/zinc/29/47/55/485294755.db2.gz ZDUYKSUCRITKDY-JKSUJKDBSA-N 0 3 373.457 -0.995 20 0 FBADHN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C(=O)NC2CNC2)c1 ZINC000515342686 485294987 /nfs/dbraw/zinc/29/49/87/485294987.db2.gz ZRXHNNXJJVVPGO-UHFFFAOYSA-N 0 3 359.835 -0.162 20 0 FBADHN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@@H]1CNCCO1 ZINC000515346479 485296081 /nfs/dbraw/zinc/29/60/81/485296081.db2.gz CLVCSQSEWULUMK-HNNXBMFYSA-N 0 3 358.398 -0.837 20 0 FBADHN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@H]1CNCCO1 ZINC000515346480 485295576 /nfs/dbraw/zinc/29/55/76/485295576.db2.gz CLVCSQSEWULUMK-OAHLLOKOSA-N 0 3 358.398 -0.837 20 0 FBADHN CS(=O)(=O)CCCNC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000515347000 485295853 /nfs/dbraw/zinc/29/58/53/485295853.db2.gz LTRFHPGILUTGNX-CYBMUJFWSA-N 0 3 355.416 -0.112 20 0 FBADHN CS(=O)(=O)CCCNC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000515347001 485296201 /nfs/dbraw/zinc/29/62/01/485296201.db2.gz LTRFHPGILUTGNX-ZDUSSCGKSA-N 0 3 355.416 -0.112 20 0 FBADHN C[C@@H](NC(=O)Cc1csc(N2CCOCC2)n1)C(=O)NCCN(C)C ZINC000515355363 485296421 /nfs/dbraw/zinc/29/64/21/485296421.db2.gz GSSAYPUSCCXFHE-GFCCVEGCSA-N 0 3 369.491 -0.295 20 0 FBADHN C[C@H](NC(=O)Cc1csc(N2CCOCC2)n1)C(=O)NCCN(C)C ZINC000515355365 485295506 /nfs/dbraw/zinc/29/55/06/485295506.db2.gz GSSAYPUSCCXFHE-LBPRGKRZSA-N 0 3 369.491 -0.295 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000515358974 485296361 /nfs/dbraw/zinc/29/63/61/485296361.db2.gz DSTSRLQDNGWPIW-PBHICJAKSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000515358975 485295694 /nfs/dbraw/zinc/29/56/94/485295694.db2.gz DSTSRLQDNGWPIW-RHSMWYFYSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000515358976 485295550 /nfs/dbraw/zinc/29/55/50/485295550.db2.gz DSTSRLQDNGWPIW-WMLDXEAASA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000515358977 485296169 /nfs/dbraw/zinc/29/61/69/485296169.db2.gz DSTSRLQDNGWPIW-YOEHRIQHSA-N 0 3 364.490 -0.092 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000515362377 485295887 /nfs/dbraw/zinc/29/58/87/485295887.db2.gz WOZYAZTWPUOMPQ-CYBMUJFWSA-N 0 3 362.473 -0.160 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000515362378 485296212 /nfs/dbraw/zinc/29/62/12/485296212.db2.gz WOZYAZTWPUOMPQ-ZDUSSCGKSA-N 0 3 362.473 -0.160 20 0 FBADHN COCCCS(=O)(=O)[N-]CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000515384079 485295751 /nfs/dbraw/zinc/29/57/51/485295751.db2.gz DSKVWMRNGXOGHK-GFCCVEGCSA-N 0 3 356.448 -0.208 20 0 FBADHN COCCCS(=O)(=O)[N-]CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000515384080 485295947 /nfs/dbraw/zinc/29/59/47/485295947.db2.gz DSKVWMRNGXOGHK-LBPRGKRZSA-N 0 3 356.448 -0.208 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)o1 ZINC000515387710 485297146 /nfs/dbraw/zinc/29/71/46/485297146.db2.gz IYXMKRKTZAQBCK-HNNXBMFYSA-N 0 3 357.432 -0.284 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)o1 ZINC000515387711 485297182 /nfs/dbraw/zinc/29/71/82/485297182.db2.gz IYXMKRKTZAQBCK-OAHLLOKOSA-N 0 3 357.432 -0.284 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC000515402227 485296838 /nfs/dbraw/zinc/29/68/38/485296838.db2.gz LAIHBBISBZGXGY-UHFFFAOYSA-N 0 3 364.494 -0.002 20 0 FBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]2CN)CC1 ZINC000515413550 485298142 /nfs/dbraw/zinc/29/81/42/485298142.db2.gz RDMLJQOWYPDUEB-CABCVRRESA-N 0 3 365.478 -0.909 20 0 FBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]2CN)CC1 ZINC000515413551 485298476 /nfs/dbraw/zinc/29/84/76/485298476.db2.gz RDMLJQOWYPDUEB-GJZGRUSLSA-N 0 3 365.478 -0.909 20 0 FBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000515413552 485298550 /nfs/dbraw/zinc/29/85/50/485298550.db2.gz RDMLJQOWYPDUEB-HUUCEWRRSA-N 0 3 365.478 -0.909 20 0 FBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000515413553 485298601 /nfs/dbraw/zinc/29/86/01/485298601.db2.gz RDMLJQOWYPDUEB-LSDHHAIUSA-N 0 3 365.478 -0.909 20 0 FBADHN COCCN(C(=O)CN1CC2CCC1(CN)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000515433358 485298407 /nfs/dbraw/zinc/29/84/07/485298407.db2.gz UXFGJSOBWRNSAU-CKDBGZEDSA-N 0 3 373.519 -0.148 20 0 FBADHN COCCN(C(=O)CN1CC2CCC1(CN)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000515433367 485298637 /nfs/dbraw/zinc/29/86/37/485298637.db2.gz UXFGJSOBWRNSAU-ISXOHVOVSA-N 0 3 373.519 -0.148 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000515434901 485298529 /nfs/dbraw/zinc/29/85/29/485298529.db2.gz PUGVHERWOPYVED-ARFHVFGLSA-N 0 3 369.429 -0.464 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000515434902 485298671 /nfs/dbraw/zinc/29/86/71/485298671.db2.gz PUGVHERWOPYVED-BZUAXINKSA-N 0 3 369.429 -0.464 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000515434903 485298650 /nfs/dbraw/zinc/29/86/50/485298650.db2.gz PUGVHERWOPYVED-HRCADAONSA-N 0 3 369.429 -0.464 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000515434904 485298503 /nfs/dbraw/zinc/29/85/03/485298503.db2.gz PUGVHERWOPYVED-OWCLPIDISA-N 0 3 369.429 -0.464 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000515437641 485298068 /nfs/dbraw/zinc/29/80/68/485298068.db2.gz KQYMSRWEUPWGNZ-UHFFFAOYSA-N 0 3 371.526 -0.835 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000515473846 485298512 /nfs/dbraw/zinc/29/85/12/485298512.db2.gz BBLLSFZVUHNBGU-BZUAXINKSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000515473847 485297943 /nfs/dbraw/zinc/29/79/43/485297943.db2.gz BBLLSFZVUHNBGU-OAGGEKHMSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000515473848 485298322 /nfs/dbraw/zinc/29/83/22/485298322.db2.gz BBLLSFZVUHNBGU-OWCLPIDISA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000515473849 485298124 /nfs/dbraw/zinc/29/81/24/485298124.db2.gz BBLLSFZVUHNBGU-PMPSAXMXSA-N 0 3 371.478 -0.134 20 0 FBADHN CN(C)[C@]1(CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC000515490994 485299587 /nfs/dbraw/zinc/29/95/87/485299587.db2.gz WRFHMVSWGSJVHD-AAEUAGOBSA-N 0 3 350.510 -0.243 20 0 FBADHN CN(C)[C@@]1(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC000515490995 485299952 /nfs/dbraw/zinc/29/99/52/485299952.db2.gz WRFHMVSWGSJVHD-DGCLKSJQSA-N 0 3 350.510 -0.243 20 0 FBADHN CN(C)[C@@]1(CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC000515490996 485299537 /nfs/dbraw/zinc/29/95/37/485299537.db2.gz WRFHMVSWGSJVHD-WCQYABFASA-N 0 3 350.510 -0.243 20 0 FBADHN CN(C)[C@]1(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC000515490997 485299765 /nfs/dbraw/zinc/29/97/65/485299765.db2.gz WRFHMVSWGSJVHD-YPMHNXCESA-N 0 3 350.510 -0.243 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCN(CC[C@H]3CCNC3=O)CC2)cc1 ZINC000515497347 485300530 /nfs/dbraw/zinc/30/05/30/485300530.db2.gz XQBVVRUKFSUFQZ-CYBMUJFWSA-N 0 3 352.460 -0.018 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3CCNC3=O)CC2)cc1 ZINC000515497348 485301061 /nfs/dbraw/zinc/30/10/61/485301061.db2.gz XQBVVRUKFSUFQZ-ZDUSSCGKSA-N 0 3 352.460 -0.018 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3noc4ccccc43)CCN2C1=O ZINC000515498754 485300712 /nfs/dbraw/zinc/30/07/12/485300712.db2.gz BDMMPVRKLHFNGB-CMPLNLGQSA-N 0 3 357.370 -0.786 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3noc4ccccc43)CCN2C1=O ZINC000515498758 485301019 /nfs/dbraw/zinc/30/10/19/485301019.db2.gz BDMMPVRKLHFNGB-JQWIXIFHSA-N 0 3 357.370 -0.786 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3noc4ccccc43)CCN2C1=O ZINC000515498759 485301180 /nfs/dbraw/zinc/30/11/80/485301180.db2.gz BDMMPVRKLHFNGB-PWSUYJOCSA-N 0 3 357.370 -0.786 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3noc4ccccc43)CCN2C1=O ZINC000515498760 485301298 /nfs/dbraw/zinc/30/12/98/485301298.db2.gz BDMMPVRKLHFNGB-ZYHUDNBSSA-N 0 3 357.370 -0.786 20 0 FBADHN CCn1c(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)nc2ccccc21 ZINC000515523858 485301040 /nfs/dbraw/zinc/30/10/40/485301040.db2.gz QLRJGYPIZUTADG-AWEZNQCLSA-N 0 3 372.473 -0.184 20 0 FBADHN CCn1c(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)nc2ccccc21 ZINC000515523860 485300974 /nfs/dbraw/zinc/30/09/74/485300974.db2.gz QLRJGYPIZUTADG-CQSZACIVSA-N 0 3 372.473 -0.184 20 0 FBADHN CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000515621282 485302440 /nfs/dbraw/zinc/30/24/40/485302440.db2.gz ULIBMCXMPUEGAY-AWEZNQCLSA-N 0 3 361.446 -0.237 20 0 FBADHN CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000515621283 485301820 /nfs/dbraw/zinc/30/18/20/485301820.db2.gz ULIBMCXMPUEGAY-CQSZACIVSA-N 0 3 361.446 -0.237 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(F)c(F)c2)[C@H](CN)C1 ZINC000515621674 485302410 /nfs/dbraw/zinc/30/24/10/485302410.db2.gz HXAWDHTYWUAHHR-LLVKDONJSA-N 0 3 356.373 -0.439 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(F)c(F)c2)[C@@H](CN)C1 ZINC000515621679 485302502 /nfs/dbraw/zinc/30/25/02/485302502.db2.gz HXAWDHTYWUAHHR-NSHDSACASA-N 0 3 356.373 -0.439 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(F)cc2F)[C@H](CN)C1 ZINC000515621755 485302590 /nfs/dbraw/zinc/30/25/90/485302590.db2.gz SYRAHKNDHWDBNG-GFCCVEGCSA-N 0 3 356.373 -0.439 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(F)cc2F)[C@@H](CN)C1 ZINC000515621756 485301925 /nfs/dbraw/zinc/30/19/25/485301925.db2.gz SYRAHKNDHWDBNG-LBPRGKRZSA-N 0 3 356.373 -0.439 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(Cl)cn2)[C@H](CN)C1 ZINC000515621940 485303418 /nfs/dbraw/zinc/30/34/18/485303418.db2.gz ZHPAUTSSFZBGCX-GFCCVEGCSA-N 0 3 355.826 -0.669 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(Cl)cn2)[C@@H](CN)C1 ZINC000515621941 485303642 /nfs/dbraw/zinc/30/36/42/485303642.db2.gz ZHPAUTSSFZBGCX-LBPRGKRZSA-N 0 3 355.826 -0.669 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CCc3ccccc3)CC2)[C@H](CN)C1 ZINC000515634583 485303617 /nfs/dbraw/zinc/30/36/17/485303617.db2.gz QXTPHBNDFCJRKI-GOSISDBHSA-N 0 3 373.501 -0.525 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CCc3ccccc3)CC2)[C@@H](CN)C1 ZINC000515634584 485304008 /nfs/dbraw/zinc/30/40/08/485304008.db2.gz QXTPHBNDFCJRKI-SFHVURJKSA-N 0 3 373.501 -0.525 20 0 FBADHN COc1ccc(CCNC(=O)C(N)C(F)(F)F)cc1S(N)(=O)=O ZINC000515645488 485303503 /nfs/dbraw/zinc/30/35/03/485303503.db2.gz ZJRPSEKRARXMIL-JTQLQIEISA-N 0 3 355.338 -0.109 20 0 FBADHN COc1ccc(CCNC(=O)C(N)C(F)(F)F)cc1S(N)(=O)=O ZINC000515645492 485304089 /nfs/dbraw/zinc/30/40/89/485304089.db2.gz ZJRPSEKRARXMIL-SNVBAGLBSA-N 0 3 355.338 -0.109 20 0 FBADHN CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)s1 ZINC000515648417 485303364 /nfs/dbraw/zinc/30/33/64/485303364.db2.gz WAJFMXWUAHSJAO-GFCCVEGCSA-N 0 3 360.505 -0.391 20 0 FBADHN CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)s1 ZINC000515648418 485304038 /nfs/dbraw/zinc/30/40/38/485304038.db2.gz WAJFMXWUAHSJAO-LBPRGKRZSA-N 0 3 360.505 -0.391 20 0 FBADHN CNC(=O)[C@H](CNC(=O)C(=O)N[C@H](C)CN)Cc1ccc(OC)c(F)c1 ZINC000515650193 485305285 /nfs/dbraw/zinc/30/52/85/485305285.db2.gz MFMXMNLQEPHJPF-PWSUYJOCSA-N 0 3 368.409 -0.681 20 0 FBADHN CNC(=O)[C@@H](CNC(=O)C(=O)N[C@H](C)CN)Cc1ccc(OC)c(F)c1 ZINC000515650194 485305351 /nfs/dbraw/zinc/30/53/51/485305351.db2.gz MFMXMNLQEPHJPF-ZYHUDNBSSA-N 0 3 368.409 -0.681 20 0 FBADHN COc1cnccc1N1CCN(C(=O)c2nc(N)nc(N(C)C)n2)CC1 ZINC000515663454 484508764 /nfs/dbraw/zinc/50/87/64/484508764.db2.gz CONFHNSZRGZQPR-UHFFFAOYSA-N 0 3 358.406 -0.114 20 0 FBADHN C[C@H](NC(=O)CCC(=O)Nc1nnc(C2CC2)o1)C(=O)NCCN(C)C ZINC000515669795 485304735 /nfs/dbraw/zinc/30/47/35/485304735.db2.gz BIFHNBSAPDXTLV-JTQLQIEISA-N 0 3 366.422 -0.152 20 0 FBADHN C[C@@H](NC(=O)CCC(=O)Nc1nnc(C2CC2)o1)C(=O)NCCN(C)C ZINC000515669796 485304895 /nfs/dbraw/zinc/30/48/95/485304895.db2.gz BIFHNBSAPDXTLV-SNVBAGLBSA-N 0 3 366.422 -0.152 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CN3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000515671255 485303406 /nfs/dbraw/zinc/30/34/06/485303406.db2.gz BZXXDJAXNQFZKZ-MSOLQXFVSA-N 0 3 371.485 -0.425 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000515671256 485303684 /nfs/dbraw/zinc/30/36/84/485303684.db2.gz BZXXDJAXNQFZKZ-QZTJIDSGSA-N 0 3 371.485 -0.425 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CN3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000515671257 485304170 /nfs/dbraw/zinc/30/41/70/485304170.db2.gz BZXXDJAXNQFZKZ-ROUUACIJSA-N 0 3 371.485 -0.425 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CN3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000515671258 485303328 /nfs/dbraw/zinc/30/33/28/485303328.db2.gz BZXXDJAXNQFZKZ-ZWKOTPCHSA-N 0 3 371.485 -0.425 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cs1 ZINC000515672544 485303784 /nfs/dbraw/zinc/30/37/84/485303784.db2.gz CYYZHUDGPWPLEA-PSASIEDQSA-N 0 3 359.429 -0.533 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cs1 ZINC000515672545 485303842 /nfs/dbraw/zinc/30/38/42/485303842.db2.gz CYYZHUDGPWPLEA-SCZZXKLOSA-N 0 3 359.429 -0.533 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cs1 ZINC000515672546 485303972 /nfs/dbraw/zinc/30/39/72/485303972.db2.gz CYYZHUDGPWPLEA-WCBMZHEXSA-N 0 3 359.429 -0.533 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cs1 ZINC000515672547 485303346 /nfs/dbraw/zinc/30/33/46/485303346.db2.gz CYYZHUDGPWPLEA-WPRPVWTQSA-N 0 3 359.429 -0.533 20 0 FBADHN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000515672717 485303943 /nfs/dbraw/zinc/30/39/43/485303943.db2.gz JJDJYCXFGWMZAQ-CQDKDKBSSA-N 0 3 359.430 -0.383 20 0 FBADHN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000515672718 485303432 /nfs/dbraw/zinc/30/34/32/485303432.db2.gz JJDJYCXFGWMZAQ-GLQYFDAESA-N 0 3 359.430 -0.383 20 0 FBADHN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000515672719 485303733 /nfs/dbraw/zinc/30/37/33/485303733.db2.gz JJDJYCXFGWMZAQ-NILFDRSVSA-N 0 3 359.430 -0.383 20 0 FBADHN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000515672720 485303748 /nfs/dbraw/zinc/30/37/48/485303748.db2.gz JJDJYCXFGWMZAQ-TUKIKUTGSA-N 0 3 359.430 -0.383 20 0 FBADHN COc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C ZINC000515673076 485303628 /nfs/dbraw/zinc/30/36/28/485303628.db2.gz OTOJTQQWCZAXLW-CABCVRRESA-N 0 3 374.441 -0.567 20 0 FBADHN COc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C ZINC000515673077 485304081 /nfs/dbraw/zinc/30/40/81/485304081.db2.gz OTOJTQQWCZAXLW-GJZGRUSLSA-N 0 3 374.441 -0.567 20 0 FBADHN COc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C ZINC000515673078 485304139 /nfs/dbraw/zinc/30/41/39/485304139.db2.gz OTOJTQQWCZAXLW-HUUCEWRRSA-N 0 3 374.441 -0.567 20 0 FBADHN COc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1C ZINC000515673079 485303282 /nfs/dbraw/zinc/30/32/82/485303282.db2.gz OTOJTQQWCZAXLW-LSDHHAIUSA-N 0 3 374.441 -0.567 20 0 FBADHN Cc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(C)c1O ZINC000515673234 485303454 /nfs/dbraw/zinc/30/34/54/485303454.db2.gz RHDXDMMIPNIVTI-CABCVRRESA-N 0 3 374.441 -0.562 20 0 FBADHN Cc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(C)c1O ZINC000515673235 485303871 /nfs/dbraw/zinc/30/38/71/485303871.db2.gz RHDXDMMIPNIVTI-GJZGRUSLSA-N 0 3 374.441 -0.562 20 0 FBADHN Cc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(C)c1O ZINC000515673236 485304110 /nfs/dbraw/zinc/30/41/10/485304110.db2.gz RHDXDMMIPNIVTI-HUUCEWRRSA-N 0 3 374.441 -0.562 20 0 FBADHN Cc1cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(C)c1O ZINC000515673237 485303523 /nfs/dbraw/zinc/30/35/23/485303523.db2.gz RHDXDMMIPNIVTI-LSDHHAIUSA-N 0 3 374.441 -0.562 20 0 FBADHN C[C@H](CCCC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000515673303 485303957 /nfs/dbraw/zinc/30/39/57/485303957.db2.gz UNDIVEVMWBGJGE-GMTAPVOTSA-N 0 3 364.368 -0.006 20 0 FBADHN C[C@H](CCCC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000515673304 485303600 /nfs/dbraw/zinc/30/36/00/485303600.db2.gz UNDIVEVMWBGJGE-MXWKQRLJSA-N 0 3 364.368 -0.006 20 0 FBADHN C[C@H](CCCC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000515673305 485304128 /nfs/dbraw/zinc/30/41/28/485304128.db2.gz UNDIVEVMWBGJGE-OUAUKWLOSA-N 0 3 364.368 -0.006 20 0 FBADHN C[C@H](CCCC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000515673306 485303666 /nfs/dbraw/zinc/30/36/66/485303666.db2.gz UNDIVEVMWBGJGE-VWYCJHECSA-N 0 3 364.368 -0.006 20 0 FBADHN CN(C)Cc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)ccc1F ZINC000515810738 485307025 /nfs/dbraw/zinc/30/70/25/485307025.db2.gz AEATXPMGNZHOBA-HNNXBMFYSA-N 0 3 365.453 -0.395 20 0 FBADHN CN(C)Cc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)ccc1F ZINC000515810739 485307112 /nfs/dbraw/zinc/30/71/12/485307112.db2.gz AEATXPMGNZHOBA-OAHLLOKOSA-N 0 3 365.453 -0.395 20 0 FBADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CN1CCNCC1=O ZINC000515847964 485308446 /nfs/dbraw/zinc/30/84/46/485308446.db2.gz WAODHUMRTJHZRU-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CN1CCNCC1=O ZINC000515847965 485308358 /nfs/dbraw/zinc/30/83/58/485308358.db2.gz WAODHUMRTJHZRU-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN COC(=O)[C@@H](NC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(C)C ZINC000515860938 485306936 /nfs/dbraw/zinc/30/69/36/485306936.db2.gz SHWSVKNDVZWXHS-BZPMIXESSA-N 0 3 363.480 -0.250 20 0 FBADHN COC(=O)[C@@H](NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(C)C ZINC000515860939 485306991 /nfs/dbraw/zinc/30/69/91/485306991.db2.gz SHWSVKNDVZWXHS-DYEKYZERSA-N 0 3 363.480 -0.250 20 0 FBADHN COC(=O)[C@@H](NC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(C)C ZINC000515860940 485307282 /nfs/dbraw/zinc/30/72/82/485307282.db2.gz SHWSVKNDVZWXHS-OBJOEFQTSA-N 0 3 363.480 -0.250 20 0 FBADHN COC(=O)[C@@H](NC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O)C(C)C ZINC000515860941 485306854 /nfs/dbraw/zinc/30/68/54/485306854.db2.gz SHWSVKNDVZWXHS-SCRDCRAPSA-N 0 3 363.480 -0.250 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000515862612 485306783 /nfs/dbraw/zinc/30/67/83/485306783.db2.gz SGZYCQSUSWAXQC-CABCVRRESA-N 0 3 370.494 -0.166 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000515862613 485307463 /nfs/dbraw/zinc/30/74/63/485307463.db2.gz SGZYCQSUSWAXQC-GJZGRUSLSA-N 0 3 370.494 -0.166 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000515862614 485306802 /nfs/dbraw/zinc/30/68/02/485306802.db2.gz SGZYCQSUSWAXQC-HUUCEWRRSA-N 0 3 370.494 -0.166 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000515862615 485307430 /nfs/dbraw/zinc/30/74/30/485307430.db2.gz SGZYCQSUSWAXQC-LSDHHAIUSA-N 0 3 370.494 -0.166 20 0 FBADHN COCC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000515870083 485308212 /nfs/dbraw/zinc/30/82/12/485308212.db2.gz KJWMSOVOXDPBTA-CLRIEMFWSA-N 0 3 352.435 -0.922 20 0 FBADHN COCC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000515870085 485308409 /nfs/dbraw/zinc/30/84/09/485308409.db2.gz KJWMSOVOXDPBTA-HOAMVYINSA-N 0 3 352.435 -0.922 20 0 FBADHN COCC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000515870086 485307981 /nfs/dbraw/zinc/30/79/81/485307981.db2.gz KJWMSOVOXDPBTA-NWINJMCUSA-N 0 3 352.435 -0.922 20 0 FBADHN COCC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000515870089 485308230 /nfs/dbraw/zinc/30/82/30/485308230.db2.gz KJWMSOVOXDPBTA-PQAZSJQKSA-N 0 3 352.435 -0.922 20 0 FBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 ZINC000515881269 485308097 /nfs/dbraw/zinc/30/80/97/485308097.db2.gz LTVYBBHFCANNIM-AWEZNQCLSA-N 0 3 350.419 -0.198 20 0 FBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1 ZINC000515881270 485308527 /nfs/dbraw/zinc/30/85/27/485308527.db2.gz LTVYBBHFCANNIM-CQSZACIVSA-N 0 3 350.419 -0.198 20 0 FBADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000515881383 485308071 /nfs/dbraw/zinc/30/80/71/485308071.db2.gz QZVRJWGKNHEALR-HNNXBMFYSA-N 0 3 350.419 -0.500 20 0 FBADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000515881384 485308000 /nfs/dbraw/zinc/30/80/00/485308000.db2.gz QZVRJWGKNHEALR-OAHLLOKOSA-N 0 3 350.419 -0.500 20 0 FBADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cn2)n1 ZINC000515884201 485308112 /nfs/dbraw/zinc/30/81/12/485308112.db2.gz BJYKFTZBUHYYAI-AWEZNQCLSA-N 0 3 360.418 -0.139 20 0 FBADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cn2)n1 ZINC000515884202 485308330 /nfs/dbraw/zinc/30/83/30/485308330.db2.gz BJYKFTZBUHYYAI-CQSZACIVSA-N 0 3 360.418 -0.139 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N1CCC[C@@H](C)C1 ZINC000515894525 485308538 /nfs/dbraw/zinc/30/85/38/485308538.db2.gz HEGQKTBZELUMNM-NEPJUHHUSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N1CCC[C@H](C)C1 ZINC000515894526 485308402 /nfs/dbraw/zinc/30/84/02/485308402.db2.gz HEGQKTBZELUMNM-NWDGAFQWSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N1CCC[C@H](C)C1 ZINC000515894527 485308196 /nfs/dbraw/zinc/30/81/96/485308196.db2.gz HEGQKTBZELUMNM-RYUDHWBXSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N1CCC[C@@H](C)C1 ZINC000515894528 485308520 /nfs/dbraw/zinc/30/85/20/485308520.db2.gz HEGQKTBZELUMNM-VXGBXAGGSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N1CCCC1 ZINC000515899420 485308240 /nfs/dbraw/zinc/30/82/40/485308240.db2.gz RZSMAUDWJRXNAD-CYBMUJFWSA-N 0 3 374.445 -0.443 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N1CCCC1 ZINC000515899421 485307888 /nfs/dbraw/zinc/30/78/88/485307888.db2.gz RZSMAUDWJRXNAD-ZDUSSCGKSA-N 0 3 374.445 -0.443 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000515901573 485308377 /nfs/dbraw/zinc/30/83/77/485308377.db2.gz AQKYJHGMHJZXKC-QLFBSQMISA-N 0 3 357.451 -0.524 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000515901574 485308544 /nfs/dbraw/zinc/30/85/44/485308544.db2.gz AQKYJHGMHJZXKC-RBSFLKMASA-N 0 3 357.451 -0.524 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000515901575 485308154 /nfs/dbraw/zinc/30/81/54/485308154.db2.gz AQKYJHGMHJZXKC-RRFJBIMHSA-N 0 3 357.451 -0.524 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000515901576 485308177 /nfs/dbraw/zinc/30/81/77/485308177.db2.gz AQKYJHGMHJZXKC-SOUVJXGZSA-N 0 3 357.451 -0.524 20 0 FBADHN CC(C)(CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N1CCCCC1 ZINC000515911490 485309418 /nfs/dbraw/zinc/30/94/18/485309418.db2.gz QPLOFNVDQVCROG-UHFFFAOYSA-N 0 3 350.423 -0.312 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCCO2)CC1 ZINC000516032224 485310373 /nfs/dbraw/zinc/31/03/73/485310373.db2.gz KPTXJXDPLHNODV-CABCVRRESA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCCO2)CC1 ZINC000516032226 485310420 /nfs/dbraw/zinc/31/04/20/485310420.db2.gz KPTXJXDPLHNODV-GJZGRUSLSA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCCO2)CC1 ZINC000516032227 485310023 /nfs/dbraw/zinc/31/00/23/485310023.db2.gz KPTXJXDPLHNODV-HUUCEWRRSA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCCO2)CC1 ZINC000516032229 485310546 /nfs/dbraw/zinc/31/05/46/485310546.db2.gz KPTXJXDPLHNODV-LSDHHAIUSA-N 0 3 366.462 -0.563 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)CCCO1 ZINC000516035648 485310178 /nfs/dbraw/zinc/31/01/78/485310178.db2.gz IFSZDGQMDMUZJJ-CABCVRRESA-N 0 3 368.478 -0.283 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)CCCO1 ZINC000516035649 485310268 /nfs/dbraw/zinc/31/02/68/485310268.db2.gz IFSZDGQMDMUZJJ-GJZGRUSLSA-N 0 3 368.478 -0.283 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)CCCO1 ZINC000516035650 485310045 /nfs/dbraw/zinc/31/00/45/485310045.db2.gz IFSZDGQMDMUZJJ-HUUCEWRRSA-N 0 3 368.478 -0.283 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)CCCO1 ZINC000516035651 485310010 /nfs/dbraw/zinc/31/00/10/485310010.db2.gz IFSZDGQMDMUZJJ-LSDHHAIUSA-N 0 3 368.478 -0.283 20 0 FBADHN CN1CCN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)[C@H](CN)C1 ZINC000516071384 485310128 /nfs/dbraw/zinc/31/01/28/485310128.db2.gz JAOUNZOKCKJSNZ-LLVKDONJSA-N 0 3 356.423 -0.026 20 0 FBADHN CN1CCN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)[C@@H](CN)C1 ZINC000516071385 485310652 /nfs/dbraw/zinc/31/06/52/485310652.db2.gz JAOUNZOKCKJSNZ-NSHDSACASA-N 0 3 356.423 -0.026 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000516083322 485310901 /nfs/dbraw/zinc/31/09/01/485310901.db2.gz RJGZZXKDLYFIFI-INIZCTEOSA-N 0 3 363.524 -0.880 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000516083323 485310908 /nfs/dbraw/zinc/31/09/08/485310908.db2.gz RJGZZXKDLYFIFI-MRXNPFEDSA-N 0 3 363.524 -0.880 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)COc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000516088116 485310940 /nfs/dbraw/zinc/31/09/40/485310940.db2.gz ATZSKYCMINHEEQ-GDBMZVCRSA-N 0 3 372.425 -0.037 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)COc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000516088124 485311109 /nfs/dbraw/zinc/31/11/09/485311109.db2.gz ATZSKYCMINHEEQ-GOEBONIOSA-N 0 3 372.425 -0.037 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)COc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000516088125 485311331 /nfs/dbraw/zinc/31/13/31/485311331.db2.gz ATZSKYCMINHEEQ-HOCLYGCPSA-N 0 3 372.425 -0.037 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)COc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000516088127 485311239 /nfs/dbraw/zinc/31/12/39/485311239.db2.gz ATZSKYCMINHEEQ-ZBFHGGJFSA-N 0 3 372.425 -0.037 20 0 FBADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516088994 485312380 /nfs/dbraw/zinc/31/23/80/485312380.db2.gz MIHWYAOGESPIQT-AAEUAGOBSA-N 0 3 372.429 -0.396 20 0 FBADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516088995 485311658 /nfs/dbraw/zinc/31/16/58/485311658.db2.gz MIHWYAOGESPIQT-DGCLKSJQSA-N 0 3 372.429 -0.396 20 0 FBADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516088997 485312206 /nfs/dbraw/zinc/31/22/06/485312206.db2.gz MIHWYAOGESPIQT-WCQYABFASA-N 0 3 372.429 -0.396 20 0 FBADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516088998 485311650 /nfs/dbraw/zinc/31/16/50/485311650.db2.gz MIHWYAOGESPIQT-YPMHNXCESA-N 0 3 372.429 -0.396 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000516115413 485311794 /nfs/dbraw/zinc/31/17/94/485311794.db2.gz YDJRKYGOTHDTJQ-CABCVRRESA-N 0 3 363.462 -0.117 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000516115414 485312344 /nfs/dbraw/zinc/31/23/44/485312344.db2.gz YDJRKYGOTHDTJQ-GJZGRUSLSA-N 0 3 363.462 -0.117 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000516115415 485312445 /nfs/dbraw/zinc/31/24/45/485312445.db2.gz YDJRKYGOTHDTJQ-HUUCEWRRSA-N 0 3 363.462 -0.117 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000516115416 485312056 /nfs/dbraw/zinc/31/20/56/485312056.db2.gz YDJRKYGOTHDTJQ-LSDHHAIUSA-N 0 3 363.462 -0.117 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)CCN(C)C2)nc1 ZINC000516138262 485312095 /nfs/dbraw/zinc/31/20/95/485312095.db2.gz YZUCDNWBQDFBCU-AWEZNQCLSA-N 0 3 357.436 -0.480 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)CCN(C)C2)nc1 ZINC000516138263 485311775 /nfs/dbraw/zinc/31/17/75/485311775.db2.gz YZUCDNWBQDFBCU-CQSZACIVSA-N 0 3 357.436 -0.480 20 0 FBADHN CC1=CCN(CCNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC000516166908 485313171 /nfs/dbraw/zinc/31/31/71/485313171.db2.gz AIKYBXLNMPBCSO-UHFFFAOYSA-N 0 3 371.507 -0.733 20 0 FBADHN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C(=O)NC1CNC1 ZINC000516168367 485313006 /nfs/dbraw/zinc/31/30/06/485313006.db2.gz OGTYKUHLUBOSSO-HNNXBMFYSA-N 0 3 366.849 -0.083 20 0 FBADHN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)C(=O)NC1CNC1 ZINC000516168368 485312789 /nfs/dbraw/zinc/31/27/89/485312789.db2.gz OGTYKUHLUBOSSO-OAHLLOKOSA-N 0 3 366.849 -0.083 20 0 FBADHN CCn1nccc1C1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000516173887 485314529 /nfs/dbraw/zinc/31/45/29/485314529.db2.gz IJRPWRMJUSPDSF-HNNXBMFYSA-N 0 3 362.478 -0.290 20 0 FBADHN CCn1nccc1C1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000516173888 485313944 /nfs/dbraw/zinc/31/39/44/485313944.db2.gz IJRPWRMJUSPDSF-OAHLLOKOSA-N 0 3 362.478 -0.290 20 0 FBADHN CC(=O)NCCN(C)C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000516180322 485313268 /nfs/dbraw/zinc/31/32/68/485313268.db2.gz NSKQEIYUWRKWHS-UHFFFAOYSA-N 0 3 364.446 -0.162 20 0 FBADHN O=C(CCOC1CNC1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000516183453 485313093 /nfs/dbraw/zinc/31/30/93/485313093.db2.gz SUJMBWMQPBCYGL-AWEZNQCLSA-N 0 3 353.444 -0.024 20 0 FBADHN O=C(CCOC1CNC1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000516183454 485313228 /nfs/dbraw/zinc/31/32/28/485313228.db2.gz SUJMBWMQPBCYGL-CQSZACIVSA-N 0 3 353.444 -0.024 20 0 FBADHN COC(=O)c1c(F)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516194683 485313069 /nfs/dbraw/zinc/31/30/69/485313069.db2.gz RGOWIAKZKKCTJX-GXSJLCMTSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1c(F)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516194684 485313141 /nfs/dbraw/zinc/31/31/41/485313141.db2.gz RGOWIAKZKKCTJX-KOLCDFICSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1c(F)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516194685 485313235 /nfs/dbraw/zinc/31/32/35/485313235.db2.gz RGOWIAKZKKCTJX-MWLCHTKSSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1c(F)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516194686 485313402 /nfs/dbraw/zinc/31/34/02/485313402.db2.gz RGOWIAKZKKCTJX-ONGXEEELSA-N 0 3 371.390 -0.455 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000516198987 485314103 /nfs/dbraw/zinc/31/41/03/485314103.db2.gz IFRTVUOKFYZPQJ-UHFFFAOYSA-N 0 3 365.522 -0.173 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000516200526 485314046 /nfs/dbraw/zinc/31/40/46/485314046.db2.gz PMBBKORLCWDOEI-AWEZNQCLSA-N 0 3 364.537 -0.284 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000516200527 485314422 /nfs/dbraw/zinc/31/44/22/485314422.db2.gz PMBBKORLCWDOEI-CQSZACIVSA-N 0 3 364.537 -0.284 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](COC)C(C)C)CC1 ZINC000516204952 485314600 /nfs/dbraw/zinc/31/46/00/485314600.db2.gz BMHBIEJJRIIROR-HNNXBMFYSA-N 0 3 370.494 -0.214 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](COC)C(C)C)CC1 ZINC000516204953 485314013 /nfs/dbraw/zinc/31/40/13/485314013.db2.gz BMHBIEJJRIIROR-OAHLLOKOSA-N 0 3 370.494 -0.214 20 0 FBADHN CN1CCN(c2ccncc2NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000516207958 485314297 /nfs/dbraw/zinc/31/42/97/485314297.db2.gz MLSLUNPHKZVHNW-UHFFFAOYSA-N 0 3 367.475 -0.498 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000516215047 485313845 /nfs/dbraw/zinc/31/38/45/485313845.db2.gz CNWCEENLBZZZGN-HNNXBMFYSA-N 0 3 352.479 -0.066 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000516215048 485313961 /nfs/dbraw/zinc/31/39/61/485313961.db2.gz CNWCEENLBZZZGN-OAHLLOKOSA-N 0 3 352.479 -0.066 20 0 FBADHN COc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000516264422 485315237 /nfs/dbraw/zinc/31/52/37/485315237.db2.gz NNUUBGWJNBVTKZ-KBPBESRZSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000516264423 485315033 /nfs/dbraw/zinc/31/50/33/485315033.db2.gz NNUUBGWJNBVTKZ-KGLIPLIRSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000516264424 485315434 /nfs/dbraw/zinc/31/54/34/485315434.db2.gz NNUUBGWJNBVTKZ-UONOGXRCSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000516264425 485314965 /nfs/dbraw/zinc/31/49/65/485314965.db2.gz NNUUBGWJNBVTKZ-ZIAGYGMSSA-N 0 3 364.446 -0.320 20 0 FBADHN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000516264440 485315254 /nfs/dbraw/zinc/31/52/54/485315254.db2.gz RDSMDLXGAOEJAI-UHFFFAOYSA-N 0 3 373.457 -0.526 20 0 FBADHN CC(C)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000516267894 485315354 /nfs/dbraw/zinc/31/53/54/485315354.db2.gz OJDCWECZWRDZDC-AWEZNQCLSA-N 0 3 356.467 -0.772 20 0 FBADHN COCCN(C)CCCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000516275627 485314989 /nfs/dbraw/zinc/31/49/89/485314989.db2.gz XDGWPFRDBLISIA-CYBMUJFWSA-N 0 3 350.485 -0.322 20 0 FBADHN COCCN(C)CCCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000516275631 485315333 /nfs/dbraw/zinc/31/53/33/485315333.db2.gz XDGWPFRDBLISIA-ZDUSSCGKSA-N 0 3 350.485 -0.322 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000516282757 485315216 /nfs/dbraw/zinc/31/52/16/485315216.db2.gz KYLNMURUXFFXNB-NEPJUHHUSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000516282760 485315100 /nfs/dbraw/zinc/31/51/00/485315100.db2.gz KYLNMURUXFFXNB-NWDGAFQWSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000516282761 485314857 /nfs/dbraw/zinc/31/48/57/485314857.db2.gz KYLNMURUXFFXNB-RYUDHWBXSA-N 0 3 350.423 -0.457 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000516282762 485315286 /nfs/dbraw/zinc/31/52/86/485315286.db2.gz KYLNMURUXFFXNB-VXGBXAGGSA-N 0 3 350.423 -0.457 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)s1 ZINC000516283754 485315050 /nfs/dbraw/zinc/31/50/50/485315050.db2.gz HUKTZSRFXKMIRQ-UHFFFAOYSA-N 0 3 372.476 -0.083 20 0 FBADHN CS(=O)(=O)C1(C(=O)NC[C@@H](O)COc2ccc(F)cc2)CCNCC1 ZINC000516293011 485316318 /nfs/dbraw/zinc/31/63/18/485316318.db2.gz YFONTKDLNYRDNF-CYBMUJFWSA-N 0 3 374.434 -0.152 20 0 FBADHN CS(=O)(=O)C1(C(=O)NC[C@H](O)COc2ccc(F)cc2)CCNCC1 ZINC000516293012 485316058 /nfs/dbraw/zinc/31/60/58/485316058.db2.gz YFONTKDLNYRDNF-ZDUSSCGKSA-N 0 3 374.434 -0.152 20 0 FBADHN Cc1cc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)ccc1S(N)(=O)=O ZINC000516293592 485316187 /nfs/dbraw/zinc/31/61/87/485316187.db2.gz KSHJCOATAOTZKB-AWEZNQCLSA-N 0 3 356.448 -0.642 20 0 FBADHN CN(CCN(C)C1CCN(C)CC1)C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000516312781 485315270 /nfs/dbraw/zinc/31/52/70/485315270.db2.gz HEDOVYNKAKUTHT-UHFFFAOYSA-N 0 3 369.491 -0.022 20 0 FBADHN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516314713 485315013 /nfs/dbraw/zinc/31/50/13/485315013.db2.gz DEQJTFOOUQEHSD-CHWSQXEVSA-N 0 3 371.441 -0.006 20 0 FBADHN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516314718 485314896 /nfs/dbraw/zinc/31/48/96/485314896.db2.gz DEQJTFOOUQEHSD-OLZOCXBDSA-N 0 3 371.441 -0.006 20 0 FBADHN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516314722 485314845 /nfs/dbraw/zinc/31/48/45/485314845.db2.gz DEQJTFOOUQEHSD-QWHCGFSZSA-N 0 3 371.441 -0.006 20 0 FBADHN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516314723 485314975 /nfs/dbraw/zinc/31/49/75/485314975.db2.gz DEQJTFOOUQEHSD-STQMWFEESA-N 0 3 371.441 -0.006 20 0 FBADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1-n1cnnn1 ZINC000516315255 485315508 /nfs/dbraw/zinc/31/55/08/485315508.db2.gz KAODKJVIGCSVPF-CHWSQXEVSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1-n1cnnn1 ZINC000516315259 485315481 /nfs/dbraw/zinc/31/54/81/485315481.db2.gz KAODKJVIGCSVPF-OLZOCXBDSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1-n1cnnn1 ZINC000516315262 485315442 /nfs/dbraw/zinc/31/54/42/485315442.db2.gz KAODKJVIGCSVPF-QWHCGFSZSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1-n1cnnn1 ZINC000516315264 485314793 /nfs/dbraw/zinc/31/47/93/485314793.db2.gz KAODKJVIGCSVPF-STQMWFEESA-N 0 3 356.390 -0.254 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000516315652 485315090 /nfs/dbraw/zinc/31/50/90/485315090.db2.gz QRTWNEGUOLUZBW-AVGNSLFASA-N 0 3 358.398 -0.429 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000516315653 485315405 /nfs/dbraw/zinc/31/54/05/485315405.db2.gz QRTWNEGUOLUZBW-RWMBFGLXSA-N 0 3 358.398 -0.429 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000516315654 485314833 /nfs/dbraw/zinc/31/48/33/485314833.db2.gz QRTWNEGUOLUZBW-XQQFMLRXSA-N 0 3 358.398 -0.429 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000516315656 485314875 /nfs/dbraw/zinc/31/48/75/485314875.db2.gz QRTWNEGUOLUZBW-YNEHKIRRSA-N 0 3 358.398 -0.429 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3F)CCN2C1=O ZINC000516315721 485315083 /nfs/dbraw/zinc/31/50/83/485315083.db2.gz QDLKODADAGUCRH-DZGBDDFRSA-N 0 3 360.389 -0.432 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3F)CCN2C1=O ZINC000516315723 485315225 /nfs/dbraw/zinc/31/52/25/485315225.db2.gz QDLKODADAGUCRH-HQRZJTNHSA-N 0 3 360.389 -0.432 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3F)CCN2C1=O ZINC000516315725 485314921 /nfs/dbraw/zinc/31/49/21/485314921.db2.gz QDLKODADAGUCRH-OBCWZRDOSA-N 0 3 360.389 -0.432 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3F)CCN2C1=O ZINC000516315728 485314936 /nfs/dbraw/zinc/31/49/36/485314936.db2.gz QDLKODADAGUCRH-UEEZHKSASA-N 0 3 360.389 -0.432 20 0 FBADHN C[C@H]1CS(=O)(=O)CCN1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000516379644 485317085 /nfs/dbraw/zinc/31/70/85/485317085.db2.gz LOXPABCGMFYYFZ-AWEZNQCLSA-N 0 3 374.507 -0.193 20 0 FBADHN C[C@@H]1CS(=O)(=O)CCN1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000516379645 485316891 /nfs/dbraw/zinc/31/68/91/485316891.db2.gz LOXPABCGMFYYFZ-CQSZACIVSA-N 0 3 374.507 -0.193 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000516452788 485318728 /nfs/dbraw/zinc/31/87/28/485318728.db2.gz AOQKUAZBMRIBAJ-NEPJUHHUSA-N 0 3 352.412 -0.190 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000516452789 485319246 /nfs/dbraw/zinc/31/92/46/485319246.db2.gz AOQKUAZBMRIBAJ-NWDGAFQWSA-N 0 3 352.412 -0.190 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000516452791 485318658 /nfs/dbraw/zinc/31/86/58/485318658.db2.gz AOQKUAZBMRIBAJ-RYUDHWBXSA-N 0 3 352.412 -0.190 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000516452793 485318833 /nfs/dbraw/zinc/31/88/33/485318833.db2.gz AOQKUAZBMRIBAJ-VXGBXAGGSA-N 0 3 352.412 -0.190 20 0 FBADHN N[C@H](C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCC1 ZINC000516463327 485318848 /nfs/dbraw/zinc/31/88/48/485318848.db2.gz IUPRIBUENLXEPD-AWEZNQCLSA-N 0 3 360.480 -0.729 20 0 FBADHN N[C@@H](C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCC1 ZINC000516463328 485318971 /nfs/dbraw/zinc/31/89/71/485318971.db2.gz IUPRIBUENLXEPD-CQSZACIVSA-N 0 3 360.480 -0.729 20 0 FBADHN O=C1[C@H](NC[C@H](O)COc2ccc3c(c2)OCO3)CCCN1CCO ZINC000516468567 485319225 /nfs/dbraw/zinc/31/92/25/485319225.db2.gz YJAPKSOJOZYNAA-GXTWGEPZSA-N 0 3 352.387 -0.272 20 0 FBADHN O=C1[C@@H](NC[C@H](O)COc2ccc3c(c2)OCO3)CCCN1CCO ZINC000516468568 485319157 /nfs/dbraw/zinc/31/91/57/485319157.db2.gz YJAPKSOJOZYNAA-JSGCOSHPSA-N 0 3 352.387 -0.272 20 0 FBADHN O=C1[C@@H](NC[C@@H](O)COc2ccc3c(c2)OCO3)CCCN1CCO ZINC000516468569 485319133 /nfs/dbraw/zinc/31/91/33/485319133.db2.gz YJAPKSOJOZYNAA-OCCSQVGLSA-N 0 3 352.387 -0.272 20 0 FBADHN O=C1[C@H](NC[C@@H](O)COc2ccc3c(c2)OCO3)CCCN1CCO ZINC000516468570 485319274 /nfs/dbraw/zinc/31/92/74/485319274.db2.gz YJAPKSOJOZYNAA-TZMCWYRMSA-N 0 3 352.387 -0.272 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)[C@H](CN)C1 ZINC000516475162 485319205 /nfs/dbraw/zinc/31/92/05/485319205.db2.gz GEBHBGHDYNUXQF-GFCCVEGCSA-N 0 3 359.473 -0.720 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)[C@@H](CN)C1 ZINC000516475163 485319268 /nfs/dbraw/zinc/31/92/68/485319268.db2.gz GEBHBGHDYNUXQF-LBPRGKRZSA-N 0 3 359.473 -0.720 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000516491886 485317909 /nfs/dbraw/zinc/31/79/09/485317909.db2.gz CIQJLWANWUORIU-PSASIEDQSA-N 0 3 358.445 -0.960 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000516491887 485318111 /nfs/dbraw/zinc/31/81/11/485318111.db2.gz CIQJLWANWUORIU-SCZZXKLOSA-N 0 3 358.445 -0.960 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000516491888 485318250 /nfs/dbraw/zinc/31/82/50/485318250.db2.gz CIQJLWANWUORIU-WCBMZHEXSA-N 0 3 358.445 -0.960 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000516491889 485318045 /nfs/dbraw/zinc/31/80/45/485318045.db2.gz CIQJLWANWUORIU-WPRPVWTQSA-N 0 3 358.445 -0.960 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000516495837 485319770 /nfs/dbraw/zinc/31/97/70/485319770.db2.gz RIQCMIIPHUUJKI-UHFFFAOYSA-N 0 3 352.439 -0.685 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCOC2(CCOCC2)CC1 ZINC000516503616 485319865 /nfs/dbraw/zinc/31/98/65/485319865.db2.gz GTPRZHUSHXTGMP-UHFFFAOYSA-N 0 3 371.478 -0.131 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)Nc2ccnn2CCN(C)C)cn1C ZINC000516504772 485320033 /nfs/dbraw/zinc/32/00/33/485320033.db2.gz YAHIOSDANZGELQ-UHFFFAOYSA-N 0 3 369.451 -0.596 20 0 FBADHN COC(=O)c1cc(CNCCC(=O)N2CCN(C(C)=O)CC2)cn1C ZINC000516511392 485320177 /nfs/dbraw/zinc/32/01/77/485320177.db2.gz ODRNTASEZFFXAQ-UHFFFAOYSA-N 0 3 350.419 -0.018 20 0 FBADHN Cc1nnc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C)s1 ZINC000516511656 485319962 /nfs/dbraw/zinc/31/99/62/485319962.db2.gz XBDIUKCEZPJHMF-LLVKDONJSA-N 0 3 356.496 -0.024 20 0 FBADHN Cc1nnc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C)s1 ZINC000516511657 485319997 /nfs/dbraw/zinc/31/99/97/485319997.db2.gz XBDIUKCEZPJHMF-NSHDSACASA-N 0 3 356.496 -0.024 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000516555192 485321048 /nfs/dbraw/zinc/32/10/48/485321048.db2.gz HDPZATNEFFKXGK-UHFFFAOYSA-N 0 3 368.459 -0.579 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000516556887 485320881 /nfs/dbraw/zinc/32/08/81/485320881.db2.gz WFBFZZHQSAPZRK-KRWDZBQOSA-N 0 3 367.538 -0.071 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000516556888 485320973 /nfs/dbraw/zinc/32/09/73/485320973.db2.gz WFBFZZHQSAPZRK-QGZVFWFLSA-N 0 3 367.538 -0.071 20 0 FBADHN CN1CCN(C[C@@H](O)CNCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000516562995 485240936 /nfs/dbraw/zinc/24/09/36/485240936.db2.gz MUIGINGLHLDVOU-KRWDZBQOSA-N 0 3 370.519 -0.696 20 0 FBADHN CN1CCN(C[C@H](O)CNCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000516562996 485241147 /nfs/dbraw/zinc/24/11/47/485241147.db2.gz MUIGINGLHLDVOU-QGZVFWFLSA-N 0 3 370.519 -0.696 20 0 FBADHN Cn1c(C(=O)NC2CCN(C3CC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000516576917 485278979 /nfs/dbraw/zinc/27/89/79/485278979.db2.gz HSPPBIPITLPBHK-UHFFFAOYSA-N 0 3 359.430 -0.068 20 0 FBADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516582702 485301435 /nfs/dbraw/zinc/30/14/35/485301435.db2.gz LFCRCQOKRCALJR-GJZGRUSLSA-N 0 3 357.414 -0.184 20 0 FBADHN COCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000516584793 485306316 /nfs/dbraw/zinc/30/63/16/485306316.db2.gz FWDJMJHGEAURNO-KBPBESRZSA-N 0 3 363.418 -0.440 20 0 FBADHN COCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000516584795 485306754 /nfs/dbraw/zinc/30/67/54/485306754.db2.gz FWDJMJHGEAURNO-KGLIPLIRSA-N 0 3 363.418 -0.440 20 0 FBADHN COCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000516584796 485306719 /nfs/dbraw/zinc/30/67/19/485306719.db2.gz FWDJMJHGEAURNO-UONOGXRCSA-N 0 3 363.418 -0.440 20 0 FBADHN COCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000516584797 485306723 /nfs/dbraw/zinc/30/67/23/485306723.db2.gz FWDJMJHGEAURNO-ZIAGYGMSSA-N 0 3 363.418 -0.440 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc(F)c3F)CCN2C1=O ZINC000516584880 485307330 /nfs/dbraw/zinc/30/73/30/485307330.db2.gz JTCZOJDSNGWCGM-AAEUAGOBSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc(F)c3F)CCN2C1=O ZINC000516584883 485307845 /nfs/dbraw/zinc/30/78/45/485307845.db2.gz JTCZOJDSNGWCGM-DGCLKSJQSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc(F)c3F)CCN2C1=O ZINC000516584884 485307626 /nfs/dbraw/zinc/30/76/26/485307626.db2.gz JTCZOJDSNGWCGM-WCQYABFASA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc(F)c3F)CCN2C1=O ZINC000516584885 485307680 /nfs/dbraw/zinc/30/76/80/485307680.db2.gz JTCZOJDSNGWCGM-YPMHNXCESA-N 0 3 366.368 -0.606 20 0 FBADHN CCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O ZINC000516591983 483948351 /nfs/dbraw/zinc/94/83/51/483948351.db2.gz RZGICXCMJJEVPX-UHFFFAOYSA-N 0 3 364.493 -0.052 20 0 FBADHN CN1CCN(c2ccncc2NC(=O)CN2CCCS2(=O)=O)CC1 ZINC000516624681 484177813 /nfs/dbraw/zinc/17/78/13/484177813.db2.gz HUILEKLLDJILCZ-UHFFFAOYSA-N 0 3 353.448 -0.193 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C[C@H]1N1CCOCC1 ZINC000516629702 484213630 /nfs/dbraw/zinc/21/36/30/484213630.db2.gz CKXCKJKKCOFONW-BRWVUGGUSA-N 0 3 364.490 -0.138 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@@H]1N1CCOCC1 ZINC000516629703 484213594 /nfs/dbraw/zinc/21/35/94/484213594.db2.gz CKXCKJKKCOFONW-IKGGRYGDSA-N 0 3 364.490 -0.138 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@H]1N1CCOCC1 ZINC000516629704 484213519 /nfs/dbraw/zinc/21/35/19/484213519.db2.gz CKXCKJKKCOFONW-IXDOHACOSA-N 0 3 364.490 -0.138 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C[C@@H]1N1CCOCC1 ZINC000516629705 484213394 /nfs/dbraw/zinc/21/33/94/484213394.db2.gz CKXCKJKKCOFONW-ZACQAIPSSA-N 0 3 364.490 -0.138 20 0 FBADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1F ZINC000516639597 484237174 /nfs/dbraw/zinc/23/71/74/484237174.db2.gz LYMXTVMURDPXHM-MRVPVSSYSA-N 0 3 359.329 -0.271 20 0 FBADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1F ZINC000516639599 484237688 /nfs/dbraw/zinc/23/76/88/484237688.db2.gz LYMXTVMURDPXHM-QMMMGPOBSA-N 0 3 359.329 -0.271 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1ccc2cncn2c1 ZINC000516642122 484237114 /nfs/dbraw/zinc/23/71/14/484237114.db2.gz RCVYCKAAGQMJGC-UHFFFAOYSA-N 0 3 360.462 -0.098 20 0 FBADHN NC1(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCC1 ZINC000516648137 483437532 /nfs/dbraw/zinc/43/75/32/483437532.db2.gz TWYDHKPHDDOMHO-UHFFFAOYSA-N 0 3 367.475 -0.469 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCCN1CC[NH2+]CC1 ZINC000516650610 483425166 /nfs/dbraw/zinc/42/51/66/483425166.db2.gz DNQJEYLXJSKBSC-UHFFFAOYSA-N 0 3 358.439 -0.485 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC3CCC2(C[NH3+])CC3)cn1C ZINC000516658064 483431873 /nfs/dbraw/zinc/43/18/73/483431873.db2.gz BXUHAUUKVMUPOA-UHFFFAOYSA-N 0 3 355.464 -0.263 20 0 FBADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1F ZINC000516658747 483440981 /nfs/dbraw/zinc/44/09/81/483440981.db2.gz RAXRHDVFDPCZPV-INIZCTEOSA-N 0 3 371.340 -0.127 20 0 FBADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1F ZINC000516658752 483441182 /nfs/dbraw/zinc/44/11/82/483441182.db2.gz RAXRHDVFDPCZPV-MRXNPFEDSA-N 0 3 371.340 -0.127 20 0 FBADHN CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)[n-]1 ZINC000516664363 484521300 /nfs/dbraw/zinc/52/13/00/484521300.db2.gz FHQQHCMRABFMHR-NSHDSACASA-N 0 3 364.406 -0.835 20 0 FBADHN CCOC(=O)c1nc(C2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)n[n-]1 ZINC000516664363 484521292 /nfs/dbraw/zinc/52/12/92/484521292.db2.gz FHQQHCMRABFMHR-NSHDSACASA-N 0 3 364.406 -0.835 20 0 FBADHN CN1CCC(CNC(=O)N2CCS(=O)(=O)CC2)(N2CCOCC2)CC1 ZINC000516665182 484521620 /nfs/dbraw/zinc/52/16/20/484521620.db2.gz UEBUJZRRYZQIPS-UHFFFAOYSA-N 0 3 374.507 -0.777 20 0 FBADHN CC(=O)NCC[C@@H]1CCCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000516677872 484237081 /nfs/dbraw/zinc/23/70/81/484237081.db2.gz VBLIYHWPRRTSLD-AWEZNQCLSA-N 0 3 365.482 -0.318 20 0 FBADHN CC(=O)NCC[C@H]1CCCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000516677873 484237267 /nfs/dbraw/zinc/23/72/67/484237267.db2.gz VBLIYHWPRRTSLD-CQSZACIVSA-N 0 3 365.482 -0.318 20 0 FBADHN C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)NCCN(C)C ZINC000516678297 484237842 /nfs/dbraw/zinc/23/78/42/484237842.db2.gz KMKMHQIELYJXCS-GHMZBOCLSA-N 0 3 350.485 -0.867 20 0 FBADHN C[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)NCCN(C)C ZINC000516678298 484237656 /nfs/dbraw/zinc/23/76/56/484237656.db2.gz KMKMHQIELYJXCS-MNOVXSKESA-N 0 3 350.485 -0.867 20 0 FBADHN C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)NCCN(C)C ZINC000516678299 484237757 /nfs/dbraw/zinc/23/77/57/484237757.db2.gz KMKMHQIELYJXCS-QWRGUYRKSA-N 0 3 350.485 -0.867 20 0 FBADHN C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)NCCN(C)C ZINC000516678300 484237037 /nfs/dbraw/zinc/23/70/37/484237037.db2.gz KMKMHQIELYJXCS-WDEREUQCSA-N 0 3 350.485 -0.867 20 0 FBADHN O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000516735020 484239475 /nfs/dbraw/zinc/23/94/75/484239475.db2.gz RQPQFOCUPOMORY-MCIONIFRSA-N 0 3 362.430 -0.806 20 0 FBADHN O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000516735021 484239582 /nfs/dbraw/zinc/23/95/82/484239582.db2.gz RQPQFOCUPOMORY-MELADBBJSA-N 0 3 362.430 -0.806 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C)cc1C ZINC000516756017 484169706 /nfs/dbraw/zinc/16/97/06/484169706.db2.gz WXDDRAOTHUTDKW-NSHDSACASA-N 0 3 352.439 -0.279 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)s1 ZINC000516766419 484238560 /nfs/dbraw/zinc/23/85/60/484238560.db2.gz UNCPOLWQAXBFHH-JTQLQIEISA-N 0 3 360.461 -0.859 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)s1 ZINC000516766420 484238706 /nfs/dbraw/zinc/23/87/06/484238706.db2.gz UNCPOLWQAXBFHH-SNVBAGLBSA-N 0 3 360.461 -0.859 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000516768562 483450050 /nfs/dbraw/zinc/45/00/50/483450050.db2.gz YXEAZUSFDJWAAK-UHFFFAOYSA-N 0 3 365.419 -0.625 20 0 FBADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000516771062 484240235 /nfs/dbraw/zinc/24/02/35/484240235.db2.gz YFLCNOKCBPSTPV-INIZCTEOSA-N 0 3 373.457 -0.103 20 0 FBADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000516771063 484241164 /nfs/dbraw/zinc/24/11/64/484241164.db2.gz YFLCNOKCBPSTPV-MRXNPFEDSA-N 0 3 373.457 -0.103 20 0 FBADHN CN1CCC(CNC(=O)NCCN2CCCC2=O)(N2CCOCC2)CC1 ZINC000516775060 484240560 /nfs/dbraw/zinc/24/05/60/484240560.db2.gz BMSHRKNEIKILNP-UHFFFAOYSA-N 0 3 367.494 -0.295 20 0 FBADHN COc1cnc(NC(=O)C(=O)NC[C@@H](O)CN2CCC(C)CC2)nc1 ZINC000516775859 484241043 /nfs/dbraw/zinc/24/10/43/484241043.db2.gz HSZJJQMFXBYDAH-GFCCVEGCSA-N 0 3 351.407 -0.367 20 0 FBADHN COc1cnc(NC(=O)C(=O)NC[C@H](O)CN2CCC(C)CC2)nc1 ZINC000516775860 484240512 /nfs/dbraw/zinc/24/05/12/484240512.db2.gz HSZJJQMFXBYDAH-LBPRGKRZSA-N 0 3 351.407 -0.367 20 0 FBADHN CN(C)C(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000516787116 484241269 /nfs/dbraw/zinc/24/12/69/484241269.db2.gz MMNXEAUIYLXSHP-CVEARBPZSA-N 0 3 373.457 -0.116 20 0 FBADHN CN(C)C(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000516787117 484240540 /nfs/dbraw/zinc/24/05/40/484240540.db2.gz MMNXEAUIYLXSHP-HOTGVXAUSA-N 0 3 373.457 -0.116 20 0 FBADHN CN(C)C(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000516787118 484241070 /nfs/dbraw/zinc/24/10/70/484241070.db2.gz MMNXEAUIYLXSHP-HZPDHXFCSA-N 0 3 373.457 -0.116 20 0 FBADHN CN(C)C(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000516787119 484240527 /nfs/dbraw/zinc/24/05/27/484240527.db2.gz MMNXEAUIYLXSHP-JKSUJKDBSA-N 0 3 373.457 -0.116 20 0 FBADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000516787153 484241212 /nfs/dbraw/zinc/24/12/12/484241212.db2.gz ODQKLWYAFOLNFW-DDTOSNHZSA-N 0 3 360.418 -0.437 20 0 FBADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000516787154 484240902 /nfs/dbraw/zinc/24/09/02/484240902.db2.gz ODQKLWYAFOLNFW-HONMWMINSA-N 0 3 360.418 -0.437 20 0 FBADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000516787155 484240377 /nfs/dbraw/zinc/24/03/77/484240377.db2.gz ODQKLWYAFOLNFW-LERXQTSPSA-N 0 3 360.418 -0.437 20 0 FBADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000516787156 484240023 /nfs/dbraw/zinc/24/00/23/484240023.db2.gz ODQKLWYAFOLNFW-SWHYSGLUSA-N 0 3 360.418 -0.437 20 0 FBADHN Cc1cccnc1[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000516787387 484240934 /nfs/dbraw/zinc/24/09/34/484240934.db2.gz UQKLOVNLJUFIGR-QLFBSQMISA-N 0 3 373.457 -0.026 20 0 FBADHN Cc1cccnc1[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000516787388 484240666 /nfs/dbraw/zinc/24/06/66/484240666.db2.gz UQKLOVNLJUFIGR-RBSFLKMASA-N 0 3 373.457 -0.026 20 0 FBADHN Cc1cccnc1[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000516787389 484240081 /nfs/dbraw/zinc/24/00/81/484240081.db2.gz UQKLOVNLJUFIGR-RRFJBIMHSA-N 0 3 373.457 -0.026 20 0 FBADHN Cc1cccnc1[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000516787390 484240956 /nfs/dbraw/zinc/24/09/56/484240956.db2.gz UQKLOVNLJUFIGR-SOUVJXGZSA-N 0 3 373.457 -0.026 20 0 FBADHN O=C(CNC[C@@H](O)CN1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000516796687 484239982 /nfs/dbraw/zinc/23/99/82/484239982.db2.gz QKKWKGDPPMRBOI-GOSISDBHSA-N 0 3 362.474 -0.382 20 0 FBADHN O=C(CNC[C@H](O)CN1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000516796688 484240588 /nfs/dbraw/zinc/24/05/88/484240588.db2.gz QKKWKGDPPMRBOI-SFHVURJKSA-N 0 3 362.474 -0.382 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000516803492 484240333 /nfs/dbraw/zinc/24/03/33/484240333.db2.gz UDMQEKFFOLFWIE-OAHLLOKOSA-N 0 3 355.460 -0.587 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)NCCCN1CCN(C)CC1)n1cccn1 ZINC000516834953 484241598 /nfs/dbraw/zinc/24/15/98/484241598.db2.gz WRRUSIKHBMFDAX-HNNXBMFYSA-N 0 3 350.467 -0.344 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)NCCCN1CCN(C)CC1)n1cccn1 ZINC000516834954 484242632 /nfs/dbraw/zinc/24/26/32/484242632.db2.gz WRRUSIKHBMFDAX-OAHLLOKOSA-N 0 3 350.467 -0.344 20 0 FBADHN COCCN(C)CCCNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000516841591 484242272 /nfs/dbraw/zinc/24/22/72/484242272.db2.gz MEEAGNJHPCDTGD-UHFFFAOYSA-N 0 3 365.434 -0.726 20 0 FBADHN CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1=O ZINC000516846286 483763377 /nfs/dbraw/zinc/76/33/77/483763377.db2.gz JWZXHKJJEXNNBI-LLVKDONJSA-N 0 3 364.406 -0.965 20 0 FBADHN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1=O ZINC000516846287 483763242 /nfs/dbraw/zinc/76/32/42/483763242.db2.gz JWZXHKJJEXNNBI-NSHDSACASA-N 0 3 364.406 -0.965 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)N(C)C1CC1 ZINC000516858748 484515964 /nfs/dbraw/zinc/51/59/64/484515964.db2.gz YDNSUTLQGHTNOR-JTQLQIEISA-N 0 3 367.479 -0.632 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)N(C)C1CC1 ZINC000516858749 484532899 /nfs/dbraw/zinc/53/28/99/484532899.db2.gz YDNSUTLQGHTNOR-SNVBAGLBSA-N 0 3 367.479 -0.632 20 0 FBADHN O=C(Cc1ccccc1)NCCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000516866005 484244423 /nfs/dbraw/zinc/24/44/23/484244423.db2.gz RDHWDWCCHXGDBG-UHFFFAOYSA-N 0 3 357.418 -0.098 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCc2cccnc2)CC1 ZINC000516872900 484244359 /nfs/dbraw/zinc/24/43/59/484244359.db2.gz SZOCDQHVYMUPFK-UHFFFAOYSA-N 0 3 373.457 -0.493 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)NCCN(C)C ZINC000516876562 484244515 /nfs/dbraw/zinc/24/45/15/484244515.db2.gz ASKYAGFFHTYHMW-GFCCVEGCSA-N 0 3 367.425 -0.193 20 0 FBADHN C[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)NCCN(C)C ZINC000516876563 484243679 /nfs/dbraw/zinc/24/36/79/484243679.db2.gz ASKYAGFFHTYHMW-LBPRGKRZSA-N 0 3 367.425 -0.193 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1F ZINC000516878749 484244016 /nfs/dbraw/zinc/24/40/16/484244016.db2.gz VCHVHQVPTVKFIP-GWCFXTLKSA-N 0 3 370.406 -0.283 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1F ZINC000516878750 484244328 /nfs/dbraw/zinc/24/43/28/484244328.db2.gz VCHVHQVPTVKFIP-GXFFZTMASA-N 0 3 370.406 -0.283 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1F ZINC000516878751 484243289 /nfs/dbraw/zinc/24/32/89/484243289.db2.gz VCHVHQVPTVKFIP-MFKMUULPSA-N 0 3 370.406 -0.283 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1F ZINC000516878752 484243870 /nfs/dbraw/zinc/24/38/70/484243870.db2.gz VCHVHQVPTVKFIP-ZWNOBZJWSA-N 0 3 370.406 -0.283 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@H](C2CC2)C(C)(C)CO)CC1 ZINC000516881013 484244549 /nfs/dbraw/zinc/24/45/49/484244549.db2.gz IQNPOIHIFWECJZ-KRWDZBQOSA-N 0 3 354.495 -0.395 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@H](C2CC2)C(C)(C)CO)CC1 ZINC000516881014 484244273 /nfs/dbraw/zinc/24/42/73/484244273.db2.gz IQNPOIHIFWECJZ-QGZVFWFLSA-N 0 3 354.495 -0.395 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000516882638 484243426 /nfs/dbraw/zinc/24/34/26/484243426.db2.gz PLEDUJJQWAVWTI-AWEZNQCLSA-N 0 3 354.451 -0.660 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000516882639 484244138 /nfs/dbraw/zinc/24/41/38/484244138.db2.gz PLEDUJJQWAVWTI-CQSZACIVSA-N 0 3 354.451 -0.660 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCOc2ncccc2Cl)n1 ZINC000516883553 484246097 /nfs/dbraw/zinc/24/60/97/484246097.db2.gz FKZKHRTXLKGIMH-UHFFFAOYSA-N 0 3 367.841 -0.099 20 0 FBADHN CC[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)C(=O)N1CCOCC1 ZINC000516888441 484245978 /nfs/dbraw/zinc/24/59/78/484245978.db2.gz UUHWHVHNDVYHJN-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)C(=O)N1CCOCC1 ZINC000516888442 484246531 /nfs/dbraw/zinc/24/65/31/484246531.db2.gz UUHWHVHNDVYHJN-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)N2CCNC2=O)CC1 ZINC000516890502 484245665 /nfs/dbraw/zinc/24/56/65/484245665.db2.gz CMIAYOVSGIRRAO-GFCCVEGCSA-N 0 3 360.480 -0.080 20 0 FBADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)N2CCNC2=O)CC1 ZINC000516890503 484245920 /nfs/dbraw/zinc/24/59/20/484245920.db2.gz CMIAYOVSGIRRAO-LBPRGKRZSA-N 0 3 360.480 -0.080 20 0 FBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)n1 ZINC000516912747 484245055 /nfs/dbraw/zinc/24/50/55/484245055.db2.gz RVZFSHKYBGIYHR-CVEARBPZSA-N 0 3 372.473 -0.095 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)[C@@H](CN)C1 ZINC000516916919 484245298 /nfs/dbraw/zinc/24/52/98/484245298.db2.gz JVJOYYAESFZCKC-AWEZNQCLSA-N 0 3 353.467 -0.957 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)[C@H](CN)C1 ZINC000516916920 484246409 /nfs/dbraw/zinc/24/64/09/484246409.db2.gz JVJOYYAESFZCKC-CQSZACIVSA-N 0 3 353.467 -0.957 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@@H](CN)C1 ZINC000516917152 484246448 /nfs/dbraw/zinc/24/64/48/484246448.db2.gz DZKLTIDVALEKAD-KRWDZBQOSA-N 0 3 359.474 -0.738 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)[C@H](CN)C1 ZINC000516917153 484245219 /nfs/dbraw/zinc/24/52/19/484245219.db2.gz DZKLTIDVALEKAD-QGZVFWFLSA-N 0 3 359.474 -0.738 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000516930814 484247484 /nfs/dbraw/zinc/24/74/84/484247484.db2.gz BGVFOMLFBZUTLB-KBPBESRZSA-N 0 3 361.512 -0.655 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000516930815 484248435 /nfs/dbraw/zinc/24/84/35/484248435.db2.gz BGVFOMLFBZUTLB-KGLIPLIRSA-N 0 3 361.512 -0.655 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000516930816 484248174 /nfs/dbraw/zinc/24/81/74/484248174.db2.gz BGVFOMLFBZUTLB-UONOGXRCSA-N 0 3 361.512 -0.655 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000516930817 484248099 /nfs/dbraw/zinc/24/80/99/484248099.db2.gz BGVFOMLFBZUTLB-ZIAGYGMSSA-N 0 3 361.512 -0.655 20 0 FBADHN COc1cc(OC)cc(C(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000516936545 483757006 /nfs/dbraw/zinc/75/70/06/483757006.db2.gz GSDNVRCGMSTXBV-GJZGRUSLSA-N 0 3 351.403 -0.433 20 0 FBADHN O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516938852 484247368 /nfs/dbraw/zinc/24/73/68/484247368.db2.gz CAYWQXICHYXDBF-NSHDSACASA-N 0 3 370.406 -0.317 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)[C@@H]1c1ccccc1 ZINC000516960185 484248248 /nfs/dbraw/zinc/24/82/48/484248248.db2.gz XKGNFQQAHVWDHJ-BBWFWOEESA-N 0 3 359.474 -0.351 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)[C@H]1c1ccccc1 ZINC000516960186 484247297 /nfs/dbraw/zinc/24/72/97/484247297.db2.gz XKGNFQQAHVWDHJ-BRWVUGGUSA-N 0 3 359.474 -0.351 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)[C@H]1c1ccccc1 ZINC000516960187 484247055 /nfs/dbraw/zinc/24/70/55/484247055.db2.gz XKGNFQQAHVWDHJ-GVDBMIGSSA-N 0 3 359.474 -0.351 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)[C@@H]1c1ccccc1 ZINC000516960188 484247867 /nfs/dbraw/zinc/24/78/67/484247867.db2.gz XKGNFQQAHVWDHJ-ZACQAIPSSA-N 0 3 359.474 -0.351 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)[C@H](CN)C1 ZINC000516960345 484247532 /nfs/dbraw/zinc/24/75/32/484247532.db2.gz OAEQVPFTEKCZCJ-CHWSQXEVSA-N 0 3 359.496 -0.773 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)[C@@H](CN)C1 ZINC000516960346 484247889 /nfs/dbraw/zinc/24/78/89/484247889.db2.gz OAEQVPFTEKCZCJ-OLZOCXBDSA-N 0 3 359.496 -0.773 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H]1CNCCO1 ZINC000516964341 484247323 /nfs/dbraw/zinc/24/73/23/484247323.db2.gz BREUJNSBSYYSFB-JTQLQIEISA-N 0 3 363.386 -0.262 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC[C@H]1CNCCO1 ZINC000516964342 484248148 /nfs/dbraw/zinc/24/81/48/484248148.db2.gz BREUJNSBSYYSFB-SNVBAGLBSA-N 0 3 363.386 -0.262 20 0 FBADHN Cc1csc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)CC2)n1 ZINC000516964413 483428179 /nfs/dbraw/zinc/42/81/79/483428179.db2.gz LISROZJRXUIIDE-CYBMUJFWSA-N 0 3 366.491 -0.799 20 0 FBADHN Cc1csc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)CC2)n1 ZINC000516964414 483427577 /nfs/dbraw/zinc/42/75/77/483427577.db2.gz LISROZJRXUIIDE-ZDUSSCGKSA-N 0 3 366.491 -0.799 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1O ZINC000516980020 484249734 /nfs/dbraw/zinc/24/97/34/484249734.db2.gz UBTMDVHEFYMNCJ-GJZGRUSLSA-N 0 3 355.460 -0.687 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCN3CCC2CC3)nn1 ZINC000517002863 484250441 /nfs/dbraw/zinc/25/04/41/484250441.db2.gz BBCHMZNILRNUTI-HUUCEWRRSA-N 0 3 350.423 -0.146 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)C[C@H]2N)cn1 ZINC000517025250 484251023 /nfs/dbraw/zinc/25/10/23/484251023.db2.gz YCKBMKLUKAPNRM-AHDPXTMNSA-N 0 3 361.446 -0.397 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)C[C@H]2N)cn1 ZINC000517025251 484250805 /nfs/dbraw/zinc/25/08/05/484250805.db2.gz YCKBMKLUKAPNRM-KHMAMNHCSA-N 0 3 361.446 -0.397 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)C[C@H]2N)cn1 ZINC000517025252 484250750 /nfs/dbraw/zinc/25/07/50/484250750.db2.gz YCKBMKLUKAPNRM-VQJWOFKYSA-N 0 3 361.446 -0.397 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)C[C@H]2N)cn1 ZINC000517025253 484250342 /nfs/dbraw/zinc/25/03/42/484250342.db2.gz YCKBMKLUKAPNRM-XLWJZTARSA-N 0 3 361.446 -0.397 20 0 FBADHN CC(=O)NCCN(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000517029797 484250988 /nfs/dbraw/zinc/25/09/88/484250988.db2.gz BWYAGZSYCAKBIF-LSDHHAIUSA-N 0 3 350.394 -0.327 20 0 FBADHN Cc1c(C(=O)N[C@H]2CNCCC2(F)F)cnc2c1c(=O)n(C)c(=O)n2C ZINC000517033507 484250314 /nfs/dbraw/zinc/25/03/14/484250314.db2.gz UFOSOUPJAJUQRZ-JTQLQIEISA-N 0 3 367.356 -0.332 20 0 FBADHN Cc1c(C(=O)N[C@@H]2CNCCC2(F)F)cnc2c1c(=O)n(C)c(=O)n2C ZINC000517033511 484250898 /nfs/dbraw/zinc/25/08/98/484250898.db2.gz UFOSOUPJAJUQRZ-SNVBAGLBSA-N 0 3 367.356 -0.332 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000517038319 484252451 /nfs/dbraw/zinc/25/24/51/484252451.db2.gz WHXDSGRIYBQZAC-HNNXBMFYSA-N 0 3 351.451 -0.758 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000517038320 484252576 /nfs/dbraw/zinc/25/25/76/484252576.db2.gz WHXDSGRIYBQZAC-OAHLLOKOSA-N 0 3 351.451 -0.758 20 0 FBADHN N[C@@H]1C[C@H]2CN(c3ccc(S(=O)(=O)NCC4CC4)cn3)CCN2C1=O ZINC000517041106 484252380 /nfs/dbraw/zinc/25/23/80/484252380.db2.gz FZPGHTXICGABOU-GXTWGEPZSA-N 0 3 365.459 -0.482 20 0 FBADHN N[C@H]1C[C@H]2CN(c3ccc(S(=O)(=O)NCC4CC4)cn3)CCN2C1=O ZINC000517041107 484251791 /nfs/dbraw/zinc/25/17/91/484251791.db2.gz FZPGHTXICGABOU-JSGCOSHPSA-N 0 3 365.459 -0.482 20 0 FBADHN N[C@H]1C[C@@H]2CN(c3ccc(S(=O)(=O)NCC4CC4)cn3)CCN2C1=O ZINC000517041108 484251992 /nfs/dbraw/zinc/25/19/92/484251992.db2.gz FZPGHTXICGABOU-OCCSQVGLSA-N 0 3 365.459 -0.482 20 0 FBADHN N[C@@H]1C[C@@H]2CN(c3ccc(S(=O)(=O)NCC4CC4)cn3)CCN2C1=O ZINC000517041109 484252476 /nfs/dbraw/zinc/25/24/76/484252476.db2.gz FZPGHTXICGABOU-TZMCWYRMSA-N 0 3 365.459 -0.482 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCOc4ccccc43)CCN2C1=O ZINC000517041982 484252149 /nfs/dbraw/zinc/25/21/49/484252149.db2.gz HVIPCLNNOZGPPB-BPLDGKMQSA-N 0 3 372.425 -0.213 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCCOc4ccccc43)CCN2C1=O ZINC000517041983 484252551 /nfs/dbraw/zinc/25/25/51/484252551.db2.gz HVIPCLNNOZGPPB-CFVMTHIKSA-N 0 3 372.425 -0.213 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCCOc4ccccc43)CCN2C1=O ZINC000517041984 484251862 /nfs/dbraw/zinc/25/18/62/484251862.db2.gz HVIPCLNNOZGPPB-NWANDNLSSA-N 0 3 372.425 -0.213 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCOc4ccccc43)CCN2C1=O ZINC000517041985 484252295 /nfs/dbraw/zinc/25/22/95/484252295.db2.gz HVIPCLNNOZGPPB-YUELXQCFSA-N 0 3 372.425 -0.213 20 0 FBADHN CN(C)CCn1nccc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000517050450 484251922 /nfs/dbraw/zinc/25/19/22/484251922.db2.gz SMTDHOYFWXLCFK-UHFFFAOYSA-N 0 3 355.424 -0.905 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CCCO1 ZINC000517050931 484252100 /nfs/dbraw/zinc/25/21/00/484252100.db2.gz NPZDKZZYINLPKI-CVEARBPZSA-N 0 3 368.478 -0.854 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CCCO1 ZINC000517050932 484252636 /nfs/dbraw/zinc/25/26/36/484252636.db2.gz NPZDKZZYINLPKI-HOTGVXAUSA-N 0 3 368.478 -0.854 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)CCCO1 ZINC000517050933 484252495 /nfs/dbraw/zinc/25/24/95/484252495.db2.gz NPZDKZZYINLPKI-HZPDHXFCSA-N 0 3 368.478 -0.854 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)CCCO1 ZINC000517050934 484252238 /nfs/dbraw/zinc/25/22/38/484252238.db2.gz NPZDKZZYINLPKI-JKSUJKDBSA-N 0 3 368.478 -0.854 20 0 FBADHN O=C(CCNS(=O)(=O)c1cccnc1)NCCCN1CCC(O)CC1 ZINC000517056371 484253869 /nfs/dbraw/zinc/25/38/69/484253869.db2.gz VPIYXXZHCRNKCB-UHFFFAOYSA-N 0 3 370.475 -0.287 20 0 FBADHN CC1(C)CCN(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000517064786 484254481 /nfs/dbraw/zinc/25/44/81/484254481.db2.gz ICPDACMPLAWJEH-UHFFFAOYSA-N 0 3 374.507 -0.561 20 0 FBADHN CCc1c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000517072890 484253523 /nfs/dbraw/zinc/25/35/23/484253523.db2.gz QQBHNGLVIFGKFG-SMDDNHRTSA-N 0 3 371.441 -0.029 20 0 FBADHN O=C(C(=O)N1CCN(Cc2ncc[nH]2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000517083647 484254508 /nfs/dbraw/zinc/25/45/08/484254508.db2.gz PHOPOIQISVFRSU-HNNXBMFYSA-N 0 3 360.462 -0.249 20 0 FBADHN O=C(C(=O)N1CCN(Cc2ncc[nH]2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000517083648 484253623 /nfs/dbraw/zinc/25/36/23/484253623.db2.gz PHOPOIQISVFRSU-OAHLLOKOSA-N 0 3 360.462 -0.249 20 0 FBADHN CN(CC(=O)NCCCCN1CCN(C)CC1)c1ncnc2nc[nH]c21 ZINC000517091938 484254023 /nfs/dbraw/zinc/25/40/23/484254023.db2.gz NFKAYRYHDHOMEH-UHFFFAOYSA-N 0 3 360.466 -0.067 20 0 FBADHN COCCN(CCN(C)C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000517093307 484253849 /nfs/dbraw/zinc/25/38/49/484253849.db2.gz ZHSYOQRSABRRNW-UHFFFAOYSA-N 0 3 365.434 -0.774 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000517096548 484253921 /nfs/dbraw/zinc/25/39/21/484253921.db2.gz FXAPCJPEEXPQKU-UHFFFAOYSA-N 0 3 370.409 -0.050 20 0 FBADHN N[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000517100312 484253957 /nfs/dbraw/zinc/25/39/57/484253957.db2.gz RDRYYQJEUMAETO-HNNXBMFYSA-N 0 3 367.475 -0.685 20 0 FBADHN N[C@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000517100317 484254528 /nfs/dbraw/zinc/25/45/28/484254528.db2.gz RDRYYQJEUMAETO-OAHLLOKOSA-N 0 3 367.475 -0.685 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCCCO3)[C@@H](CN)C1 ZINC000517101625 484253590 /nfs/dbraw/zinc/25/35/90/484253590.db2.gz FBIATXYLWJNCRC-AWEZNQCLSA-N 0 3 362.430 -0.435 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCCCO3)[C@H](CN)C1 ZINC000517101626 484254394 /nfs/dbraw/zinc/25/43/94/484254394.db2.gz FBIATXYLWJNCRC-CQSZACIVSA-N 0 3 362.430 -0.435 20 0 FBADHN Cc1ccccc1CN1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000517123461 484255644 /nfs/dbraw/zinc/25/56/44/484255644.db2.gz MTBGVLXUAJBBBE-GOSISDBHSA-N 0 3 373.501 -0.259 20 0 FBADHN Cc1ccccc1CN1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000517123462 484255584 /nfs/dbraw/zinc/25/55/84/484255584.db2.gz MTBGVLXUAJBBBE-SFHVURJKSA-N 0 3 373.501 -0.259 20 0 FBADHN C[C@@]1(c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000517136020 484255528 /nfs/dbraw/zinc/25/55/28/484255528.db2.gz XSZJLODVEYAKJO-ACJLOTCBSA-N 0 3 373.413 -0.774 20 0 FBADHN C[C@]1(c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000517136021 484255925 /nfs/dbraw/zinc/25/59/25/484255925.db2.gz XSZJLODVEYAKJO-FZKQIMNGSA-N 0 3 373.413 -0.774 20 0 FBADHN C[C@]1(c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000517136022 484255793 /nfs/dbraw/zinc/25/57/93/484255793.db2.gz XSZJLODVEYAKJO-SCLBCKFNSA-N 0 3 373.413 -0.774 20 0 FBADHN C[C@@]1(c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000517136023 484255777 /nfs/dbraw/zinc/25/57/77/484255777.db2.gz XSZJLODVEYAKJO-UGSOOPFHSA-N 0 3 373.413 -0.774 20 0 FBADHN C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)N(C)C1CC1 ZINC000517138675 484255356 /nfs/dbraw/zinc/25/53/56/484255356.db2.gz ZNPSVAAESISGGZ-AWEZNQCLSA-N 0 3 365.478 -0.055 20 0 FBADHN C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)N(C)C1CC1 ZINC000517138676 484256097 /nfs/dbraw/zinc/25/60/97/484256097.db2.gz ZNPSVAAESISGGZ-CQSZACIVSA-N 0 3 365.478 -0.055 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CNCCO2)c1 ZINC000517142518 484255160 /nfs/dbraw/zinc/25/51/60/484255160.db2.gz QDORVCFFVSIXNH-AWEZNQCLSA-N 0 3 369.443 -0.338 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2CNCCO2)c1 ZINC000517142525 484255456 /nfs/dbraw/zinc/25/54/56/484255456.db2.gz QDORVCFFVSIXNH-CQSZACIVSA-N 0 3 369.443 -0.338 20 0 FBADHN COC(=O)CSCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517174828 484257627 /nfs/dbraw/zinc/25/76/27/484257627.db2.gz BBZSLRGHNHIUGQ-UHFFFAOYSA-N 0 3 372.491 -0.158 20 0 FBADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc2c1=O ZINC000517175138 484256744 /nfs/dbraw/zinc/25/67/44/484256744.db2.gz BXIVAPLLQDQWGB-AAEUAGOBSA-N 0 3 371.397 -0.494 20 0 FBADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc2c1=O ZINC000517175144 484257370 /nfs/dbraw/zinc/25/73/70/484257370.db2.gz BXIVAPLLQDQWGB-DGCLKSJQSA-N 0 3 371.397 -0.494 20 0 FBADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc2c1=O ZINC000517175146 484256900 /nfs/dbraw/zinc/25/69/00/484256900.db2.gz BXIVAPLLQDQWGB-WCQYABFASA-N 0 3 371.397 -0.494 20 0 FBADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc2c1=O ZINC000517175149 484257858 /nfs/dbraw/zinc/25/78/58/484257858.db2.gz BXIVAPLLQDQWGB-YPMHNXCESA-N 0 3 371.397 -0.494 20 0 FBADHN CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000517177285 484257543 /nfs/dbraw/zinc/25/75/43/484257543.db2.gz MXNUHKGNZJWKLN-GWCFXTLKSA-N 0 3 350.444 -0.303 20 0 FBADHN CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000517177286 484257402 /nfs/dbraw/zinc/25/74/02/484257402.db2.gz MXNUHKGNZJWKLN-GXFFZTMASA-N 0 3 350.444 -0.303 20 0 FBADHN CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000517177287 484257674 /nfs/dbraw/zinc/25/76/74/484257674.db2.gz MXNUHKGNZJWKLN-MFKMUULPSA-N 0 3 350.444 -0.303 20 0 FBADHN CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000517177288 484256935 /nfs/dbraw/zinc/25/69/35/484256935.db2.gz MXNUHKGNZJWKLN-ZWNOBZJWSA-N 0 3 350.444 -0.303 20 0 FBADHN C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000517177306 484257558 /nfs/dbraw/zinc/25/75/58/484257558.db2.gz NRYOOJXRPMJGCF-KYOSRNDESA-N 0 3 360.414 -0.790 20 0 FBADHN C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000517177307 484257647 /nfs/dbraw/zinc/25/76/47/484257647.db2.gz NRYOOJXRPMJGCF-OSAQELSMSA-N 0 3 360.414 -0.790 20 0 FBADHN C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000517177308 484257346 /nfs/dbraw/zinc/25/73/46/484257346.db2.gz NRYOOJXRPMJGCF-UXIGCNINSA-N 0 3 360.414 -0.790 20 0 FBADHN C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000517177309 484257016 /nfs/dbraw/zinc/25/70/16/484257016.db2.gz NRYOOJXRPMJGCF-ZLDLUXBVSA-N 0 3 360.414 -0.790 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N1CCCC1 ZINC000517185792 484258925 /nfs/dbraw/zinc/25/89/25/484258925.db2.gz VUGZDRDOARTLQY-CYBMUJFWSA-N 0 3 350.423 -0.457 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N1CCCC1 ZINC000517185801 484259196 /nfs/dbraw/zinc/25/91/96/484259196.db2.gz VUGZDRDOARTLQY-ZDUSSCGKSA-N 0 3 350.423 -0.457 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C[C@@H]1O ZINC000517191496 484259166 /nfs/dbraw/zinc/25/91/66/484259166.db2.gz PJLJGTPPAAEFQU-GJZGRUSLSA-N 0 3 353.444 -0.027 20 0 FBADHN COC[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000517191771 484258777 /nfs/dbraw/zinc/25/87/77/484258777.db2.gz CGRCPGNANDKOHJ-CABCVRRESA-N 0 3 368.478 -0.460 20 0 FBADHN COC[C@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000517191772 484259121 /nfs/dbraw/zinc/25/91/21/484259121.db2.gz CGRCPGNANDKOHJ-GJZGRUSLSA-N 0 3 368.478 -0.460 20 0 FBADHN COC[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000517191773 484258669 /nfs/dbraw/zinc/25/86/69/484258669.db2.gz CGRCPGNANDKOHJ-HUUCEWRRSA-N 0 3 368.478 -0.460 20 0 FBADHN COC[C@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000517191774 484258508 /nfs/dbraw/zinc/25/85/08/484258508.db2.gz CGRCPGNANDKOHJ-LSDHHAIUSA-N 0 3 368.478 -0.460 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000517192286 484259022 /nfs/dbraw/zinc/25/90/22/484259022.db2.gz HLZCBGRIXPRMHW-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000517192287 484258525 /nfs/dbraw/zinc/25/85/25/484258525.db2.gz HLZCBGRIXPRMHW-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN COc1ncc(NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C)cc1C(N)=O ZINC000517206522 484259214 /nfs/dbraw/zinc/25/92/14/484259214.db2.gz UFIARHJDJXUMBA-JTQLQIEISA-N 0 3 351.407 -0.028 20 0 FBADHN CN1CC[C@@H]2OCCN(C(=O)CNS(=O)(=O)c3ccccc3)[C@@H]2C1 ZINC000517206933 484258711 /nfs/dbraw/zinc/25/87/11/484258711.db2.gz ABCLREMAOVOLBL-CABCVRRESA-N 0 3 353.444 -0.104 20 0 FBADHN CN1CC[C@@H]2OCCN(C(=O)CNS(=O)(=O)c3ccccc3)[C@H]2C1 ZINC000517206934 484258974 /nfs/dbraw/zinc/25/89/74/484258974.db2.gz ABCLREMAOVOLBL-GJZGRUSLSA-N 0 3 353.444 -0.104 20 0 FBADHN CN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3ccccc3)[C@@H]2C1 ZINC000517206935 484258913 /nfs/dbraw/zinc/25/89/13/484258913.db2.gz ABCLREMAOVOLBL-HUUCEWRRSA-N 0 3 353.444 -0.104 20 0 FBADHN CN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3ccccc3)[C@H]2C1 ZINC000517206936 484259007 /nfs/dbraw/zinc/25/90/07/484259007.db2.gz ABCLREMAOVOLBL-LSDHHAIUSA-N 0 3 353.444 -0.104 20 0 FBADHN CN(C)C(=O)Cn1cnc(NC(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000517214560 483757014 /nfs/dbraw/zinc/75/70/14/483757014.db2.gz SLRTZKLEIHQRGY-UHFFFAOYSA-N 0 3 366.470 -0.486 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000517236797 484260427 /nfs/dbraw/zinc/26/04/27/484260427.db2.gz OMMHNEQJBDMKCJ-GUYCJALGSA-N 0 3 361.402 -0.221 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000517236799 484259851 /nfs/dbraw/zinc/25/98/51/484259851.db2.gz OMMHNEQJBDMKCJ-SUMWQHHRSA-N 0 3 361.402 -0.221 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCO4)CCN2C1=O ZINC000517247449 484260462 /nfs/dbraw/zinc/26/04/62/484260462.db2.gz VRBGPFUCBWOTBA-GHMZBOCLSA-N 0 3 360.370 -0.833 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCO4)CCN2C1=O ZINC000517247451 484260821 /nfs/dbraw/zinc/26/08/21/484260821.db2.gz VRBGPFUCBWOTBA-MNOVXSKESA-N 0 3 360.370 -0.833 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCO4)CCN2C1=O ZINC000517247452 484260902 /nfs/dbraw/zinc/26/09/02/484260902.db2.gz VRBGPFUCBWOTBA-QWRGUYRKSA-N 0 3 360.370 -0.833 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCO4)CCN2C1=O ZINC000517247453 484259923 /nfs/dbraw/zinc/25/99/23/484259923.db2.gz VRBGPFUCBWOTBA-WDEREUQCSA-N 0 3 360.370 -0.833 20 0 FBADHN CC(=O)N1CCN(C(=O)CN2CCC(N3CCOC[C@@H]3C)CC2)CC1 ZINC000517274096 484261403 /nfs/dbraw/zinc/26/14/03/484261403.db2.gz RRWYLVXOJHCTQP-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN CC(=O)N1CCN(C(=O)CN2CCC(N3CCOC[C@H]3C)CC2)CC1 ZINC000517274097 484262494 /nfs/dbraw/zinc/26/24/94/484262494.db2.gz RRWYLVXOJHCTQP-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)[C@H](CN)C1 ZINC000517340451 484263105 /nfs/dbraw/zinc/26/31/05/484263105.db2.gz PODNAVJJNKQKGX-DZGCQCFKSA-N 0 3 359.430 -0.991 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)[C@@H](CN)C1 ZINC000517340452 484263268 /nfs/dbraw/zinc/26/32/68/484263268.db2.gz PODNAVJJNKQKGX-HIFRSBDPSA-N 0 3 359.430 -0.991 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)[C@H](CN)C1 ZINC000517340453 484264339 /nfs/dbraw/zinc/26/43/39/484264339.db2.gz PODNAVJJNKQKGX-UKRRQHHQSA-N 0 3 359.430 -0.991 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)[C@@H](CN)C1 ZINC000517340454 484264087 /nfs/dbraw/zinc/26/40/87/484264087.db2.gz PODNAVJJNKQKGX-ZFWWWQNUSA-N 0 3 359.430 -0.991 20 0 FBADHN CC(C)(C)CCN1CCN(C(=O)C(=O)NCC(=O)N2CCNCC2)CC1 ZINC000517342552 483575908 /nfs/dbraw/zinc/57/59/08/483575908.db2.gz HEVFKYRCCWSYLZ-UHFFFAOYSA-N 0 3 367.494 -0.885 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC[C@H](O)CN1CCOCC1 ZINC000517359599 484264103 /nfs/dbraw/zinc/26/41/03/484264103.db2.gz JGSQGDUNIICUKT-MSOLQXFVSA-N 0 3 363.506 -0.125 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC[C@@H](O)CN1CCOCC1 ZINC000517359600 484263227 /nfs/dbraw/zinc/26/32/27/484263227.db2.gz JGSQGDUNIICUKT-QZTJIDSGSA-N 0 3 363.506 -0.125 20 0 FBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC[C@H](O)CN1CCOCC1 ZINC000517359601 484264316 /nfs/dbraw/zinc/26/43/16/484264316.db2.gz JGSQGDUNIICUKT-ROUUACIJSA-N 0 3 363.506 -0.125 20 0 FBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC[C@@H](O)CN1CCOCC1 ZINC000517359602 484263195 /nfs/dbraw/zinc/26/31/95/484263195.db2.gz JGSQGDUNIICUKT-ZWKOTPCHSA-N 0 3 363.506 -0.125 20 0 FBADHN O=C(C[C@H]1CNCCO1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000517366858 484263653 /nfs/dbraw/zinc/26/36/53/484263653.db2.gz BCGBQAOFHCMMAM-KBPBESRZSA-N 0 3 361.464 -0.982 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000517366859 484263550 /nfs/dbraw/zinc/26/35/50/484263550.db2.gz BCGBQAOFHCMMAM-KGLIPLIRSA-N 0 3 361.464 -0.982 20 0 FBADHN O=C(C[C@H]1CNCCO1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000517366860 484264170 /nfs/dbraw/zinc/26/41/70/484264170.db2.gz BCGBQAOFHCMMAM-UONOGXRCSA-N 0 3 361.464 -0.982 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000517366861 484263782 /nfs/dbraw/zinc/26/37/82/484263782.db2.gz BCGBQAOFHCMMAM-ZIAGYGMSSA-N 0 3 361.464 -0.982 20 0 FBADHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371403 484264277 /nfs/dbraw/zinc/26/42/77/484264277.db2.gz UVZGCTOUNYRILT-CABCVRRESA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371404 484264131 /nfs/dbraw/zinc/26/41/31/484264131.db2.gz UVZGCTOUNYRILT-GJZGRUSLSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371405 484263603 /nfs/dbraw/zinc/26/36/03/484263603.db2.gz UVZGCTOUNYRILT-HUUCEWRRSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371408 484264221 /nfs/dbraw/zinc/26/42/21/484264221.db2.gz UVZGCTOUNYRILT-LSDHHAIUSA-N 0 3 350.463 -0.086 20 0 FBADHN CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000517371660 484263182 /nfs/dbraw/zinc/26/31/82/484263182.db2.gz VBVZQDOMQNGLRJ-BJOHPYRUSA-N 0 3 370.431 -0.235 20 0 FBADHN CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000517371661 484263816 /nfs/dbraw/zinc/26/38/16/484263816.db2.gz VBVZQDOMQNGLRJ-PSLIRLAXSA-N 0 3 370.431 -0.235 20 0 FBADHN CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000517371662 484263922 /nfs/dbraw/zinc/26/39/22/484263922.db2.gz VBVZQDOMQNGLRJ-RFAUZJTJSA-N 0 3 370.431 -0.235 20 0 FBADHN CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000517371663 484263331 /nfs/dbraw/zinc/26/33/31/484263331.db2.gz VBVZQDOMQNGLRJ-VFZGTOFNSA-N 0 3 370.431 -0.235 20 0 FBADHN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000517376066 484263121 /nfs/dbraw/zinc/26/31/21/484263121.db2.gz GWUOGQYMFFSMQA-GFCCVEGCSA-N 0 3 361.489 -0.256 20 0 FBADHN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000517376067 484263289 /nfs/dbraw/zinc/26/32/89/484263289.db2.gz GWUOGQYMFFSMQA-LBPRGKRZSA-N 0 3 361.489 -0.256 20 0 FBADHN CCN(CCNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1)C1CC1 ZINC000517392973 484264875 /nfs/dbraw/zinc/26/48/75/484264875.db2.gz FJUXICBPTIPDTM-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000517403933 484266200 /nfs/dbraw/zinc/26/62/00/484266200.db2.gz JSJPXCBDNIRUDP-UHFFFAOYSA-N 0 3 365.478 -0.007 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000517405480 484266158 /nfs/dbraw/zinc/26/61/58/484266158.db2.gz NKJHCVOCDPRZLA-CABCVRRESA-N 0 3 354.499 -0.739 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000517405481 484264940 /nfs/dbraw/zinc/26/49/40/484264940.db2.gz NKJHCVOCDPRZLA-GJZGRUSLSA-N 0 3 354.499 -0.739 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000517405482 484265724 /nfs/dbraw/zinc/26/57/24/484265724.db2.gz NKJHCVOCDPRZLA-HUUCEWRRSA-N 0 3 354.499 -0.739 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000517405483 484266182 /nfs/dbraw/zinc/26/61/82/484266182.db2.gz NKJHCVOCDPRZLA-LSDHHAIUSA-N 0 3 354.499 -0.739 20 0 FBADHN CCN(CC)CC(=O)N1CCN([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000517413497 484266097 /nfs/dbraw/zinc/26/60/97/484266097.db2.gz CSIJSPHFHKELRE-AWEZNQCLSA-N 0 3 374.445 -0.406 20 0 FBADHN CCN(CC)CC(=O)N1CCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000517413500 484265471 /nfs/dbraw/zinc/26/54/71/484265471.db2.gz CSIJSPHFHKELRE-CQSZACIVSA-N 0 3 374.445 -0.406 20 0 FBADHN O=C(CN1CCCC1)N1CCN([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000517415051 484265853 /nfs/dbraw/zinc/26/58/53/484265853.db2.gz YHYRMKIPNZRNGA-AWEZNQCLSA-N 0 3 372.429 -0.652 20 0 FBADHN O=C(CN1CCCC1)N1CCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000517415052 484265630 /nfs/dbraw/zinc/26/56/30/484265630.db2.gz YHYRMKIPNZRNGA-CQSZACIVSA-N 0 3 372.429 -0.652 20 0 FBADHN CN1CCN(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1=O ZINC000517421428 484265886 /nfs/dbraw/zinc/26/58/86/484265886.db2.gz XNJPHCDBTTUDFD-QGZVFWFLSA-N 0 3 360.458 -0.704 20 0 FBADHN CN(C)CCN1CCC(NC(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000517474801 484266972 /nfs/dbraw/zinc/26/69/72/484266972.db2.gz WCYKISCQNWUMBL-UHFFFAOYSA-N 0 3 354.455 -0.747 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)CC1 ZINC000517525991 484268538 /nfs/dbraw/zinc/26/85/38/484268538.db2.gz AYUSWUAQELZVLL-UHFFFAOYSA-N 0 3 361.402 -0.961 20 0 FBADHN O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000517526349 484268897 /nfs/dbraw/zinc/26/88/97/484268897.db2.gz JSUGMDJPCNHSAF-CVEARBPZSA-N 0 3 350.463 -0.384 20 0 FBADHN O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1CCC[C@H]1CN1CCCC1 ZINC000517526350 484268975 /nfs/dbraw/zinc/26/89/75/484268975.db2.gz JSUGMDJPCNHSAF-HOTGVXAUSA-N 0 3 350.463 -0.384 20 0 FBADHN O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000517526351 484268219 /nfs/dbraw/zinc/26/82/19/484268219.db2.gz JSUGMDJPCNHSAF-HZPDHXFCSA-N 0 3 350.463 -0.384 20 0 FBADHN O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1CCC[C@H]1CN1CCCC1 ZINC000517526352 484268554 /nfs/dbraw/zinc/26/85/54/484268554.db2.gz JSUGMDJPCNHSAF-JKSUJKDBSA-N 0 3 350.463 -0.384 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cccs1 ZINC000517541587 484270588 /nfs/dbraw/zinc/27/05/88/484270588.db2.gz QFHXMMGCQOAHSK-CHWSQXEVSA-N 0 3 353.492 -0.432 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cccs1 ZINC000517541588 484270295 /nfs/dbraw/zinc/27/02/95/484270295.db2.gz QFHXMMGCQOAHSK-OLZOCXBDSA-N 0 3 353.492 -0.432 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cccs1 ZINC000517541589 484270573 /nfs/dbraw/zinc/27/05/73/484270573.db2.gz QFHXMMGCQOAHSK-QWHCGFSZSA-N 0 3 353.492 -0.432 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cccs1 ZINC000517541590 484270114 /nfs/dbraw/zinc/27/01/14/484270114.db2.gz QFHXMMGCQOAHSK-STQMWFEESA-N 0 3 353.492 -0.432 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccnc2OCC(F)F)[C@H](CN)C1 ZINC000517541854 484269614 /nfs/dbraw/zinc/26/96/14/484269614.db2.gz DFIQBCZAEHKFEP-GFCCVEGCSA-N 0 3 371.388 -0.557 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccnc2OCC(F)F)[C@@H](CN)C1 ZINC000517541855 484269543 /nfs/dbraw/zinc/26/95/43/484269543.db2.gz DFIQBCZAEHKFEP-LBPRGKRZSA-N 0 3 371.388 -0.557 20 0 FBADHN Cc1ccc(C(=O)NC2CCN(C(=O)C(=O)NC3CNC3)CC2)s1 ZINC000517541906 484270406 /nfs/dbraw/zinc/27/04/06/484270406.db2.gz OIBHPUHQMXGEQL-UHFFFAOYSA-N 0 3 350.444 -0.135 20 0 FBADHN CN1CCN(C[C@@H](O)CNCCn2cc(Br)ccc2=O)CC1 ZINC000517556026 484269561 /nfs/dbraw/zinc/26/95/61/484269561.db2.gz CNCZTZYIJMUTLS-AWEZNQCLSA-N 0 3 373.295 -0.191 20 0 FBADHN CN1CCN(C[C@H](O)CNCCn2cc(Br)ccc2=O)CC1 ZINC000517556028 484269523 /nfs/dbraw/zinc/26/95/23/484269523.db2.gz CNCZTZYIJMUTLS-CQSZACIVSA-N 0 3 373.295 -0.191 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C4CCC4)C3)C[C@H]2N)cn1 ZINC000517557173 484270390 /nfs/dbraw/zinc/27/03/90/484270390.db2.gz ZUJQHZWXPSHGNL-ARFHVFGLSA-N 0 3 361.446 -0.299 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C4CCC4)C3)C[C@H]2N)cn1 ZINC000517557174 484270549 /nfs/dbraw/zinc/27/05/49/484270549.db2.gz ZUJQHZWXPSHGNL-XHSDSOJGSA-N 0 3 361.446 -0.299 20 0 FBADHN Cn1c(=O)c2cc(C(=O)N[C@H]3CNCCC3(F)F)cnc2n(C)c1=O ZINC000517564895 484270345 /nfs/dbraw/zinc/27/03/45/484270345.db2.gz KWFZLJRXIBSJTR-JTQLQIEISA-N 0 3 353.329 -0.641 20 0 FBADHN Cn1c(=O)c2cc(C(=O)N[C@@H]3CNCCC3(F)F)cnc2n(C)c1=O ZINC000517564896 484270456 /nfs/dbraw/zinc/27/04/56/484270456.db2.gz KWFZLJRXIBSJTR-SNVBAGLBSA-N 0 3 353.329 -0.641 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000517570590 484270228 /nfs/dbraw/zinc/27/02/28/484270228.db2.gz XULNSSHQAVWPDU-HNNXBMFYSA-N 0 3 362.430 -0.067 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000517570594 484270214 /nfs/dbraw/zinc/27/02/14/484270214.db2.gz XULNSSHQAVWPDU-OAHLLOKOSA-N 0 3 362.430 -0.067 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000517573708 484269899 /nfs/dbraw/zinc/26/98/99/484269899.db2.gz GMAXGJRDHFKLME-UHFFFAOYSA-N 0 3 367.450 -0.624 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)CCSc2nnnn2C)CC1 ZINC000517574372 484270160 /nfs/dbraw/zinc/27/01/60/484270160.db2.gz UPXBOZXMAMCSCC-UHFFFAOYSA-N 0 3 369.495 -0.249 20 0 FBADHN COCCCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1CCN(C)CC1 ZINC000517575948 484270245 /nfs/dbraw/zinc/27/02/45/484270245.db2.gz IBUWKWURNDDIKN-UHFFFAOYSA-N 0 3 364.512 -0.316 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cn1C ZINC000517585729 483653983 /nfs/dbraw/zinc/65/39/83/483653983.db2.gz VTKBVOZHACBUDT-QWHCGFSZSA-N 0 3 355.464 -0.298 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1C ZINC000517588450 484269935 /nfs/dbraw/zinc/26/99/35/484269935.db2.gz LNTRMXLIHCNOCJ-GXTWGEPZSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C ZINC000517588451 484269675 /nfs/dbraw/zinc/26/96/75/484269675.db2.gz LNTRMXLIHCNOCJ-JSGCOSHPSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C ZINC000517588452 484269984 /nfs/dbraw/zinc/26/99/84/484269984.db2.gz LNTRMXLIHCNOCJ-OCCSQVGLSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C ZINC000517588453 484269959 /nfs/dbraw/zinc/26/99/59/484269959.db2.gz LNTRMXLIHCNOCJ-TZMCWYRMSA-N 0 3 374.397 -0.509 20 0 FBADHN CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000517589394 484271651 /nfs/dbraw/zinc/27/16/51/484271651.db2.gz ZSNKLWSEARGVRI-AAEUAGOBSA-N 0 3 374.397 -0.428 20 0 FBADHN CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000517589395 484271411 /nfs/dbraw/zinc/27/14/11/484271411.db2.gz ZSNKLWSEARGVRI-DGCLKSJQSA-N 0 3 374.397 -0.428 20 0 FBADHN CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000517589396 484271177 /nfs/dbraw/zinc/27/11/77/484271177.db2.gz ZSNKLWSEARGVRI-WCQYABFASA-N 0 3 374.397 -0.428 20 0 FBADHN CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000517589397 484271203 /nfs/dbraw/zinc/27/12/03/484271203.db2.gz ZSNKLWSEARGVRI-YPMHNXCESA-N 0 3 374.397 -0.428 20 0 FBADHN Cc1ccc(CNC(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000517615731 484271763 /nfs/dbraw/zinc/27/17/63/484271763.db2.gz QZRBXCOANNKDAX-AWEZNQCLSA-N 0 3 363.462 -0.023 20 0 FBADHN Cc1ccc(CNC(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000517615732 484271246 /nfs/dbraw/zinc/27/12/46/484271246.db2.gz QZRBXCOANNKDAX-CQSZACIVSA-N 0 3 363.462 -0.023 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C1=CCN(C)CC1 ZINC000517625608 484271122 /nfs/dbraw/zinc/27/11/22/484271122.db2.gz DLEBSHJJNFTYNG-AWEZNQCLSA-N 0 3 352.479 -0.332 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C1=CCN(C)CC1 ZINC000517625609 484271975 /nfs/dbraw/zinc/27/19/75/484271975.db2.gz DLEBSHJJNFTYNG-CQSZACIVSA-N 0 3 352.479 -0.332 20 0 FBADHN CCN1CCN(CC(=O)Nc2cnccc2N2CCN(C)CC2)C(=O)C1=O ZINC000517650833 484272823 /nfs/dbraw/zinc/27/28/23/484272823.db2.gz NMRQEGXFYCTGBY-UHFFFAOYSA-N 0 3 374.445 -0.537 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C[C@@H]21 ZINC000517707106 484276201 /nfs/dbraw/zinc/27/62/01/484276201.db2.gz YEKNAMAJBGVRCN-OAGGEKHMSA-N 0 3 350.463 -0.670 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000517707107 484276804 /nfs/dbraw/zinc/27/68/04/484276804.db2.gz YEKNAMAJBGVRCN-XHSDSOJGSA-N 0 3 350.463 -0.670 20 0 FBADHN CCn1cnc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000517717355 483666847 /nfs/dbraw/zinc/66/68/47/483666847.db2.gz QPKVFQNAUJIXNY-UHFFFAOYSA-N 0 3 371.507 -0.022 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)nc2)[C@@H](CN)C1 ZINC000517721019 484276427 /nfs/dbraw/zinc/27/64/27/484276427.db2.gz KOFIGHTUGGTZLT-HNNXBMFYSA-N 0 3 360.462 -0.601 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)nc2)[C@H](CN)C1 ZINC000517721020 484276747 /nfs/dbraw/zinc/27/67/47/484276747.db2.gz KOFIGHTUGGTZLT-OAHLLOKOSA-N 0 3 360.462 -0.601 20 0 FBADHN O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000517739348 483394213 /nfs/dbraw/zinc/39/42/13/483394213.db2.gz NEYXLFUCZXGEMB-UHFFFAOYSA-N 0 3 365.344 -0.139 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000517743409 483410227 /nfs/dbraw/zinc/41/02/27/483410227.db2.gz VLWFHIYCWRMWBZ-AWEZNQCLSA-N 0 3 354.476 -0.235 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000517743410 483409903 /nfs/dbraw/zinc/40/99/03/483409903.db2.gz VLWFHIYCWRMWBZ-CQSZACIVSA-N 0 3 354.476 -0.235 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000517744588 483409497 /nfs/dbraw/zinc/40/94/97/483409497.db2.gz GTAIDSSRQZKTLL-GRYCIOLGSA-N 0 3 368.459 -0.339 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000517744592 483409789 /nfs/dbraw/zinc/40/97/89/483409789.db2.gz GTAIDSSRQZKTLL-SDDRHHMPSA-N 0 3 368.459 -0.339 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000517744594 483409784 /nfs/dbraw/zinc/40/97/84/483409784.db2.gz GTAIDSSRQZKTLL-SRVKXCTJSA-N 0 3 368.459 -0.339 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000517744596 483409845 /nfs/dbraw/zinc/40/98/45/483409845.db2.gz GTAIDSSRQZKTLL-WOPDTQHZSA-N 0 3 368.459 -0.339 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000517744980 483409815 /nfs/dbraw/zinc/40/98/15/483409815.db2.gz QIZOFZDLHIVHMP-HNNXBMFYSA-N 0 3 356.467 -0.523 20 0 FBADHN Cc1nc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc2n1C ZINC000517758700 483685981 /nfs/dbraw/zinc/68/59/81/483685981.db2.gz CHXIRSVTTUYDTL-CHWSQXEVSA-N 0 3 370.413 -0.409 20 0 FBADHN Cc1nc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc2n1C ZINC000517758701 483685944 /nfs/dbraw/zinc/68/59/44/483685944.db2.gz CHXIRSVTTUYDTL-OLZOCXBDSA-N 0 3 370.413 -0.409 20 0 FBADHN Cc1nc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc2n1C ZINC000517758702 483685883 /nfs/dbraw/zinc/68/58/83/483685883.db2.gz CHXIRSVTTUYDTL-QWHCGFSZSA-N 0 3 370.413 -0.409 20 0 FBADHN Cc1nc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc2n1C ZINC000517758703 483686006 /nfs/dbraw/zinc/68/60/06/483686006.db2.gz CHXIRSVTTUYDTL-STQMWFEESA-N 0 3 370.413 -0.409 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCN2C1=O ZINC000517758796 483686674 /nfs/dbraw/zinc/68/66/74/483686674.db2.gz FJDVVSROGZUKRO-PSASIEDQSA-N 0 3 351.388 -0.799 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCN2C1=O ZINC000517758797 483686561 /nfs/dbraw/zinc/68/65/61/483686561.db2.gz FJDVVSROGZUKRO-SCZZXKLOSA-N 0 3 351.388 -0.799 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCN2C1=O ZINC000517758798 483686695 /nfs/dbraw/zinc/68/66/95/483686695.db2.gz FJDVVSROGZUKRO-WCBMZHEXSA-N 0 3 351.388 -0.799 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCN2C1=O ZINC000517758799 483686509 /nfs/dbraw/zinc/68/65/09/483686509.db2.gz FJDVVSROGZUKRO-WPRPVWTQSA-N 0 3 351.388 -0.799 20 0 FBADHN Cc1ccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000517758893 483687212 /nfs/dbraw/zinc/68/72/12/483687212.db2.gz DPCDUQAYAXTVIG-BMFZPTHFSA-N 0 3 358.442 -0.015 20 0 FBADHN Cc1ccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000517758894 483687242 /nfs/dbraw/zinc/68/72/42/483687242.db2.gz DPCDUQAYAXTVIG-FVQBIDKESA-N 0 3 358.442 -0.015 20 0 FBADHN Cc1ccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000517758895 483687487 /nfs/dbraw/zinc/68/74/87/483687487.db2.gz DPCDUQAYAXTVIG-KBMXLJTQSA-N 0 3 358.442 -0.015 20 0 FBADHN Cc1ccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000517758896 483687596 /nfs/dbraw/zinc/68/75/96/483687596.db2.gz DPCDUQAYAXTVIG-VNQPRFMTSA-N 0 3 358.442 -0.015 20 0 FBADHN COC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000517764026 483752133 /nfs/dbraw/zinc/75/21/33/483752133.db2.gz VVIBOFVJHLXONP-HNNXBMFYSA-N 0 3 368.478 -0.458 20 0 FBADHN Cc1nnc([C@@H]2CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C2)[n-]1 ZINC000517772212 483752073 /nfs/dbraw/zinc/75/20/73/483752073.db2.gz CHYSSOOYUWFNIK-CYBMUJFWSA-N 0 3 352.439 -0.486 20 0 FBADHN Cc1nnc([C@H]2CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C2)[n-]1 ZINC000517772213 483752253 /nfs/dbraw/zinc/75/22/53/483752253.db2.gz CHYSSOOYUWFNIK-ZDUSSCGKSA-N 0 3 352.439 -0.486 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCCO[C@H]1CCOC1 ZINC000517775479 483752585 /nfs/dbraw/zinc/75/25/85/483752585.db2.gz UCTBYKNSSXJSJF-INIZCTEOSA-N 0 3 370.494 -0.606 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCCO[C@@H]1CCOC1 ZINC000517775480 483752923 /nfs/dbraw/zinc/75/29/23/483752923.db2.gz UCTBYKNSSXJSJF-MRXNPFEDSA-N 0 3 370.494 -0.606 20 0 FBADHN CN1CCN(CCCCNC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000517776075 483752976 /nfs/dbraw/zinc/75/29/76/483752976.db2.gz DAOHOWVKTASUID-UHFFFAOYSA-N 0 3 361.512 -0.651 20 0 FBADHN CCCN1CCC(CNS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000517827225 483753417 /nfs/dbraw/zinc/75/34/17/483753417.db2.gz YMMMMMQSTGASTO-UHFFFAOYSA-N 0 3 353.510 -0.327 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[N@@H+](C)C2CCCC2)cn1C ZINC000517832376 483754155 /nfs/dbraw/zinc/75/41/55/483754155.db2.gz GHPJZRIAIMNKQV-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[N@H+](C)C2CCCC2)cn1C ZINC000517832376 483754154 /nfs/dbraw/zinc/75/41/54/483754154.db2.gz GHPJZRIAIMNKQV-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN CSCC[C@@H](NC(N)=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000517855323 483754015 /nfs/dbraw/zinc/75/40/15/483754015.db2.gz AHVVNVLBFXCZFK-CHWSQXEVSA-N 0 3 373.523 -0.165 20 0 FBADHN CSCC[C@@H](NC(N)=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000517855329 483753881 /nfs/dbraw/zinc/75/38/81/483753881.db2.gz AHVVNVLBFXCZFK-OLZOCXBDSA-N 0 3 373.523 -0.165 20 0 FBADHN CSCC[C@H](NC(N)=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000517855330 483754022 /nfs/dbraw/zinc/75/40/22/483754022.db2.gz AHVVNVLBFXCZFK-QWHCGFSZSA-N 0 3 373.523 -0.165 20 0 FBADHN CSCC[C@H](NC(N)=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000517855331 483753838 /nfs/dbraw/zinc/75/38/38/483753838.db2.gz AHVVNVLBFXCZFK-STQMWFEESA-N 0 3 373.523 -0.165 20 0 FBADHN CN1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000517885574 483754553 /nfs/dbraw/zinc/75/45/53/483754553.db2.gz DHIZXXPKYJJGBO-UHFFFAOYSA-N 0 3 365.434 -0.917 20 0 FBADHN COCCOc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000517901897 483755165 /nfs/dbraw/zinc/75/51/65/483755165.db2.gz QGZUGINLRXFURL-HNNXBMFYSA-N 0 3 364.446 -0.571 20 0 FBADHN COCCOc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000517901898 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/nfs/dbraw/zinc/76/86/14/483768614.db2.gz JFSMUBBSIBFXLR-UHFFFAOYSA-N 0 3 369.510 -0.051 20 0 FBADHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cn1 ZINC000518346577 483769157 /nfs/dbraw/zinc/76/91/57/483769157.db2.gz UZUNUJIXROVXBW-HNNXBMFYSA-N 0 3 362.478 -0.355 20 0 FBADHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cn1 ZINC000518346578 483769133 /nfs/dbraw/zinc/76/91/33/483769133.db2.gz UZUNUJIXROVXBW-OAHLLOKOSA-N 0 3 362.478 -0.355 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000518358188 483769828 /nfs/dbraw/zinc/76/98/28/483769828.db2.gz ZHPYANWRMQNQMT-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000518358189 483769944 /nfs/dbraw/zinc/76/99/44/483769944.db2.gz ZHPYANWRMQNQMT-OLZOCXBDSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000518358190 483769797 /nfs/dbraw/zinc/76/97/97/483769797.db2.gz ZHPYANWRMQNQMT-QWHCGFSZSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000518358191 483769654 /nfs/dbraw/zinc/76/96/54/483769654.db2.gz ZHPYANWRMQNQMT-STQMWFEESA-N 0 3 360.480 -0.921 20 0 FBADHN CC(C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)S(C)(=O)=O ZINC000518365109 483769671 /nfs/dbraw/zinc/76/96/71/483769671.db2.gz IHTASIOAIJMWOL-GHMZBOCLSA-N 0 3 356.466 -0.976 20 0 FBADHN CC(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)S(C)(=O)=O ZINC000518365113 483769713 /nfs/dbraw/zinc/76/97/13/483769713.db2.gz IHTASIOAIJMWOL-MNOVXSKESA-N 0 3 356.466 -0.976 20 0 FBADHN CC(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)S(C)(=O)=O ZINC000518365115 483769915 /nfs/dbraw/zinc/76/99/15/483769915.db2.gz IHTASIOAIJMWOL-QWRGUYRKSA-N 0 3 356.466 -0.976 20 0 FBADHN CC(C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)S(C)(=O)=O ZINC000518365122 483769861 /nfs/dbraw/zinc/76/98/61/483769861.db2.gz IHTASIOAIJMWOL-WDEREUQCSA-N 0 3 356.466 -0.976 20 0 FBADHN CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCN(C2CC2)C1 ZINC000518365964 483769707 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CC(C)Cn1c(N)c(C(=O)CN2CCNC[C@@H]2C(F)F)c(=O)n(C)c1=O ZINC000518375623 483770225 /nfs/dbraw/zinc/77/02/25/483770225.db2.gz FMEHPKZUTQURKO-SNVBAGLBSA-N 0 3 373.404 -0.493 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000518383956 484509256 /nfs/dbraw/zinc/50/92/56/484509256.db2.gz WXRRLCZXDWZNHQ-UHFFFAOYSA-N 0 3 351.455 -0.050 20 0 FBADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518394477 483771494 /nfs/dbraw/zinc/77/14/94/483771494.db2.gz UKYKRAIIYKRKHE-KBPBESRZSA-N 0 3 356.448 -0.812 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCc4ccccc43)CCN2C1=O ZINC000518397511 483771435 /nfs/dbraw/zinc/77/14/35/483771435.db2.gz HYKCNYWFSZTVQC-IIAWOOMASA-N 0 3 356.426 -0.397 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CCc4ccccc43)CCN2C1=O ZINC000518397514 483771474 /nfs/dbraw/zinc/77/14/74/483771474.db2.gz HYKCNYWFSZTVQC-IJEWVQPXSA-N 0 3 356.426 -0.397 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCc4ccccc43)CCN2C1=O ZINC000518397516 483771291 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359.430 -0.429 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)COc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000518398441 483771317 /nfs/dbraw/zinc/77/13/17/483771317.db2.gz RZFZOFFRBUOWTJ-GDBMZVCRSA-N 0 3 372.425 -0.037 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)COc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000518398442 483771667 /nfs/dbraw/zinc/77/16/67/483771667.db2.gz RZFZOFFRBUOWTJ-GOEBONIOSA-N 0 3 372.425 -0.037 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)COc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000518398443 483771368 /nfs/dbraw/zinc/77/13/68/483771368.db2.gz RZFZOFFRBUOWTJ-HOCLYGCPSA-N 0 3 372.425 -0.037 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)COc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000518398444 483771411 /nfs/dbraw/zinc/77/14/11/483771411.db2.gz RZFZOFFRBUOWTJ-ZBFHGGJFSA-N 0 3 372.425 -0.037 20 0 FBADHN Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc1 ZINC000518398479 483773968 /nfs/dbraw/zinc/77/39/68/483773968.db2.gz SVXPDPIMMPDAHJ-KBPBESRZSA-N 0 3 374.445 -0.921 20 0 FBADHN Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc1 ZINC000518398480 483773594 /nfs/dbraw/zinc/77/35/94/483773594.db2.gz SVXPDPIMMPDAHJ-KGLIPLIRSA-N 0 3 374.445 -0.921 20 0 FBADHN Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc1 ZINC000518398481 483773771 /nfs/dbraw/zinc/77/37/71/483773771.db2.gz SVXPDPIMMPDAHJ-UONOGXRCSA-N 0 3 374.445 -0.921 20 0 FBADHN Cc1ccc(NCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc1 ZINC000518398482 483773702 /nfs/dbraw/zinc/77/37/02/483773702.db2.gz SVXPDPIMMPDAHJ-ZIAGYGMSSA-N 0 3 374.445 -0.921 20 0 FBADHN COc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518398621 483771615 /nfs/dbraw/zinc/77/16/15/483771615.db2.gz XXYRDAKQWAGNAT-CHWSQXEVSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000518398622 483771405 /nfs/dbraw/zinc/77/14/05/483771405.db2.gz XXYRDAKQWAGNAT-OLZOCXBDSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518398623 483771540 /nfs/dbraw/zinc/77/15/40/483771540.db2.gz XXYRDAKQWAGNAT-QWHCGFSZSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518398624 483771635 /nfs/dbraw/zinc/77/16/35/483771635.db2.gz XXYRDAKQWAGNAT-STQMWFEESA-N 0 3 364.377 -0.779 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000518417195 483772726 /nfs/dbraw/zinc/77/27/26/483772726.db2.gz VPCSGXXNMXOULJ-UHFFFAOYSA-N 0 3 364.450 -0.374 20 0 FBADHN CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CN2CCC1CC2 ZINC000518432417 483776266 /nfs/dbraw/zinc/77/62/66/483776266.db2.gz SYNBLTUNFIEKMC-CYBMUJFWSA-N 0 3 374.445 -0.624 20 0 FBADHN CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CN2CCC1CC2 ZINC000518432420 483776079 /nfs/dbraw/zinc/77/60/79/483776079.db2.gz SYNBLTUNFIEKMC-ZDUSSCGKSA-N 0 3 374.445 -0.624 20 0 FBADHN CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000518453007 483779398 /nfs/dbraw/zinc/77/93/98/483779398.db2.gz JXDXMCMKDFQWTB-CYBMUJFWSA-N 0 3 359.496 -0.253 20 0 FBADHN CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000518453011 483779453 /nfs/dbraw/zinc/77/94/53/483779453.db2.gz JXDXMCMKDFQWTB-ZDUSSCGKSA-N 0 3 359.496 -0.253 20 0 FBADHN C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518470195 483781701 /nfs/dbraw/zinc/78/17/01/483781701.db2.gz GWQCPBAIOWMYQN-HNNXBMFYSA-N 0 3 365.478 -0.053 20 0 FBADHN C[C@H](CN1CCCC1=O)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518470196 483781838 /nfs/dbraw/zinc/78/18/38/483781838.db2.gz GWQCPBAIOWMYQN-OAHLLOKOSA-N 0 3 365.478 -0.053 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518470475 483782071 /nfs/dbraw/zinc/78/20/71/483782071.db2.gz NCSQXEBQUFVPLF-INIZCTEOSA-N 0 3 367.494 -0.343 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518470476 483782087 /nfs/dbraw/zinc/78/20/87/483782087.db2.gz NCSQXEBQUFVPLF-MRXNPFEDSA-N 0 3 367.494 -0.343 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(=O)N1CCCC1 ZINC000518472961 483782594 /nfs/dbraw/zinc/78/25/94/483782594.db2.gz YAWYMFAQDAJQSQ-AWEZNQCLSA-N 0 3 353.467 -0.149 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(=O)N1CCCC1 ZINC000518472962 483782607 /nfs/dbraw/zinc/78/26/07/483782607.db2.gz YAWYMFAQDAJQSQ-CQSZACIVSA-N 0 3 353.467 -0.149 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCNS(C)(=O)=O ZINC000518479529 483782398 /nfs/dbraw/zinc/78/23/98/483782398.db2.gz NPLBQMURWIRZAJ-UHFFFAOYSA-N 0 3 372.447 -0.639 20 0 FBADHN CC[C@H](C)N1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000518483692 483782278 /nfs/dbraw/zinc/78/22/78/483782278.db2.gz IENLYRWYETUFFV-INIZCTEOSA-N 0 3 355.527 -0.119 20 0 FBADHN CC[C@@H](C)N1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000518483693 483782333 /nfs/dbraw/zinc/78/23/33/483782333.db2.gz IENLYRWYETUFFV-MRXNPFEDSA-N 0 3 355.527 -0.119 20 0 FBADHN CCOC(=O)CC[C@H](O)CNC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000518520633 483784853 /nfs/dbraw/zinc/78/48/53/483784853.db2.gz XJZFNSSYYSHJJB-KBPBESRZSA-N 0 3 365.496 -0.059 20 0 FBADHN CCOC(=O)CC[C@H](O)CNC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000518520634 483784507 /nfs/dbraw/zinc/78/45/07/483784507.db2.gz XJZFNSSYYSHJJB-KGLIPLIRSA-N 0 3 365.496 -0.059 20 0 FBADHN CCOC(=O)CC[C@@H](O)CNC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000518520635 483784916 /nfs/dbraw/zinc/78/49/16/483784916.db2.gz XJZFNSSYYSHJJB-UONOGXRCSA-N 0 3 365.496 -0.059 20 0 FBADHN CCOC(=O)CC[C@@H](O)CNC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000518520636 483784712 /nfs/dbraw/zinc/78/47/12/483784712.db2.gz XJZFNSSYYSHJJB-ZIAGYGMSSA-N 0 3 365.496 -0.059 20 0 FBADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000518564383 483786695 /nfs/dbraw/zinc/78/66/95/483786695.db2.gz NXVSUQCJWAIBDG-KKUMJFAQSA-N 0 3 365.478 -0.166 20 0 FBADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000518564384 483786764 /nfs/dbraw/zinc/78/67/64/483786764.db2.gz NXVSUQCJWAIBDG-RRFJBIMHSA-N 0 3 365.478 -0.166 20 0 FBADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000518564385 483786561 /nfs/dbraw/zinc/78/65/61/483786561.db2.gz NXVSUQCJWAIBDG-SOUVJXGZSA-N 0 3 365.478 -0.166 20 0 FBADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000518564386 483786999 /nfs/dbraw/zinc/78/69/99/483786999.db2.gz NXVSUQCJWAIBDG-ZNMIVQPWSA-N 0 3 365.478 -0.166 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCC(=O)N3CCCCCC3)CCN2C1=O ZINC000518565909 483786919 /nfs/dbraw/zinc/78/69/19/483786919.db2.gz ROXAZVXIEBIJHH-KBPBESRZSA-N 0 3 351.451 -0.268 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCC(=O)N3CCCCCC3)CCN2C1=O ZINC000518565910 483786872 /nfs/dbraw/zinc/78/68/72/483786872.db2.gz ROXAZVXIEBIJHH-KGLIPLIRSA-N 0 3 351.451 -0.268 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCC(=O)N3CCCCCC3)CCN2C1=O ZINC000518565911 483786854 /nfs/dbraw/zinc/78/68/54/483786854.db2.gz ROXAZVXIEBIJHH-UONOGXRCSA-N 0 3 351.451 -0.268 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCC(=O)N3CCCCCC3)CCN2C1=O ZINC000518565912 483786891 /nfs/dbraw/zinc/78/68/91/483786891.db2.gz ROXAZVXIEBIJHH-ZIAGYGMSSA-N 0 3 351.451 -0.268 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCCN2CCCC2=O)CCCO1 ZINC000518573452 483787887 /nfs/dbraw/zinc/78/78/87/483787887.db2.gz QWWVSATUNCASGU-HNNXBMFYSA-N 0 3 368.478 -0.268 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCCN2CCCC2=O)CCCO1 ZINC000518573453 483787824 /nfs/dbraw/zinc/78/78/24/483787824.db2.gz QWWVSATUNCASGU-OAHLLOKOSA-N 0 3 368.478 -0.268 20 0 FBADHN C[NH+](C)CCN1C(=O)C[C@H](N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC000518574225 483787549 /nfs/dbraw/zinc/78/75/49/483787549.db2.gz VTDSKFXWOHFDLH-HNNXBMFYSA-N 0 3 374.441 -0.161 20 0 FBADHN C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC000518574226 483787540 /nfs/dbraw/zinc/78/75/40/483787540.db2.gz VTDSKFXWOHFDLH-OAHLLOKOSA-N 0 3 374.441 -0.161 20 0 FBADHN CC(=O)N[C@H](C)C1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000518585535 483788699 /nfs/dbraw/zinc/78/86/99/483788699.db2.gz ALGVQJZPIDBYDZ-GFCCVEGCSA-N 0 3 365.482 -0.319 20 0 FBADHN CC(=O)N[C@@H](C)C1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000518585536 483789305 /nfs/dbraw/zinc/78/93/05/483789305.db2.gz ALGVQJZPIDBYDZ-LBPRGKRZSA-N 0 3 365.482 -0.319 20 0 FBADHN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518674361 483798703 /nfs/dbraw/zinc/79/87/03/483798703.db2.gz ZGDSCNJRMXUEGM-BPNCWPANSA-N 0 3 356.448 -0.732 20 0 FBADHN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518674362 483798729 /nfs/dbraw/zinc/79/87/29/483798729.db2.gz ZGDSCNJRMXUEGM-SWHYSGLUSA-N 0 3 356.448 -0.732 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCO1 ZINC000518716455 483800689 /nfs/dbraw/zinc/80/06/89/483800689.db2.gz BUTFLJCVBHSUPU-CABCVRRESA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCO1 ZINC000518716456 483800632 /nfs/dbraw/zinc/80/06/32/483800632.db2.gz BUTFLJCVBHSUPU-GJZGRUSLSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCO1 ZINC000518716457 483800915 /nfs/dbraw/zinc/80/09/15/483800915.db2.gz BUTFLJCVBHSUPU-HUUCEWRRSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCO1 ZINC000518716458 483800821 /nfs/dbraw/zinc/80/08/21/483800821.db2.gz BUTFLJCVBHSUPU-LSDHHAIUSA-N 0 3 366.462 -0.611 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000518730598 483801474 /nfs/dbraw/zinc/80/14/74/483801474.db2.gz OBSZGKPPWKPQFK-AWEZNQCLSA-N 0 3 374.507 -0.484 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000518730599 483801701 /nfs/dbraw/zinc/80/17/01/483801701.db2.gz OBSZGKPPWKPQFK-CQSZACIVSA-N 0 3 374.507 -0.484 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)NCCS(N)(=O)=O)c1 ZINC000518739438 483801593 /nfs/dbraw/zinc/80/15/93/483801593.db2.gz HTJCCELYZGZLJT-UHFFFAOYSA-N 0 3 371.463 -0.934 20 0 FBADHN COC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[n-]1 ZINC000518739591 483801838 /nfs/dbraw/zinc/80/18/38/483801838.db2.gz MCNCIDCGZSXBTC-UHFFFAOYSA-N 0 3 362.390 -0.072 20 0 FBADHN O=C(COc1ccccc1)N1CC[C@H](NC[C@@H](O)CN2CCOCC2)C1 ZINC000518760300 484291409 /nfs/dbraw/zinc/29/14/09/484291409.db2.gz RLNZFSJGOBDEDQ-DLBZAZTESA-N 0 3 363.458 -0.051 20 0 FBADHN O=C(COc1ccccc1)N1CC[C@@H](NC[C@@H](O)CN2CCOCC2)C1 ZINC000518760301 484291942 /nfs/dbraw/zinc/29/19/42/484291942.db2.gz RLNZFSJGOBDEDQ-IAGOWNOFSA-N 0 3 363.458 -0.051 20 0 FBADHN O=C(COc1ccccc1)N1CC[C@H](NC[C@H](O)CN2CCOCC2)C1 ZINC000518760302 484292307 /nfs/dbraw/zinc/29/23/07/484292307.db2.gz RLNZFSJGOBDEDQ-IRXDYDNUSA-N 0 3 363.458 -0.051 20 0 FBADHN O=C(COc1ccccc1)N1CC[C@@H](NC[C@H](O)CN2CCOCC2)C1 ZINC000518760303 484292435 /nfs/dbraw/zinc/29/24/35/484292435.db2.gz RLNZFSJGOBDEDQ-SJORKVTESA-N 0 3 363.458 -0.051 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000518768369 484407903 /nfs/dbraw/zinc/40/79/03/484407903.db2.gz JIKOICVSFXXMEZ-HIFRSBDPSA-N 0 3 368.459 -0.042 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cn1C ZINC000518774151 484653540 /nfs/dbraw/zinc/65/35/40/484653540.db2.gz VQXQEKZNTUTLOA-INIZCTEOSA-N 0 3 369.491 -0.001 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cn1C ZINC000518774152 484930014 /nfs/dbraw/zinc/93/00/14/484930014.db2.gz VQXQEKZNTUTLOA-MRXNPFEDSA-N 0 3 369.491 -0.001 20 0 FBADHN COCCCN1CCC(NC(=O)CN(C)S(=O)(=O)N(C)C)CC1 ZINC000518779750 483477310 /nfs/dbraw/zinc/47/73/10/483477310.db2.gz FFTQNWSHRRDIEB-UHFFFAOYSA-N 0 3 350.485 -0.658 20 0 FBADHN CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCN1C)N(C)C ZINC000518783114 483495408 /nfs/dbraw/zinc/49/54/08/483495408.db2.gz ZUXIXZDWVBDWIA-ARFHVFGLSA-N 0 3 355.527 -0.074 20 0 FBADHN CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCN1C)N(C)C ZINC000518783115 483494838 /nfs/dbraw/zinc/49/48/38/483494838.db2.gz ZUXIXZDWVBDWIA-BZUAXINKSA-N 0 3 355.527 -0.074 20 0 FBADHN CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCN1C)N(C)C ZINC000518783116 483495098 /nfs/dbraw/zinc/49/50/98/483495098.db2.gz ZUXIXZDWVBDWIA-OAGGEKHMSA-N 0 3 355.527 -0.074 20 0 FBADHN CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCN1C)N(C)C ZINC000518783117 483495166 /nfs/dbraw/zinc/49/51/66/483495166.db2.gz ZUXIXZDWVBDWIA-XHSDSOJGSA-N 0 3 355.527 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Cc1ccsc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519426963 484167542 /nfs/dbraw/zinc/16/75/42/484167542.db2.gz TYBUWWFKLKDLQT-RYUDHWBXSA-N 0 3 350.444 -0.514 20 0 FBADHN Cc1ccsc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519426964 484168320 /nfs/dbraw/zinc/16/83/20/484168320.db2.gz TYBUWWFKLKDLQT-VXGBXAGGSA-N 0 3 350.444 -0.514 20 0 FBADHN CC(C)(C)NS(=O)(=O)CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000519525656 484172382 /nfs/dbraw/zinc/17/23/82/484172382.db2.gz VHKNCFKWJFXBKF-CYBMUJFWSA-N 0 3 364.512 -0.150 20 0 FBADHN CC(C)(C)NS(=O)(=O)CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000519525672 484172333 /nfs/dbraw/zinc/17/23/33/484172333.db2.gz VHKNCFKWJFXBKF-ZDUSSCGKSA-N 0 3 364.512 -0.150 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4cscn4)CC3)C[C@@H]21 ZINC000519525985 484172966 /nfs/dbraw/zinc/17/29/66/484172966.db2.gz MCANTJMIXGWUAT-HIFRSBDPSA-N 0 3 363.487 -0.050 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCOc2ccc(F)cc2)[C@@H](CN)C1 ZINC000519533192 484172664 /nfs/dbraw/zinc/17/26/64/484172664.db2.gz 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NC(=O)[C@@H]1CC[C@H](CNC[C@H](O)Cn2c(=O)onc2-c2ccccc2)O1 ZINC000519536374 484172939 /nfs/dbraw/zinc/17/29/39/484172939.db2.gz KBCORHXKQBZRTD-MJBXVCDLSA-N 0 3 362.386 -0.513 20 0 FBADHN NC(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)O1 ZINC000519536378 484172239 /nfs/dbraw/zinc/17/22/39/484172239.db2.gz KBCORHXKQBZRTD-RDBSUJKOSA-N 0 3 362.386 -0.513 20 0 FBADHN C[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)CN1CCOCC1 ZINC000519536449 484172611 /nfs/dbraw/zinc/17/26/11/484172611.db2.gz DVFSXNROIIYJNT-CWRNSKLLSA-N 0 3 350.467 -0.176 20 0 FBADHN C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)CN1CCOCC1 ZINC000519536452 484173286 /nfs/dbraw/zinc/17/32/86/484173286.db2.gz DVFSXNROIIYJNT-VNQPRFMTSA-N 0 3 350.467 -0.176 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn3c2OCCC3)CC1=O ZINC000519536925 484172766 /nfs/dbraw/zinc/17/27/66/484172766.db2.gz JLIRATAJFPEKBJ-CYBMUJFWSA-N 0 3 365.434 -0.426 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn3c2OCCC3)CC1=O ZINC000519536934 484173140 /nfs/dbraw/zinc/17/31/40/484173140.db2.gz JLIRATAJFPEKBJ-ZDUSSCGKSA-N 0 3 365.434 -0.426 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCOC3CCCC3)CCN2C1=O ZINC000519545193 484174089 /nfs/dbraw/zinc/17/40/89/484174089.db2.gz IIUBPZBIJRERPF-GXTWGEPZSA-N 0 3 352.435 -0.778 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCOC3CCCC3)CCN2C1=O ZINC000519545230 484173906 /nfs/dbraw/zinc/17/39/06/484173906.db2.gz IIUBPZBIJRERPF-JSGCOSHPSA-N 0 3 352.435 -0.778 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCOC3CCCC3)CCN2C1=O ZINC000519545235 484174826 /nfs/dbraw/zinc/17/48/26/484174826.db2.gz IIUBPZBIJRERPF-OCCSQVGLSA-N 0 3 352.435 -0.778 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCOC3CCCC3)CCN2C1=O ZINC000519545241 484175016 /nfs/dbraw/zinc/17/50/16/484175016.db2.gz IIUBPZBIJRERPF-TZMCWYRMSA-N 0 3 352.435 -0.778 20 0 FBADHN CC(=O)Nc1ccc(OC[C@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000519546041 484174366 /nfs/dbraw/zinc/17/43/66/484174366.db2.gz MGPQVMGYSSCACL-IAGOWNOFSA-N 0 3 367.446 -0.333 20 0 FBADHN CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000519546086 484174744 /nfs/dbraw/zinc/17/47/44/484174744.db2.gz MGPQVMGYSSCACL-SJORKVTESA-N 0 3 367.446 -0.333 20 0 FBADHN Cc1ccncc1N1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000519564932 484175993 /nfs/dbraw/zinc/17/59/93/484175993.db2.gz VRKCGQVBNFVBTC-UHFFFAOYSA-N 0 3 363.462 -0.267 20 0 FBADHN NC(=O)c1ccccc1NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000519566998 484175607 /nfs/dbraw/zinc/17/56/07/484175607.db2.gz KSWXNKIMTMRBFC-UHFFFAOYSA-N 0 3 373.457 -0.036 20 0 FBADHN CC(C)[C@](C)(CO)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000519573648 484177201 /nfs/dbraw/zinc/17/72/01/484177201.db2.gz YOKAIAXXGXQPTJ-INIZCTEOSA-N 0 3 357.476 -0.011 20 0 FBADHN CC(C)[C@@](C)(CO)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000519573679 484177465 /nfs/dbraw/zinc/17/74/65/484177465.db2.gz YOKAIAXXGXQPTJ-MRXNPFEDSA-N 0 3 357.476 -0.011 20 0 FBADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC2CNC2)c(OC)c1 ZINC000519587975 484177725 /nfs/dbraw/zinc/17/77/25/484177725.db2.gz JKINUBPOOBNVCP-UHFFFAOYSA-N 0 3 359.386 -0.025 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000519591899 484177088 /nfs/dbraw/zinc/17/70/88/484177088.db2.gz WJFYDMOWFDLTTL-CHWSQXEVSA-N 0 3 353.492 -0.384 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000519591900 484177690 /nfs/dbraw/zinc/17/76/90/484177690.db2.gz WJFYDMOWFDLTTL-OLZOCXBDSA-N 0 3 353.492 -0.384 20 0 FBADHN CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC3CNC3)CC2)s1 ZINC000519593106 484177171 /nfs/dbraw/zinc/17/71/71/484177171.db2.gz WNDSJSRZTQSRQK-UHFFFAOYSA-N 0 3 367.431 -0.944 20 0 FBADHN CSC[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000519595430 484177000 /nfs/dbraw/zinc/17/70/00/484177000.db2.gz MCJCVBRMHDZGQE-IGQOVBAYSA-N 0 3 369.487 -0.002 20 0 FBADHN CSC[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000519595434 484177136 /nfs/dbraw/zinc/17/71/36/484177136.db2.gz MCJCVBRMHDZGQE-REWJHTLYSA-N 0 3 369.487 -0.002 20 0 FBADHN CSC[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000519595439 484177380 /nfs/dbraw/zinc/17/73/80/484177380.db2.gz MCJCVBRMHDZGQE-XDQVBPFNSA-N 0 3 369.487 -0.002 20 0 FBADHN CSC[C@H](C(=O)NC[C@H]1CNCCO1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000519595441 484177787 /nfs/dbraw/zinc/17/77/87/484177787.db2.gz MCJCVBRMHDZGQE-YIYPIFLZSA-N 0 3 369.487 -0.002 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4=O)CCN2C1=O ZINC000519606866 484179479 /nfs/dbraw/zinc/17/94/79/484179479.db2.gz FNDNJDKJGQEVRX-CMPLNLGQSA-N 0 3 372.381 -0.639 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4=O)CCN2C1=O ZINC000519606897 484179393 /nfs/dbraw/zinc/17/93/93/484179393.db2.gz FNDNJDKJGQEVRX-JQWIXIFHSA-N 0 3 372.381 -0.639 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4=O)CCN2C1=O ZINC000519606902 484179355 /nfs/dbraw/zinc/17/93/55/484179355.db2.gz FNDNJDKJGQEVRX-PWSUYJOCSA-N 0 3 372.381 -0.639 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4=O)CCN2C1=O ZINC000519606906 484178264 /nfs/dbraw/zinc/17/82/64/484178264.db2.gz FNDNJDKJGQEVRX-ZYHUDNBSSA-N 0 3 372.381 -0.639 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC000519614464 484178763 /nfs/dbraw/zinc/17/87/63/484178763.db2.gz QAGKKHZKGCADBI-STQMWFEESA-N 0 3 364.402 -0.287 20 0 FBADHN COCCN(C)C[C@@H](O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O ZINC000519616349 484179208 /nfs/dbraw/zinc/17/92/08/484179208.db2.gz SHOSMJYTEJZDSO-SECBINFHSA-N 0 3 351.325 -0.095 20 0 FBADHN COCCN(C)C[C@H](O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O ZINC000519616352 484178944 /nfs/dbraw/zinc/17/89/44/484178944.db2.gz SHOSMJYTEJZDSO-VIFPVBQESA-N 0 3 351.325 -0.095 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000519629125 484180810 /nfs/dbraw/zinc/18/08/10/484180810.db2.gz QGJREKQZURTPAR-KBPBESRZSA-N 0 3 351.451 -0.399 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000519629128 484181172 /nfs/dbraw/zinc/18/11/72/484181172.db2.gz QGJREKQZURTPAR-KGLIPLIRSA-N 0 3 351.451 -0.399 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000519629131 484181188 /nfs/dbraw/zinc/18/11/88/484181188.db2.gz QGJREKQZURTPAR-UONOGXRCSA-N 0 3 351.451 -0.399 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000519629132 484181341 /nfs/dbraw/zinc/18/13/41/484181341.db2.gz QGJREKQZURTPAR-ZIAGYGMSSA-N 0 3 351.451 -0.399 20 0 FBADHN COCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)C(C)C ZINC000519631587 484180998 /nfs/dbraw/zinc/18/09/98/484180998.db2.gz ASLYYTGMRFUADU-ZBFHGGJFSA-N 0 3 370.494 -0.120 20 0 FBADHN CN1CCN(C[C@@H](NC(=O)C(=O)N2CCCNCC2)c2ccccc2)CC1 ZINC000519635007 484181418 /nfs/dbraw/zinc/18/14/18/484181418.db2.gz KXYMVSHXSKOZBY-GOSISDBHSA-N 0 3 373.501 -0.087 20 0 FBADHN CN1CCN(C[C@H](NC(=O)C(=O)N2CCCNCC2)c2ccccc2)CC1 ZINC000519635026 484180206 /nfs/dbraw/zinc/18/02/06/484180206.db2.gz KXYMVSHXSKOZBY-SFHVURJKSA-N 0 3 373.501 -0.087 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000519635063 484180503 /nfs/dbraw/zinc/18/05/03/484180503.db2.gz MHKSFWOQTKPWPI-DOMZBBRYSA-N 0 3 369.368 -0.031 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000519635073 484181398 /nfs/dbraw/zinc/18/13/98/484181398.db2.gz MHKSFWOQTKPWPI-IUODEOHRSA-N 0 3 369.368 -0.031 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000519635075 484181327 /nfs/dbraw/zinc/18/13/27/484181327.db2.gz MHKSFWOQTKPWPI-SWLSCSKDSA-N 0 3 369.368 -0.031 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000519635078 484180768 /nfs/dbraw/zinc/18/07/68/484180768.db2.gz MHKSFWOQTKPWPI-WFASDCNBSA-N 0 3 369.368 -0.031 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000519641640 484180693 /nfs/dbraw/zinc/18/06/93/484180693.db2.gz HPNOJIIGQFCJSX-AWEZNQCLSA-N 0 3 354.451 -0.673 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000519641830 484180281 /nfs/dbraw/zinc/18/02/81/484180281.db2.gz HPNOJIIGQFCJSX-CQSZACIVSA-N 0 3 354.451 -0.673 20 0 FBADHN CN(C)C(=O)N1CCC(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC1 ZINC000519649459 484181245 /nfs/dbraw/zinc/18/12/45/484181245.db2.gz WYKWALJLLAWXBF-UHFFFAOYSA-N 0 3 350.427 -0.454 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1CCN(C)CC1 ZINC000519650698 484181106 /nfs/dbraw/zinc/18/11/06/484181106.db2.gz OWHVMNQCXYDVGN-JYJNAYRXSA-N 0 3 366.510 -0.788 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1CCN(C)CC1 ZINC000519650736 484181046 /nfs/dbraw/zinc/18/10/46/484181046.db2.gz OWHVMNQCXYDVGN-OAGGEKHMSA-N 0 3 366.510 -0.788 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1CCN(C)CC1 ZINC000519650739 484181304 /nfs/dbraw/zinc/18/13/04/484181304.db2.gz OWHVMNQCXYDVGN-PMPSAXMXSA-N 0 3 366.510 -0.788 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1CCN(C)CC1 ZINC000519650744 484180886 /nfs/dbraw/zinc/18/08/86/484180886.db2.gz OWHVMNQCXYDVGN-XHSDSOJGSA-N 0 3 366.510 -0.788 20 0 FBADHN CN(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)C[C@@H]1O ZINC000519651579 484181881 /nfs/dbraw/zinc/18/18/81/484181881.db2.gz PSKSCWWJAYBDOJ-STQMWFEESA-N 0 3 359.423 -0.373 20 0 FBADHN CNC(=O)NC1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000519657489 484182979 /nfs/dbraw/zinc/18/29/79/484182979.db2.gz UYXQKEKKHDDVGD-INIZCTEOSA-N 0 3 373.457 -0.009 20 0 FBADHN CNC(=O)NC1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000519657504 484182572 /nfs/dbraw/zinc/18/25/72/484182572.db2.gz UYXQKEKKHDDVGD-MRXNPFEDSA-N 0 3 373.457 -0.009 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1ncnn1-c1ccccc1 ZINC000519657614 484182409 /nfs/dbraw/zinc/18/24/09/484182409.db2.gz BOVLHXQUJQFGDV-UHFFFAOYSA-N 0 3 360.418 -0.422 20 0 FBADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1F ZINC000519660445 484182384 /nfs/dbraw/zinc/18/23/84/484182384.db2.gz YARAZNYZXGCTTB-GFCCVEGCSA-N 0 3 359.423 -0.195 20 0 FBADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1F ZINC000519660450 484181770 /nfs/dbraw/zinc/18/17/70/484181770.db2.gz YARAZNYZXGCTTB-LBPRGKRZSA-N 0 3 359.423 -0.195 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NCC(=O)N1CCOCC1 ZINC000519667659 484181915 /nfs/dbraw/zinc/18/19/15/484181915.db2.gz XVJQTVHBBADWAU-UHFFFAOYSA-N 0 3 365.434 -0.320 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000519674371 484183829 /nfs/dbraw/zinc/18/38/29/484183829.db2.gz VMPQCBQSXJTODN-AWEZNQCLSA-N 0 3 365.478 -0.967 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000519674422 484184471 /nfs/dbraw/zinc/18/44/71/484184471.db2.gz VMPQCBQSXJTODN-CQSZACIVSA-N 0 3 365.478 -0.967 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000519690487 484184540 /nfs/dbraw/zinc/18/45/40/484184540.db2.gz MTBROPDVYDPBEP-BFHYXJOUSA-N 0 3 366.462 -0.171 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000519690492 484184288 /nfs/dbraw/zinc/18/42/88/484184288.db2.gz MTBROPDVYDPBEP-IHRRRGAJSA-N 0 3 366.462 -0.171 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000519690494 484184134 /nfs/dbraw/zinc/18/41/34/484184134.db2.gz MTBROPDVYDPBEP-MELADBBJSA-N 0 3 366.462 -0.171 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000519690496 484183845 /nfs/dbraw/zinc/18/38/45/484183845.db2.gz MTBROPDVYDPBEP-MJBXVCDLSA-N 0 3 366.462 -0.171 20 0 FBADHN O=C(NCC(=O)N1CCNCC1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000519691511 484183503 /nfs/dbraw/zinc/18/35/03/484183503.db2.gz XXSVRINLMTYPOL-CABCVRRESA-N 0 3 353.467 -0.639 20 0 FBADHN O=C(NCC(=O)N1CCNCC1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000519691519 484183592 /nfs/dbraw/zinc/18/35/92/484183592.db2.gz XXSVRINLMTYPOL-GJZGRUSLSA-N 0 3 353.467 -0.639 20 0 FBADHN O=C(NCC(=O)N1CCNCC1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000519691521 484184513 /nfs/dbraw/zinc/18/45/13/484184513.db2.gz XXSVRINLMTYPOL-HUUCEWRRSA-N 0 3 353.467 -0.639 20 0 FBADHN O=C(NCC(=O)N1CCNCC1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000519691524 484184089 /nfs/dbraw/zinc/18/40/89/484184089.db2.gz XXSVRINLMTYPOL-LSDHHAIUSA-N 0 3 353.467 -0.639 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000519692399 484184428 /nfs/dbraw/zinc/18/44/28/484184428.db2.gz VWQKDCSSPJBQBX-UHFFFAOYSA-N 0 3 367.494 -0.743 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)C[C@@H]1O ZINC000519698206 484184029 /nfs/dbraw/zinc/18/40/29/484184029.db2.gz BCHPSPRNPVYQTL-HOTGVXAUSA-N 0 3 352.504 -0.001 20 0 FBADHN COC[C@H](C)OC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000519698724 484185358 /nfs/dbraw/zinc/18/53/58/484185358.db2.gz JFGJXXYMXQOGKX-BFHYXJOUSA-N 0 3 350.481 -0.055 20 0 FBADHN COC[C@@H](C)OC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000519698751 484185591 /nfs/dbraw/zinc/18/55/91/484185591.db2.gz JFGJXXYMXQOGKX-MCIONIFRSA-N 0 3 350.481 -0.055 20 0 FBADHN COC[C@@H](C)OC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000519698753 484185931 /nfs/dbraw/zinc/18/59/31/484185931.db2.gz JFGJXXYMXQOGKX-MGPQQGTHSA-N 0 3 350.481 -0.055 20 0 FBADHN COC[C@H](C)OC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000519698758 484185389 /nfs/dbraw/zinc/18/53/89/484185389.db2.gz JFGJXXYMXQOGKX-MJBXVCDLSA-N 0 3 350.481 -0.055 20 0 FBADHN COC1([C@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CCOCC1 ZINC000519698791 484185784 /nfs/dbraw/zinc/18/57/84/484185784.db2.gz VEWNWPGIPXUHIZ-HNNXBMFYSA-N 0 3 372.510 -0.362 20 0 FBADHN COC1([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CCOCC1 ZINC000519698801 484185373 /nfs/dbraw/zinc/18/53/73/484185373.db2.gz VEWNWPGIPXUHIZ-OAHLLOKOSA-N 0 3 372.510 -0.362 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000519707525 484185140 /nfs/dbraw/zinc/18/51/40/484185140.db2.gz NJZFRUYTVCBDNZ-AWEZNQCLSA-N 0 3 361.450 -0.608 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000519707594 484185741 /nfs/dbraw/zinc/18/57/41/484185741.db2.gz NJZFRUYTVCBDNZ-CQSZACIVSA-N 0 3 361.450 -0.608 20 0 FBADHN NS(=O)(=O)C1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 ZINC000519712082 484186166 /nfs/dbraw/zinc/18/61/66/484186166.db2.gz UJXTVESEUGMRMI-UHFFFAOYSA-N 0 3 367.475 -0.469 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4cnccc43)CCN2C1=O ZINC000519712177 484185728 /nfs/dbraw/zinc/18/57/28/484185728.db2.gz OJJWWPLXLQQEHI-GXTWGEPZSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4cnccc43)CCN2C1=O ZINC000519712197 484186202 /nfs/dbraw/zinc/18/62/02/484186202.db2.gz OJJWWPLXLQQEHI-JSGCOSHPSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4cnccc43)CCN2C1=O ZINC000519712205 484185623 /nfs/dbraw/zinc/18/56/23/484185623.db2.gz OJJWWPLXLQQEHI-OCCSQVGLSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4cnccc43)CCN2C1=O ZINC000519712216 484185303 /nfs/dbraw/zinc/18/53/03/484185303.db2.gz OJJWWPLXLQQEHI-TZMCWYRMSA-N 0 3 353.382 -0.056 20 0 FBADHN CC(=O)N(CCc1ccccc1)CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519718020 484185908 /nfs/dbraw/zinc/18/59/08/484185908.db2.gz YKLRSDGRXKUMCN-DLBZAZTESA-N 0 3 358.442 -0.152 20 0 FBADHN CC(=O)N(CCc1ccccc1)CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519718067 484185574 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FBADHN CC(C)NS(=O)(=O)c1cccnc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519780671 484188492 /nfs/dbraw/zinc/18/84/92/484188492.db2.gz STOSBEWBWYOEMD-VXGBXAGGSA-N 0 3 353.448 -0.484 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000519782834 484189119 /nfs/dbraw/zinc/18/91/19/484189119.db2.gz ZFUDWDGDZFTVGF-GHMZBOCLSA-N 0 3 364.368 -0.182 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000519782960 484188910 /nfs/dbraw/zinc/18/89/10/484188910.db2.gz ZFUDWDGDZFTVGF-MNOVXSKESA-N 0 3 364.368 -0.182 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000519782966 484188721 /nfs/dbraw/zinc/18/87/21/484188721.db2.gz ZFUDWDGDZFTVGF-QWRGUYRKSA-N 0 3 364.368 -0.182 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000519782973 484188756 /nfs/dbraw/zinc/18/87/56/484188756.db2.gz ZFUDWDGDZFTVGF-WDEREUQCSA-N 0 3 364.368 -0.182 20 0 FBADHN CC[C@H](NC(=O)C(=O)NC1CNC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000519814404 484192473 /nfs/dbraw/zinc/19/24/73/484192473.db2.gz VXKOCDDZFNYAFN-DLBZAZTESA-N 0 3 360.458 -0.130 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NC1CNC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000519814447 484192226 /nfs/dbraw/zinc/19/22/26/484192226.db2.gz VXKOCDDZFNYAFN-IAGOWNOFSA-N 0 3 360.458 -0.130 20 0 FBADHN CC[C@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000519814452 484192418 /nfs/dbraw/zinc/19/24/18/484192418.db2.gz VXKOCDDZFNYAFN-IRXDYDNUSA-N 0 3 360.458 -0.130 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000519814455 484192143 /nfs/dbraw/zinc/19/21/43/484192143.db2.gz VXKOCDDZFNYAFN-SJORKVTESA-N 0 3 360.458 -0.130 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)Cn3cnc4c(cnn4C)c3=O)[C@H]2C1 ZINC000519814924 484192453 /nfs/dbraw/zinc/19/24/53/484192453.db2.gz WQZMPPAVIMVKEX-UONOGXRCSA-N 0 3 360.418 -0.548 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000519819415 484192239 /nfs/dbraw/zinc/19/22/39/484192239.db2.gz LYBKKFABTYLWEB-CYBMUJFWSA-N 0 3 357.476 -0.104 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000519819422 484191633 /nfs/dbraw/zinc/19/16/33/484191633.db2.gz LYBKKFABTYLWEB-ZDUSSCGKSA-N 0 3 357.476 -0.104 20 0 FBADHN CCOC[C@@H](O)CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000519825975 484192440 /nfs/dbraw/zinc/19/24/40/484192440.db2.gz XBNSWABIJZHZCP-HNNXBMFYSA-N 0 3 372.491 -0.480 20 0 FBADHN CCOC[C@H](O)CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000519826003 484192490 /nfs/dbraw/zinc/19/24/90/484192490.db2.gz XBNSWABIJZHZCP-OAHLLOKOSA-N 0 3 372.491 -0.480 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C[C@@H]1O ZINC000519832324 484192642 /nfs/dbraw/zinc/19/26/42/484192642.db2.gz JRQMADYCMLOTNZ-KBPBESRZSA-N 0 3 359.423 -0.226 20 0 FBADHN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCO1 ZINC000519832680 484191866 /nfs/dbraw/zinc/19/18/66/484191866.db2.gz JYODZXBSHFRXPQ-MQYQWHSLSA-N 0 3 352.435 -0.923 20 0 FBADHN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCO1 ZINC000519832683 484191577 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351.451 -0.342 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CN3CCC2CC3)cn1C ZINC000520373392 484237891 /nfs/dbraw/zinc/23/78/91/484237891.db2.gz UAZVZKAUVXCWRQ-CYBMUJFWSA-N 0 3 355.464 -0.441 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@H]2CN3CCC2CC3)cn1C ZINC000520373393 484237385 /nfs/dbraw/zinc/23/73/85/484237385.db2.gz UAZVZKAUVXCWRQ-ZDUSSCGKSA-N 0 3 355.464 -0.441 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCC[C@@H]3CCC[NH2+]3)cnc21 ZINC000520406356 484243314 /nfs/dbraw/zinc/24/33/14/484243314.db2.gz ATTUZJKSNBESSE-JTQLQIEISA-N 0 3 367.431 -0.155 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCC[C@H]3CCC[NH2+]3)cnc21 ZINC000520406357 484243210 /nfs/dbraw/zinc/24/32/10/484243210.db2.gz ATTUZJKSNBESSE-SNVBAGLBSA-N 0 3 367.431 -0.155 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cnc21 ZINC000520406994 484243968 /nfs/dbraw/zinc/24/39/68/484243968.db2.gz YUVFDRUAMWYMCF-NXEZZACHSA-N 0 3 365.415 -0.736 20 0 FBADHN 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/nfs/dbraw/zinc/24/65/84/484246584.db2.gz GQZMOXNVMBBYNA-AWEZNQCLSA-N 0 3 365.496 -0.441 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000520422527 484246490 /nfs/dbraw/zinc/24/64/90/484246490.db2.gz GQZMOXNVMBBYNA-CQSZACIVSA-N 0 3 365.496 -0.441 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000520429322 484245631 /nfs/dbraw/zinc/24/56/31/484245631.db2.gz KMMKBOZNSDLVFQ-UHFFFAOYSA-N 0 3 373.417 -0.172 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCN1CCC(O)CC1 ZINC000520430069 484246190 /nfs/dbraw/zinc/24/61/90/484246190.db2.gz YVBKNZFFXASXCQ-UHFFFAOYSA-N 0 3 373.523 -0.203 20 0 FBADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1S(N)(=O)=O ZINC000520430917 484246312 /nfs/dbraw/zinc/24/63/12/484246312.db2.gz RHXGEPUQWLKHIN-NEPJUHHUSA-N 0 3 367.431 -0.582 20 0 FBADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1S(N)(=O)=O ZINC000520430918 484245735 /nfs/dbraw/zinc/24/57/35/484245735.db2.gz RHXGEPUQWLKHIN-NWDGAFQWSA-N 0 3 367.431 -0.582 20 0 FBADHN 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/nfs/dbraw/zinc/24/77/16/484247716.db2.gz IZXPPRAXOKENLT-SOUVJXGZSA-N 0 3 352.439 -0.390 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCCc1nn(C)c2ccccc12 ZINC000520449382 484247596 /nfs/dbraw/zinc/24/75/96/484247596.db2.gz GBVXUSCFZJHIRL-UHFFFAOYSA-N 0 3 361.446 -0.074 20 0 FBADHN CN1CCN(CCCCNC(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000520472611 484247426 /nfs/dbraw/zinc/24/74/26/484247426.db2.gz JHSMZDCPGANZQR-UHFFFAOYSA-N 0 3 355.483 -0.438 20 0 FBADHN CN1CCN(CCCCNC(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000520472637 484247614 /nfs/dbraw/zinc/24/76/14/484247614.db2.gz OFULNCFMTGPYOE-UHFFFAOYSA-N 0 3 363.466 -0.467 20 0 FBADHN O=C(CNC(=O)N1CC(=O)N(C2CC2)C1)NCCN1CCCCCC1 ZINC000520486085 484249647 /nfs/dbraw/zinc/24/96/47/484249647.db2.gz FDFZNYGYMMGQGV-UHFFFAOYSA-N 0 3 351.451 -0.048 20 0 FBADHN CC(C(=O)NCCCCN1CCN(c2ncccn2)CC1)S(C)(=O)=O ZINC000520533197 484252042 /nfs/dbraw/zinc/25/20/42/484252042.db2.gz FMOFFMSULPOHBY-AWEZNQCLSA-N 0 3 369.491 -0.072 20 0 FBADHN CC(C(=O)NCCCCN1CCN(c2ncccn2)CC1)S(C)(=O)=O ZINC000520533198 484251974 /nfs/dbraw/zinc/25/19/74/484251974.db2.gz FMOFFMSULPOHBY-CQSZACIVSA-N 0 3 369.491 -0.072 20 0 FBADHN CN(C)C[C@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000520549870 484253974 /nfs/dbraw/zinc/25/39/74/484253974.db2.gz CRXYUECWUDVIAD-GFCCVEGCSA-N 0 3 362.434 -0.624 20 0 FBADHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000520549871 484253722 /nfs/dbraw/zinc/25/37/22/484253722.db2.gz CRXYUECWUDVIAD-LBPRGKRZSA-N 0 3 362.434 -0.624 20 0 FBADHN CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000520571392 484258331 /nfs/dbraw/zinc/25/83/31/484258331.db2.gz SAFQELRAVYELCM-AWEZNQCLSA-N 0 3 364.446 -0.319 20 0 FBADHN CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000520571393 484258369 /nfs/dbraw/zinc/25/83/69/484258369.db2.gz SAFQELRAVYELCM-CQSZACIVSA-N 0 3 364.446 -0.319 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000520577072 484257621 /nfs/dbraw/zinc/25/76/21/484257621.db2.gz KOQYCSGRXCCNHH-CYBMUJFWSA-N 0 3 365.434 -0.917 20 0 FBADHN CN1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000520577073 484257167 /nfs/dbraw/zinc/25/71/67/484257167.db2.gz KOQYCSGRXCCNHH-ZDUSSCGKSA-N 0 3 365.434 -0.917 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1 ZINC000520584375 484258310 /nfs/dbraw/zinc/25/83/10/484258310.db2.gz XRYLEHHLIFIRQX-CSJGVYOVSA-N 0 3 358.391 -0.342 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1 ZINC000520584376 484257766 /nfs/dbraw/zinc/25/77/66/484257766.db2.gz XRYLEHHLIFIRQX-NOEPWBJOSA-N 0 3 358.391 -0.342 20 0 FBADHN C[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)N(C)C1CC1 ZINC000520608990 484258349 /nfs/dbraw/zinc/25/83/49/484258349.db2.gz BYAXBVABZUXTFC-GFCCVEGCSA-N 0 3 351.451 -0.399 20 0 FBADHN C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)N(C)C1CC1 ZINC000520608995 484257451 /nfs/dbraw/zinc/25/74/51/484257451.db2.gz BYAXBVABZUXTFC-LBPRGKRZSA-N 0 3 351.451 -0.399 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000520610887 484257412 /nfs/dbraw/zinc/25/74/12/484257412.db2.gz BKRQYCMVPPEEDX-KBPBESRZSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000520610890 484257075 /nfs/dbraw/zinc/25/70/75/484257075.db2.gz BKRQYCMVPPEEDX-KGLIPLIRSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000520610891 484257944 /nfs/dbraw/zinc/25/79/44/484257944.db2.gz BKRQYCMVPPEEDX-UONOGXRCSA-N 0 3 360.480 -0.168 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000520610893 484258183 /nfs/dbraw/zinc/25/81/83/484258183.db2.gz BKRQYCMVPPEEDX-ZIAGYGMSSA-N 0 3 360.480 -0.168 20 0 FBADHN CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000520612486 484259577 /nfs/dbraw/zinc/25/95/77/484259577.db2.gz HDKSBOPQPSFEHK-CABCVRRESA-N 0 3 373.413 -0.968 20 0 FBADHN CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000520612487 484259213 /nfs/dbraw/zinc/25/92/13/484259213.db2.gz HDKSBOPQPSFEHK-GJZGRUSLSA-N 0 3 373.413 -0.968 20 0 FBADHN CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000520612488 484259097 /nfs/dbraw/zinc/25/90/97/484259097.db2.gz HDKSBOPQPSFEHK-HUUCEWRRSA-N 0 3 373.413 -0.968 20 0 FBADHN CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000520612489 484259500 /nfs/dbraw/zinc/25/95/00/484259500.db2.gz HDKSBOPQPSFEHK-LSDHHAIUSA-N 0 3 373.413 -0.968 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(F)c(Cl)c3)CCN2C1=O ZINC000520612582 484260326 /nfs/dbraw/zinc/26/03/26/484260326.db2.gz MQDQDFKSFDNTPM-GWCFXTLKSA-N 0 3 368.796 -0.134 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(F)c(Cl)c3)CCN2C1=O ZINC000520612583 484260184 /nfs/dbraw/zinc/26/01/84/484260184.db2.gz MQDQDFKSFDNTPM-GXFFZTMASA-N 0 3 368.796 -0.134 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(F)c(Cl)c3)CCN2C1=O ZINC000520612584 484259041 /nfs/dbraw/zinc/25/90/41/484259041.db2.gz MQDQDFKSFDNTPM-MFKMUULPSA-N 0 3 368.796 -0.134 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(F)c(Cl)c3)CCN2C1=O ZINC000520612585 484259466 /nfs/dbraw/zinc/25/94/66/484259466.db2.gz MQDQDFKSFDNTPM-ZWNOBZJWSA-N 0 3 368.796 -0.134 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000520618979 484259255 /nfs/dbraw/zinc/25/92/55/484259255.db2.gz DNNRUEZPLSDULS-DLBZAZTESA-N 0 3 367.538 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000520618980 484259970 /nfs/dbraw/zinc/25/99/70/484259970.db2.gz DNNRUEZPLSDULS-IAGOWNOFSA-N 0 3 367.538 -0.025 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000520618981 484259201 /nfs/dbraw/zinc/25/92/01/484259201.db2.gz DNNRUEZPLSDULS-IRXDYDNUSA-N 0 3 367.538 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000520618982 484259797 /nfs/dbraw/zinc/25/97/97/484259797.db2.gz DNNRUEZPLSDULS-SJORKVTESA-N 0 3 367.538 -0.025 20 0 FBADHN CCCN1CCC[C@H]1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000520638832 484261693 /nfs/dbraw/zinc/26/16/93/484261693.db2.gz NUADODPHBHUEMC-AWEZNQCLSA-N 0 3 364.454 -0.599 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000520695032 484273215 /nfs/dbraw/zinc/27/32/15/484273215.db2.gz LFRFVJCGQQZTHZ-BZSNNMDCSA-N 0 3 370.538 -0.058 20 0 FBADHN CN(C)CCN1CCC(NC(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000520697636 484273651 /nfs/dbraw/zinc/27/36/51/484273651.db2.gz MXOFRRLVVRSXHF-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN CCN(CC)CC(=O)N1CCN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000520737018 484285520 /nfs/dbraw/zinc/28/55/20/484285520.db2.gz QHGJHRJINIQEKP-HNNXBMFYSA-N 0 3 367.494 -0.839 20 0 FBADHN CCN(CC)CC(=O)N1CCN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000520737019 484286453 /nfs/dbraw/zinc/28/64/53/484286453.db2.gz QHGJHRJINIQEKP-OAHLLOKOSA-N 0 3 367.494 -0.839 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000520764796 484631221 /nfs/dbraw/zinc/63/12/21/484631221.db2.gz GEIAKNYBQPDMLI-CYBMUJFWSA-N 0 3 371.463 -0.665 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000520764796 484631216 /nfs/dbraw/zinc/63/12/16/484631216.db2.gz GEIAKNYBQPDMLI-CYBMUJFWSA-N 0 3 371.463 -0.665 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000520764797 484630942 /nfs/dbraw/zinc/63/09/42/484630942.db2.gz GEIAKNYBQPDMLI-ZDUSSCGKSA-N 0 3 371.463 -0.665 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000520764797 484630938 /nfs/dbraw/zinc/63/09/38/484630938.db2.gz GEIAKNYBQPDMLI-ZDUSSCGKSA-N 0 3 371.463 -0.665 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)CCOC1CNC1 ZINC000520807502 485276724 /nfs/dbraw/zinc/27/67/24/485276724.db2.gz HZTMWTOLSVNEEH-UHFFFAOYSA-N 0 3 371.459 -0.706 20 0 FBADHN CN1CCC[C@@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000520832272 484237890 /nfs/dbraw/zinc/23/78/90/484237890.db2.gz FTZMAMQMUVPJOP-JTQLQIEISA-N 0 3 367.431 -0.346 20 0 FBADHN CN1CCC[C@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000520832277 484236906 /nfs/dbraw/zinc/23/69/06/484236906.db2.gz FTZMAMQMUVPJOP-SNVBAGLBSA-N 0 3 367.431 -0.346 20 0 FBADHN CNC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000520841134 484261938 /nfs/dbraw/zinc/26/19/38/484261938.db2.gz GOJUKOVCTPEOPW-CABCVRRESA-N 0 3 359.430 -0.458 20 0 FBADHN CNC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000520841135 484262001 /nfs/dbraw/zinc/26/20/01/484262001.db2.gz GOJUKOVCTPEOPW-GJZGRUSLSA-N 0 3 359.430 -0.458 20 0 FBADHN CNC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000520841136 484262502 /nfs/dbraw/zinc/26/25/02/484262502.db2.gz GOJUKOVCTPEOPW-HUUCEWRRSA-N 0 3 359.430 -0.458 20 0 FBADHN CNC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000520841137 484261894 /nfs/dbraw/zinc/26/18/94/484261894.db2.gz GOJUKOVCTPEOPW-LSDHHAIUSA-N 0 3 359.430 -0.458 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4ccncc43)CCN2C1=O ZINC000520841256 484262396 /nfs/dbraw/zinc/26/23/96/484262396.db2.gz KODYUYHDVKSQBS-GXTWGEPZSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4ccncc43)CCN2C1=O ZINC000520841257 484262347 /nfs/dbraw/zinc/26/23/47/484262347.db2.gz KODYUYHDVKSQBS-JSGCOSHPSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4ccncc43)CCN2C1=O ZINC000520841258 484262225 /nfs/dbraw/zinc/26/22/25/484262225.db2.gz KODYUYHDVKSQBS-OCCSQVGLSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4ccncc43)CCN2C1=O ZINC000520841259 484262030 /nfs/dbraw/zinc/26/20/30/484262030.db2.gz KODYUYHDVKSQBS-TZMCWYRMSA-N 0 3 353.382 -0.056 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1COc2ccccc21 ZINC000520841300 484261810 /nfs/dbraw/zinc/26/18/10/484261810.db2.gz MRCXVDQEDZPCET-CTHBEMJXSA-N 0 3 372.425 -0.562 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1COc2ccccc21 ZINC000520841301 484262193 /nfs/dbraw/zinc/26/21/93/484262193.db2.gz MRCXVDQEDZPCET-DDHJSBNISA-N 0 3 372.425 -0.562 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1COc2ccccc21 ZINC000520841302 484263049 /nfs/dbraw/zinc/26/30/49/484263049.db2.gz MRCXVDQEDZPCET-MYZSUADSSA-N 0 3 372.425 -0.562 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1COc2ccccc21 ZINC000520841303 484264287 /nfs/dbraw/zinc/26/42/87/484264287.db2.gz MRCXVDQEDZPCET-NZBPQXDJSA-N 0 3 372.425 -0.562 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N(C)C)c1 ZINC000520883162 484278198 /nfs/dbraw/zinc/27/81/98/484278198.db2.gz BAWCIKXVAZBIIL-UHFFFAOYSA-N 0 3 356.448 -0.010 20 0 FBADHN CC(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000520901027 484278377 /nfs/dbraw/zinc/27/83/77/484278377.db2.gz CNGZSSYMJXFZRQ-UHFFFAOYSA-N 0 3 372.447 -0.448 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)NCCNC(=O)C2CC2)CC1 ZINC000520979829 484279684 /nfs/dbraw/zinc/27/96/84/484279684.db2.gz PSHGMSCOENQULR-UHFFFAOYSA-N 0 3 353.467 -0.246 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)NCCN2CCOCC2)CC1 ZINC000520979950 484279464 /nfs/dbraw/zinc/27/94/64/484279464.db2.gz ZSCFJXPJAPKFFM-UHFFFAOYSA-N 0 3 355.483 -0.440 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)NC[C@H](O)CN2CCC(C)CC2)CC1 ZINC000520986818 484279817 /nfs/dbraw/zinc/27/98/17/484279817.db2.gz IHADOBCMZVWXLT-INIZCTEOSA-N 0 3 369.510 -0.411 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)NC[C@@H](O)CN2CCC(C)CC2)CC1 ZINC000520986819 484279412 /nfs/dbraw/zinc/27/94/12/484279412.db2.gz IHADOBCMZVWXLT-MRXNPFEDSA-N 0 3 369.510 -0.411 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(Cn3ccnc3)c2)[C@@H](CN)C1 ZINC000521008144 484279930 /nfs/dbraw/zinc/27/99/30/484279930.db2.gz RNKMWFVBOWLHIA-KRWDZBQOSA-N 0 3 370.457 -0.351 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(Cn3ccnc3)c2)[C@H](CN)C1 ZINC000521008145 484279211 /nfs/dbraw/zinc/27/92/11/484279211.db2.gz RNKMWFVBOWLHIA-QGZVFWFLSA-N 0 3 370.457 -0.351 20 0 FBADHN CCn1cc(CC(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)cn1 ZINC000521033697 483894031 /nfs/dbraw/zinc/89/40/31/483894031.db2.gz ZZTRPAXXBSARLC-HNNXBMFYSA-N 0 3 351.451 -0.259 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)cn1 ZINC000521033698 483893901 /nfs/dbraw/zinc/89/39/01/483893901.db2.gz ZZTRPAXXBSARLC-OAHLLOKOSA-N 0 3 351.451 -0.259 20 0 FBADHN CCO[C@H]1C[C@](NC(=O)CNC(=O)[C@@H](N)C(C)C)(C(=O)OC)C1(C)C ZINC000521046451 484280048 /nfs/dbraw/zinc/28/00/48/484280048.db2.gz QFKCFDUVGNPFLV-BNLOLNQZSA-N 0 3 357.451 -0.051 20 0 FBADHN CCO[C@@H]1C[C@@](NC(=O)CNC(=O)[C@@H](N)C(C)C)(C(=O)OC)C1(C)C ZINC000521046452 484279620 /nfs/dbraw/zinc/27/96/20/484279620.db2.gz QFKCFDUVGNPFLV-BTJLNZGRSA-N 0 3 357.451 -0.051 20 0 FBADHN CCO[C@H]1C[C@@](NC(=O)CNC(=O)[C@@H](N)C(C)C)(C(=O)OC)C1(C)C ZINC000521046453 484279670 /nfs/dbraw/zinc/27/96/70/484279670.db2.gz QFKCFDUVGNPFLV-PLQHRBFRSA-N 0 3 357.451 -0.051 20 0 FBADHN CCO[C@@H]1C[C@](NC(=O)CNC(=O)[C@@H](N)C(C)C)(C(=O)OC)C1(C)C ZINC000521046454 483571048 /nfs/dbraw/zinc/57/10/48/483571048.db2.gz QFKCFDUVGNPFLV-ZUCKAHLUSA-N 0 3 357.451 -0.051 20 0 FBADHN O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000521050303 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20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000521414028 483835679 /nfs/dbraw/zinc/83/56/79/483835679.db2.gz LLGUKUPTRDXUPS-CHWSQXEVSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000521414029 483835689 /nfs/dbraw/zinc/83/56/89/483835689.db2.gz LLGUKUPTRDXUPS-OLZOCXBDSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000521414030 483835471 /nfs/dbraw/zinc/83/54/71/483835471.db2.gz LLGUKUPTRDXUPS-QWHCGFSZSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000521414031 483835852 /nfs/dbraw/zinc/83/58/52/483835852.db2.gz LLGUKUPTRDXUPS-STQMWFEESA-N 0 3 360.480 -0.840 20 0 FBADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000521424241 483841673 /nfs/dbraw/zinc/84/16/73/483841673.db2.gz FCSCJKJVCVDSKL-UHFFFAOYSA-N 0 3 350.444 -0.146 20 0 FBADHN O=C(C[C@@H]1CSCCN1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000521432748 483843263 /nfs/dbraw/zinc/84/32/63/483843263.db2.gz DRPKLRSEBZBMST-LLVKDONJSA-N 0 3 359.477 -0.662 20 0 FBADHN O=C(C[C@H]1CSCCN1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000521432749 483843144 /nfs/dbraw/zinc/84/31/44/483843144.db2.gz DRPKLRSEBZBMST-NSHDSACASA-N 0 3 359.477 -0.662 20 0 FBADHN COc1cccc(C(=O)NCC(=O)Nc2nc(N3CCNCC3)n[nH]2)c1 ZINC000521433568 483843206 /nfs/dbraw/zinc/84/32/06/483843206.db2.gz ISATWOXCJFYKGI-UHFFFAOYSA-N 0 3 359.390 -0.409 20 0 FBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCCNCC2)cc1 ZINC000521433686 483843260 /nfs/dbraw/zinc/84/32/60/483843260.db2.gz RCJNVAIAJLUPLB-UHFFFAOYSA-N 0 3 369.443 -0.037 20 0 FBADHN O=C(c1cc(-c2ccoc2)[nH]n1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000521438074 483883906 /nfs/dbraw/zinc/88/39/06/483883906.db2.gz OFHDJCBKECMIDC-UHFFFAOYSA-N 0 3 365.415 -0.271 20 0 FBADHN C[C@@H](NC(=O)c1nc(N)nc(N(C)C)n1)C(=O)NCCN1CCCCC1 ZINC000521452457 484518111 /nfs/dbraw/zinc/51/81/11/484518111.db2.gz KFLGWDLGGMZOLR-LLVKDONJSA-N 0 3 364.454 -0.760 20 0 FBADHN COCCN(CCN(C)C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000521480700 484926916 /nfs/dbraw/zinc/92/69/16/484926916.db2.gz VPPDYWYSWQECKP-UHFFFAOYSA-N 0 3 358.464 -0.261 20 0 FBADHN C[C@H]1c2nncn2CCN1C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000521496183 484294827 /nfs/dbraw/zinc/29/48/27/484294827.db2.gz PTOJWOYNTHAKAE-KBPBESRZSA-N 0 3 364.450 -0.202 20 0 FBADHN C[C@H]1c2nncn2CCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000521496184 484293604 /nfs/dbraw/zinc/29/36/04/484293604.db2.gz PTOJWOYNTHAKAE-KGLIPLIRSA-N 0 3 364.450 -0.202 20 0 FBADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000521496185 484294806 /nfs/dbraw/zinc/29/48/06/484294806.db2.gz PTOJWOYNTHAKAE-UONOGXRCSA-N 0 3 364.450 -0.202 20 0 FBADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000521496186 484293968 /nfs/dbraw/zinc/29/39/68/484293968.db2.gz PTOJWOYNTHAKAE-ZIAGYGMSSA-N 0 3 364.450 -0.202 20 0 FBADHN Cn1cc(N2C(=O)C[C@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cn1 ZINC000521536784 484296111 /nfs/dbraw/zinc/29/61/11/484296111.db2.gz BKUVWOVMIYWRTK-HNNXBMFYSA-N 0 3 374.445 -0.708 20 0 FBADHN Cn1cc(N2C(=O)C[C@@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cn1 ZINC000521536786 484295475 /nfs/dbraw/zinc/29/54/75/484295475.db2.gz BKUVWOVMIYWRTK-OAHLLOKOSA-N 0 3 374.445 -0.708 20 0 FBADHN CN(C)C(=O)Cn1cc(C(=O)Nc2cnccc2N2CCN(C)CC2)nn1 ZINC000521554338 484297116 /nfs/dbraw/zinc/29/71/16/484297116.db2.gz ANPXMTOSPFPACN-UHFFFAOYSA-N 0 3 372.433 -0.235 20 0 FBADHN COCCOc1cccc(CNC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000521639171 484299352 /nfs/dbraw/zinc/29/93/52/484299352.db2.gz AWUIPUWFXAASTO-IRXDYDNUSA-N 0 3 351.447 -0.065 20 0 FBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000521646435 484298785 /nfs/dbraw/zinc/29/87/85/484298785.db2.gz SSODEAAUPICRNN-CMPLNLGQSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000521646436 484298645 /nfs/dbraw/zinc/29/86/45/484298645.db2.gz SSODEAAUPICRNN-JQWIXIFHSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000521646437 484298256 /nfs/dbraw/zinc/29/82/56/484298256.db2.gz SSODEAAUPICRNN-PWSUYJOCSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000521646438 484298818 /nfs/dbraw/zinc/29/88/18/484298818.db2.gz SSODEAAUPICRNN-ZYHUDNBSSA-N 0 3 355.416 -0.364 20 0 FBADHN CN1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000521649168 484300333 /nfs/dbraw/zinc/30/03/33/484300333.db2.gz DJRXEUMXGBZDQP-UHFFFAOYSA-N 0 3 364.450 -0.902 20 0 FBADHN CNC(=O)CC1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000521651096 484300446 /nfs/dbraw/zinc/30/04/46/484300446.db2.gz RCBMEBGQCIPHDM-KRWDZBQOSA-N 0 3 370.519 -0.085 20 0 FBADHN CNC(=O)CC1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000521651097 484300628 /nfs/dbraw/zinc/30/06/28/484300628.db2.gz RCBMEBGQCIPHDM-QGZVFWFLSA-N 0 3 370.519 -0.085 20 0 FBADHN Cc1cccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000521668219 484299997 /nfs/dbraw/zinc/29/99/97/484299997.db2.gz OKNGENZGTJCBSI-BMFZPTHFSA-N 0 3 358.442 -0.015 20 0 FBADHN Cc1cccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000521668221 484300473 /nfs/dbraw/zinc/30/04/73/484300473.db2.gz OKNGENZGTJCBSI-FVQBIDKESA-N 0 3 358.442 -0.015 20 0 FBADHN Cc1cccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000521668222 484300281 /nfs/dbraw/zinc/30/02/81/484300281.db2.gz OKNGENZGTJCBSI-KBMXLJTQSA-N 0 3 358.442 -0.015 20 0 FBADHN Cc1cccc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000521668223 484300054 /nfs/dbraw/zinc/30/00/54/484300054.db2.gz OKNGENZGTJCBSI-VNQPRFMTSA-N 0 3 358.442 -0.015 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@@H]1n1cccn1 ZINC000521669340 484301055 /nfs/dbraw/zinc/30/10/55/484301055.db2.gz UCCXQWVSVDIXKE-QMIVOQANSA-N 0 3 362.434 -0.445 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@H]1n1cccn1 ZINC000521669341 484300939 /nfs/dbraw/zinc/30/09/39/484300939.db2.gz UCCXQWVSVDIXKE-UXXRCYHCSA-N 0 3 362.434 -0.445 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@H]1n1cccn1 ZINC000521669342 484301001 /nfs/dbraw/zinc/30/10/01/484301001.db2.gz UCCXQWVSVDIXKE-XPABHHOTSA-N 0 3 362.434 -0.445 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@@H]1n1cccn1 ZINC000521669343 484300430 /nfs/dbraw/zinc/30/04/30/484300430.db2.gz UCCXQWVSVDIXKE-ZQNQSHIBSA-N 0 3 362.434 -0.445 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnc(CC4CC4)nc3)CCN2C1=O ZINC000521669418 484300148 /nfs/dbraw/zinc/30/01/48/484300148.db2.gz VXHPZFSISSMDPQ-CHWSQXEVSA-N 0 3 358.402 -0.862 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnc(CC4CC4)nc3)CCN2C1=O ZINC000521669419 484302450 /nfs/dbraw/zinc/30/24/50/484302450.db2.gz VXHPZFSISSMDPQ-OLZOCXBDSA-N 0 3 358.402 -0.862 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnc(CC4CC4)nc3)CCN2C1=O ZINC000521669420 484301464 /nfs/dbraw/zinc/30/14/64/484301464.db2.gz VXHPZFSISSMDPQ-QWHCGFSZSA-N 0 3 358.402 -0.862 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnc(CC4CC4)nc3)CCN2C1=O ZINC000521669421 484302463 /nfs/dbraw/zinc/30/24/63/484302463.db2.gz VXHPZFSISSMDPQ-STQMWFEESA-N 0 3 358.402 -0.862 20 0 FBADHN O=C(COCC(=O)N[C@H]1CCN(C2CC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000521677928 484301985 /nfs/dbraw/zinc/30/19/85/484301985.db2.gz OAZFEJOKVUFNRS-KBPBESRZSA-N 0 3 350.463 -0.291 20 0 FBADHN O=C(COCC(=O)N[C@H]1CCN(C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000521677930 484301570 /nfs/dbraw/zinc/30/15/70/484301570.db2.gz OAZFEJOKVUFNRS-OKILXGFUSA-N 0 3 350.463 -0.291 20 0 FBADHN O=C(COCC(=O)N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000521677932 484301679 /nfs/dbraw/zinc/30/16/79/484301679.db2.gz OAZFEJOKVUFNRS-ZIAGYGMSSA-N 0 3 350.463 -0.291 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CN1C1CC1 ZINC000521681180 484301801 /nfs/dbraw/zinc/30/18/01/484301801.db2.gz RRKWAKBNRSLQIL-KBPBESRZSA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CN1C1CC1 ZINC000521681181 484302664 /nfs/dbraw/zinc/30/26/64/484302664.db2.gz RRKWAKBNRSLQIL-KGLIPLIRSA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CN1C1CC1 ZINC000521681282 484302335 /nfs/dbraw/zinc/30/23/35/484302335.db2.gz RRKWAKBNRSLQIL-UONOGXRCSA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CN1C1CC1 ZINC000521681283 484301952 /nfs/dbraw/zinc/30/19/52/484301952.db2.gz RRKWAKBNRSLQIL-ZIAGYGMSSA-N 0 3 352.479 -0.357 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000521683159 484302205 /nfs/dbraw/zinc/30/22/05/484302205.db2.gz KFJXGUYATMJSTJ-UHFFFAOYSA-N 0 3 366.466 -0.015 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000521684370 484302583 /nfs/dbraw/zinc/30/25/83/484302583.db2.gz RJGCJQOPVWPQSN-UHFFFAOYSA-N 0 3 352.435 -0.447 20 0 FBADHN COCCN(C)CCCNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000521698581 484303775 /nfs/dbraw/zinc/30/37/75/484303775.db2.gz SYOXRCMCKOAOGY-UHFFFAOYSA-N 0 3 371.482 -0.665 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)NCCNS(C)(=O)=O)CC1 ZINC000521702783 484304127 /nfs/dbraw/zinc/30/41/27/484304127.db2.gz LGAGNBZCVABVQU-UHFFFAOYSA-N 0 3 350.485 -0.276 20 0 FBADHN COCCCN1CCC(NC(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000521765121 484305305 /nfs/dbraw/zinc/30/53/05/484305305.db2.gz FXYYGKFTLUHMKI-UHFFFAOYSA-N 0 3 355.439 -0.272 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000521844829 484307558 /nfs/dbraw/zinc/30/75/58/484307558.db2.gz NGOUDVVVCVCIFQ-UHFFFAOYSA-N 0 3 374.397 -0.320 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)NCCOCCN(C)C)C[C@H](C)O1 ZINC000521849946 484307473 /nfs/dbraw/zinc/30/74/73/484307473.db2.gz DFBBVYKWJOKLBR-GASCZTMLSA-N 0 3 358.483 -0.752 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NC[C@H](O)CN2CCC(C)CC2)cn1 ZINC000521852501 484306941 /nfs/dbraw/zinc/30/69/41/484306941.db2.gz MHKMTMXZALSUHF-HNNXBMFYSA-N 0 3 367.450 -0.323 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCC(C)CC2)cn1 ZINC000521852502 484307146 /nfs/dbraw/zinc/30/71/46/484307146.db2.gz MHKMTMXZALSUHF-OAHLLOKOSA-N 0 3 367.450 -0.323 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000521854016 484307797 /nfs/dbraw/zinc/30/77/97/484307797.db2.gz QGVGRFVEYOZOBB-INIZCTEOSA-N 0 3 369.510 -0.458 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000521854017 484307340 /nfs/dbraw/zinc/30/73/40/484307340.db2.gz QGVGRFVEYOZOBB-MRXNPFEDSA-N 0 3 369.510 -0.458 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000521856773 484307514 /nfs/dbraw/zinc/30/75/14/484307514.db2.gz HHCPDGDHPRAVFN-AWEZNQCLSA-N 0 3 364.450 -0.402 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000521856774 484307024 /nfs/dbraw/zinc/30/70/24/484307024.db2.gz HHCPDGDHPRAVFN-CQSZACIVSA-N 0 3 364.450 -0.402 20 0 FBADHN NC(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(F)(F)F ZINC000521868714 484307001 /nfs/dbraw/zinc/30/70/01/484307001.db2.gz LIWMEFYSVVAERL-GFCCVEGCSA-N 0 3 358.320 -0.236 20 0 FBADHN NC(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(F)(F)F ZINC000521868715 484306819 /nfs/dbraw/zinc/30/68/19/484306819.db2.gz LIWMEFYSVVAERL-LBPRGKRZSA-N 0 3 358.320 -0.236 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000521870350 484307292 /nfs/dbraw/zinc/30/72/92/484307292.db2.gz HKSHLTUBUTUEDE-BZPMIXESSA-N 0 3 355.460 -0.625 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000521870351 484307134 /nfs/dbraw/zinc/30/71/34/484307134.db2.gz HKSHLTUBUTUEDE-OUCADQQQSA-N 0 3 355.460 -0.625 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000521870352 484307089 /nfs/dbraw/zinc/30/70/89/484307089.db2.gz HKSHLTUBUTUEDE-SCRDCRAPSA-N 0 3 355.460 -0.625 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000521870353 484309377 /nfs/dbraw/zinc/30/93/77/484309377.db2.gz HKSHLTUBUTUEDE-YRGRVCCFSA-N 0 3 355.460 -0.625 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)CC(=O)NC[C@H]2CNCCN2C)cc1F ZINC000521876877 484309510 /nfs/dbraw/zinc/30/95/10/484309510.db2.gz AHHMESFLAXSRKF-GFCCVEGCSA-N 0 3 371.434 -0.178 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)CC(=O)NC[C@@H]2CNCCN2C)cc1F ZINC000521876878 484309120 /nfs/dbraw/zinc/30/91/20/484309120.db2.gz AHHMESFLAXSRKF-LBPRGKRZSA-N 0 3 371.434 -0.178 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000521894634 484308671 /nfs/dbraw/zinc/30/86/71/484308671.db2.gz VEDZNQIKJZLOCD-HNNXBMFYSA-N 0 3 352.435 -0.516 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000521894641 484309603 /nfs/dbraw/zinc/30/96/03/484309603.db2.gz VEDZNQIKJZLOCD-OAHLLOKOSA-N 0 3 352.435 -0.516 20 0 FBADHN O=C(CCN1CCC[C@]12CCNC2=O)N1CCN(c2ncccn2)CC1 ZINC000521894769 484081024 /nfs/dbraw/zinc/08/10/24/484081024.db2.gz WITWSGCQZIGWOV-GOSISDBHSA-N 0 3 358.446 -0.130 20 0 FBADHN O=C(CCN1CCC[C@@]12CCNC2=O)N1CCN(c2ncccn2)CC1 ZINC000521894770 484081297 /nfs/dbraw/zinc/08/12/97/484081297.db2.gz WITWSGCQZIGWOV-SFHVURJKSA-N 0 3 358.446 -0.130 20 0 FBADHN O=C(CCNS(=O)(=O)c1cccs1)NC[C@]1(O)CN2CCC1CC2 ZINC000521897482 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ZINC000522113023 484321044 /nfs/dbraw/zinc/32/10/44/484321044.db2.gz JKTZUDAVUUXHKN-CQSZACIVSA-N 0 3 364.402 -0.592 20 0 FBADHN COC(=O)C1CCN(S(=O)(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000522134929 484321371 /nfs/dbraw/zinc/32/13/71/484321371.db2.gz VCNVAVCTUSDGIF-UHFFFAOYSA-N 0 3 364.512 -0.459 20 0 FBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000522135046 484320460 /nfs/dbraw/zinc/32/04/60/484320460.db2.gz DTCDJTPZAZVXEJ-UHFFFAOYSA-N 0 3 367.479 -0.224 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)Nc2cnccc2N2CCN(C)CC2)C1=O ZINC000522173363 484322673 /nfs/dbraw/zinc/32/26/73/484322673.db2.gz VFCKMMZUTIOEFS-UHFFFAOYSA-N 0 3 360.374 -0.808 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522188605 484324178 /nfs/dbraw/zinc/32/41/78/484324178.db2.gz WLJOEIYSRLPWNL-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522188606 484324672 /nfs/dbraw/zinc/32/46/72/484324672.db2.gz WLJOEIYSRLPWNL-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522188607 484324965 /nfs/dbraw/zinc/32/49/65/484324965.db2.gz WLJOEIYSRLPWNL-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522188608 484324075 /nfs/dbraw/zinc/32/40/75/484324075.db2.gz WLJOEIYSRLPWNL-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)NCCN2CCC(C)CC2)cn1C ZINC000522241013 484326107 /nfs/dbraw/zinc/32/61/07/484326107.db2.gz FKXPUULXTHEPTF-UHFFFAOYSA-N 0 3 357.480 -0.145 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)S(C)(=O)=O ZINC000522251612 484325728 /nfs/dbraw/zinc/32/57/28/484325728.db2.gz PSHZNFRWNRYJTJ-UHFFFAOYSA-N 0 3 351.469 -0.390 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000522252158 484326504 /nfs/dbraw/zinc/32/65/04/484326504.db2.gz RWQVOCTTZQROLD-UHFFFAOYSA-N 0 3 354.407 -0.319 20 0 FBADHN CN(C)CCn1ccc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)n1 ZINC000522269514 484109080 /nfs/dbraw/zinc/10/90/80/484109080.db2.gz DXVFSUOHDKNBMU-UHFFFAOYSA-N 0 3 373.417 -0.414 20 0 FBADHN CN(C)CCn1ccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1 ZINC000522269925 484108199 /nfs/dbraw/zinc/10/81/99/484108199.db2.gz KQQXFFKRQZCIHB-UHFFFAOYSA-N 0 3 371.401 -0.357 20 0 FBADHN CN1CC(=O)N(CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1=O ZINC000522272855 484327178 /nfs/dbraw/zinc/32/71/78/484327178.db2.gz YBBQJBCSDBYVHB-UHFFFAOYSA-N 0 3 373.457 -0.056 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000522287140 484328030 /nfs/dbraw/zinc/32/80/30/484328030.db2.gz HOXNYQIPBIBCOC-HNNXBMFYSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000522287141 484327471 /nfs/dbraw/zinc/32/74/71/484327471.db2.gz HOXNYQIPBIBCOC-OAHLLOKOSA-N 0 3 369.510 -0.051 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCCS1(=O)=O ZINC000522288265 484327033 /nfs/dbraw/zinc/32/70/33/484327033.db2.gz SYVSSLYJIVJOGI-UHFFFAOYSA-N 0 3 363.480 -0.246 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000522288877 484328001 /nfs/dbraw/zinc/32/80/01/484328001.db2.gz UYSFNTWNLSVKGL-UHFFFAOYSA-N 0 3 356.423 -0.388 20 0 FBADHN CN(C)CCOC1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000522309965 484329911 /nfs/dbraw/zinc/32/99/11/484329911.db2.gz QSEHJSJYZUBVLT-UHFFFAOYSA-N 0 3 356.467 -0.013 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cn1C ZINC000522318928 484329001 /nfs/dbraw/zinc/32/90/01/484329001.db2.gz FZPFVPIACPQGQK-CYBMUJFWSA-N 0 3 357.480 -0.147 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cn1C ZINC000522318928 484328998 /nfs/dbraw/zinc/32/89/98/484328998.db2.gz FZPFVPIACPQGQK-CYBMUJFWSA-N 0 3 357.480 -0.147 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cn1C ZINC000522318929 484329893 /nfs/dbraw/zinc/32/98/93/484329893.db2.gz FZPFVPIACPQGQK-ZDUSSCGKSA-N 0 3 357.480 -0.147 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cn1C ZINC000522318929 484329885 /nfs/dbraw/zinc/32/98/85/484329885.db2.gz FZPFVPIACPQGQK-ZDUSSCGKSA-N 0 3 357.480 -0.147 20 0 FBADHN CCN(CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CC1 ZINC000522442259 484331372 /nfs/dbraw/zinc/33/13/72/484331372.db2.gz HYZDJLAEGRMNSD-UHFFFAOYSA-N 0 3 365.478 -0.053 20 0 FBADHN CCOC(=O)C[C@@H](C)S(=O)(=O)C(C)C(=O)N1CCN(C(C)=O)CC1 ZINC000522481823 484332251 /nfs/dbraw/zinc/33/22/51/484332251.db2.gz JYESILBXVFJCMM-NEPJUHHUSA-N 0 3 362.448 -0.178 20 0 FBADHN CCOC(=O)C[C@H](C)S(=O)(=O)C(C)C(=O)N1CCN(C(C)=O)CC1 ZINC000522481824 484332920 /nfs/dbraw/zinc/33/29/20/484332920.db2.gz JYESILBXVFJCMM-NWDGAFQWSA-N 0 3 362.448 -0.178 20 0 FBADHN CCOC(=O)C[C@H](C)S(=O)(=O)C(C)C(=O)N1CCN(C(C)=O)CC1 ZINC000522481825 484332100 /nfs/dbraw/zinc/33/21/00/484332100.db2.gz JYESILBXVFJCMM-RYUDHWBXSA-N 0 3 362.448 -0.178 20 0 FBADHN CCOC(=O)C[C@@H](C)S(=O)(=O)C(C)C(=O)N1CCN(C(C)=O)CC1 ZINC000522481826 484332466 /nfs/dbraw/zinc/33/24/66/484332466.db2.gz JYESILBXVFJCMM-VXGBXAGGSA-N 0 3 362.448 -0.178 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000522563649 484334509 /nfs/dbraw/zinc/33/45/09/484334509.db2.gz IIPMGNSRLHMKSC-CYBMUJFWSA-N 0 3 352.439 -0.811 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000522563650 484334248 /nfs/dbraw/zinc/33/42/48/484334248.db2.gz IIPMGNSRLHMKSC-ZDUSSCGKSA-N 0 3 352.439 -0.811 20 0 FBADHN CS(=O)(=O)NCCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000522709170 483475233 /nfs/dbraw/zinc/47/52/33/483475233.db2.gz DYBIVIFFCGSVCF-UHFFFAOYSA-N 0 3 369.491 -0.351 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)N(C)C)c2ccccc2O1 ZINC000522771037 483852463 /nfs/dbraw/zinc/85/24/63/483852463.db2.gz CBVRPCYBGXGPQF-GDBMZVCRSA-N 0 3 374.441 -0.017 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c2ccccc2O1 ZINC000522771038 483852503 /nfs/dbraw/zinc/85/25/03/483852503.db2.gz CBVRPCYBGXGPQF-GOEBONIOSA-N 0 3 374.441 -0.017 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c2ccccc2O1 ZINC000522771039 483852348 /nfs/dbraw/zinc/85/23/48/483852348.db2.gz CBVRPCYBGXGPQF-HOCLYGCPSA-N 0 3 374.441 -0.017 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)N(C)C)c2ccccc2O1 ZINC000522771040 483852414 /nfs/dbraw/zinc/85/24/14/483852414.db2.gz CBVRPCYBGXGPQF-ZBFHGGJFSA-N 0 3 374.441 -0.017 20 0 FBADHN COc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1OCC(N)=O ZINC000522771404 483853048 /nfs/dbraw/zinc/85/30/48/483853048.db2.gz WSIDSGKGIZWKGA-UHFFFAOYSA-N 0 3 364.402 -0.292 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000522772235 483852828 /nfs/dbraw/zinc/85/28/28/483852828.db2.gz RVYCRXXYTYXYTQ-UHFFFAOYSA-N 0 3 372.422 -0.018 20 0 FBADHN Cc1cc(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)n2ncnc2n1 ZINC000522850203 484336348 /nfs/dbraw/zinc/33/63/48/484336348.db2.gz KGUKHNSWYIHSRN-LLVKDONJSA-N 0 3 352.420 -0.486 20 0 FBADHN Cc1cc(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)n2ncnc2n1 ZINC000522850204 484336738 /nfs/dbraw/zinc/33/67/38/484336738.db2.gz KGUKHNSWYIHSRN-NSHDSACASA-N 0 3 352.420 -0.486 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1=O ZINC000522851722 484336711 /nfs/dbraw/zinc/33/67/11/484336711.db2.gz MOMVSXSXHVLSSN-GFCCVEGCSA-N 0 3 350.423 -0.680 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1=O ZINC000522851723 484336697 /nfs/dbraw/zinc/33/66/97/484336697.db2.gz MOMVSXSXHVLSSN-LBPRGKRZSA-N 0 3 350.423 -0.680 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000522853301 484337691 /nfs/dbraw/zinc/33/76/91/484337691.db2.gz DRWDIGYMOAIPSU-AWEZNQCLSA-N 0 3 355.435 -0.279 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000522853302 484337737 /nfs/dbraw/zinc/33/77/37/484337737.db2.gz DRWDIGYMOAIPSU-CQSZACIVSA-N 0 3 355.435 -0.279 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCC(O)CC1 ZINC000522856724 484337750 /nfs/dbraw/zinc/33/77/50/484337750.db2.gz ODWFXRYXMNUTFV-UHFFFAOYSA-N 0 3 371.459 -0.081 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000522891210 484338103 /nfs/dbraw/zinc/33/81/03/484338103.db2.gz CFSPYSBRDVQDKV-HNNXBMFYSA-N 0 3 366.462 -0.610 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000522891211 484337661 /nfs/dbraw/zinc/33/76/61/484337661.db2.gz CFSPYSBRDVQDKV-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC2([NH+](C)C)CCCC2)cn1C ZINC000522970715 484338964 /nfs/dbraw/zinc/33/89/64/484338964.db2.gz FBGNYLCZFVHRJD-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN COC(=O)C1CCN(S(=O)(=O)NCC2(N(C)C)CCOCC2)CC1 ZINC000522981479 484340911 /nfs/dbraw/zinc/34/09/11/484340911.db2.gz SOGXYTIKXVBGQE-UHFFFAOYSA-N 0 3 363.480 -0.183 20 0 FBADHN O=C(CCNC(=O)N1CCN(CC2CCOCC2)CC1)N1CCOCC1 ZINC000522987028 484341145 /nfs/dbraw/zinc/34/11/45/484341145.db2.gz FOYXZFDRRSCGSC-UHFFFAOYSA-N 0 3 368.478 -0.011 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000522991090 484341752 /nfs/dbraw/zinc/34/17/52/484341752.db2.gz XYQPNWYRYSNQEL-UHFFFAOYSA-N 0 3 362.496 -0.321 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H](C)[NH+]2CCCC2)cn1C ZINC000522991232 484341718 /nfs/dbraw/zinc/34/17/18/484341718.db2.gz WVACZJFYYNZWAQ-GFCCVEGCSA-N 0 3 357.480 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H](C)[NH+]2CCCC2)cn1C ZINC000522991233 484341635 /nfs/dbraw/zinc/34/16/35/484341635.db2.gz WVACZJFYYNZWAQ-LBPRGKRZSA-N 0 3 357.480 -0.003 20 0 FBADHN CN1CCN(CCCCNC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000523003517 484341528 /nfs/dbraw/zinc/34/15/28/484341528.db2.gz YMAQXGXRVKOAGQ-UHFFFAOYSA-N 0 3 368.526 -0.523 20 0 FBADHN CN1CCN(CCCCNC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000523003944 484340803 /nfs/dbraw/zinc/34/08/03/484340803.db2.gz MQVUQCQCROXDOJ-UHFFFAOYSA-N 0 3 361.512 -0.699 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(C)(=O)=O ZINC000523008606 484343219 /nfs/dbraw/zinc/34/32/19/484343219.db2.gz SZSWIJVZCVPIKV-UHFFFAOYSA-N 0 3 351.469 -0.342 20 0 FBADHN COC[C@H](C)NC(=O)NC(=O)CN1CCN(CC2CCOCC2)CC1 ZINC000523012276 484342525 /nfs/dbraw/zinc/34/25/25/484342525.db2.gz VKCVLHLBCCJNFW-AWEZNQCLSA-N 0 3 356.467 -0.109 20 0 FBADHN COC[C@@H](C)NC(=O)NC(=O)CN1CCN(CC2CCOCC2)CC1 ZINC000523012277 484342910 /nfs/dbraw/zinc/34/29/10/484342910.db2.gz VKCVLHLBCCJNFW-CQSZACIVSA-N 0 3 356.467 -0.109 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C1CC1 ZINC000523036814 484342328 /nfs/dbraw/zinc/34/23/28/484342328.db2.gz SQUDUMCBHGNVAY-CYBMUJFWSA-N 0 3 372.422 -0.132 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C1CC1 ZINC000523036815 484343110 /nfs/dbraw/zinc/34/31/10/484343110.db2.gz SQUDUMCBHGNVAY-ZDUSSCGKSA-N 0 3 372.422 -0.132 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000523038620 484343088 /nfs/dbraw/zinc/34/30/88/484343088.db2.gz AMHKUHXLXBKVRA-UHFFFAOYSA-N 0 3 361.406 -0.363 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCC1 ZINC000523049649 484342663 /nfs/dbraw/zinc/34/26/63/484342663.db2.gz KJHKNGAOAMCDEN-LLVKDONJSA-N 0 3 354.432 -0.127 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCC1 ZINC000523049650 484343956 /nfs/dbraw/zinc/34/39/56/484343956.db2.gz KJHKNGAOAMCDEN-NSHDSACASA-N 0 3 354.432 -0.127 20 0 FBADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000523056936 484344292 /nfs/dbraw/zinc/34/42/92/484344292.db2.gz NZLMBBJXMKYNKY-GFCCVEGCSA-N 0 3 361.402 -0.136 20 0 FBADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000523056937 484344245 /nfs/dbraw/zinc/34/42/45/484344245.db2.gz NZLMBBJXMKYNKY-LBPRGKRZSA-N 0 3 361.402 -0.136 20 0 FBADHN CN(C)CCn1ccc(NC(=O)CSCC(=O)N2CCOCC2)n1 ZINC000523063165 484103737 /nfs/dbraw/zinc/10/37/37/484103737.db2.gz VMZCZPNCPVNAFX-UHFFFAOYSA-N 0 3 355.464 -0.025 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c1 ZINC000523071771 484344614 /nfs/dbraw/zinc/34/46/14/484344614.db2.gz OXMYRYRLARPCET-UHFFFAOYSA-N 0 3 372.447 -0.640 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1 ZINC000523073101 484344194 /nfs/dbraw/zinc/34/41/94/484344194.db2.gz SQXOPJGYTQXSJS-UHFFFAOYSA-N 0 3 372.447 -0.640 20 0 FBADHN CN(C)CCN1CCC(NC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000523134811 484345974 /nfs/dbraw/zinc/34/59/74/484345974.db2.gz CNQZAUKOQRKMFY-UHFFFAOYSA-N 0 3 361.512 -0.653 20 0 FBADHN COCCN1CCC(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000523190377 484347895 /nfs/dbraw/zinc/34/78/95/484347895.db2.gz NVXDMOIOOAXLMT-AWEZNQCLSA-N 0 3 362.496 -0.180 20 0 FBADHN COCCN1CCC(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000523190378 484347335 /nfs/dbraw/zinc/34/73/35/484347335.db2.gz NVXDMOIOOAXLMT-CQSZACIVSA-N 0 3 362.496 -0.180 20 0 FBADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C(C)S(C)(=O)=O)C1 ZINC000523200279 484348025 /nfs/dbraw/zinc/34/80/25/484348025.db2.gz PEVSTJYOVLLLOT-NEPJUHHUSA-N 0 3 362.448 -0.320 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C(C)S(C)(=O)=O)C1 ZINC000523200280 484348235 /nfs/dbraw/zinc/34/82/35/484348235.db2.gz PEVSTJYOVLLLOT-NWDGAFQWSA-N 0 3 362.448 -0.320 20 0 FBADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C(C)S(C)(=O)=O)C1 ZINC000523200281 484347820 /nfs/dbraw/zinc/34/78/20/484347820.db2.gz PEVSTJYOVLLLOT-RYUDHWBXSA-N 0 3 362.448 -0.320 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C(C)S(C)(=O)=O)C1 ZINC000523200282 484347907 /nfs/dbraw/zinc/34/79/07/484347907.db2.gz PEVSTJYOVLLLOT-VXGBXAGGSA-N 0 3 362.448 -0.320 20 0 FBADHN CCN(CCNC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)C1CC1 ZINC000523208188 484348157 /nfs/dbraw/zinc/34/81/57/484348157.db2.gz ONNQBDQUFHTNFX-UHFFFAOYSA-N 0 3 353.467 -0.151 20 0 FBADHN COCCN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523208540 484348413 /nfs/dbraw/zinc/34/84/13/484348413.db2.gz BRPBDRKFNKNEOS-INIZCTEOSA-N 0 3 369.510 -0.097 20 0 FBADHN COCCN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523208541 484347042 /nfs/dbraw/zinc/34/70/42/484347042.db2.gz BRPBDRKFNKNEOS-MRXNPFEDSA-N 0 3 369.510 -0.097 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000523208882 484348123 /nfs/dbraw/zinc/34/81/23/484348123.db2.gz PHTSZFCKXAQYOI-CVEARBPZSA-N 0 3 369.510 -0.051 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000523208883 484347437 /nfs/dbraw/zinc/34/74/37/484347437.db2.gz PHTSZFCKXAQYOI-HOTGVXAUSA-N 0 3 369.510 -0.051 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523208884 484347573 /nfs/dbraw/zinc/34/75/73/484347573.db2.gz PHTSZFCKXAQYOI-HZPDHXFCSA-N 0 3 369.510 -0.051 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523208885 484347261 /nfs/dbraw/zinc/34/72/61/484347261.db2.gz PHTSZFCKXAQYOI-JKSUJKDBSA-N 0 3 369.510 -0.051 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(C(N)=O)CC1 ZINC000523208907 484347771 /nfs/dbraw/zinc/34/77/71/484347771.db2.gz QHWPBYAZQKUHKX-AWEZNQCLSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(C(N)=O)CC1 ZINC000523208908 484348104 /nfs/dbraw/zinc/34/81/04/484348104.db2.gz QHWPBYAZQKUHKX-CQSZACIVSA-N 0 3 353.467 -0.164 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NCCCN(C)CCOC)CC1 ZINC000523308811 484351527 /nfs/dbraw/zinc/35/15/27/484351527.db2.gz IQGKIZRBAKWVHV-UHFFFAOYSA-N 0 3 350.485 -0.368 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000523309385 484351181 /nfs/dbraw/zinc/35/11/81/484351181.db2.gz BMFLAHDCLSTDLT-UHFFFAOYSA-N 0 3 363.528 -0.359 20 0 FBADHN CN(C)CCn1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)n1 ZINC000523445136 483758254 /nfs/dbraw/zinc/75/82/54/483758254.db2.gz JVFOTDSNBOUERD-UHFFFAOYSA-N 0 3 355.424 -0.905 20 0 FBADHN CN(C)CCn1ccc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)n1 ZINC000523453618 484103321 /nfs/dbraw/zinc/10/33/21/484103321.db2.gz HEYWTVIPIHMODE-UHFFFAOYSA-N 0 3 374.405 -0.308 20 0 FBADHN NC(=O)Cn1cc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cn1 ZINC000523477358 484354587 /nfs/dbraw/zinc/35/45/87/484354587.db2.gz RHNPXTUVOWHQBU-UHFFFAOYSA-N 0 3 362.434 -0.216 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000523484241 484354112 /nfs/dbraw/zinc/35/41/12/484354112.db2.gz BZKLRIAPWPVVAY-UHFFFAOYSA-N 0 3 354.407 -0.169 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000523484247 484354738 /nfs/dbraw/zinc/35/47/38/484354738.db2.gz FJPLOIJODPANJE-UHFFFAOYSA-N 0 3 368.434 -0.721 20 0 FBADHN O=C(CNC(=O)c1ccccn1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000523562123 484356131 /nfs/dbraw/zinc/35/61/31/484356131.db2.gz UCVYQKYJGYBJTD-UHFFFAOYSA-N 0 3 359.430 -0.422 20 0 FBADHN CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C2CC2)C1 ZINC000523583980 484355268 /nfs/dbraw/zinc/35/52/68/484355268.db2.gz YVVJPQRPJNVRFJ-AAEUAGOBSA-N 0 3 358.464 -0.832 20 0 FBADHN CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C2CC2)C1 ZINC000523583981 484355829 /nfs/dbraw/zinc/35/58/29/484355829.db2.gz YVVJPQRPJNVRFJ-DGCLKSJQSA-N 0 3 358.464 -0.832 20 0 FBADHN CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C2CC2)C1 ZINC000523583982 659885397 /nfs/dbraw/zinc/88/53/97/659885397.db2.gz YVVJPQRPJNVRFJ-WCQYABFASA-N 0 3 358.464 -0.832 20 0 FBADHN CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C2CC2)C1 ZINC000523583983 659885579 /nfs/dbraw/zinc/88/55/79/659885579.db2.gz YVVJPQRPJNVRFJ-YPMHNXCESA-N 0 3 358.464 -0.832 20 0 FBADHN COCCN1CCC(NC(=O)NCCS(=O)(=O)NC(C)C)CC1 ZINC000523595079 484356557 /nfs/dbraw/zinc/35/65/57/484356557.db2.gz QLCCWCVXNGLFHH-UHFFFAOYSA-N 0 3 350.485 -0.276 20 0 FBADHN CN1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000523595325 484356206 /nfs/dbraw/zinc/35/62/06/484356206.db2.gz DJOZTPZLGVLFLB-AWEZNQCLSA-N 0 3 362.496 -0.132 20 0 FBADHN CN1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000523595326 484356379 /nfs/dbraw/zinc/35/63/79/484356379.db2.gz DJOZTPZLGVLFLB-CQSZACIVSA-N 0 3 362.496 -0.132 20 0 FBADHN CCCNC(=O)CN1CCC(NC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000523600909 484355789 /nfs/dbraw/zinc/35/57/89/484355789.db2.gz LNGIEWULXAILEA-INIZCTEOSA-N 0 3 368.526 -0.478 20 0 FBADHN CCCNC(=O)CN1CCC(NC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000523600910 484356510 /nfs/dbraw/zinc/35/65/10/484356510.db2.gz LNGIEWULXAILEA-MRXNPFEDSA-N 0 3 368.526 -0.478 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000523603050 484355729 /nfs/dbraw/zinc/35/57/29/484355729.db2.gz AMHUUYKSMVCUNY-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000523603051 484356016 /nfs/dbraw/zinc/35/60/16/484356016.db2.gz AMHUUYKSMVCUNY-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCNC(=O)C1CC1 ZINC000523625862 484357897 /nfs/dbraw/zinc/35/78/97/484357897.db2.gz YMCVIXUUEGVFRR-AWEZNQCLSA-N 0 3 353.467 -0.246 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCNC(=O)C1CC1 ZINC000523625863 484356889 /nfs/dbraw/zinc/35/68/89/484356889.db2.gz YMCVIXUUEGVFRR-CQSZACIVSA-N 0 3 353.467 -0.246 20 0 FBADHN CCN(CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1CC1 ZINC000523626823 484357284 /nfs/dbraw/zinc/35/72/84/484357284.db2.gz SFYLPVJWLQRVGN-UHFFFAOYSA-N 0 3 367.494 -0.343 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCN1CCOCC1 ZINC000523630188 484356957 /nfs/dbraw/zinc/35/69/57/484356957.db2.gz JNEPTJUJDGVDRM-INIZCTEOSA-N 0 3 369.510 -0.049 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCN1CCOCC1 ZINC000523630189 484358032 /nfs/dbraw/zinc/35/80/32/484358032.db2.gz JNEPTJUJDGVDRM-MRXNPFEDSA-N 0 3 369.510 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C)CC[C@H]2C)cn1C ZINC000523662211 484357375 /nfs/dbraw/zinc/35/73/75/484357375.db2.gz BPXPMAQFQIXYIB-GFCCVEGCSA-N 0 3 357.480 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C)CC[C@@H]2C)cn1C ZINC000523662212 484357423 /nfs/dbraw/zinc/35/74/23/484357423.db2.gz BPXPMAQFQIXYIB-LBPRGKRZSA-N 0 3 357.480 -0.050 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000523662235 484357829 /nfs/dbraw/zinc/35/78/29/484357829.db2.gz LCRZPAUPQDXNGV-GFCCVEGCSA-N 0 3 362.434 -0.624 20 0 FBADHN C[C@H]1CCN(C)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000523662236 484357515 /nfs/dbraw/zinc/35/75/15/484357515.db2.gz LCRZPAUPQDXNGV-LBPRGKRZSA-N 0 3 362.434 -0.624 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1=O ZINC000523687580 484359013 /nfs/dbraw/zinc/35/90/13/484359013.db2.gz RAYOVQGRRNFRAX-AWEZNQCLSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1=O ZINC000523687581 484358659 /nfs/dbraw/zinc/35/86/59/484358659.db2.gz RAYOVQGRRNFRAX-CQSZACIVSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)CN1CCN(C)CC1 ZINC000523700083 484359591 /nfs/dbraw/zinc/35/95/91/484359591.db2.gz WQBCLPKUGGKVRY-CYBMUJFWSA-N 0 3 371.507 -0.122 20 0 FBADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)CN1CCN(C)CC1 ZINC000523700084 484359783 /nfs/dbraw/zinc/35/97/83/484359783.db2.gz WQBCLPKUGGKVRY-ZDUSSCGKSA-N 0 3 371.507 -0.122 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000523703153 484359795 /nfs/dbraw/zinc/35/97/95/484359795.db2.gz ICICONIKVSJSGI-UHFFFAOYSA-N 0 3 357.480 -0.416 20 0 FBADHN CN(C)CCN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000523703354 484359680 /nfs/dbraw/zinc/35/96/80/484359680.db2.gz PJXPRXBJPTXKLX-UHFFFAOYSA-N 0 3 354.476 -0.418 20 0 FBADHN CN(C)CCN1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000523703477 484358697 /nfs/dbraw/zinc/35/86/97/484358697.db2.gz CANQBBDPJHWDSA-UHFFFAOYSA-N 0 3 360.524 -0.102 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000523739315 484360400 /nfs/dbraw/zinc/36/04/00/484360400.db2.gz LONHPQLXXINYAW-GFCCVEGCSA-N 0 3 362.434 -0.766 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000523739316 484361225 /nfs/dbraw/zinc/36/12/25/484361225.db2.gz LONHPQLXXINYAW-LBPRGKRZSA-N 0 3 362.434 -0.766 20 0 FBADHN CCOC(=O)CCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000523792742 484361119 /nfs/dbraw/zinc/36/11/19/484361119.db2.gz OLFFWPPJFVEXKL-UHFFFAOYSA-N 0 3 361.464 -0.491 20 0 FBADHN CCOC(=O)CCS(=O)(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000523794116 484361256 /nfs/dbraw/zinc/36/12/56/484361256.db2.gz RQLGXVDVVFUVGJ-UHFFFAOYSA-N 0 3 363.480 -0.245 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000523869436 484362328 /nfs/dbraw/zinc/36/23/28/484362328.db2.gz CRLYLMRHEFOLNP-FVRSWCFKSA-N 0 3 366.462 -0.036 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000523869437 484361782 /nfs/dbraw/zinc/36/17/82/484361782.db2.gz CRLYLMRHEFOLNP-TXKKKEFDSA-N 0 3 366.462 -0.036 20 0 FBADHN CC[N@@H+](CCNC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C1CC1 ZINC000523900577 484363981 /nfs/dbraw/zinc/36/39/81/484363981.db2.gz SLVZWXPEKSEVCK-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN CC[N@H+](CCNC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C1CC1 ZINC000523900577 484363976 /nfs/dbraw/zinc/36/39/76/484363976.db2.gz SLVZWXPEKSEVCK-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN CCN(CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000523914706 484363840 /nfs/dbraw/zinc/36/38/40/484363840.db2.gz LIEHDCBVYSPCJB-UHFFFAOYSA-N 0 3 351.451 -0.397 20 0 FBADHN CCN(CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CC1 ZINC000523918834 484363357 /nfs/dbraw/zinc/36/33/57/484363357.db2.gz UMTYDVMHFRQOQG-UHFFFAOYSA-N 0 3 350.427 -0.989 20 0 FBADHN NC(=O)CN(CC(N)=O)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000523971580 484363189 /nfs/dbraw/zinc/36/31/89/484363189.db2.gz 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ZINC000524033177 484366070 /nfs/dbraw/zinc/36/60/70/484366070.db2.gz IFPXHNYMUSWURY-CJNGLKHVSA-N 0 3 374.441 -0.015 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCN(C)C2)c2ccccc2O1 ZINC000524033178 484367088 /nfs/dbraw/zinc/36/70/88/484367088.db2.gz IFPXHNYMUSWURY-CZUORRHYSA-N 0 3 374.441 -0.015 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN(C)C2)c2ccccc2O1 ZINC000524033179 484366646 /nfs/dbraw/zinc/36/66/46/484366646.db2.gz IFPXHNYMUSWURY-XJKSGUPXSA-N 0 3 374.441 -0.015 20 0 FBADHN COCCN(C)CCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000524036385 484366547 /nfs/dbraw/zinc/36/65/47/484366547.db2.gz XNUGYQJILZDTKY-UHFFFAOYSA-N 0 3 350.485 -0.370 20 0 FBADHN COCCN(C)CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000524037295 484366953 /nfs/dbraw/zinc/36/69/53/484366953.db2.gz QYHZSNSXROUCQO-UHFFFAOYSA-N 0 3 369.466 -0.959 20 0 FBADHN Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCN3CCC(O)CC3)cnc21 ZINC000524059852 484367109 /nfs/dbraw/zinc/36/71/09/484367109.db2.gz BOLRPWVQYBCGHJ-UHFFFAOYSA-N 0 3 361.402 -0.389 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ZINC000524138929 484367819 /nfs/dbraw/zinc/36/78/19/484367819.db2.gz KUGNNQFIGYUNKP-OAHLLOKOSA-N 0 3 369.510 -0.194 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC000524147585 484367936 /nfs/dbraw/zinc/36/79/36/484367936.db2.gz XNGZEMNDHMHAGN-UHFFFAOYSA-N 0 3 361.446 -0.176 20 0 FBADHN O=C(CCCN1C(=O)CCC1=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000524151310 484367526 /nfs/dbraw/zinc/36/75/26/484367526.db2.gz FNPAMPOFVQAGCK-UHFFFAOYSA-N 0 3 364.446 -0.318 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)Cn2cccnc2=O)c1 ZINC000524173453 484368144 /nfs/dbraw/zinc/36/81/44/484368144.db2.gz AOZHCRNSQWGPER-UHFFFAOYSA-N 0 3 357.414 -0.149 20 0 FBADHN COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000524181037 484368273 /nfs/dbraw/zinc/36/82/73/484368273.db2.gz YIQAOTSFBUDLAI-GFCCVEGCSA-N 0 3 357.382 -0.172 20 0 FBADHN COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000524181038 484368157 /nfs/dbraw/zinc/36/81/57/484368157.db2.gz YIQAOTSFBUDLAI-LBPRGKRZSA-N 0 3 357.382 -0.172 20 0 FBADHN 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ZINC000524371571 484370702 /nfs/dbraw/zinc/37/07/02/484370702.db2.gz WLOSHADKIRUGRO-HNAYVOBHSA-N 0 3 361.442 -0.013 20 0 FBADHN C[C@H](NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000524371572 484370783 /nfs/dbraw/zinc/37/07/83/484370783.db2.gz WLOSHADKIRUGRO-KXBFYZLASA-N 0 3 361.442 -0.013 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000524391523 484372491 /nfs/dbraw/zinc/37/24/91/484372491.db2.gz OUKBLXHXYAAWIO-FQEVSTJZSA-N 0 3 374.485 -0.050 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000524391524 484373076 /nfs/dbraw/zinc/37/30/76/484373076.db2.gz OUKBLXHXYAAWIO-HXUWFJFHSA-N 0 3 374.485 -0.050 20 0 FBADHN COCC(=O)N1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000524394182 484373442 /nfs/dbraw/zinc/37/34/42/484373442.db2.gz SDTWXGSSSPTGRM-IBGZPJMESA-N 0 3 361.442 -0.059 20 0 FBADHN COCC(=O)N1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000524394183 484373357 /nfs/dbraw/zinc/37/33/57/484373357.db2.gz SDTWXGSSSPTGRM-LJQANCHMSA-N 0 3 361.442 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ZINC000524408802 484372848 /nfs/dbraw/zinc/37/28/48/484372848.db2.gz QPTBOFYKVLNANI-KFWWJZLASA-N 0 3 363.462 -0.053 20 0 FBADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCc2c(C)[n-][nH]c2=O)CC1=O ZINC000524408803 484372665 /nfs/dbraw/zinc/37/26/65/484372665.db2.gz QPTBOFYKVLNANI-RBSFLKMASA-N 0 3 363.462 -0.053 20 0 FBADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCc2c(C)[n-][nH]c2=O)CC1=O ZINC000524408803 484372659 /nfs/dbraw/zinc/37/26/59/484372659.db2.gz QPTBOFYKVLNANI-RBSFLKMASA-N 0 3 363.462 -0.053 20 0 FBADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2c(C)[n-][nH]c2=O)CC1=O ZINC000524408804 484372784 /nfs/dbraw/zinc/37/27/84/484372784.db2.gz QPTBOFYKVLNANI-RRFJBIMHSA-N 0 3 363.462 -0.053 20 0 FBADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2c(C)[n-][nH]c2=O)CC1=O ZINC000524408804 484372780 /nfs/dbraw/zinc/37/27/80/484372780.db2.gz QPTBOFYKVLNANI-RRFJBIMHSA-N 0 3 363.462 -0.053 20 0 FBADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2c(C)[n-][nH]c2=O)CC1=O ZINC000524408805 484372644 /nfs/dbraw/zinc/37/26/44/484372644.db2.gz QPTBOFYKVLNANI-ZNMIVQPWSA-N 0 3 363.462 -0.053 20 0 FBADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCc2c(C)[n-][nH]c2=O)CC1=O ZINC000524408805 484372638 /nfs/dbraw/zinc/37/26/38/484372638.db2.gz QPTBOFYKVLNANI-ZNMIVQPWSA-N 0 3 363.462 -0.053 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCN1C(=O)CCC1=O ZINC000524418945 484374049 /nfs/dbraw/zinc/37/40/49/484374049.db2.gz OCJBPXJOPZZKEF-AWEZNQCLSA-N 0 3 366.462 -0.026 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCN1C(=O)CCC1=O ZINC000524418946 484374384 /nfs/dbraw/zinc/37/43/84/484374384.db2.gz OCJBPXJOPZZKEF-CQSZACIVSA-N 0 3 366.462 -0.026 20 0 FBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000524419546 484374116 /nfs/dbraw/zinc/37/41/16/484374116.db2.gz PSYBDCPMHNCFQA-AWEZNQCLSA-N 0 3 362.430 -0.174 20 0 FBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000524419546 484374112 /nfs/dbraw/zinc/37/41/12/484374112.db2.gz PSYBDCPMHNCFQA-AWEZNQCLSA-N 0 3 362.430 -0.174 20 0 FBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000524419547 484374135 /nfs/dbraw/zinc/37/41/35/484374135.db2.gz PSYBDCPMHNCFQA-CQSZACIVSA-N 0 3 362.430 -0.174 20 0 FBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000524419547 484374131 /nfs/dbraw/zinc/37/41/31/484374131.db2.gz PSYBDCPMHNCFQA-CQSZACIVSA-N 0 3 362.430 -0.174 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000524516694 484376280 /nfs/dbraw/zinc/37/62/80/484376280.db2.gz GKIXNDZRXLRBKH-CVEARBPZSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000524516695 484375568 /nfs/dbraw/zinc/37/55/68/484375568.db2.gz GKIXNDZRXLRBKH-HOTGVXAUSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000524516696 484376129 /nfs/dbraw/zinc/37/61/29/484376129.db2.gz GKIXNDZRXLRBKH-HZPDHXFCSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000524516697 484375809 /nfs/dbraw/zinc/37/58/09/484375809.db2.gz GKIXNDZRXLRBKH-JKSUJKDBSA-N 0 3 367.494 -0.345 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000524518666 484375730 /nfs/dbraw/zinc/37/57/30/484375730.db2.gz NHMHZNOHDDDJRA-UHFFFAOYSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCN1CC[C@H](NC(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000524589937 484378297 /nfs/dbraw/zinc/37/82/97/484378297.db2.gz PAWWBOKMYQPKKB-HNNXBMFYSA-N 0 3 350.467 -0.032 20 0 FBADHN COCCN1CC[C@@H](NC(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000524589938 484378328 /nfs/dbraw/zinc/37/83/28/484378328.db2.gz PAWWBOKMYQPKKB-OAHLLOKOSA-N 0 3 350.467 -0.032 20 0 FBADHN CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000524590710 484377606 /nfs/dbraw/zinc/37/76/06/484377606.db2.gz NDDOZPIAZFHMTL-HNNXBMFYSA-N 0 3 366.462 -0.610 20 0 FBADHN CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000524590715 484377885 /nfs/dbraw/zinc/37/78/85/484377885.db2.gz NDDOZPIAZFHMTL-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CCOC[C@@H]2C)CC1 ZINC000524600120 484379293 /nfs/dbraw/zinc/37/92/93/484379293.db2.gz FDVPJIJNJQOUIX-INIZCTEOSA-N 0 3 369.510 -0.097 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CCOC[C@H]2C)CC1 ZINC000524600122 484379365 /nfs/dbraw/zinc/37/93/65/484379365.db2.gz FDVPJIJNJQOUIX-MRXNPFEDSA-N 0 3 369.510 -0.097 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000524650938 484378747 /nfs/dbraw/zinc/37/87/47/484378747.db2.gz FFLSKXAGLBQNLH-GFCCVEGCSA-N 0 3 362.434 -0.490 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000524650939 484379228 /nfs/dbraw/zinc/37/92/28/484379228.db2.gz FFLSKXAGLBQNLH-LBPRGKRZSA-N 0 3 362.434 -0.490 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C(N)=O)cn2)cn1 ZINC000524651057 484379143 /nfs/dbraw/zinc/37/91/43/484379143.db2.gz HDAKWMGJAAXXBN-UHFFFAOYSA-N 0 3 359.390 -0.693 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C(N)=O)nc2)cn1 ZINC000524651374 484378793 /nfs/dbraw/zinc/37/87/93/484378793.db2.gz PBVVONFDUFSBNQ-UHFFFAOYSA-N 0 3 359.390 -0.693 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)cn1 ZINC000524651470 484379970 /nfs/dbraw/zinc/37/99/70/484379970.db2.gz RFQYNVANWHEUGQ-UHFFFAOYSA-N 0 3 356.390 -0.144 20 0 FBADHN COC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)nc1 ZINC000524652212 484378921 /nfs/dbraw/zinc/37/89/21/484378921.db2.gz IGOOBIDRVCVXCG-UHFFFAOYSA-N 0 3 374.401 -0.005 20 0 FBADHN CC(=O)N1CCC[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000524652521 484379101 /nfs/dbraw/zinc/37/91/01/484379101.db2.gz QCNADJBHESUSEY-AWEZNQCLSA-N 0 3 364.450 -0.242 20 0 FBADHN CC(=O)N1CCC[C@@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000524652522 484379857 /nfs/dbraw/zinc/37/98/57/484379857.db2.gz QCNADJBHESUSEY-CQSZACIVSA-N 0 3 364.450 -0.242 20 0 FBADHN CNC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cn1 ZINC000524653300 484378777 /nfs/dbraw/zinc/37/87/77/484378777.db2.gz SLWHCUQYXJIQOK-UHFFFAOYSA-N 0 3 373.417 -0.432 20 0 FBADHN CNC(=O)c1cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cn1C ZINC000524709700 484381655 /nfs/dbraw/zinc/38/16/55/484381655.db2.gz XFYUTICTDAOZPD-UHFFFAOYSA-N 0 3 359.496 -0.501 20 0 FBADHN O=C(CN1CCC(=O)NC1=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524715479 484383348 /nfs/dbraw/zinc/38/33/48/484383348.db2.gz KMMAICCZXBLJIZ-GOSISDBHSA-N 0 3 360.414 -0.319 20 0 FBADHN O=C(CN1CCC(=O)NC1=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524715480 484382184 /nfs/dbraw/zinc/38/21/84/484382184.db2.gz KMMAICCZXBLJIZ-SFHVURJKSA-N 0 3 360.414 -0.319 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000524721063 484382719 /nfs/dbraw/zinc/38/27/19/484382719.db2.gz FLQPSQSZZNBQCU-HZSPNIEDSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000524721064 484382064 /nfs/dbraw/zinc/38/20/64/484382064.db2.gz FLQPSQSZZNBQCU-MCIONIFRSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000524721065 484382780 /nfs/dbraw/zinc/38/27/80/484382780.db2.gz FLQPSQSZZNBQCU-MGPQQGTHSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000524721066 484383101 /nfs/dbraw/zinc/38/31/01/484383101.db2.gz FLQPSQSZZNBQCU-RDBSUJKOSA-N 0 3 357.476 -0.520 20 0 FBADHN CC(C)N1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000524771816 484392503 /nfs/dbraw/zinc/39/25/03/484392503.db2.gz ADXNCWNPWGJOJI-UHFFFAOYSA-N 0 3 361.446 -0.019 20 0 FBADHN CN(C)CCn1ccc(NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)n1 ZINC000524773007 483757841 /nfs/dbraw/zinc/75/78/41/483757841.db2.gz VLVRLBLESYUNET-UHFFFAOYSA-N 0 3 373.417 -0.565 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cn1C ZINC000524775598 484394820 /nfs/dbraw/zinc/39/48/20/484394820.db2.gz QOMQTRQAILQTHA-GFCCVEGCSA-N 0 3 357.480 -0.145 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[N@H+]2CC[C@@H](C)C2)cn1C ZINC000524775598 484394813 /nfs/dbraw/zinc/39/48/13/484394813.db2.gz QOMQTRQAILQTHA-GFCCVEGCSA-N 0 3 357.480 -0.145 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[N@@H+]2CC[C@H](C)C2)cn1C ZINC000524775600 484394541 /nfs/dbraw/zinc/39/45/41/484394541.db2.gz QOMQTRQAILQTHA-LBPRGKRZSA-N 0 3 357.480 -0.145 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[N@H+]2CC[C@H](C)C2)cn1C ZINC000524775600 484394530 /nfs/dbraw/zinc/39/45/30/484394530.db2.gz QOMQTRQAILQTHA-LBPRGKRZSA-N 0 3 357.480 -0.145 20 0 FBADHN COCCN(C)CCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000524781449 484394459 /nfs/dbraw/zinc/39/44/59/484394459.db2.gz VKVWLZVMPXBVFH-AWEZNQCLSA-N 0 3 355.483 -0.441 20 0 FBADHN COCCN(C)CCNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000524781450 484395010 /nfs/dbraw/zinc/39/50/10/484395010.db2.gz VKVWLZVMPXBVFH-CQSZACIVSA-N 0 3 355.483 -0.441 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000524786110 484394671 /nfs/dbraw/zinc/39/46/71/484394671.db2.gz JPMILJJSOYEQSN-HNNXBMFYSA-N 0 3 353.467 -0.149 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000524786111 484394086 /nfs/dbraw/zinc/39/40/86/484394086.db2.gz JPMILJJSOYEQSN-OAHLLOKOSA-N 0 3 353.467 -0.149 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)NCCNC(=O)c1cccnc1 ZINC000524903331 484397481 /nfs/dbraw/zinc/39/74/81/484397481.db2.gz JVJFOFFUOGUNTO-UHFFFAOYSA-N 0 3 350.467 -0.054 20 0 FBADHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000524915425 484397204 /nfs/dbraw/zinc/39/72/04/484397204.db2.gz UMTQIAPBRVDAKJ-UHFFFAOYSA-N 0 3 358.402 -0.221 20 0 FBADHN CN(CCc1ccccn1)C(=O)CNC(=O)NCC1(O)CCN(C)CC1 ZINC000524931448 484396589 /nfs/dbraw/zinc/39/65/89/484396589.db2.gz IODHVLFPYZPJHH-UHFFFAOYSA-N 0 3 363.462 -0.162 20 0 FBADHN CN1CCC(O)(CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000524935289 484396984 /nfs/dbraw/zinc/39/69/84/484396984.db2.gz AMZSTCAQOSSGPC-UHFFFAOYSA-N 0 3 370.475 -0.368 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC1 ZINC000524942295 484397133 /nfs/dbraw/zinc/39/71/33/484397133.db2.gz HQAHAOVMIVVDTM-KRWDZBQOSA-N 0 3 370.494 -0.214 20 0 FBADHN COCCCN(C)CCNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000525090703 484398675 /nfs/dbraw/zinc/39/86/75/484398675.db2.gz GGDOJRMZELCYQA-UHFFFAOYSA-N 0 3 365.434 -0.726 20 0 FBADHN COCCCN(C)CCNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000525091149 484399136 /nfs/dbraw/zinc/39/91/36/484399136.db2.gz RATYAVAJDQVPJV-UHFFFAOYSA-N 0 3 366.422 -0.621 20 0 FBADHN CCCS(=O)(=O)CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000525101688 484398952 /nfs/dbraw/zinc/39/89/52/484398952.db2.gz DEFHBVBTYKMBII-UHFFFAOYSA-N 0 3 359.452 -0.676 20 0 FBADHN CC(=O)N1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000525101957 484400401 /nfs/dbraw/zinc/40/04/01/484400401.db2.gz CJUDPXCCUGLWFY-AWEZNQCLSA-N 0 3 350.423 -0.490 20 0 FBADHN CC(=O)N1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000525101961 484400538 /nfs/dbraw/zinc/40/05/38/484400538.db2.gz CJUDPXCCUGLWFY-CQSZACIVSA-N 0 3 350.423 -0.490 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)COC[C@@H]2CCCO2)cn1 ZINC000525102230 484400772 /nfs/dbraw/zinc/40/07/72/484400772.db2.gz KMNSKEDLXMWWSU-AWEZNQCLSA-N 0 3 353.423 -0.305 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)COC[C@H]2CCCO2)cn1 ZINC000525102231 484399855 /nfs/dbraw/zinc/39/98/55/484399855.db2.gz KMNSKEDLXMWWSU-CQSZACIVSA-N 0 3 353.423 -0.305 20 0 FBADHN CC(=O)N[C@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C(C)C ZINC000525103395 484400005 /nfs/dbraw/zinc/40/00/05/484400005.db2.gz COKOJFKDIHQMDR-HNNXBMFYSA-N 0 3 352.439 -0.340 20 0 FBADHN CC(=O)N[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C(C)C ZINC000525103396 484400726 /nfs/dbraw/zinc/40/07/26/484400726.db2.gz COKOJFKDIHQMDR-OAHLLOKOSA-N 0 3 352.439 -0.340 20 0 FBADHN C[C@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)N1C(=O)CCC1=O ZINC000525105130 484400120 /nfs/dbraw/zinc/40/01/20/484400120.db2.gz LQLLVWJIKXPUGE-LLVKDONJSA-N 0 3 364.406 -0.963 20 0 FBADHN C[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)N1C(=O)CCC1=O ZINC000525105131 484400415 /nfs/dbraw/zinc/40/04/15/484400415.db2.gz LQLLVWJIKXPUGE-NSHDSACASA-N 0 3 364.406 -0.963 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000525119643 484400579 /nfs/dbraw/zinc/40/05/79/484400579.db2.gz VVJASXPQLWADGP-CYBMUJFWSA-N 0 3 363.480 -0.198 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000525119644 484399933 /nfs/dbraw/zinc/39/99/33/484399933.db2.gz VVJASXPQLWADGP-ZDUSSCGKSA-N 0 3 363.480 -0.198 20 0 FBADHN C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000525178550 484401159 /nfs/dbraw/zinc/40/11/59/484401159.db2.gz KJEOSBVQMIZZHR-UHFFFAOYSA-N 0 3 355.395 -0.185 20 0 FBADHN CN(C)C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000525179010 484401332 /nfs/dbraw/zinc/40/13/32/484401332.db2.gz PVWZIMRTIXTLIZ-LLVKDONJSA-N 0 3 371.463 -0.665 20 0 FBADHN CN(C)C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000525179011 484401525 /nfs/dbraw/zinc/40/15/25/484401525.db2.gz PVWZIMRTIXTLIZ-NSHDSACASA-N 0 3 371.463 -0.665 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(CC(N)=O)nn1 ZINC000525196500 484401552 /nfs/dbraw/zinc/40/15/52/484401552.db2.gz PVOSRYLRBDTSMO-UHFFFAOYSA-N 0 3 354.411 -0.891 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C(N)=O)s2)cn1 ZINC000525246338 484401294 /nfs/dbraw/zinc/40/12/94/484401294.db2.gz DENCHTGDNMFSHG-UHFFFAOYSA-N 0 3 364.431 -0.026 20 0 FBADHN CS(=O)(=O)NCCC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000525263795 484403311 /nfs/dbraw/zinc/40/33/11/484403311.db2.gz QXFGQBWALRNQON-INIZCTEOSA-N 0 3 355.460 -0.321 20 0 FBADHN CS(=O)(=O)NCCC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000525263796 484402831 /nfs/dbraw/zinc/40/28/31/484402831.db2.gz QXFGQBWALRNQON-MRXNPFEDSA-N 0 3 355.460 -0.321 20 0 FBADHN CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@@H]1CCN(C2CC2)C1 ZINC000525288435 484403639 /nfs/dbraw/zinc/40/36/39/484403639.db2.gz CKCDANIZNKVFNU-CYBMUJFWSA-N 0 3 359.430 -0.266 20 0 FBADHN CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@H]1CCN(C2CC2)C1 ZINC000525288436 484402622 /nfs/dbraw/zinc/40/26/22/484402622.db2.gz CKCDANIZNKVFNU-ZDUSSCGKSA-N 0 3 359.430 -0.266 20 0 FBADHN CN(C)C[C@H]1CCCCN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000525288577 484403260 /nfs/dbraw/zinc/40/32/60/484403260.db2.gz MKTWZXXYWNUOLY-CYBMUJFWSA-N 0 3 361.446 -0.019 20 0 FBADHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000525288578 484402990 /nfs/dbraw/zinc/40/29/90/484402990.db2.gz MKTWZXXYWNUOLY-ZDUSSCGKSA-N 0 3 361.446 -0.019 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000525288579 484402522 /nfs/dbraw/zinc/40/25/22/484402522.db2.gz NFJHPEUESVJDAI-UHFFFAOYSA-N 0 3 361.446 -0.161 20 0 FBADHN CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@H]1CN2CCC1CC2 ZINC000525288634 484403358 /nfs/dbraw/zinc/40/33/58/484403358.db2.gz FYUAOUKZVUPYEO-AWEZNQCLSA-N 0 3 359.430 -0.409 20 0 FBADHN CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@@H]1CN2CCC1CC2 ZINC000525288635 484403701 /nfs/dbraw/zinc/40/37/01/484403701.db2.gz FYUAOUKZVUPYEO-CQSZACIVSA-N 0 3 359.430 -0.409 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000525288745 484403166 /nfs/dbraw/zinc/40/31/66/484403166.db2.gz NVIVDTVTBPCCOW-CYBMUJFWSA-N 0 3 361.446 -0.161 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000525288746 484402884 /nfs/dbraw/zinc/40/28/84/484402884.db2.gz NVIVDTVTBPCCOW-ZDUSSCGKSA-N 0 3 361.446 -0.161 20 0 FBADHN C[C@@H](CNC(=O)N(C)CC(=O)N1CCOCC1)CN1CCN(C)CC1 ZINC000525305913 484404294 /nfs/dbraw/zinc/40/42/94/484404294.db2.gz ZJAPEPBWEUCXFY-HNNXBMFYSA-N 0 3 355.483 -0.630 20 0 FBADHN C[C@H](CNC(=O)N(C)CC(=O)N1CCOCC1)CN1CCN(C)CC1 ZINC000525305914 484404551 /nfs/dbraw/zinc/40/45/51/484404551.db2.gz ZJAPEPBWEUCXFY-OAHLLOKOSA-N 0 3 355.483 -0.630 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000525322685 484405291 /nfs/dbraw/zinc/40/52/91/484405291.db2.gz QAWKUBAPCHAHNW-UHFFFAOYSA-N 0 3 369.443 -0.178 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C(N)=O ZINC000525334677 484404535 /nfs/dbraw/zinc/40/45/35/484404535.db2.gz HIPJIXJHSXYNMJ-IOASZLSFSA-N 0 3 368.478 -0.286 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)C(N)=O ZINC000525334678 484405200 /nfs/dbraw/zinc/40/52/00/484405200.db2.gz HIPJIXJHSXYNMJ-XEZPLFJOSA-N 0 3 368.478 -0.286 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C(N)=O ZINC000525334679 484404128 /nfs/dbraw/zinc/40/41/28/484404128.db2.gz HIPJIXJHSXYNMJ-ZENOOKHLSA-N 0 3 368.478 -0.286 20 0 FBADHN CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000525379680 484406319 /nfs/dbraw/zinc/40/63/19/484406319.db2.gz KHRGEVJEJUTZAN-KBPBESRZSA-N 0 3 359.492 -0.178 20 0 FBADHN CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000525379681 484406219 /nfs/dbraw/zinc/40/62/19/484406219.db2.gz KHRGEVJEJUTZAN-KGLIPLIRSA-N 0 3 359.492 -0.178 20 0 FBADHN CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000525379682 484406038 /nfs/dbraw/zinc/40/60/38/484406038.db2.gz KHRGEVJEJUTZAN-UONOGXRCSA-N 0 3 359.492 -0.178 20 0 FBADHN CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000525379683 484406147 /nfs/dbraw/zinc/40/61/47/484406147.db2.gz KHRGEVJEJUTZAN-ZIAGYGMSSA-N 0 3 359.492 -0.178 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000525391206 484406748 /nfs/dbraw/zinc/40/67/48/484406748.db2.gz RUPJZEZHYNAYQH-HNNXBMFYSA-N 0 3 373.519 -0.213 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000525391207 484406607 /nfs/dbraw/zinc/40/66/07/484406607.db2.gz RUPJZEZHYNAYQH-OAHLLOKOSA-N 0 3 373.519 -0.213 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000525446887 483498084 /nfs/dbraw/zinc/49/80/84/483498084.db2.gz HMPGTFSQPRWGGJ-HNNXBMFYSA-N 0 3 369.510 -0.315 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000525446888 483498704 /nfs/dbraw/zinc/49/87/04/483498704.db2.gz HMPGTFSQPRWGGJ-OAHLLOKOSA-N 0 3 369.510 -0.315 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N(CCN(C)C)CCN(C)C ZINC000525447059 483498766 /nfs/dbraw/zinc/49/87/66/483498766.db2.gz NNYHUVSMDAWIRL-UHFFFAOYSA-N 0 3 351.517 -0.551 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1nnc2n1CCC2 ZINC000525451757 483505426 /nfs/dbraw/zinc/50/54/26/483505426.db2.gz WSXUQLQQCYWNEY-CYBMUJFWSA-N 0 3 363.466 -0.034 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1nnc2n1CCC2 ZINC000525451758 483505344 /nfs/dbraw/zinc/50/53/44/483505344.db2.gz WSXUQLQQCYWNEY-ZDUSSCGKSA-N 0 3 363.466 -0.034 20 0 FBADHN COCC(=O)N[C@H](C(=O)NC1CCN(CCC(=O)N(C)C)CC1)C(C)C ZINC000525459139 483578198 /nfs/dbraw/zinc/57/81/98/483578198.db2.gz OORLRFJOLGRUMH-KRWDZBQOSA-N 0 3 370.494 -0.168 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000525477034 483605690 /nfs/dbraw/zinc/60/56/90/483605690.db2.gz QTRGDVLOMHEESZ-GXTWGEPZSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000525477035 483606177 /nfs/dbraw/zinc/60/61/77/483606177.db2.gz QTRGDVLOMHEESZ-JSGCOSHPSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000525477036 483606205 /nfs/dbraw/zinc/60/62/05/483606205.db2.gz QTRGDVLOMHEESZ-OCCSQVGLSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000525477037 483605636 /nfs/dbraw/zinc/60/56/36/483605636.db2.gz QTRGDVLOMHEESZ-TZMCWYRMSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)N(C)CC2CC2)cn1 ZINC000525532581 483708824 /nfs/dbraw/zinc/70/88/24/483708824.db2.gz VIVAQNZBZPVNSN-UHFFFAOYSA-N 0 3 358.468 -0.441 20 0 FBADHN CN(C)CCOC1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000525601076 483829306 /nfs/dbraw/zinc/82/93/06/483829306.db2.gz KZRLRGWUNSXJEU-UHFFFAOYSA-N 0 3 358.464 -0.145 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cccc(C(N)=O)c2)cn1 ZINC000525616049 483834471 /nfs/dbraw/zinc/83/44/71/483834471.db2.gz GRMCXZKTGMUPKD-UHFFFAOYSA-N 0 3 358.402 -0.088 20 0 FBADHN CC(C)CS(=O)(=O)CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000525616646 483837312 /nfs/dbraw/zinc/83/73/12/483837312.db2.gz GCIBFIJLKLLSOX-UHFFFAOYSA-N 0 3 373.479 -0.430 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CNCC(F)(F)F)cn1 ZINC000525616929 483837609 /nfs/dbraw/zinc/83/76/09/483837609.db2.gz MJVNASCMUXQJTC-UHFFFAOYSA-N 0 3 350.345 -0.349 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2ccccc2)cn1 ZINC000525617113 483837775 /nfs/dbraw/zinc/83/77/75/483837775.db2.gz WKTAGWLYZADXHV-UHFFFAOYSA-N 0 3 372.429 -0.071 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CN2CSCC2=O)cn1 ZINC000525617916 483840761 /nfs/dbraw/zinc/84/07/61/483840761.db2.gz BIANYERSRHEMKC-UHFFFAOYSA-N 0 3 354.436 -0.968 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CN2CCCCCC2=O)cn1 ZINC000525618320 483842352 /nfs/dbraw/zinc/84/23/52/483842352.db2.gz OFRBWSIFDZUWAD-UHFFFAOYSA-N 0 3 364.450 -0.098 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CCN2C(=O)CCC2=O)cn1 ZINC000525618438 483842884 /nfs/dbraw/zinc/84/28/84/483842884.db2.gz VBJATGNJYJXBRS-UHFFFAOYSA-N 0 3 364.406 -0.962 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)CN2CCCCC2=O)cn1 ZINC000525618608 483843301 /nfs/dbraw/zinc/84/33/01/483843301.db2.gz XSOSXRZRZWKEGF-UHFFFAOYSA-N 0 3 350.423 -0.488 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000525633593 483890505 /nfs/dbraw/zinc/89/05/05/483890505.db2.gz FQEVGAWRSXZDEA-UHFFFAOYSA-N 0 3 368.478 -0.362 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000525691317 484013157 /nfs/dbraw/zinc/01/31/57/484013157.db2.gz ANLQSFLBXKRVJR-CYBMUJFWSA-N 0 3 362.496 -0.627 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000525691318 484013628 /nfs/dbraw/zinc/01/36/28/484013628.db2.gz ANLQSFLBXKRVJR-ZDUSSCGKSA-N 0 3 362.496 -0.627 20 0 FBADHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCN(C4CC4)C3)cc2[nH]c1=O ZINC000525699777 484029893 /nfs/dbraw/zinc/02/98/93/484029893.db2.gz NKWIURZMDQTILB-JTQLQIEISA-N 0 3 364.427 -0.021 20 0 FBADHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCN(C4CC4)C3)cc2[nH]c1=O ZINC000525699778 484029698 /nfs/dbraw/zinc/02/96/98/484029698.db2.gz NKWIURZMDQTILB-SNVBAGLBSA-N 0 3 364.427 -0.021 20 0 FBADHN Cn1c2c(ccn2CC(=O)N2CC[C@@H](N3CCCC3)C2)c(=O)n(C)c1=O ZINC000525799488 483876150 /nfs/dbraw/zinc/87/61/50/483876150.db2.gz QYQYIVJLWFPKKL-CYBMUJFWSA-N 0 3 359.430 -0.265 20 0 FBADHN Cn1c2c(ccn2CC(=O)N2CC[C@H](N3CCCC3)C2)c(=O)n(C)c1=O ZINC000525799489 483876391 /nfs/dbraw/zinc/87/63/91/483876391.db2.gz QYQYIVJLWFPKKL-ZDUSSCGKSA-N 0 3 359.430 -0.265 20 0 FBADHN Cn1c2c(ccn2CC(=O)NC2CCN(C3CC3)CC2)c(=O)n(C)c1=O ZINC000525800803 483880915 /nfs/dbraw/zinc/88/09/15/483880915.db2.gz ZHYUMBWTDMLTIP-UHFFFAOYSA-N 0 3 359.430 -0.218 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000525805093 483889442 /nfs/dbraw/zinc/88/94/42/483889442.db2.gz NZDVAKSUWONWBK-CVEARBPZSA-N 0 3 352.479 -0.375 20 0 FBADHN C[C@H]1CCN(CCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000525805094 483889546 /nfs/dbraw/zinc/88/95/46/483889546.db2.gz NZDVAKSUWONWBK-HOTGVXAUSA-N 0 3 352.479 -0.375 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000525805095 483889749 /nfs/dbraw/zinc/88/97/49/483889749.db2.gz NZDVAKSUWONWBK-HZPDHXFCSA-N 0 3 352.479 -0.375 20 0 FBADHN C[C@H]1CCN(CCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000525805096 483889719 /nfs/dbraw/zinc/88/97/19/483889719.db2.gz NZDVAKSUWONWBK-JKSUJKDBSA-N 0 3 352.479 -0.375 20 0 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ZINC000527278255 484413842 /nfs/dbraw/zinc/41/38/42/484413842.db2.gz LLBAMTDQKBGTRB-UHFFFAOYSA-N 0 3 354.432 -0.226 20 0 FBADHN CCN1CCN([C@@H](C)CNS(=O)(=O)N(CCOC)CCOC)CC1 ZINC000527291979 484415289 /nfs/dbraw/zinc/41/52/89/484415289.db2.gz FQCWSTUVRZKCJC-HNNXBMFYSA-N 0 3 366.528 -0.558 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)N(CCOC)CCOC)CC1 ZINC000527291980 484414599 /nfs/dbraw/zinc/41/45/99/484414599.db2.gz FQCWSTUVRZKCJC-OAHLLOKOSA-N 0 3 366.528 -0.558 20 0 FBADHN COC1CCN(C2(CNC(=O)C(=O)NCC(=O)N(C)C)CCCC2)CC1 ZINC000527329725 484150049 /nfs/dbraw/zinc/15/00/49/484150049.db2.gz LCYOSWDEVYKVSB-UHFFFAOYSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C1(CN(C)C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCC1 ZINC000527363907 484165130 /nfs/dbraw/zinc/16/51/30/484165130.db2.gz BSIJIFWLOQLHBS-UHFFFAOYSA-N 0 3 361.446 -0.019 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000527373995 484173242 /nfs/dbraw/zinc/17/32/42/484173242.db2.gz LDIBNLAYXZQVQJ-UHFFFAOYSA-N 0 3 374.449 -0.447 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000527374076 484172747 /nfs/dbraw/zinc/17/27/47/484172747.db2.gz VVBPYFXQYPNXCP-UHFFFAOYSA-N 0 3 374.449 -0.447 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000527374269 484172676 /nfs/dbraw/zinc/17/26/76/484172676.db2.gz CKRNLICDMHCIHU-UHFFFAOYSA-N 0 3 351.455 -0.567 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000527374350 484172945 /nfs/dbraw/zinc/17/29/45/484172945.db2.gz KMJVJEWJCQSIPU-UHFFFAOYSA-N 0 3 350.423 -0.929 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000527376698 484088309 /nfs/dbraw/zinc/08/83/09/484088309.db2.gz JRBAYCZOKJRPGV-UHFFFAOYSA-N 0 3 353.471 -0.072 20 0 FBADHN CNS(=O)(=O)CCNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000527380507 484177421 /nfs/dbraw/zinc/17/74/21/484177421.db2.gz USIPUANDUJLGMV-AWEZNQCLSA-N 0 3 361.512 -0.655 20 0 FBADHN CNS(=O)(=O)CCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000527380508 484177764 /nfs/dbraw/zinc/17/77/64/484177764.db2.gz USIPUANDUJLGMV-CQSZACIVSA-N 0 3 361.512 -0.655 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000527389222 484185862 /nfs/dbraw/zinc/18/58/62/484185862.db2.gz DQRHQQBEJKSBTB-LLVKDONJSA-N 0 3 362.386 -0.383 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000527389223 484185584 /nfs/dbraw/zinc/18/55/84/484185584.db2.gz DQRHQQBEJKSBTB-NSHDSACASA-N 0 3 362.386 -0.383 20 0 FBADHN Cc1c(NC(=O)C(=O)NCCOCCN(C)C)cccc1-n1cnnn1 ZINC000527446257 485142668 /nfs/dbraw/zinc/14/26/68/485142668.db2.gz BLFGTJNAWZWSQE-UHFFFAOYSA-N 0 3 361.406 -0.396 20 0 FBADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000527511643 485146236 /nfs/dbraw/zinc/14/62/36/485146236.db2.gz GFRNYRQOWJMYRL-LLVKDONJSA-N 0 3 351.407 -0.007 20 0 FBADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000527511644 485146125 /nfs/dbraw/zinc/14/61/25/485146125.db2.gz GFRNYRQOWJMYRL-NSHDSACASA-N 0 3 351.407 -0.007 20 0 FBADHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2cn(C)c(=O)n(C)c2=O)cn1 ZINC000527527386 485147642 /nfs/dbraw/zinc/14/76/42/485147642.db2.gz UIZUXUKUDHOTFD-GJZGRUSLSA-N 0 3 364.425 -0.480 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)O1 ZINC000527552538 485147954 /nfs/dbraw/zinc/14/79/54/485147954.db2.gz CDDLPEZBPOOHOT-MOTUXRJWSA-N 0 3 352.479 -0.095 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000527650933 485150200 /nfs/dbraw/zinc/15/02/00/485150200.db2.gz YOBUPJIDOHRWNR-UHFFFAOYSA-N 0 3 365.478 -0.007 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC000527654253 485150831 /nfs/dbraw/zinc/15/08/31/485150831.db2.gz YRYMKCUXGDJVQN-HNNXBMFYSA-N 0 3 353.467 -0.149 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC000527654257 485149816 /nfs/dbraw/zinc/14/98/16/485149816.db2.gz YRYMKCUXGDJVQN-OAHLLOKOSA-N 0 3 353.467 -0.149 20 0 FBADHN CN(C)CCNC(=O)c1ccc(NCc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000527763041 485152138 /nfs/dbraw/zinc/15/21/38/485152138.db2.gz LAHVPXKDQHTKMT-UHFFFAOYSA-N 0 3 359.430 -0.013 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000527767154 485151595 /nfs/dbraw/zinc/15/15/95/485151595.db2.gz LNRYHAWMDIFDRG-AWEZNQCLSA-N 0 3 374.507 -0.083 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000527767155 485152158 /nfs/dbraw/zinc/15/21/58/485152158.db2.gz LNRYHAWMDIFDRG-CQSZACIVSA-N 0 3 374.507 -0.083 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC[C@@H]2CCCN2CCOC)CCO1 ZINC000527767402 485152266 /nfs/dbraw/zinc/15/22/66/485152266.db2.gz RKJCTURGRMXGTA-KBPBESRZSA-N 0 3 357.455 -0.563 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC[C@H]2CCCN2CCOC)CCO1 ZINC000527767403 485151471 /nfs/dbraw/zinc/15/14/71/485151471.db2.gz RKJCTURGRMXGTA-KGLIPLIRSA-N 0 3 357.455 -0.563 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC[C@@H]2CCCN2CCOC)CCO1 ZINC000527767404 485152225 /nfs/dbraw/zinc/15/22/25/485152225.db2.gz RKJCTURGRMXGTA-UONOGXRCSA-N 0 3 357.455 -0.563 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC[C@H]2CCCN2CCOC)CCO1 ZINC000527767405 485152038 /nfs/dbraw/zinc/15/20/38/485152038.db2.gz RKJCTURGRMXGTA-ZIAGYGMSSA-N 0 3 357.455 -0.563 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC2CCN(CCCOC)CC2)CCO1 ZINC000527767496 485151394 /nfs/dbraw/zinc/15/13/94/485151394.db2.gz STBFFAHJNJIGAG-HNNXBMFYSA-N 0 3 371.482 -0.173 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC2CCN(CCCOC)CC2)CCO1 ZINC000527767497 485151627 /nfs/dbraw/zinc/15/16/27/485151627.db2.gz STBFFAHJNJIGAG-OAHLLOKOSA-N 0 3 371.482 -0.173 20 0 FBADHN CCN1CCC(NC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC1 ZINC000527794555 485152623 /nfs/dbraw/zinc/15/26/23/485152623.db2.gz DCTBFVWVDAOOQE-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000527796687 485153153 /nfs/dbraw/zinc/15/31/53/485153153.db2.gz AANGPLLGWMKMFJ-AWEZNQCLSA-N 0 3 351.451 -0.397 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000527796702 485153408 /nfs/dbraw/zinc/15/34/08/485153408.db2.gz AANGPLLGWMKMFJ-CQSZACIVSA-N 0 3 351.451 -0.397 20 0 FBADHN COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000527796905 485152732 /nfs/dbraw/zinc/15/27/32/485152732.db2.gz BLBNHOZCFVHUCO-UHFFFAOYSA-N 0 3 374.507 -0.083 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000527797006 485152612 /nfs/dbraw/zinc/15/26/12/485152612.db2.gz CEWIBRMZLDCOFO-HNNXBMFYSA-N 0 3 353.467 -0.292 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000527797011 485153253 /nfs/dbraw/zinc/15/32/53/485153253.db2.gz CEWIBRMZLDCOFO-OAHLLOKOSA-N 0 3 353.467 -0.292 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC2CCN(CCOC)CC2)CCO1 ZINC000527798101 485153137 /nfs/dbraw/zinc/15/31/37/485153137.db2.gz FPPBYBYXGCUEFZ-AWEZNQCLSA-N 0 3 357.455 -0.563 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC2CCN(CCOC)CC2)CCO1 ZINC000527798104 485152809 /nfs/dbraw/zinc/15/28/09/485152809.db2.gz FPPBYBYXGCUEFZ-CQSZACIVSA-N 0 3 357.455 -0.563 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCO1 ZINC000527799112 485152963 /nfs/dbraw/zinc/15/29/63/485152963.db2.gz RDRNALJOPGBTHY-CABCVRRESA-N 0 3 370.498 -0.791 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCO1 ZINC000527799120 485152525 /nfs/dbraw/zinc/15/25/25/485152525.db2.gz RDRNALJOPGBTHY-GJZGRUSLSA-N 0 3 370.498 -0.791 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCO1 ZINC000527799122 485153117 /nfs/dbraw/zinc/15/31/17/485153117.db2.gz RDRNALJOPGBTHY-HUUCEWRRSA-N 0 3 370.498 -0.791 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCO1 ZINC000527799124 485152564 /nfs/dbraw/zinc/15/25/64/485152564.db2.gz RDRNALJOPGBTHY-LSDHHAIUSA-N 0 3 370.498 -0.791 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000527808376 485153290 /nfs/dbraw/zinc/15/32/90/485153290.db2.gz NELFILCIYRSFMB-DZGCQCFKSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000527808380 485153353 /nfs/dbraw/zinc/15/33/53/485153353.db2.gz NELFILCIYRSFMB-HIFRSBDPSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000527808382 485152946 /nfs/dbraw/zinc/15/29/46/485152946.db2.gz NELFILCIYRSFMB-UKRRQHHQSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000527808384 485152919 /nfs/dbraw/zinc/15/29/19/485152919.db2.gz NELFILCIYRSFMB-ZFWWWQNUSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000527810640 485153275 /nfs/dbraw/zinc/15/32/75/485153275.db2.gz XPWCYPKYLVKNMM-CYBMUJFWSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000527810645 485153065 /nfs/dbraw/zinc/15/30/65/485153065.db2.gz XPWCYPKYLVKNMM-ZDUSSCGKSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000527814625 485153382 /nfs/dbraw/zinc/15/33/82/485153382.db2.gz XQNUYOZOIDGUJK-DZGCQCFKSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000527814626 485153003 /nfs/dbraw/zinc/15/30/03/485153003.db2.gz XQNUYOZOIDGUJK-HIFRSBDPSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000527814627 485153859 /nfs/dbraw/zinc/15/38/59/485153859.db2.gz XQNUYOZOIDGUJK-UKRRQHHQSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000527814628 485153832 /nfs/dbraw/zinc/15/38/32/485153832.db2.gz XQNUYOZOIDGUJK-ZFWWWQNUSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000527818610 485153089 /nfs/dbraw/zinc/15/30/89/485153089.db2.gz GSBDGGNRAZPCOI-BBRMVZONSA-N 0 3 365.478 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000527818612 485152788 /nfs/dbraw/zinc/15/27/88/485152788.db2.gz GSBDGGNRAZPCOI-CJNGLKHVSA-N 0 3 365.478 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000527818615 485153297 /nfs/dbraw/zinc/15/32/97/485153297.db2.gz GSBDGGNRAZPCOI-CZUORRHYSA-N 0 3 365.478 -0.151 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000527818616 485153222 /nfs/dbraw/zinc/15/32/22/485153222.db2.gz GSBDGGNRAZPCOI-XJKSGUPXSA-N 0 3 365.478 -0.151 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CCO1 ZINC000527869690 485153780 /nfs/dbraw/zinc/15/37/80/485153780.db2.gz VXKGLZZWFUZZNQ-CABCVRRESA-N 0 3 370.498 -0.648 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CCO1 ZINC000527869691 485154393 /nfs/dbraw/zinc/15/43/93/485154393.db2.gz VXKGLZZWFUZZNQ-GJZGRUSLSA-N 0 3 370.498 -0.648 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CCO1 ZINC000527869692 485153877 /nfs/dbraw/zinc/15/38/77/485153877.db2.gz VXKGLZZWFUZZNQ-HUUCEWRRSA-N 0 3 370.498 -0.648 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CCO1 ZINC000527869693 485154302 /nfs/dbraw/zinc/15/43/02/485154302.db2.gz VXKGLZZWFUZZNQ-LSDHHAIUSA-N 0 3 370.498 -0.648 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000527872486 485155237 /nfs/dbraw/zinc/15/52/37/485155237.db2.gz VTOFENJCNZTGCU-UHFFFAOYSA-N 0 3 353.467 -0.149 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)CCO1 ZINC000527916356 485156649 /nfs/dbraw/zinc/15/66/49/485156649.db2.gz PWBOULLNPNXXPF-AWEZNQCLSA-N 0 3 370.498 -0.648 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)CCO1 ZINC000527916359 485156174 /nfs/dbraw/zinc/15/61/74/485156174.db2.gz PWBOULLNPNXXPF-CQSZACIVSA-N 0 3 370.498 -0.648 20 0 FBADHN CN1CCC(CNC(=O)N[C@H]2CCCN(C)C2=O)(N2CCOCC2)CC1 ZINC000528010377 485156092 /nfs/dbraw/zinc/15/60/92/485156092.db2.gz INVYBCFVJLDUFA-HNNXBMFYSA-N 0 3 367.494 -0.297 20 0 FBADHN CN1CCC(CNC(=O)N[C@@H]2CCCN(C)C2=O)(N2CCOCC2)CC1 ZINC000528010378 485156434 /nfs/dbraw/zinc/15/64/34/485156434.db2.gz INVYBCFVJLDUFA-OAHLLOKOSA-N 0 3 367.494 -0.297 20 0 FBADHN CN1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)[C@@H](CN)C1 ZINC000528044373 485157159 /nfs/dbraw/zinc/15/71/59/485157159.db2.gz GIBQMYZRRMSDPX-AWEZNQCLSA-N 0 3 364.471 -0.215 20 0 FBADHN CN1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)[C@H](CN)C1 ZINC000528044374 485157247 /nfs/dbraw/zinc/15/72/47/485157247.db2.gz GIBQMYZRRMSDPX-CQSZACIVSA-N 0 3 364.471 -0.215 20 0 FBADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000528047810 485157289 /nfs/dbraw/zinc/15/72/89/485157289.db2.gz PULQPDGXXMGYBO-HTQZYQBOSA-N 0 3 367.353 -0.629 20 0 FBADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000528047821 485157611 /nfs/dbraw/zinc/15/76/11/485157611.db2.gz PULQPDGXXMGYBO-JGVFFNPUSA-N 0 3 367.353 -0.629 20 0 FBADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000528047824 485157080 /nfs/dbraw/zinc/15/70/80/485157080.db2.gz PULQPDGXXMGYBO-SFYZADRCSA-N 0 3 367.353 -0.629 20 0 FBADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000528047828 485157429 /nfs/dbraw/zinc/15/74/29/485157429.db2.gz PULQPDGXXMGYBO-YUMQZZPRSA-N 0 3 367.353 -0.629 20 0 FBADHN O=C1CCc2cc(S(=O)(=O)NC[C@H]3CNCCO3)cc3c2N1CC3 ZINC000528048113 485157057 /nfs/dbraw/zinc/15/70/57/485157057.db2.gz RQYIYSXBQBTCBL-CYBMUJFWSA-N 0 3 351.428 -0.211 20 0 FBADHN O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CNCCO3)cc3c2N1CC3 ZINC000528048116 485157679 /nfs/dbraw/zinc/15/76/79/485157679.db2.gz RQYIYSXBQBTCBL-ZDUSSCGKSA-N 0 3 351.428 -0.211 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC[NH2+]C34CCC4)cnc21 ZINC000528050513 485157066 /nfs/dbraw/zinc/15/70/66/485157066.db2.gz CSHYUXWCDXYIJY-LLVKDONJSA-N 0 3 365.415 -0.403 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H]3CC[NH2+]C34CCC4)cnc21 ZINC000528050515 485157701 /nfs/dbraw/zinc/15/77/01/485157701.db2.gz CSHYUXWCDXYIJY-NSHDSACASA-N 0 3 365.415 -0.403 20 0 FBADHN NCC1(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCOCC1 ZINC000528057464 485159124 /nfs/dbraw/zinc/15/91/24/485159124.db2.gz WILHIRKLAJBMPK-UHFFFAOYSA-N 0 3 360.457 -0.197 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528296930 485161218 /nfs/dbraw/zinc/16/12/18/485161218.db2.gz SPQFBSQKFHDIIK-HNNXBMFYSA-N 0 3 373.523 -0.381 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528296980 485161914 /nfs/dbraw/zinc/16/19/14/485161914.db2.gz SPQFBSQKFHDIIK-OAHLLOKOSA-N 0 3 373.523 -0.381 20 0 FBADHN O[C@@H](CN1CCN(C[C@@H](O)CC2(O)CCC2)C[C@@H](O)C1)CC1(O)CCC1 ZINC000528427541 484472296 /nfs/dbraw/zinc/47/22/96/484472296.db2.gz PGFSMIZOAYUZSQ-FVQHAEBGSA-N 0 3 372.506 -0.703 20 0 FBADHN O[C@H](CN1CCN(C[C@@H](O)CC2(O)CCC2)CC(O)C1)CC1(O)CCC1 ZINC000528427542 484472446 /nfs/dbraw/zinc/47/24/46/484472446.db2.gz PGFSMIZOAYUZSQ-HOTGVXAUSA-N 0 3 372.506 -0.703 20 0 FBADHN O[C@@H](CN1CCN(C[C@H](O)CC2(O)CCC2)CC(O)C1)CC1(O)CCC1 ZINC000528427543 484472580 /nfs/dbraw/zinc/47/25/80/484472580.db2.gz PGFSMIZOAYUZSQ-HZPDHXFCSA-N 0 3 372.506 -0.703 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000528490601 485146449 /nfs/dbraw/zinc/14/64/49/485146449.db2.gz QMHRSBQHUJIYGP-KBPBESRZSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000528490604 485146395 /nfs/dbraw/zinc/14/63/95/485146395.db2.gz QMHRSBQHUJIYGP-KGLIPLIRSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000528490608 485145867 /nfs/dbraw/zinc/14/58/67/485145867.db2.gz QMHRSBQHUJIYGP-UONOGXRCSA-N 0 3 360.480 -0.120 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000528490611 485146473 /nfs/dbraw/zinc/14/64/73/485146473.db2.gz QMHRSBQHUJIYGP-ZIAGYGMSSA-N 0 3 360.480 -0.120 20 0 FBADHN C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528605054 484476537 /nfs/dbraw/zinc/47/65/37/484476537.db2.gz QEQOLLUJLJDQDG-JYJNAYRXSA-N 0 3 363.458 -0.038 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528605064 484475984 /nfs/dbraw/zinc/47/59/84/484475984.db2.gz QEQOLLUJLJDQDG-PMPSAXMXSA-N 0 3 363.458 -0.038 20 0 FBADHN O=C(CN1CCN(S(=O)(=O)C2CC2)CC1)NC1CCN(C2CC2)CC1 ZINC000528606234 484475970 /nfs/dbraw/zinc/47/59/70/484475970.db2.gz DKKADPPLHLTFBJ-UHFFFAOYSA-N 0 3 370.519 -0.161 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000528606777 484475889 /nfs/dbraw/zinc/47/58/89/484475889.db2.gz GBJDEMYWMXWBBB-UHFFFAOYSA-N 0 3 358.508 -0.303 20 0 FBADHN O=C(CN1C[C@@H](CO)[C@H](CO)C1)NCC1(N2CCOCC2)CCCCC1 ZINC000528610511 484476302 /nfs/dbraw/zinc/47/63/02/484476302.db2.gz ZMMGYURDFWJLHM-IRXDYDNUSA-N 0 3 369.506 -0.330 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(OCCN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000528612608 484476892 /nfs/dbraw/zinc/47/68/92/484476892.db2.gz XUFZXJYXKJFDDE-KBPBESRZSA-N 0 3 358.460 -0.152 20 0 FBADHN CNC(=O)NC[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000528622658 484477262 /nfs/dbraw/zinc/47/72/62/484477262.db2.gz HBXOCISCIZIPEI-HNNXBMFYSA-N 0 3 353.467 -0.641 20 0 FBADHN CNC(=O)NC[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000528622667 484477129 /nfs/dbraw/zinc/47/71/29/484477129.db2.gz HBXOCISCIZIPEI-OAHLLOKOSA-N 0 3 353.467 -0.641 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528635266 484478125 /nfs/dbraw/zinc/47/81/25/484478125.db2.gz PGVXHZRLNLXCDO-DZUCGIPZSA-N 0 3 360.458 -0.314 20 0 FBADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528635273 484478981 /nfs/dbraw/zinc/47/89/81/484478981.db2.gz PGVXHZRLNLXCDO-LLLHUVSDSA-N 0 3 360.458 -0.314 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528635275 484479022 /nfs/dbraw/zinc/47/90/22/484479022.db2.gz PGVXHZRLNLXCDO-SVGFKBNWSA-N 0 3 360.458 -0.314 20 0 FBADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528635278 484479196 /nfs/dbraw/zinc/47/91/96/484479196.db2.gz PGVXHZRLNLXCDO-XBVQOTNRSA-N 0 3 360.458 -0.314 20 0 FBADHN CC(=O)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@H]2CO)CC1 ZINC000528640406 484479125 /nfs/dbraw/zinc/47/91/25/484479125.db2.gz PLBMAWYVVURRSD-INIZCTEOSA-N 0 3 353.463 -0.069 20 0 FBADHN CC(=O)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@@H]2CO)CC1 ZINC000528640407 484478303 /nfs/dbraw/zinc/47/83/03/484478303.db2.gz PLBMAWYVVURRSD-MRXNPFEDSA-N 0 3 353.463 -0.069 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1 ZINC000528697134 484480001 /nfs/dbraw/zinc/48/00/01/484480001.db2.gz KGHBLKMEWIPWNA-NEPJUHHUSA-N 0 3 361.402 -0.170 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1 ZINC000528697145 484480019 /nfs/dbraw/zinc/48/00/19/484480019.db2.gz KGHBLKMEWIPWNA-NWDGAFQWSA-N 0 3 361.402 -0.170 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1 ZINC000528697147 484480679 /nfs/dbraw/zinc/48/06/79/484480679.db2.gz KGHBLKMEWIPWNA-RYUDHWBXSA-N 0 3 361.402 -0.170 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1 ZINC000528697149 484480010 /nfs/dbraw/zinc/48/00/10/484480010.db2.gz KGHBLKMEWIPWNA-VXGBXAGGSA-N 0 3 361.402 -0.170 20 0 FBADHN CNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528707645 484480588 /nfs/dbraw/zinc/48/05/88/484480588.db2.gz PZLAPFYTKWPXDS-UHFFFAOYSA-N 0 3 369.447 -0.218 20 0 FBADHN CC1(N2CCOCC2)CCN(CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000528727258 484480125 /nfs/dbraw/zinc/48/01/25/484480125.db2.gz IRXPJGCVQMCJPZ-UHFFFAOYSA-N 0 3 352.479 -0.088 20 0 FBADHN CC(=O)N1CCN(C(=O)CN2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000528729114 484480224 /nfs/dbraw/zinc/48/02/24/484480224.db2.gz GBSHRBLQSMSQEF-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN CCN1CCC(NC(=O)CN2CCCN(C(=O)CNC(C)=O)CC2)CC1 ZINC000528730106 484480865 /nfs/dbraw/zinc/48/08/65/484480865.db2.gz RAMIUXBNKJTODK-UHFFFAOYSA-N 0 3 367.494 -0.743 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCC(C)(N3CCOCC3)CC2)cn1 ZINC000528730167 484480809 /nfs/dbraw/zinc/48/08/09/484480809.db2.gz WQQDZPJZKMVGFW-UHFFFAOYSA-N 0 3 371.507 -0.115 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@](C)(CO)[C@](C)(CO)C2)C1 ZINC000528750564 484480623 /nfs/dbraw/zinc/48/06/23/484480623.db2.gz PYBVXBIXZVZYAA-QRQLOZEOSA-N 0 3 371.522 -0.228 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2C[C@](C)(CO)[C@](C)(CO)C2)C1 ZINC000528750567 484480749 /nfs/dbraw/zinc/48/07/49/484480749.db2.gz PYBVXBIXZVZYAA-YTQUADARSA-N 0 3 371.522 -0.228 20 0 FBADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000528751673 484480918 /nfs/dbraw/zinc/48/09/18/484480918.db2.gz IXPKSPHUGWJZHA-DEQQHWRFSA-N 0 3 373.519 -0.281 20 0 FBADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000528751677 484480667 /nfs/dbraw/zinc/48/06/67/484480667.db2.gz IXPKSPHUGWJZHA-JRBZFYFNSA-N 0 3 373.519 -0.281 20 0 FBADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000528751681 484479845 /nfs/dbraw/zinc/47/98/45/484479845.db2.gz IXPKSPHUGWJZHA-KSXIZUIISA-N 0 3 373.519 -0.281 20 0 FBADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000528751685 484481051 /nfs/dbraw/zinc/48/10/51/484481051.db2.gz IXPKSPHUGWJZHA-LBKYZSNHSA-N 0 3 373.519 -0.281 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)Nc2ccn(CCN(C)C)n2)CCO1 ZINC000528993464 484185499 /nfs/dbraw/zinc/18/54/99/484185499.db2.gz CCBHYERHZWKUCS-GFCCVEGCSA-N 0 3 353.427 -0.394 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)Nc2ccn(CCN(C)C)n2)CCO1 ZINC000528993465 484185163 /nfs/dbraw/zinc/18/51/63/484185163.db2.gz CCBHYERHZWKUCS-LBPRGKRZSA-N 0 3 353.427 -0.394 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CCO1 ZINC000529109951 484486339 /nfs/dbraw/zinc/48/63/39/484486339.db2.gz ODBYWHMSBNVEBX-GFCCVEGCSA-N 0 3 353.427 -0.394 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CCO1 ZINC000529109963 484485842 /nfs/dbraw/zinc/48/58/42/484485842.db2.gz ODBYWHMSBNVEBX-LBPRGKRZSA-N 0 3 353.427 -0.394 20 0 FBADHN CN1CCN(CCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1(C)C ZINC000529271528 484488068 /nfs/dbraw/zinc/48/80/68/484488068.db2.gz PKTPMOYBODPKAN-AWEZNQCLSA-N 0 3 360.524 -0.200 20 0 FBADHN CCN1CCC(NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000529280965 484487852 /nfs/dbraw/zinc/48/78/52/484487852.db2.gz DRBWWTUHISBBOH-UHFFFAOYSA-N 0 3 352.483 -0.177 20 0 FBADHN O=C(NC1CCN(C2CC2)CC1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529283275 484488018 /nfs/dbraw/zinc/48/80/18/484488018.db2.gz 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CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000529751248 484502148 /nfs/dbraw/zinc/50/21/48/484502148.db2.gz IIYZCHJHCWTHDC-MAUKXSAKSA-N 0 3 352.479 -0.892 20 0 FBADHN CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000529751249 484502364 /nfs/dbraw/zinc/50/23/64/484502364.db2.gz IIYZCHJHCWTHDC-QAPCUYQASA-N 0 3 352.479 -0.892 20 0 FBADHN CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000529751250 484502437 /nfs/dbraw/zinc/50/24/37/484502437.db2.gz IIYZCHJHCWTHDC-YJBOKZPZSA-N 0 3 352.479 -0.892 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)n1 ZINC000529755573 484503327 /nfs/dbraw/zinc/50/33/27/484503327.db2.gz ZWBIBHFLMSMRSJ-GOSISDBHSA-N 0 3 365.478 -0.210 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)n1 ZINC000529755575 484503412 /nfs/dbraw/zinc/50/34/12/484503412.db2.gz ZWBIBHFLMSMRSJ-SFHVURJKSA-N 0 3 365.478 -0.210 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC(c2nccn2C)c2nccn2C)CC1=O ZINC000529757523 484503636 /nfs/dbraw/zinc/50/36/36/484503636.db2.gz SPYMJIIEUVKSKW-CYBMUJFWSA-N 0 3 373.461 -0.231 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC(c2nccn2C)c2nccn2C)CC1=O ZINC000529757524 484503226 /nfs/dbraw/zinc/50/32/26/484503226.db2.gz SPYMJIIEUVKSKW-ZDUSSCGKSA-N 0 3 373.461 -0.231 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)[C@@H]2CCCO2)CC1=O ZINC000529769491 484503008 /nfs/dbraw/zinc/50/30/08/484503008.db2.gz UFEABYXCGAHMAX-FPCVCCKLSA-N 0 3 353.463 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)[C@H]2CCCO2)CC1=O ZINC000529769495 484503547 /nfs/dbraw/zinc/50/35/47/484503547.db2.gz UFEABYXCGAHMAX-KLHDSHLOSA-N 0 3 353.463 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)[C@H]2CCCO2)CC1=O ZINC000529769498 484503587 /nfs/dbraw/zinc/50/35/87/484503587.db2.gz UFEABYXCGAHMAX-LVQVYYBASA-N 0 3 353.463 -0.025 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)[C@@H]2CCCO2)CC1=O ZINC000529769502 484503150 /nfs/dbraw/zinc/50/31/50/484503150.db2.gz UFEABYXCGAHMAX-WCVJEAGWSA-N 0 3 353.463 -0.025 20 0 FBADHN Cc1cccc(N2CCN(CCC(=O)N3C[C@H](O)C[C@H]3C(N)=O)CC2)c1 ZINC000529779267 484505152 /nfs/dbraw/zinc/50/51/52/484505152.db2.gz KNGLQWNMMJGCHT-SJORKVTESA-N 0 3 360.458 -0.046 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N[C@@]2(CO)COc3ccccc3C2)CC1=O ZINC000529820945 484506121 /nfs/dbraw/zinc/50/61/21/484506121.db2.gz HMPPYGMDYWXVGO-BEFAXECRSA-N 0 3 361.442 -0.121 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N[C@]2(CO)COc3ccccc3C2)CC1=O ZINC000529820946 484506063 /nfs/dbraw/zinc/50/60/63/484506063.db2.gz HMPPYGMDYWXVGO-DNVCBOLYSA-N 0 3 361.442 -0.121 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N[C@]2(CO)COc3ccccc3C2)CC1=O ZINC000529820947 484506336 /nfs/dbraw/zinc/50/63/36/484506336.db2.gz HMPPYGMDYWXVGO-HNAYVOBHSA-N 0 3 361.442 -0.121 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N[C@@]2(CO)COc3ccccc3C2)CC1=O ZINC000529820948 484506356 /nfs/dbraw/zinc/50/63/56/484506356.db2.gz HMPPYGMDYWXVGO-KXBFYZLASA-N 0 3 361.442 -0.121 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@H]3CCN3C3CCCC3)c2c(=O)n(C)c1=O ZINC000530024263 484508953 /nfs/dbraw/zinc/50/89/53/484508953.db2.gz BIDMCTVWTDAQOG-CYBMUJFWSA-N 0 3 374.445 -0.433 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@@H]3CCN3C3CCCC3)c2c(=O)n(C)c1=O ZINC000530024264 484509209 /nfs/dbraw/zinc/50/92/09/484509209.db2.gz BIDMCTVWTDAQOG-ZDUSSCGKSA-N 0 3 374.445 -0.433 20 0 FBADHN CS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000530024855 484509189 /nfs/dbraw/zinc/50/91/89/484509189.db2.gz XYOZRALWFNSJNR-HNNXBMFYSA-N 0 3 358.508 -0.303 20 0 FBADHN CS(=O)(=O)N1CCN(CC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000530024857 484508814 /nfs/dbraw/zinc/50/88/14/484508814.db2.gz XYOZRALWFNSJNR-OAHLLOKOSA-N 0 3 358.508 -0.303 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CCN1C1CCCC1)c(=O)n2C ZINC000530027166 484509070 /nfs/dbraw/zinc/50/90/70/484509070.db2.gz NTEPHYWGXGCYQW-CYBMUJFWSA-N 0 3 374.445 -0.433 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1CCN1C1CCCC1)c(=O)n2C ZINC000530027167 484509181 /nfs/dbraw/zinc/50/91/81/484509181.db2.gz NTEPHYWGXGCYQW-ZDUSSCGKSA-N 0 3 374.445 -0.433 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1=O ZINC000530051375 484509304 /nfs/dbraw/zinc/50/93/04/484509304.db2.gz FLGTVIDJPXXADN-MCIONIFRSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1=O ZINC000530051377 484509171 /nfs/dbraw/zinc/50/91/71/484509171.db2.gz FLGTVIDJPXXADN-MJBXVCDLSA-N 0 3 357.476 -0.425 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000530220847 484511315 /nfs/dbraw/zinc/51/13/15/484511315.db2.gz DEBAVLYLAUSWNX-UHFFFAOYSA-N 0 3 366.510 -0.770 20 0 FBADHN CCN1CCN(C(=O)[C@H](C)N2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000530223518 484512471 /nfs/dbraw/zinc/51/24/71/484512471.db2.gz OEXFXOIXZVIBFA-INIZCTEOSA-N 0 3 366.510 -0.818 20 0 FBADHN CCN1CCN(C(=O)[C@@H](C)N2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000530223521 484512443 /nfs/dbraw/zinc/51/24/43/484512443.db2.gz OEXFXOIXZVIBFA-MRXNPFEDSA-N 0 3 366.510 -0.818 20 0 FBADHN O=C(N1CCNCC1)N1CCN(Cc2nc3c(s2)CNCC3)CC1 ZINC000530242029 484512356 /nfs/dbraw/zinc/51/23/56/484512356.db2.gz IXNUKPAQJUIRNB-UHFFFAOYSA-N 0 3 350.492 -0.068 20 0 FBADHN COCCN1CCCN(C(=O)NCCCCN2CCN(C)CC2)CC1=O ZINC000530327427 484515686 /nfs/dbraw/zinc/51/56/86/484515686.db2.gz IBLXPPKLIOCZNE-UHFFFAOYSA-N 0 3 369.510 -0.096 20 0 FBADHN CN1CCN(CCCCNC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000530332312 484515534 /nfs/dbraw/zinc/51/55/34/484515534.db2.gz XVROATIEKFYNAZ-UHFFFAOYSA-N 0 3 374.489 -0.225 20 0 FBADHN Cc1nc(N2C[C@@H](C)O[C@@H](CO)C2)cc(N2C[C@H](C)O[C@H](CO)C2)n1 ZINC000530332476 484515393 /nfs/dbraw/zinc/51/53/93/484515393.db2.gz XPURABFVKJETBT-CUFDPUGPSA-N 0 3 352.435 -0.043 20 0 FBADHN Cc1nc(N2C[C@@H](C)O[C@H](CO)C2)cc(N2C[C@H](C)O[C@H](CO)C2)n1 ZINC000530332478 484515653 /nfs/dbraw/zinc/51/56/53/484515653.db2.gz XPURABFVKJETBT-NEBZKDRISA-N 0 3 352.435 -0.043 20 0 FBADHN Cc1nc(N2C[C@H](CO)O[C@@H](C)C2)cc(N2C[C@H](C)O[C@H](CO)C2)n1 ZINC000530332479 484515592 /nfs/dbraw/zinc/51/55/92/484515592.db2.gz XPURABFVKJETBT-NZBPQXDJSA-N 0 3 352.435 -0.043 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCOCCN(C)C)C1 ZINC000530353207 484515981 /nfs/dbraw/zinc/51/59/81/484515981.db2.gz CZFIQQNLIROYGO-CYBMUJFWSA-N 0 3 351.469 -0.326 20 0 FBADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCOCCN(C)C)C1 ZINC000530353208 484515750 /nfs/dbraw/zinc/51/57/50/484515750.db2.gz CZFIQQNLIROYGO-ZDUSSCGKSA-N 0 3 351.469 -0.326 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CN(C)CCN1C ZINC000530375017 484516506 /nfs/dbraw/zinc/51/65/06/484516506.db2.gz XMJRCHPORFNALS-HNNXBMFYSA-N 0 3 372.539 -0.414 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CN(C)CCN1C ZINC000530375018 484516812 /nfs/dbraw/zinc/51/68/12/484516812.db2.gz XMJRCHPORFNALS-OAHLLOKOSA-N 0 3 372.539 -0.414 20 0 FBADHN CNc1nc(NCCc2cnccn2)nc(NCCc2cnccn2)n1 ZINC000530376360 484516546 /nfs/dbraw/zinc/51/65/46/484516546.db2.gz KKCVYPSSMQYHTQ-UHFFFAOYSA-N 0 3 352.406 -0.932 20 0 FBADHN CNc1nc(NCCN2CC=CCC2)nc(NCCN2CC=CCC2)n1 ZINC000530377517 484516986 /nfs/dbraw/zinc/51/69/86/484516986.db2.gz JMNSTYBKIHCBCY-UHFFFAOYSA-N 0 3 358.494 -0.473 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCn2ncnc2C1 ZINC000530379912 484516606 /nfs/dbraw/zinc/51/66/06/484516606.db2.gz OIDNEPGQVCNHTC-UHFFFAOYSA-N 0 3 353.452 -0.142 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](C)S(C)(=O)=O ZINC000530430883 484517932 /nfs/dbraw/zinc/51/79/32/484517932.db2.gz HSFTYPBFGSYYSU-JTQLQIEISA-N 0 3 366.509 -0.227 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O ZINC000530430884 484517849 /nfs/dbraw/zinc/51/78/49/484517849.db2.gz HSFTYPBFGSYYSU-SNVBAGLBSA-N 0 3 366.509 -0.227 20 0 FBADHN C[C@@H]1CCN(CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000530535968 483485431 /nfs/dbraw/zinc/48/54/31/483485431.db2.gz BAWAAHRKNNHCRY-CYBMUJFWSA-N 0 3 367.537 -0.081 20 0 FBADHN C[C@H]1CCN(CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000530535969 483485259 /nfs/dbraw/zinc/48/52/59/483485259.db2.gz BAWAAHRKNNHCRY-ZDUSSCGKSA-N 0 3 367.537 -0.081 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN2C(=O)N=NC2C1 ZINC000530536635 483485157 /nfs/dbraw/zinc/48/51/57/483485157.db2.gz FKCFLFBTVQQBAJ-UHFFFAOYSA-N 0 3 369.451 -0.437 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000530538418 483487241 /nfs/dbraw/zinc/48/72/41/483487241.db2.gz JGRUVVCYSRNNAD-HNNXBMFYSA-N 0 3 371.507 -0.233 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000530538424 483486962 /nfs/dbraw/zinc/48/69/62/483486962.db2.gz JGRUVVCYSRNNAD-OAHLLOKOSA-N 0 3 371.507 -0.233 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000530567007 483504039 /nfs/dbraw/zinc/50/40/39/483504039.db2.gz WFLKOBWPOOUCOT-GFCCVEGCSA-N 0 3 368.459 -0.009 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000530567008 483503871 /nfs/dbraw/zinc/50/38/71/483503871.db2.gz WFLKOBWPOOUCOT-LBPRGKRZSA-N 0 3 368.459 -0.009 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000530567432 483505334 /nfs/dbraw/zinc/50/53/34/483505334.db2.gz GCPLUALOONLTOX-CYBMUJFWSA-N 0 3 374.445 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/nfs/dbraw/zinc/53/58/95/483535895.db2.gz DUCIPKHOLZPIMM-CJNGLKHVSA-N 0 3 374.441 -0.015 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CC[C@@H](C)C2)c2ccccc2O1 ZINC000530806072 483536589 /nfs/dbraw/zinc/53/65/89/483536589.db2.gz DUCIPKHOLZPIMM-CZUORRHYSA-N 0 3 374.441 -0.015 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CC[C@H](C)C2)c2ccccc2O1 ZINC000530806073 483536067 /nfs/dbraw/zinc/53/60/67/483536067.db2.gz DUCIPKHOLZPIMM-XJKSGUPXSA-N 0 3 374.441 -0.015 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000530806624 483535985 /nfs/dbraw/zinc/53/59/85/483535985.db2.gz WPNGHXDOFKDLQU-LLVKDONJSA-N 0 3 354.432 -0.118 20 0 FBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000530806626 483536049 /nfs/dbraw/zinc/53/60/49/483536049.db2.gz WPNGHXDOFKDLQU-NSHDSACASA-N 0 3 354.432 -0.118 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530810576 483536645 /nfs/dbraw/zinc/53/66/45/483536645.db2.gz OLUSCWWNSXLZRQ-KRWDZBQOSA-N 0 3 367.471 -0.273 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530810577 483536458 /nfs/dbraw/zinc/53/64/58/483536458.db2.gz OLUSCWWNSXLZRQ-QGZVFWFLSA-N 0 3 367.471 -0.273 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530813289 483537752 /nfs/dbraw/zinc/53/77/52/483537752.db2.gz GESQGXGBPSEXGG-FQEVSTJZSA-N 0 3 374.485 -0.096 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530813292 483538068 /nfs/dbraw/zinc/53/80/68/483538068.db2.gz GESQGXGBPSEXGG-HXUWFJFHSA-N 0 3 374.485 -0.096 20 0 FBADHN O=C(CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000530814167 483537482 /nfs/dbraw/zinc/53/74/82/483537482.db2.gz UFKBSTXJUSQMAC-IBGZPJMESA-N 0 3 361.442 -0.012 20 0 FBADHN O=C(CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000530814169 483537936 /nfs/dbraw/zinc/53/79/36/483537936.db2.gz UFKBSTXJUSQMAC-LJQANCHMSA-N 0 3 361.442 -0.012 20 0 FBADHN CCN1CCC(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000530814554 483537570 /nfs/dbraw/zinc/53/75/70/483537570.db2.gz UWZWILWZAGXBIN-UHFFFAOYSA-N 0 3 362.496 -0.579 20 0 FBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CCCC3)C2)c[nH]1 ZINC000530815097 483537917 /nfs/dbraw/zinc/53/79/17/483537917.db2.gz QXMWKSMMZIWLKD-LLVKDONJSA-N 0 3 369.447 -0.911 20 0 FBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CCCC3)C2)c[nH]1 ZINC000530815100 483537549 /nfs/dbraw/zinc/53/75/49/483537549.db2.gz QXMWKSMMZIWLKD-NSHDSACASA-N 0 3 369.447 -0.911 20 0 FBADHN O=C(NCCCN1C(=O)CNC1=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530815963 483539135 /nfs/dbraw/zinc/53/91/35/483539135.db2.gz NONUQRURJNJFKZ-GOSISDBHSA-N 0 3 360.414 -0.319 20 0 FBADHN O=C(NCCCN1C(=O)CNC1=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530815972 483539560 /nfs/dbraw/zinc/53/95/60/483539560.db2.gz NONUQRURJNJFKZ-SFHVURJKSA-N 0 3 360.414 -0.319 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1CCCN(C)C1 ZINC000530816027 483539182 /nfs/dbraw/zinc/53/91/82/483539182.db2.gz QCCWHFKDICGHAJ-CYBMUJFWSA-N 0 3 362.496 -0.722 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000530816029 483538690 /nfs/dbraw/zinc/53/86/90/483538690.db2.gz QCCWHFKDICGHAJ-ZDUSSCGKSA-N 0 3 362.496 -0.722 20 0 FBADHN CCOC(=O)C1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1 ZINC000530820348 483539058 /nfs/dbraw/zinc/53/90/58/483539058.db2.gz SOYNLJCVVKKABK-UHFFFAOYSA-N 0 3 351.407 -0.157 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000530820418 483539389 /nfs/dbraw/zinc/53/93/89/483539389.db2.gz GCZFCHQJRXWEAO-UHFFFAOYSA-N 0 3 362.478 -0.544 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1=O ZINC000530820892 483540271 /nfs/dbraw/zinc/54/02/71/483540271.db2.gz IWONTZYILGTTDL-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000530820893 483540562 /nfs/dbraw/zinc/54/05/62/483540562.db2.gz IWONTZYILGTTDL-MCIONIFRSA-N 0 3 359.492 -0.132 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1=O ZINC000530820894 483540514 /nfs/dbraw/zinc/54/05/14/483540514.db2.gz IWONTZYILGTTDL-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000530820895 483540416 /nfs/dbraw/zinc/54/04/16/483540416.db2.gz IWONTZYILGTTDL-RDBSUJKOSA-N 0 3 359.492 -0.132 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CC[C@@H](C)C1 ZINC000530821059 483540244 /nfs/dbraw/zinc/54/02/44/483540244.db2.gz NPDMGFHQUCKFBJ-CYBMUJFWSA-N 0 3 362.496 -0.722 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CC[C@H](C)C1 ZINC000530821060 483540528 /nfs/dbraw/zinc/54/05/28/483540528.db2.gz NPDMGFHQUCKFBJ-ZDUSSCGKSA-N 0 3 362.496 -0.722 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CC1=O ZINC000530823243 483541306 /nfs/dbraw/zinc/54/13/06/483541306.db2.gz RGRCZUFGHFCGBX-KRWDZBQOSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(CC3CCOCC3)CC2)CC1=O ZINC000530823246 483540222 /nfs/dbraw/zinc/54/02/22/483540222.db2.gz RGRCZUFGHFCGBX-QGZVFWFLSA-N 0 3 366.506 -0.033 20 0 FBADHN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530823670 483539503 /nfs/dbraw/zinc/53/95/03/483539503.db2.gz LELOBISQWJZUHK-DOTOQJQBSA-N 0 3 367.471 -0.227 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530823672 483539164 /nfs/dbraw/zinc/53/91/64/483539164.db2.gz LELOBISQWJZUHK-NVXWUHKLSA-N 0 3 367.471 -0.227 20 0 FBADHN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530823673 483539071 /nfs/dbraw/zinc/53/90/71/483539071.db2.gz LELOBISQWJZUHK-RDJZCZTQSA-N 0 3 367.471 -0.227 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530823674 483538635 /nfs/dbraw/zinc/53/86/35/483538635.db2.gz LELOBISQWJZUHK-WBVHZDCISA-N 0 3 367.471 -0.227 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000530895318 483557489 /nfs/dbraw/zinc/55/74/89/483557489.db2.gz SLULFIJJKFLVQE-INIZCTEOSA-N 0 3 357.524 -0.113 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000530895324 483558185 /nfs/dbraw/zinc/55/81/85/483558185.db2.gz SLULFIJJKFLVQE-MRXNPFEDSA-N 0 3 357.524 -0.113 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000530947839 483563807 /nfs/dbraw/zinc/56/38/07/483563807.db2.gz KLHLVDDHRVYFKR-AWEZNQCLSA-N 0 3 363.462 -0.301 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000530947841 483563242 /nfs/dbraw/zinc/56/32/42/483563242.db2.gz KLHLVDDHRVYFKR-CQSZACIVSA-N 0 3 363.462 -0.301 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000530963051 483613764 /nfs/dbraw/zinc/61/37/64/483613764.db2.gz WOVGMGYCIWWDHT-SJORKVTESA-N 0 3 365.522 -0.223 20 0 FBADHN CN1CCC[C@H](CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000531006526 483832487 /nfs/dbraw/zinc/83/24/87/483832487.db2.gz HHCAMVYAGNYIGH-CYBMUJFWSA-N 0 3 351.451 -0.539 20 0 FBADHN CN1CCC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000531006527 483832727 /nfs/dbraw/zinc/83/27/27/483832727.db2.gz HHCAMVYAGNYIGH-ZDUSSCGKSA-N 0 3 351.451 -0.539 20 0 FBADHN C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000531012660 483832568 /nfs/dbraw/zinc/83/25/68/483832568.db2.gz RXMKJUMHFFPJRT-CHWSQXEVSA-N 0 3 368.525 -0.777 20 0 FBADHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000531012665 483832451 /nfs/dbraw/zinc/83/24/51/483832451.db2.gz RXMKJUMHFFPJRT-OLZOCXBDSA-N 0 3 368.525 -0.777 20 0 FBADHN C[C@H]1C[C@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000531012667 483832578 /nfs/dbraw/zinc/83/25/78/483832578.db2.gz RXMKJUMHFFPJRT-QWHCGFSZSA-N 0 3 368.525 -0.777 20 0 FBADHN C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000531012668 483832495 /nfs/dbraw/zinc/83/24/95/483832495.db2.gz RXMKJUMHFFPJRT-STQMWFEESA-N 0 3 368.525 -0.777 20 0 FBADHN CCN1CCN(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000531046502 483835002 /nfs/dbraw/zinc/83/50/02/483835002.db2.gz KBZDXELZWOEOJG-UHFFFAOYSA-N 0 3 354.476 -0.022 20 0 FBADHN CS(=O)(=O)NCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531052068 483836030 /nfs/dbraw/zinc/83/60/30/483836030.db2.gz SDRPFKOXCVPYDS-INIZCTEOSA-N 0 3 355.460 -0.321 20 0 FBADHN CS(=O)(=O)NCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531052069 483836092 /nfs/dbraw/zinc/83/60/92/483836092.db2.gz SDRPFKOXCVPYDS-MRXNPFEDSA-N 0 3 355.460 -0.321 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000531052581 483835895 /nfs/dbraw/zinc/83/58/95/483835895.db2.gz SAYZLZRYWYWKFK-UHFFFAOYSA-N 0 3 365.522 -0.219 20 0 FBADHN CC(=O)N[C@@H](CC(=O)NCc1cccc(OCCN(C)C)c1)C(N)=O ZINC000531053138 483835901 /nfs/dbraw/zinc/83/59/01/483835901.db2.gz ABDQKRFJZNKNJN-HNNXBMFYSA-N 0 3 350.419 -0.377 20 0 FBADHN O=C(NCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)c1cnccn1 ZINC000531053683 483836086 /nfs/dbraw/zinc/83/60/86/483836086.db2.gz FBLJVXKNAFHGBS-IBGZPJMESA-N 0 3 369.425 -0.040 20 0 FBADHN O=C(NCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)c1cnccn1 ZINC000531053684 483835827 /nfs/dbraw/zinc/83/58/27/483835827.db2.gz FBLJVXKNAFHGBS-LJQANCHMSA-N 0 3 369.425 -0.040 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531054750 483835811 /nfs/dbraw/zinc/83/58/11/483835811.db2.gz YBCTUHYCYMBHRL-IBGZPJMESA-N 0 3 361.442 -0.059 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531054751 483836660 /nfs/dbraw/zinc/83/66/60/483836660.db2.gz YBCTUHYCYMBHRL-LJQANCHMSA-N 0 3 361.442 -0.059 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1=O ZINC000531057048 483836716 /nfs/dbraw/zinc/83/67/16/483836716.db2.gz LKNZBMAGKILFLI-INIZCTEOSA-N 0 3 362.478 -0.526 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1=O ZINC000531057050 483836595 /nfs/dbraw/zinc/83/65/95/483836595.db2.gz LKNZBMAGKILFLI-MRXNPFEDSA-N 0 3 362.478 -0.526 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000531077307 483839905 /nfs/dbraw/zinc/83/99/05/483839905.db2.gz UORVTDRQEDSRQP-UHFFFAOYSA-N 0 3 363.528 -0.455 20 0 FBADHN CC(=O)N1CC[C@](C)(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000531088339 483840818 /nfs/dbraw/zinc/84/08/18/483840818.db2.gz ANSXJAJRPVGCPV-KRWDZBQOSA-N 0 3 364.450 -0.242 20 0 FBADHN CC(=O)N1CC[C@@](C)(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000531088343 483840602 /nfs/dbraw/zinc/84/06/02/483840602.db2.gz ANSXJAJRPVGCPV-QGZVFWFLSA-N 0 3 364.450 -0.242 20 0 FBADHN CCn1c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2[nH]c(=O)c1=O ZINC000531097663 483842808 /nfs/dbraw/zinc/84/28/08/483842808.db2.gz SUFIZNSEIHSFKL-UHFFFAOYSA-N 0 3 360.414 -0.104 20 0 FBADHN COC(=O)c1cn(CC(=O)Nc2cnccc2N2CCN(C)CC2)nn1 ZINC000531100415 483843372 /nfs/dbraw/zinc/84/33/72/483843372.db2.gz VNYQHMBPBJJQEH-UHFFFAOYSA-N 0 3 359.390 -0.150 20 0 FBADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCOCC1 ZINC000531105148 485074837 /nfs/dbraw/zinc/07/48/37/485074837.db2.gz YUIMIKYYNAKTGL-UHFFFAOYSA-N 0 3 368.478 -0.900 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000531108990 484322086 /nfs/dbraw/zinc/32/20/86/484322086.db2.gz CXXUPQIGGYUWAT-GFCCVEGCSA-N 0 3 353.427 -0.401 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000531108991 484321857 /nfs/dbraw/zinc/32/18/57/484321857.db2.gz CXXUPQIGGYUWAT-LBPRGKRZSA-N 0 3 353.427 -0.401 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000531109115 484271997 /nfs/dbraw/zinc/27/19/97/484271997.db2.gz KXEVYBODNGPQJF-CYBMUJFWSA-N 0 3 367.454 -0.419 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000531109116 484271256 /nfs/dbraw/zinc/27/12/56/484271256.db2.gz KXEVYBODNGPQJF-ZDUSSCGKSA-N 0 3 367.454 -0.419 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000531118705 483899463 /nfs/dbraw/zinc/89/94/63/483899463.db2.gz XDVJZHRSXOYMCU-KRWDZBQOSA-N 0 3 353.467 -0.341 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000531118706 483899280 /nfs/dbraw/zinc/89/92/80/483899280.db2.gz XDVJZHRSXOYMCU-QGZVFWFLSA-N 0 3 353.467 -0.341 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000531118939 483905280 /nfs/dbraw/zinc/90/52/80/483905280.db2.gz OYZJJBGIVPWWTQ-UHFFFAOYSA-N 0 3 359.496 -0.170 20 0 FBADHN CCS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000531119045 483910650 /nfs/dbraw/zinc/91/06/50/483910650.db2.gz WEIZNPXCPNJHRS-UHFFFAOYSA-N 0 3 362.540 0.000 20 0 FBADHN C[C@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)CN1CCN(C)CC1 ZINC000531124785 483918398 /nfs/dbraw/zinc/91/83/98/483918398.db2.gz IHGMVLKMAHROJL-GFCCVEGCSA-N 0 3 357.480 -0.714 20 0 FBADHN C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)CN1CCN(C)CC1 ZINC000531124786 483919315 /nfs/dbraw/zinc/91/93/15/483919315.db2.gz IHGMVLKMAHROJL-LBPRGKRZSA-N 0 3 357.480 -0.714 20 0 FBADHN CN(C)[C@@]1(CNC(=O)NCCN2CCCS2(=O)=O)CCSC1 ZINC000531133287 483988141 /nfs/dbraw/zinc/98/81/41/483988141.db2.gz ICGKOUODNSFZKS-CYBMUJFWSA-N 0 3 350.510 -0.242 20 0 FBADHN CN(C)[C@]1(CNC(=O)NCCN2CCCS2(=O)=O)CCSC1 ZINC000531133294 483988413 /nfs/dbraw/zinc/98/84/13/483988413.db2.gz ICGKOUODNSFZKS-ZDUSSCGKSA-N 0 3 350.510 -0.242 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN(CC(C)(C)O)C2CCOCC2)cn1 ZINC000531177460 484400227 /nfs/dbraw/zinc/40/02/27/484400227.db2.gz QZIVSPRGYHKAJC-UHFFFAOYSA-N 0 3 360.480 -0.050 20 0 FBADHN 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364.450 -0.308 20 0 FBADHN COC(=O)c1cn(CC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nn1 ZINC000531831590 484037930 /nfs/dbraw/zinc/03/79/30/484037930.db2.gz LCDGICZRJXVAFT-CQSZACIVSA-N 0 3 364.450 -0.308 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000531846329 484040961 /nfs/dbraw/zinc/04/09/61/484040961.db2.gz ZHDRNVLZEXLKFS-HNNXBMFYSA-N 0 3 360.524 -0.056 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000531846330 484040759 /nfs/dbraw/zinc/04/07/59/484040759.db2.gz ZHDRNVLZEXLKFS-OAHLLOKOSA-N 0 3 360.524 -0.056 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000531879953 483681608 /nfs/dbraw/zinc/68/16/08/483681608.db2.gz LIAIETMHFYDXNK-INIZCTEOSA-N 0 3 368.526 -0.572 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000531879954 483681489 /nfs/dbraw/zinc/68/14/89/483681489.db2.gz LIAIETMHFYDXNK-MRXNPFEDSA-N 0 3 368.526 -0.572 20 0 FBADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1C(=O)CCC1=O ZINC000531987364 483877319 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FBADHN C[C@@H]1COCCN1CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000531997064 483877834 /nfs/dbraw/zinc/87/78/34/483877834.db2.gz FCGZTKIGRPDBPD-HZPDHXFCSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H]1COCCN1CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000531997065 483878017 /nfs/dbraw/zinc/87/80/17/483878017.db2.gz FCGZTKIGRPDBPD-JKSUJKDBSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000532020211 483878453 /nfs/dbraw/zinc/87/84/53/483878453.db2.gz XZXFEDPMUXEJKD-GFCCVEGCSA-N 0 3 350.423 -0.632 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000532020212 483878404 /nfs/dbraw/zinc/87/84/04/483878404.db2.gz XZXFEDPMUXEJKD-LBPRGKRZSA-N 0 3 350.423 -0.632 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000532036362 483879448 /nfs/dbraw/zinc/87/94/48/483879448.db2.gz DTUTVZUGYOIMIK-INIZCTEOSA-N 0 3 355.479 -0.217 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000532036363 483879248 /nfs/dbraw/zinc/87/92/48/483879248.db2.gz 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FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000532725553 484495668 /nfs/dbraw/zinc/49/56/68/484495668.db2.gz FFSGIKSVLNPGHJ-KGLIPLIRSA-N 0 3 361.512 -0.797 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000532725554 484495421 /nfs/dbraw/zinc/49/54/21/484495421.db2.gz FFSGIKSVLNPGHJ-UONOGXRCSA-N 0 3 361.512 -0.797 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000532725555 484494845 /nfs/dbraw/zinc/49/48/45/484494845.db2.gz FFSGIKSVLNPGHJ-ZIAGYGMSSA-N 0 3 361.512 -0.797 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000532805772 484498641 /nfs/dbraw/zinc/49/86/41/484498641.db2.gz NRGJUEVRHAVBIE-AWEZNQCLSA-N 0 3 374.507 -0.816 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000532805773 484498610 /nfs/dbraw/zinc/49/86/10/484498610.db2.gz NRGJUEVRHAVBIE-CQSZACIVSA-N 0 3 374.507 -0.816 20 0 FBADHN C[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)S(C)(=O)=O ZINC000532809576 484499050 /nfs/dbraw/zinc/49/90/50/484499050.db2.gz GXPUDACBDXCUNM-CYBMUJFWSA-N 0 3 360.480 -0.631 20 0 FBADHN C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)S(C)(=O)=O ZINC000532809577 484498983 /nfs/dbraw/zinc/49/89/83/484498983.db2.gz GXPUDACBDXCUNM-ZDUSSCGKSA-N 0 3 360.480 -0.631 20 0 FBADHN COCCN(CCN(C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000532815532 484500521 /nfs/dbraw/zinc/50/05/21/484500521.db2.gz YVICFAWKCQKDTO-UHFFFAOYSA-N 0 3 364.512 -0.122 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)S(C)(=O)=O)CC1=O ZINC000532823631 484500052 /nfs/dbraw/zinc/50/00/52/484500052.db2.gz CVAPMMKGKAZPRV-BFHYXJOUSA-N 0 3 359.492 -0.132 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)S(C)(=O)=O)CC1=O ZINC000532823636 484499519 /nfs/dbraw/zinc/49/95/19/484499519.db2.gz CVAPMMKGKAZPRV-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)S(C)(=O)=O)CC1=O ZINC000532823638 484499989 /nfs/dbraw/zinc/49/99/89/484499989.db2.gz CVAPMMKGKAZPRV-MELADBBJSA-N 0 3 359.492 -0.132 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)S(C)(=O)=O)CC1=O ZINC000532823640 484500086 /nfs/dbraw/zinc/50/00/86/484500086.db2.gz CVAPMMKGKAZPRV-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000532891421 484546884 /nfs/dbraw/zinc/54/68/84/484546884.db2.gz ZDEUJNJMKCKSGJ-GFCCVEGCSA-N 0 3 354.432 -0.175 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000532891422 484546969 /nfs/dbraw/zinc/54/69/69/484546969.db2.gz ZDEUJNJMKCKSGJ-LBPRGKRZSA-N 0 3 354.432 -0.175 20 0 FBADHN CCS(=O)(=O)NCC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000532891503 484547621 /nfs/dbraw/zinc/54/76/21/484547621.db2.gz MCVABYMBNRKVDF-UHFFFAOYSA-N 0 3 351.469 -0.342 20 0 FBADHN CC(C)N(CCO)CC(=O)N1CCN(C(=O)CN(CCO)C(C)C)CC1 ZINC000532929999 484632234 /nfs/dbraw/zinc/63/22/34/484632234.db2.gz DPDWPBOKKJYRPL-UHFFFAOYSA-N 0 3 372.510 -0.937 20 0 FBADHN COCCn1c(N)c(C(=O)CN2CCC[C@@H](N(C)C)C2)c(=O)[nH]c1=O ZINC000532953088 485164132 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CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000532997094 485165635 /nfs/dbraw/zinc/16/56/35/485165635.db2.gz YTTWMSXWLJFAQM-STQMWFEESA-N 0 3 364.450 -0.053 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)n1 ZINC000532997370 484100081 /nfs/dbraw/zinc/10/00/81/484100081.db2.gz ZWFCKJLTJKKGRF-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CCn1nccc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000532997371 485165568 /nfs/dbraw/zinc/16/55/68/485165568.db2.gz ZZJVFAXYWSORLT-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN CCn1nccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000532997372 485165392 /nfs/dbraw/zinc/16/53/92/485165392.db2.gz ZZJVFAXYWSORLT-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@H](C)N1CCOCC1 ZINC000532998244 484126125 /nfs/dbraw/zinc/12/61/25/484126125.db2.gz DYWLIENJVDZAEW-KBPBESRZSA-N 0 3 366.466 -0.391 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@H](C)N1CCOCC1 ZINC000532998253 484478582 /nfs/dbraw/zinc/47/85/82/484478582.db2.gz DYWLIENJVDZAEW-KGLIPLIRSA-N 0 3 366.466 -0.391 20 0 FBADHN C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)N1CCOCC1 ZINC000532998255 484140573 /nfs/dbraw/zinc/14/05/73/484140573.db2.gz DYWLIENJVDZAEW-UONOGXRCSA-N 0 3 366.466 -0.391 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@@H](C)N1CCOCC1 ZINC000532998257 484478416 /nfs/dbraw/zinc/47/84/16/484478416.db2.gz DYWLIENJVDZAEW-ZIAGYGMSSA-N 0 3 366.466 -0.391 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCOC[C@H]2CCCO2)n1 ZINC000533002975 484099844 /nfs/dbraw/zinc/09/98/44/484099844.db2.gz YIRGWALISFTAGW-CYBMUJFWSA-N 0 3 353.423 -0.305 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)n1 ZINC000533002976 484100096 /nfs/dbraw/zinc/10/00/96/484100096.db2.gz YIRGWALISFTAGW-ZDUSSCGKSA-N 0 3 353.423 -0.305 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)n1 ZINC000533004419 483757685 /nfs/dbraw/zinc/75/76/85/483757685.db2.gz FWQXEVRFQIKGQA-UHFFFAOYSA-N 0 3 350.423 -0.455 20 0 FBADHN CC(C)[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000533023781 485075005 /nfs/dbraw/zinc/07/50/05/485075005.db2.gz BORPYAGHWCJUOB-KRWDZBQOSA-N 0 3 366.506 -0.033 20 0 FBADHN CC(C)[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000533023782 485074807 /nfs/dbraw/zinc/07/48/07/485074807.db2.gz BORPYAGHWCJUOB-QGZVFWFLSA-N 0 3 366.506 -0.033 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000533024889 485166981 /nfs/dbraw/zinc/16/69/81/485166981.db2.gz IXVHIXFLFOBCRY-OAHLLOKOSA-N 0 3 365.478 -0.007 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533056972 485166451 /nfs/dbraw/zinc/16/64/51/485166451.db2.gz BKNGBALSQXCGAT-HNNXBMFYSA-N 0 3 358.508 -0.257 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533056980 485166737 /nfs/dbraw/zinc/16/67/37/485166737.db2.gz BKNGBALSQXCGAT-OAHLLOKOSA-N 0 3 358.508 -0.257 20 0 FBADHN C[C@@H](C1CC1)N(C)S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000533094789 485176728 /nfs/dbraw/zinc/17/67/28/485176728.db2.gz 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485178531 /nfs/dbraw/zinc/17/85/31/485178531.db2.gz RPUHOTAPCCKSOC-GOSISDBHSA-N 0 3 362.430 -0.037 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000533109615 485177843 /nfs/dbraw/zinc/17/78/43/485177843.db2.gz RPUHOTAPCCKSOC-SFHVURJKSA-N 0 3 362.430 -0.037 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C1CC1 ZINC000533119270 485186189 /nfs/dbraw/zinc/18/61/89/485186189.db2.gz WDFNOGPERROGTK-INIZCTEOSA-N 0 3 360.458 -0.082 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000533119423 485186521 /nfs/dbraw/zinc/18/65/21/485186521.db2.gz PYUMVLRDABKIIW-CQSZACIVSA-N 0 3 363.528 -0.455 20 0 FBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCN(C)C(C)C)c1=O ZINC000533154832 485190510 /nfs/dbraw/zinc/19/05/10/485190510.db2.gz UFQMEEIXMSQJDM-UHFFFAOYSA-N 0 3 366.418 -0.194 20 0 FBADHN CN(C)C[C@@H](O)COc1ccc(NC(=O)CCNS(C)(=O)=O)cc1 ZINC000533186498 485191047 /nfs/dbraw/zinc/19/10/47/485191047.db2.gz QUVXEOZNQGYPPB-CYBMUJFWSA-N 0 3 359.448 -0.134 20 0 FBADHN CN(C)C[C@H](O)COc1ccc(NC(=O)CCNS(C)(=O)=O)cc1 ZINC000533186499 485191706 /nfs/dbraw/zinc/19/17/06/485191706.db2.gz QUVXEOZNQGYPPB-ZDUSSCGKSA-N 0 3 359.448 -0.134 20 0 FBADHN Cn1nnc2cc(CN[C@H]3CC(=O)N(CCN4CCOCC4)C3)ccc21 ZINC000533253292 485195817 /nfs/dbraw/zinc/19/58/17/485195817.db2.gz YYVZPWGMATWFLH-HNNXBMFYSA-N 0 3 358.446 -0.009 20 0 FBADHN Cn1nnc2cc(CN[C@@H]3CC(=O)N(CCN4CCOCC4)C3)ccc21 ZINC000533253293 485195987 /nfs/dbraw/zinc/19/59/87/485195987.db2.gz YYVZPWGMATWFLH-OAHLLOKOSA-N 0 3 358.446 -0.009 20 0 FBADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NC(=O)NC1CCCC1 ZINC000533271935 485197076 /nfs/dbraw/zinc/19/70/76/485197076.db2.gz NRYQNVIIFYUUII-UHFFFAOYSA-N 0 3 365.478 -0.005 20 0 FBADHN CCCn1c(N)c(C(=O)CN2CCC(N(C)CCO)CC2)c(=O)[nH]c1=O ZINC000533276555 485199088 /nfs/dbraw/zinc/19/90/88/485199088.db2.gz AEBBNAIOIKAZMX-UHFFFAOYSA-N 0 3 367.450 -0.488 20 0 FBADHN CC[C@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000533287188 485198080 /nfs/dbraw/zinc/19/80/80/485198080.db2.gz WAJRXOYNAVUFDW-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN CC[C@@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000533287189 485198150 /nfs/dbraw/zinc/19/81/50/485198150.db2.gz WAJRXOYNAVUFDW-MRXNPFEDSA-N 0 3 352.479 -0.136 20 0 FBADHN C[C@@H]1C[C@H](C)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000533296249 485199241 /nfs/dbraw/zinc/19/92/41/485199241.db2.gz XJPSTDITRPJUAI-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@H]1C[C@H](C)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000533296250 485199366 /nfs/dbraw/zinc/19/93/66/485199366.db2.gz XJPSTDITRPJUAI-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H]1C[C@@H](C)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000533296251 485199208 /nfs/dbraw/zinc/19/92/08/485199208.db2.gz XJPSTDITRPJUAI-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN C[C@@H]1C[C@H](C)CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000533296252 485199050 /nfs/dbraw/zinc/19/90/50/485199050.db2.gz XJPSTDITRPJUAI-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000533317329 484273331 /nfs/dbraw/zinc/27/33/31/484273331.db2.gz CDYXGPXZADYBAA-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000533317330 484272840 /nfs/dbraw/zinc/27/28/40/484272840.db2.gz CDYXGPXZADYBAA-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)n1 ZINC000533318387 484099731 /nfs/dbraw/zinc/09/97/31/484099731.db2.gz XOYRSQGJWWKKOG-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000533318801 483757034 /nfs/dbraw/zinc/75/70/34/483757034.db2.gz GBFWTPNDMUVXAX-CYBMUJFWSA-N 0 3 352.439 -0.780 20 0 FBADHN C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000533318802 483761419 /nfs/dbraw/zinc/76/14/19/483761419.db2.gz GBFWTPNDMUVXAX-ZDUSSCGKSA-N 0 3 352.439 -0.780 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)n1 ZINC000533319820 484097129 /nfs/dbraw/zinc/09/71/29/484097129.db2.gz UPGFTIQQDRSORL-CYBMUJFWSA-N 0 3 364.450 -0.113 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)n1 ZINC000533319821 484097550 /nfs/dbraw/zinc/09/75/50/484097550.db2.gz UPGFTIQQDRSORL-ZDUSSCGKSA-N 0 3 364.450 -0.113 20 0 FBADHN COC(=O)Cn1cc(CCN2CCCC[C@H]2CCNS(C)(=O)=O)nn1 ZINC000533321797 485202001 /nfs/dbraw/zinc/20/20/01/485202001.db2.gz WNNXISLRUJCWBW-AWEZNQCLSA-N 0 3 373.479 -0.213 20 0 FBADHN COC(=O)Cn1cc(CCN2CCCC[C@@H]2CCNS(C)(=O)=O)nn1 ZINC000533321798 485201262 /nfs/dbraw/zinc/20/12/62/485201262.db2.gz WNNXISLRUJCWBW-CQSZACIVSA-N 0 3 373.479 -0.213 20 0 FBADHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1=O ZINC000533321826 483763184 /nfs/dbraw/zinc/76/31/84/483763184.db2.gz BEKCFMAHHQBNRZ-GFCCVEGCSA-N 0 3 350.423 -0.491 20 0 FBADHN CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1=O ZINC000533321827 483763135 /nfs/dbraw/zinc/76/31/35/483763135.db2.gz BEKCFMAHHQBNRZ-LBPRGKRZSA-N 0 3 350.423 -0.491 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCO1 ZINC000533322256 485202145 /nfs/dbraw/zinc/20/21/45/485202145.db2.gz FLUUWUPLXSPFRK-KBPBESRZSA-N 0 3 365.434 -0.353 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CCO1 ZINC000533322257 485201881 /nfs/dbraw/zinc/20/18/81/485201881.db2.gz FLUUWUPLXSPFRK-KGLIPLIRSA-N 0 3 365.434 -0.353 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCO1 ZINC000533322258 485201833 /nfs/dbraw/zinc/20/18/33/485201833.db2.gz FLUUWUPLXSPFRK-UONOGXRCSA-N 0 3 365.434 -0.353 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CCO1 ZINC000533322259 485201701 /nfs/dbraw/zinc/20/17/01/485201701.db2.gz FLUUWUPLXSPFRK-ZIAGYGMSSA-N 0 3 365.434 -0.353 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCNC(=O)C(C)(C)C)n1 ZINC000533323638 484099924 /nfs/dbraw/zinc/09/99/24/484099924.db2.gz FMYHIDCTBIVBDV-UHFFFAOYSA-N 0 3 352.439 -0.338 20 0 FBADHN CO[C@H]1CCN(CC(=O)N2CCN(C(=O)CN3CC[C@H](OC)C3)CC2)C1 ZINC000533341902 485203459 /nfs/dbraw/zinc/20/34/59/485203459.db2.gz SJPQZEBGLDMSPU-HOTGVXAUSA-N 0 3 368.478 -0.901 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000533352259 485204243 /nfs/dbraw/zinc/20/42/43/485204243.db2.gz GUBAKAGHDKCCMH-KKUMJFAQSA-N 0 3 350.481 -0.196 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000533352260 485203939 /nfs/dbraw/zinc/20/39/39/485203939.db2.gz GUBAKAGHDKCCMH-RRFJBIMHSA-N 0 3 350.481 -0.196 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000533352261 485204206 /nfs/dbraw/zinc/20/42/06/485204206.db2.gz GUBAKAGHDKCCMH-SOUVJXGZSA-N 0 3 350.481 -0.196 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000533352262 485203901 /nfs/dbraw/zinc/20/39/01/485203901.db2.gz GUBAKAGHDKCCMH-ZNMIVQPWSA-N 0 3 350.481 -0.196 20 0 FBADHN COCCn1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)cn1 ZINC000533362229 485204489 /nfs/dbraw/zinc/20/44/89/485204489.db2.gz YZVWRUOTBSLCBO-UHFFFAOYSA-N 0 3 359.496 -0.165 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(CCC(=O)N(C)CC(=O)OC)CC1 ZINC000533385078 483434121 /nfs/dbraw/zinc/43/41/21/483434121.db2.gz YAZLPFKJPFJVOI-UHFFFAOYSA-N 0 3 363.480 -0.246 20 0 FBADHN CC[C@H](C)CN(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000533423562 483451353 /nfs/dbraw/zinc/45/13/53/483451353.db2.gz MMZSZBVSLFWWAR-INIZCTEOSA-N 0 3 354.495 -0.033 20 0 FBADHN CC[C@@H](C)CN(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000533423572 483451691 /nfs/dbraw/zinc/45/16/91/483451691.db2.gz MMZSZBVSLFWWAR-MRXNPFEDSA-N 0 3 354.495 -0.033 20 0 FBADHN CC(CN(C)CC(=O)N1CCOCC1)CN(C)CC(=O)N1CCOCC1 ZINC000533424053 483451050 /nfs/dbraw/zinc/45/10/50/483451050.db2.gz OTTFVXLROBVJFW-UHFFFAOYSA-N 0 3 370.494 -0.796 20 0 FBADHN COC[C@H]1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533425868 483451679 /nfs/dbraw/zinc/45/16/79/483451679.db2.gz KFAJCWJBTSVMPV-AWEZNQCLSA-N 0 3 355.460 -0.039 20 0 FBADHN COC[C@@H]1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533425874 483450982 /nfs/dbraw/zinc/45/09/82/483450982.db2.gz KFAJCWJBTSVMPV-CQSZACIVSA-N 0 3 355.460 -0.039 20 0 FBADHN CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCC1 ZINC000533435745 483453939 /nfs/dbraw/zinc/45/39/39/483453939.db2.gz BQZROZORDIWDLS-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN CCN1CCC(N(C)CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)CC1 ZINC000533447438 483456555 /nfs/dbraw/zinc/45/65/55/483456555.db2.gz ARMSVLKBLMSLPQ-UHFFFAOYSA-N 0 3 367.450 -0.224 20 0 FBADHN CCC(=O)N1CC[C@@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000533450536 483456837 /nfs/dbraw/zinc/45/68/37/483456837.db2.gz ZNABCNUBHAUWQZ-CYBMUJFWSA-N 0 3 364.450 -0.242 20 0 FBADHN CCC(=O)N1CC[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000533450537 483456712 /nfs/dbraw/zinc/45/67/12/483456712.db2.gz ZNABCNUBHAUWQZ-ZDUSSCGKSA-N 0 3 364.450 -0.242 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)n1 ZINC000533455258 484098710 /nfs/dbraw/zinc/09/87/10/484098710.db2.gz WKNYGIYVKVCQNL-UHFFFAOYSA-N 0 3 364.450 -0.052 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cn1 ZINC000533455436 483458954 /nfs/dbraw/zinc/45/89/54/483458954.db2.gz NGEDEECJXWWRMN-AWEZNQCLSA-N 0 3 362.434 -0.346 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1 ZINC000533455437 483458781 /nfs/dbraw/zinc/45/87/81/483458781.db2.gz NGEDEECJXWWRMN-CQSZACIVSA-N 0 3 362.434 -0.346 20 0 FBADHN CCn1nccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000533457306 483458684 /nfs/dbraw/zinc/45/86/84/483458684.db2.gz VYEGAKIYUYEEFP-UHFFFAOYSA-N 0 3 362.434 -0.392 20 0 FBADHN CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000533457581 484271181 /nfs/dbraw/zinc/27/11/81/484271181.db2.gz KCOGIEZHKWLKST-UHFFFAOYSA-N 0 3 364.450 -0.146 20 0 FBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000533457701 484151891 /nfs/dbraw/zinc/15/18/91/484151891.db2.gz ROBMDBANDSTYSK-UHFFFAOYSA-N 0 3 364.450 -0.290 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)n1 ZINC000533466661 484101872 /nfs/dbraw/zinc/10/18/72/484101872.db2.gz AGWJDOMXXOVXSX-CYBMUJFWSA-N 0 3 363.418 -0.056 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)n1 ZINC000533466662 484099903 /nfs/dbraw/zinc/09/99/03/484099903.db2.gz AGWJDOMXXOVXSX-ZDUSSCGKSA-N 0 3 363.418 -0.056 20 0 FBADHN CN(C)CCN1C(=O)C[C@H](N2CCC(N3CCCNC3=O)CC2)C1=O ZINC000533495806 483465887 /nfs/dbraw/zinc/46/58/87/483465887.db2.gz DHDFHZJKESZAME-AWEZNQCLSA-N 0 3 351.451 -0.445 20 0 FBADHN CN(C)CCN1C(=O)C[C@@H](N2CCC(N3CCCNC3=O)CC2)C1=O ZINC000533495807 483465991 /nfs/dbraw/zinc/46/59/91/483465991.db2.gz DHDFHZJKESZAME-CQSZACIVSA-N 0 3 351.451 -0.445 20 0 FBADHN CCN(C1CCN(CCC(=O)N(C)CC(=O)OC)CC1)S(C)(=O)=O ZINC000533522216 483479980 /nfs/dbraw/zinc/47/99/80/483479980.db2.gz GFECJROASYOUDR-UHFFFAOYSA-N 0 3 363.480 -0.246 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000533528036 483481370 /nfs/dbraw/zinc/48/13/70/483481370.db2.gz JNBXOCCWRKEZNQ-AAEUAGOBSA-N 0 3 350.510 -0.243 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000533528037 483481789 /nfs/dbraw/zinc/48/17/89/483481789.db2.gz JNBXOCCWRKEZNQ-DGCLKSJQSA-N 0 3 350.510 -0.243 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000533528038 483481957 /nfs/dbraw/zinc/48/19/57/483481957.db2.gz JNBXOCCWRKEZNQ-WCQYABFASA-N 0 3 350.510 -0.243 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000533528039 483481440 /nfs/dbraw/zinc/48/14/40/483481440.db2.gz JNBXOCCWRKEZNQ-YPMHNXCESA-N 0 3 350.510 -0.243 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000533539733 483486639 /nfs/dbraw/zinc/48/66/39/483486639.db2.gz QDOJHQDPECKGMP-DLBZAZTESA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000533539734 483487026 /nfs/dbraw/zinc/48/70/26/483487026.db2.gz QDOJHQDPECKGMP-IAGOWNOFSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000533539735 483487175 /nfs/dbraw/zinc/48/71/75/483487175.db2.gz QDOJHQDPECKGMP-IRXDYDNUSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000533539736 483486819 /nfs/dbraw/zinc/48/68/19/483486819.db2.gz QDOJHQDPECKGMP-SJORKVTESA-N 0 3 366.506 -0.033 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000533543890 483486844 /nfs/dbraw/zinc/48/68/44/483486844.db2.gz MPJXZLDEJURPKV-GOSISDBHSA-N 0 3 373.413 -0.296 20 0 FBADHN COC(=O)Cn1cc(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000533543891 483487796 /nfs/dbraw/zinc/48/77/96/483487796.db2.gz MPJXZLDEJURPKV-SFHVURJKSA-N 0 3 373.413 -0.296 20 0 FBADHN Cc1nc(NCCNc2cnccn2)cc(NCCNc2cnccn2)n1 ZINC000533560014 483490334 /nfs/dbraw/zinc/49/03/34/483490334.db2.gz ORLRLAXJBKOLTO-UHFFFAOYSA-N 0 3 366.433 -0.321 20 0 FBADHN Cc1nc(N2CCN3C(=O)NC[C@@H]3C2)cc(N2CCN3C(=O)NC[C@H]3C2)n1 ZINC000533560157 483490825 /nfs/dbraw/zinc/49/08/25/483490825.db2.gz CZIKMZXWDDIWMQ-BETUJISGSA-N 0 3 372.433 -0.787 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000533568425 483490806 /nfs/dbraw/zinc/49/08/06/483490806.db2.gz PNKHVPYVKNUPAK-GOSISDBHSA-N 0 3 364.446 -0.110 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000533568426 483490500 /nfs/dbraw/zinc/49/05/00/483490500.db2.gz PNKHVPYVKNUPAK-SFHVURJKSA-N 0 3 364.446 -0.110 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)ccc1-n1cnnn1 ZINC000533568720 483490862 /nfs/dbraw/zinc/49/08/62/483490862.db2.gz MYXKJXYSJAURRJ-INIZCTEOSA-N 0 3 361.406 -0.662 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)ccc1-n1cnnn1 ZINC000533568721 483489829 /nfs/dbraw/zinc/48/98/29/483489829.db2.gz MYXKJXYSJAURRJ-MRXNPFEDSA-N 0 3 361.406 -0.662 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cccc1-n1cnnn1 ZINC000533568736 483490839 /nfs/dbraw/zinc/49/08/39/483490839.db2.gz YJKFGVIFNRBLPB-INIZCTEOSA-N 0 3 361.406 -0.662 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cccc1-n1cnnn1 ZINC000533568737 483490717 /nfs/dbraw/zinc/49/07/17/483490717.db2.gz YJKFGVIFNRBLPB-MRXNPFEDSA-N 0 3 361.406 -0.662 20 0 FBADHN CCOC(=O)Cn1cccc(NC(=O)NCC2(O)CCN(C)CC2)c1=O ZINC000533619575 483506175 /nfs/dbraw/zinc/50/61/75/483506175.db2.gz YLOTVOALJROYPO-UHFFFAOYSA-N 0 3 366.418 -0.010 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(OCCO)CC2)C1 ZINC000533800635 483627816 /nfs/dbraw/zinc/62/78/16/483627816.db2.gz BNIXDYOPYWMDFC-KRWDZBQOSA-N 0 3 357.495 -0.067 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(OCCO)CC2)C1 ZINC000533800649 483627143 /nfs/dbraw/zinc/62/71/43/483627143.db2.gz BNIXDYOPYWMDFC-QGZVFWFLSA-N 0 3 357.495 -0.067 20 0 FBADHN O=C(NCCNc1ccncc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000533811739 483686834 /nfs/dbraw/zinc/68/68/34/483686834.db2.gz ISNJOSNGRGAYHQ-GXTWGEPZSA-N 0 3 366.443 -0.933 20 0 FBADHN O=C(NCCNc1ccncc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000533811744 483686689 /nfs/dbraw/zinc/68/66/89/483686689.db2.gz ISNJOSNGRGAYHQ-JSGCOSHPSA-N 0 3 366.443 -0.933 20 0 FBADHN O=C(NCCNc1ccncc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000533811745 483686547 /nfs/dbraw/zinc/68/65/47/483686547.db2.gz ISNJOSNGRGAYHQ-OCCSQVGLSA-N 0 3 366.443 -0.933 20 0 FBADHN O=C(NCCNc1ccncc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000533811746 483686738 /nfs/dbraw/zinc/68/67/38/483686738.db2.gz ISNJOSNGRGAYHQ-TZMCWYRMSA-N 0 3 366.443 -0.933 20 0 FBADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NCCNc1ccncc1 ZINC000533812486 483686481 /nfs/dbraw/zinc/68/64/81/483686481.db2.gz RWBHRFMIDWJNRA-UHFFFAOYSA-N 0 3 359.434 -0.001 20 0 FBADHN Cc1cc(C(=O)NCCNc2ccncc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000533815403 483723721 /nfs/dbraw/zinc/72/37/21/483723721.db2.gz RWTAKODODWWHAP-UHFFFAOYSA-N 0 3 368.397 -0.401 20 0 FBADHN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000533818235 483748608 /nfs/dbraw/zinc/74/86/08/483748608.db2.gz FSDYQKXZCCUMNS-CYBMUJFWSA-N 0 3 374.507 -0.673 20 0 FBADHN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000533818236 483748886 /nfs/dbraw/zinc/74/88/86/483748886.db2.gz FSDYQKXZCCUMNS-ZDUSSCGKSA-N 0 3 374.507 -0.673 20 0 FBADHN CS(=O)(=O)N1CCC(CNC(=O)NCCNc2ccncc2)CC1 ZINC000533818432 483752122 /nfs/dbraw/zinc/75/21/22/483752122.db2.gz OFUZBURWONYARS-UHFFFAOYSA-N 0 3 355.464 -0.114 20 0 FBADHN COc1cc(NC(=O)C(=O)NCCN(C)C)ccc1S(=O)(=O)N(C)C ZINC000533838800 483834029 /nfs/dbraw/zinc/83/40/29/483834029.db2.gz PZZHZKZAJNXZHK-UHFFFAOYSA-N 0 3 372.447 -0.438 20 0 FBADHN CCN1CCN(CCCNC(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000533870029 483834502 /nfs/dbraw/zinc/83/45/02/483834502.db2.gz SFDODUUYYBALID-UHFFFAOYSA-N 0 3 359.434 -0.414 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000533871559 483834564 /nfs/dbraw/zinc/83/45/64/483834564.db2.gz DEIYAWBXJRLANA-CYBMUJFWSA-N 0 3 373.461 -0.168 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000533871560 483834447 /nfs/dbraw/zinc/83/44/47/483834447.db2.gz DEIYAWBXJRLANA-ZDUSSCGKSA-N 0 3 373.461 -0.168 20 0 FBADHN COCC(=O)N(C)CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000533906730 484269686 /nfs/dbraw/zinc/26/96/86/484269686.db2.gz JPXKLJXGJZRAGE-UHFFFAOYSA-N 0 3 364.446 -0.301 20 0 FBADHN CC(C)C[C@H](NS(=O)(=O)N1CCOCC1)C(=O)NCCN(C)C ZINC000533925002 484342673 /nfs/dbraw/zinc/34/26/73/484342673.db2.gz JNACRICQSAPSIG-ZDUSSCGKSA-N 0 3 350.485 -0.755 20 0 FBADHN COC(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)nc1 ZINC000533930965 483456253 /nfs/dbraw/zinc/45/62/53/483456253.db2.gz FDCGYGQZLCJEGO-UHFFFAOYSA-N 0 3 364.446 -0.012 20 0 FBADHN CCn1cc(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cn1 ZINC000533936896 483548174 /nfs/dbraw/zinc/54/81/74/483548174.db2.gz OLRWVNHFZWAHTF-UHFFFAOYSA-N 0 3 361.406 -0.401 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)NCCN(C)C ZINC000533977747 484023301 /nfs/dbraw/zinc/02/33/01/484023301.db2.gz QXUYYLUJSCOIDF-KBPBESRZSA-N 0 3 355.483 -0.001 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)NCCN(C)C ZINC000533977748 484023194 /nfs/dbraw/zinc/02/31/94/484023194.db2.gz QXUYYLUJSCOIDF-KGLIPLIRSA-N 0 3 355.483 -0.001 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@H]1CCCN(C)C1=O)C(=O)NCCN(C)C ZINC000533981048 484023993 /nfs/dbraw/zinc/02/39/93/484023993.db2.gz GXPHCSUJSGKDFL-KBPBESRZSA-N 0 3 355.483 -0.001 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@@H]1CCCN(C)C1=O)C(=O)NCCN(C)C ZINC000533981049 484024856 /nfs/dbraw/zinc/02/48/56/484024856.db2.gz GXPHCSUJSGKDFL-KGLIPLIRSA-N 0 3 355.483 -0.001 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1CCC(=O)NC1=O)C(=O)NCCN(C)C ZINC000534050165 484026149 /nfs/dbraw/zinc/02/61/49/484026149.db2.gz BVONFXKLLIIXFC-LBPRGKRZSA-N 0 3 355.439 -0.863 20 0 FBADHN CC(C)C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)NCCN(C)C ZINC000534051738 484026520 /nfs/dbraw/zinc/02/65/20/484026520.db2.gz YZSZBTNPNANPFM-LBPRGKRZSA-N 0 3 353.423 -0.842 20 0 FBADHN CC(C)C[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)NCCN(C)C ZINC000534052405 484026459 /nfs/dbraw/zinc/02/64/59/484026459.db2.gz JNIXVAQMRACZNZ-ZDUSSCGKSA-N 0 3 354.451 -0.266 20 0 FBADHN CC(C)C[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)NCCN(C)C ZINC000534052642 484026511 /nfs/dbraw/zinc/02/65/11/484026511.db2.gz LYIHEFVMKMLKDG-LBPRGKRZSA-N 0 3 350.485 -0.914 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000534056446 484026317 /nfs/dbraw/zinc/02/63/17/484026317.db2.gz XJORLDYFLMOAGE-UHFFFAOYSA-N 0 3 368.434 -0.290 20 0 FBADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000534063834 484026582 /nfs/dbraw/zinc/02/65/82/484026582.db2.gz OSYMPVFDDILDNC-GFCCVEGCSA-N 0 3 351.407 -0.008 20 0 FBADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000534063835 484025965 /nfs/dbraw/zinc/02/59/65/484025965.db2.gz OSYMPVFDDILDNC-LBPRGKRZSA-N 0 3 351.407 -0.008 20 0 FBADHN O=C1NC(=O)C2(CCN(C[C@@H](O)COc3ccc4c(c3)OCO4)CC2)N1 ZINC000534101000 484028541 /nfs/dbraw/zinc/02/85/41/484028541.db2.gz AYNGXHNBBFBPLO-LLVKDONJSA-N 0 3 363.370 -0.171 20 0 FBADHN O=C1NC(=O)C2(CCN(C[C@H](O)COc3ccc4c(c3)OCO4)CC2)N1 ZINC000534101001 484027786 /nfs/dbraw/zinc/02/77/86/484027786.db2.gz AYNGXHNBBFBPLO-NSHDSACASA-N 0 3 363.370 -0.171 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)NCCN(C)C)c1 ZINC000534215237 484033502 /nfs/dbraw/zinc/03/35/02/484033502.db2.gz LCRULJAAGFAYRD-UHFFFAOYSA-N 0 3 358.464 -0.028 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)NCCN2C(=O)CNC2=O)ccn1 ZINC000534225806 484032957 /nfs/dbraw/zinc/03/29/57/484032957.db2.gz HKWSUNYXONLFBZ-UHFFFAOYSA-N 0 3 364.406 -0.627 20 0 FBADHN COC(=O)CCN(C)S(=O)(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000534241957 484036081 /nfs/dbraw/zinc/03/60/81/484036081.db2.gz SXKYLPGKOUFSPL-UHFFFAOYSA-N 0 3 374.463 -0.149 20 0 FBADHN CN(C)Cc1ccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000534255934 484037063 /nfs/dbraw/zinc/03/70/63/484037063.db2.gz IXOHMJHVIGRXOR-UHFFFAOYSA-N 0 3 368.503 -0.058 20 0 FBADHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000534272053 484037994 /nfs/dbraw/zinc/03/79/94/484037994.db2.gz OEYRWFVPFYNNQN-IHRRRGAJSA-N 0 3 351.451 -0.399 20 0 FBADHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000534272054 484036539 /nfs/dbraw/zinc/03/65/39/484036539.db2.gz OEYRWFVPFYNNQN-MCIONIFRSA-N 0 3 351.451 -0.399 20 0 FBADHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000534272055 484036990 /nfs/dbraw/zinc/03/69/90/484036990.db2.gz OEYRWFVPFYNNQN-MJBXVCDLSA-N 0 3 351.451 -0.399 20 0 FBADHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000534272055 484036983 /nfs/dbraw/zinc/03/69/83/484036983.db2.gz OEYRWFVPFYNNQN-MJBXVCDLSA-N 0 3 351.451 -0.399 20 0 FBADHN C[C@@H](O)C(=O)N1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000534294924 484039026 /nfs/dbraw/zinc/03/90/26/484039026.db2.gz YNUZSAATLGPKBM-BEFAXECRSA-N 0 3 361.442 -0.325 20 0 FBADHN C[C@@H](O)C(=O)N1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000534294928 484039057 /nfs/dbraw/zinc/03/90/57/484039057.db2.gz YNUZSAATLGPKBM-DNVCBOLYSA-N 0 3 361.442 -0.325 20 0 FBADHN C[C@H](O)C(=O)N1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000534294929 484039948 /nfs/dbraw/zinc/03/99/48/484039948.db2.gz YNUZSAATLGPKBM-HNAYVOBHSA-N 0 3 361.442 -0.325 20 0 FBADHN C[C@H](O)C(=O)N1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000534294933 484039449 /nfs/dbraw/zinc/03/94/49/484039449.db2.gz YNUZSAATLGPKBM-KXBFYZLASA-N 0 3 361.442 -0.325 20 0 FBADHN O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000534307362 484040510 /nfs/dbraw/zinc/04/05/10/484040510.db2.gz UGWZRKUIMVBTBS-HNNXBMFYSA-N 0 3 359.430 -0.539 20 0 FBADHN O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000534307363 484040347 /nfs/dbraw/zinc/04/03/47/484040347.db2.gz UGWZRKUIMVBTBS-OAHLLOKOSA-N 0 3 359.430 -0.539 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1C ZINC000534327909 483761535 /nfs/dbraw/zinc/76/15/35/483761535.db2.gz GGZMBXLMFYZLFM-LLVKDONJSA-N 0 3 350.423 -0.666 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1C ZINC000534327910 483761325 /nfs/dbraw/zinc/76/13/25/483761325.db2.gz GGZMBXLMFYZLFM-NSHDSACASA-N 0 3 350.423 -0.666 20 0 FBADHN C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)S(C)(=O)=O ZINC000534351384 484044038 /nfs/dbraw/zinc/04/40/38/484044038.db2.gz BCHSSCGAUAFBES-CHWSQXEVSA-N 0 3 360.480 -0.633 20 0 FBADHN C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)S(C)(=O)=O ZINC000534351385 484044272 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COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000534357268 484044195 /nfs/dbraw/zinc/04/41/95/484044195.db2.gz VCZGRPOZWDEWEU-QGZVFWFLSA-N 0 3 351.403 -0.037 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCNc1cc[nH+]cc1 ZINC000534522355 483870453 /nfs/dbraw/zinc/87/04/53/483870453.db2.gz WXAXLYCCVFNRSC-UHFFFAOYSA-N 0 3 368.191 -0.243 20 0 FBADHN O=C(NCCNc1ccncc1)NCCS(=O)(=O)NCC1CCC1 ZINC000534525520 483870374 /nfs/dbraw/zinc/87/03/74/483870374.db2.gz ZFRPMJUWMCEZJK-UHFFFAOYSA-N 0 3 355.464 -0.066 20 0 FBADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCNc2ccncc2)cc1 ZINC000534525792 483870547 /nfs/dbraw/zinc/87/05/47/483870547.db2.gz BPXADVINCWAFAK-UHFFFAOYSA-N 0 3 371.397 -0.205 20 0 FBADHN O=C(NCCNc1ccncc1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000534525929 483870241 /nfs/dbraw/zinc/87/02/41/483870241.db2.gz GJFYSJRRTRIMGP-UHFFFAOYSA-N 0 3 352.358 -0.354 20 0 FBADHN O=C(NCCNc1ccncc1)C(=O)Nc1cccnc1N1CCOCC1 ZINC000534526185 483870203 /nfs/dbraw/zinc/87/02/03/483870203.db2.gz NPQMORLWFLASTR-UHFFFAOYSA-N 0 3 370.413 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CN(CCCCN(C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000535006257 483876488 /nfs/dbraw/zinc/87/64/88/483876488.db2.gz MMPHHKYCRKBLRA-UHFFFAOYSA-N 0 3 370.494 -0.652 20 0 FBADHN C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000535021186 483876895 /nfs/dbraw/zinc/87/68/95/483876895.db2.gz SCMMYKFCHKSZSI-KBPBESRZSA-N 0 3 365.478 -0.199 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000535021193 483876844 /nfs/dbraw/zinc/87/68/44/483876844.db2.gz SCMMYKFCHKSZSI-KGLIPLIRSA-N 0 3 365.478 -0.199 20 0 FBADHN C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000535021194 483877311 /nfs/dbraw/zinc/87/73/11/483877311.db2.gz SCMMYKFCHKSZSI-UONOGXRCSA-N 0 3 365.478 -0.199 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000535021195 483877329 /nfs/dbraw/zinc/87/73/29/483877329.db2.gz SCMMYKFCHKSZSI-ZIAGYGMSSA-N 0 3 365.478 -0.199 20 0 FBADHN COCCN1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1=O ZINC000535074333 483877673 /nfs/dbraw/zinc/87/76/73/483877673.db2.gz KHEISKUSUPSCMV-UHFFFAOYSA-N 0 3 355.483 -0.486 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000535079376 483878145 /nfs/dbraw/zinc/87/81/45/483878145.db2.gz LIJYOCKHZUTQHF-KBPBESRZSA-N 0 3 363.480 -0.808 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000535079377 483878081 /nfs/dbraw/zinc/87/80/81/483878081.db2.gz LIJYOCKHZUTQHF-KGLIPLIRSA-N 0 3 363.480 -0.808 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000535079378 483878133 /nfs/dbraw/zinc/87/81/33/483878133.db2.gz LIJYOCKHZUTQHF-UONOGXRCSA-N 0 3 363.480 -0.808 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000535079379 483877842 /nfs/dbraw/zinc/87/78/42/483877842.db2.gz LIJYOCKHZUTQHF-ZIAGYGMSSA-N 0 3 363.480 -0.808 20 0 FBADHN CN(C)CCn1cc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1=O ZINC000535137009 483878497 /nfs/dbraw/zinc/87/84/97/483878497.db2.gz HFQKVRRYTMEHCU-UHFFFAOYSA-N 0 3 367.431 -0.352 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000535146722 483877887 /nfs/dbraw/zinc/87/78/87/483877887.db2.gz IKCINSCPNGOEJY-UHFFFAOYSA-N 0 3 358.464 -0.151 20 0 FBADHN Cn1c(C(=O)NCCNc2ccncc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000535255994 483879372 /nfs/dbraw/zinc/87/93/72/483879372.db2.gz ZLXBIVKZYAFKLK-UHFFFAOYSA-N 0 3 356.386 -0.766 20 0 FBADHN CN1C(=O)c2ccc(NC(=O)C(=O)NCCNc3ccncc3)cc2C1=O ZINC000535260430 483879469 /nfs/dbraw/zinc/87/94/69/483879469.db2.gz HYXCXGHGBLGGRD-UHFFFAOYSA-N 0 3 367.365 -0.104 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H](CO)c1cnn(C)c1 ZINC000535310350 483893641 /nfs/dbraw/zinc/89/36/41/483893641.db2.gz ITOQRSFIPPTXGU-CABCVRRESA-N 0 3 366.466 -0.305 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000535310351 483893494 /nfs/dbraw/zinc/89/34/94/483893494.db2.gz ITOQRSFIPPTXGU-GJZGRUSLSA-N 0 3 366.466 -0.305 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H](CO)c1cnn(C)c1 ZINC000535310352 483893596 /nfs/dbraw/zinc/89/35/96/483893596.db2.gz ITOQRSFIPPTXGU-HUUCEWRRSA-N 0 3 366.466 -0.305 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000535310353 483893556 /nfs/dbraw/zinc/89/35/56/483893556.db2.gz ITOQRSFIPPTXGU-LSDHHAIUSA-N 0 3 366.466 -0.305 20 0 FBADHN CCS(=O)(=O)N1CCC(NC(=O)NCCN(C)CCOC)CC1 ZINC000535330881 483894068 /nfs/dbraw/zinc/89/40/68/483894068.db2.gz XLQXXDYDIWLIGQ-UHFFFAOYSA-N 0 3 350.485 -0.322 20 0 FBADHN CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(C)(CO)CO ZINC000535378430 483894414 /nfs/dbraw/zinc/89/44/14/483894414.db2.gz JGRPJXZOXAAELR-UHFFFAOYSA-N 0 3 359.448 -0.415 20 0 FBADHN COc1ncnc(OC)c1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535380241 483894792 /nfs/dbraw/zinc/89/47/92/483894792.db2.gz CMQWZESBLSVIIV-UHFFFAOYSA-N 0 3 367.450 -0.386 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000535380317 483894919 /nfs/dbraw/zinc/89/49/19/483894919.db2.gz IJJIFPPNRLFJJK-HNNXBMFYSA-N 0 3 352.479 -0.496 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000535380318 483895259 /nfs/dbraw/zinc/89/52/59/483895259.db2.gz IJJIFPPNRLFJJK-OAHLLOKOSA-N 0 3 352.479 -0.496 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCN(C)C ZINC000535399784 483895722 /nfs/dbraw/zinc/89/57/22/483895722.db2.gz DTSKJUORZLGFKS-OLZOCXBDSA-N 0 3 362.496 -0.435 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCN(C)C ZINC000535399785 483895523 /nfs/dbraw/zinc/89/55/23/483895523.db2.gz DTSKJUORZLGFKS-STQMWFEESA-N 0 3 362.496 -0.435 20 0 FBADHN CC(C)C[C@H](NC(=O)NCCN1C(=O)CCC1=O)C(=O)NCCN(C)C ZINC000535425879 483896135 /nfs/dbraw/zinc/89/61/35/483896135.db2.gz NFVHFYIOMIHJLE-ZDUSSCGKSA-N 0 3 369.466 -0.473 20 0 FBADHN CC(C)C[C@H](NC(=O)NC[C@@H]1CN(C)CCN1C)C(=O)NCCN(C)C ZINC000535428129 483896267 /nfs/dbraw/zinc/89/62/67/483896267.db2.gz ZJNZYNVTISZJPG-CVEARBPZSA-N 0 3 370.542 -0.376 20 0 FBADHN CC(C)C[C@H](NC(=O)NC[C@H]1CN(C)CCN1C)C(=O)NCCN(C)C ZINC000535428130 483896069 /nfs/dbraw/zinc/89/60/69/483896069.db2.gz ZJNZYNVTISZJPG-HOTGVXAUSA-N 0 3 370.542 -0.376 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@H](C)CS(C)(=O)=O)C(=O)NCCN(C)C ZINC000535428440 483896302 /nfs/dbraw/zinc/89/63/02/483896302.db2.gz NQVSGFDKHVRHKY-OLZOCXBDSA-N 0 3 364.512 -0.189 20 0 FBADHN CC(C)C[C@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(=O)NCCN(C)C ZINC000535428441 483896022 /nfs/dbraw/zinc/89/60/22/483896022.db2.gz NQVSGFDKHVRHKY-STQMWFEESA-N 0 3 364.512 -0.189 20 0 FBADHN CC(C)C[C@H](NC(=O)NCc1cc(C(N)=O)no1)C(=O)NCCN(C)C ZINC000535429198 483896289 /nfs/dbraw/zinc/89/62/89/483896289.db2.gz VAGZGWWHMZZWNT-ZDUSSCGKSA-N 0 3 368.438 -0.335 20 0 FBADHN CC(C)C[C@H](NC(=O)NC[C@@H](C)S(C)(=O)=O)C(=O)NCCN(C)C ZINC000535429534 483895805 /nfs/dbraw/zinc/89/58/05/483895805.db2.gz IOCWOEQIIMWIKN-OLZOCXBDSA-N 0 3 364.512 -0.189 20 0 FBADHN CC(C)C[C@H](NC(=O)NC[C@H](C)S(C)(=O)=O)C(=O)NCCN(C)C ZINC000535429535 483895477 /nfs/dbraw/zinc/89/54/77/483895477.db2.gz IOCWOEQIIMWIKN-STQMWFEESA-N 0 3 364.512 -0.189 20 0 FBADHN CC(C)C[C@H](NC(=O)NCCc1ncn(C)n1)C(=O)NCCN(C)C ZINC000535430573 483895504 /nfs/dbraw/zinc/89/55/04/483895504.db2.gz NFPNCANOYNOQBV-ZDUSSCGKSA-N 0 3 353.471 -0.251 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)NCCN(C)C ZINC000535498460 483898266 /nfs/dbraw/zinc/89/82/66/483898266.db2.gz FLQCOCCPBOXUNB-LBPRGKRZSA-N 0 3 369.466 -0.475 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)NCCN(C)C ZINC000535498559 483898481 /nfs/dbraw/zinc/89/84/81/483898481.db2.gz GMXYFRXKJMTIOT-LBPRGKRZSA-N 0 3 355.439 -0.911 20 0 FBADHN CC(C)C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(=O)NCC[NH+](C)C ZINC000535498806 483898254 /nfs/dbraw/zinc/89/82/54/483898254.db2.gz JRKZCYZVTVOEFD-VIFPVBQESA-N 0 3 354.411 -0.708 20 0 FBADHN CC(C)C[C@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)NCCN(C)C ZINC000535499431 483898415 /nfs/dbraw/zinc/89/84/15/483898415.db2.gz IKFXPSZQGKZNDQ-HNNXBMFYSA-N 0 3 370.494 -0.166 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(F)(F)F)n1 ZINC000535552013 484101693 /nfs/dbraw/zinc/10/16/93/484101693.db2.gz PVFJQTLQAVYWIM-GFCCVEGCSA-N 0 3 351.329 -0.187 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)n1 ZINC000535552014 484101812 /nfs/dbraw/zinc/10/18/12/484101812.db2.gz PVFJQTLQAVYWIM-LBPRGKRZSA-N 0 3 351.329 -0.187 20 0 FBADHN NC(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000535601181 484112485 /nfs/dbraw/zinc/11/24/85/484112485.db2.gz DVVBRFMNLKUPNB-UHFFFAOYSA-N 0 3 360.418 -0.048 20 0 FBADHN NC(=O)c1cccc(NC(=O)NCCCCN2CCN(CCO)CC2)n1 ZINC000535611470 484116004 /nfs/dbraw/zinc/11/60/04/484116004.db2.gz DJPDFNZDNXQKJS-UHFFFAOYSA-N 0 3 364.450 -0.308 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535632135 484116505 /nfs/dbraw/zinc/11/65/05/484116505.db2.gz QSABTBZZBKAMEI-CVEARBPZSA-N 0 3 369.487 -0.075 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535632136 484115843 /nfs/dbraw/zinc/11/58/43/484115843.db2.gz QSABTBZZBKAMEI-HOTGVXAUSA-N 0 3 369.487 -0.075 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535632137 484116788 /nfs/dbraw/zinc/11/67/88/484116788.db2.gz QSABTBZZBKAMEI-HZPDHXFCSA-N 0 3 369.487 -0.075 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535632139 484115924 /nfs/dbraw/zinc/11/59/24/484115924.db2.gz QSABTBZZBKAMEI-JKSUJKDBSA-N 0 3 369.487 -0.075 20 0 FBADHN NC(=O)Cn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nn1 ZINC000535633318 484116178 /nfs/dbraw/zinc/11/61/78/484116178.db2.gz ZXPYDFQHCSTWTO-CABCVRRESA-N 0 3 372.429 -0.624 20 0 FBADHN NC(=O)Cn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nn1 ZINC000535633323 484116078 /nfs/dbraw/zinc/11/60/78/484116078.db2.gz ZXPYDFQHCSTWTO-GJZGRUSLSA-N 0 3 372.429 -0.624 20 0 FBADHN NC(=O)Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nn1 ZINC000535633324 484116618 /nfs/dbraw/zinc/11/66/18/484116618.db2.gz ZXPYDFQHCSTWTO-HUUCEWRRSA-N 0 3 372.429 -0.624 20 0 FBADHN NC(=O)Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nn1 ZINC000535633325 484116046 /nfs/dbraw/zinc/11/60/46/484116046.db2.gz ZXPYDFQHCSTWTO-LSDHHAIUSA-N 0 3 372.429 -0.624 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(O)c1)C(N)=O ZINC000535639851 484117279 /nfs/dbraw/zinc/11/72/79/484117279.db2.gz FWXQFSYIVYIRNP-HNNXBMFYSA-N 0 3 350.419 -0.338 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)ccn1 ZINC000535655086 484117241 /nfs/dbraw/zinc/11/72/41/484117241.db2.gz LOMSLFBHLRCYMM-KBPBESRZSA-N 0 3 365.434 -0.146 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)ccn1 ZINC000535655118 484118071 /nfs/dbraw/zinc/11/80/71/484118071.db2.gz LOMSLFBHLRCYMM-KGLIPLIRSA-N 0 3 365.434 -0.146 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)ccn1 ZINC000535655122 484118354 /nfs/dbraw/zinc/11/83/54/484118354.db2.gz LOMSLFBHLRCYMM-UONOGXRCSA-N 0 3 365.434 -0.146 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)ccn1 ZINC000535655125 484117627 /nfs/dbraw/zinc/11/76/27/484117627.db2.gz LOMSLFBHLRCYMM-ZIAGYGMSSA-N 0 3 365.434 -0.146 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)CCCN2C(=O)CNC2=O)ccn1 ZINC000535693788 484121890 /nfs/dbraw/zinc/12/18/90/484121890.db2.gz JQBYJDWQUUPNBV-UHFFFAOYSA-N 0 3 363.418 -0.030 20 0 FBADHN O=C(NCCNS(=O)(=O)c1ccccc1)[C@@H]1CN2CCN1CCC2 ZINC000535720774 484127066 /nfs/dbraw/zinc/12/70/66/484127066.db2.gz LUNDBFVPUFOPSW-HNNXBMFYSA-N 0 3 352.460 -0.529 20 0 FBADHN O=C(NCCNS(=O)(=O)c1ccccc1)[C@H]1CN2CCN1CCC2 ZINC000535720778 484127048 /nfs/dbraw/zinc/12/70/48/484127048.db2.gz LUNDBFVPUFOPSW-OAHLLOKOSA-N 0 3 352.460 -0.529 20 0 FBADHN Cc1cnc(N)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000535754488 484129808 /nfs/dbraw/zinc/12/98/08/484129808.db2.gz FFUCPEOBXCLIIT-UHFFFAOYSA-N 0 3 367.475 -0.099 20 0 FBADHN Cn1cc(C(=O)NCC2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)cn1 ZINC000535817599 484138266 /nfs/dbraw/zinc/13/82/66/484138266.db2.gz YNVIWQHAYHNXRS-UHFFFAOYSA-N 0 3 374.445 -0.541 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000535843435 484139822 /nfs/dbraw/zinc/13/98/22/484139822.db2.gz MRSCRHFGKGKBGQ-KRWDZBQOSA-N 0 3 351.403 -0.167 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 ZINC000535843436 484140533 /nfs/dbraw/zinc/14/05/33/484140533.db2.gz MRSCRHFGKGKBGQ-QGZVFWFLSA-N 0 3 351.403 -0.167 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H](C3CCOCC3)C2)CC1 ZINC000535874457 484142262 /nfs/dbraw/zinc/14/22/62/484142262.db2.gz DPCWQZCITDJCES-KRWDZBQOSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000535874478 484141342 /nfs/dbraw/zinc/14/13/42/484141342.db2.gz DPCWQZCITDJCES-QGZVFWFLSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)Cc1ccccc1 ZINC000536013722 484146862 /nfs/dbraw/zinc/14/68/62/484146862.db2.gz JWIAGVIVJBZMOW-HNNXBMFYSA-N 0 3 372.429 -0.404 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)Cc1ccccc1 ZINC000536013723 484147110 /nfs/dbraw/zinc/14/71/10/484147110.db2.gz JWIAGVIVJBZMOW-OAHLLOKOSA-N 0 3 372.429 -0.404 20 0 FBADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccncc2)cn1 ZINC000536018279 484148112 /nfs/dbraw/zinc/14/81/12/484148112.db2.gz OVHXGGHHGSIOAP-UHFFFAOYSA-N 0 3 363.399 -0.531 20 0 FBADHN Cc1cc(NC(=O)C(=O)NCCNc2ccncc2)ccc1-n1cnnn1 ZINC000536018980 484147892 /nfs/dbraw/zinc/14/78/92/484147892.db2.gz RUFQAYYHSOQQMC-UHFFFAOYSA-N 0 3 366.385 -0.046 20 0 FBADHN O=C(NCCNc1ccncc1)NCCN1CCN(c2ncccn2)CC1 ZINC000536019283 484148246 /nfs/dbraw/zinc/14/82/46/484148246.db2.gz VCZDGQYYZJGNKR-UHFFFAOYSA-N 0 3 370.461 -0.173 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCC(OCCO)CC1)c(=O)n2C ZINC000536037806 484149733 /nfs/dbraw/zinc/14/97/33/484149733.db2.gz AUKOUDQCDQMVQK-UHFFFAOYSA-N 0 3 365.434 -0.703 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN(CCO)C2CCCCC2)CC1 ZINC000536041551 484148138 /nfs/dbraw/zinc/14/81/38/484148138.db2.gz IBIPDPBWNJEPTE-UHFFFAOYSA-N 0 3 354.495 -0.154 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000536074612 484151345 /nfs/dbraw/zinc/15/13/45/484151345.db2.gz DSVLPHPCYFLMGS-GFCCVEGCSA-N 0 3 359.434 -0.416 20 0 FBADHN 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FBADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000536295377 483624527 /nfs/dbraw/zinc/62/45/27/483624527.db2.gz JACRSSPXVLXFKU-ZDUSSCGKSA-N 0 3 364.512 -0.523 20 0 FBADHN CC(C)C[C@H](NC(=O)CCNS(C)(=O)=O)C(=O)NCCN(C)C ZINC000536295698 483626706 /nfs/dbraw/zinc/62/67/06/483626706.db2.gz PEQWOMFSXJMJAC-LBPRGKRZSA-N 0 3 350.485 -0.866 20 0 FBADHN CC(C)C[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)NCCN(C)C ZINC000536297247 483624770 /nfs/dbraw/zinc/62/47/70/483624770.db2.gz LLXXVRMVTZKPGH-LBPRGKRZSA-N 0 3 353.423 -0.692 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)NCCN(C)C ZINC000536298256 483626821 /nfs/dbraw/zinc/62/68/21/483626821.db2.gz ZLKJLDFIIYZSLH-NEPJUHHUSA-N 0 3 350.485 -0.867 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C(=O)NCCN(C)C ZINC000536298257 483625843 /nfs/dbraw/zinc/62/58/43/483625843.db2.gz ZLKJLDFIIYZSLH-RYUDHWBXSA-N 0 3 350.485 -0.867 20 0 FBADHN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc21 ZINC000536341607 483630124 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NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000536534030 484304879 /nfs/dbraw/zinc/30/48/79/484304879.db2.gz UDZGLXNZZZZBBE-ZWKOTPCHSA-N 0 3 371.485 -0.253 20 0 FBADHN C[C@@]1(c2ccc(CNC(=O)[C@H]3CN4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000536537787 484310293 /nfs/dbraw/zinc/31/02/93/484310293.db2.gz IYQTWDGJZXWYTF-BEFAXECRSA-N 0 3 371.441 -0.253 20 0 FBADHN C[C@]1(c2ccc(CNC(=O)[C@H]3CN4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000536537788 484310120 /nfs/dbraw/zinc/31/01/20/484310120.db2.gz IYQTWDGJZXWYTF-DNVCBOLYSA-N 0 3 371.441 -0.253 20 0 FBADHN C[C@]1(c2ccc(CNC(=O)[C@@H]3CN4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000536537789 484309880 /nfs/dbraw/zinc/30/98/80/484309880.db2.gz IYQTWDGJZXWYTF-HNAYVOBHSA-N 0 3 371.441 -0.253 20 0 FBADHN C[C@@]1(c2ccc(CNC(=O)[C@@H]3CN4CCN3CCC4)cc2)NC(=O)NC1=O ZINC000536537790 484310686 /nfs/dbraw/zinc/31/06/86/484310686.db2.gz IYQTWDGJZXWYTF-KXBFYZLASA-N 0 3 371.441 -0.253 20 0 FBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CN3CCN1CCC3)CC2 ZINC000536542360 483684875 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FBADHN CN(CCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)c1ccncc1 ZINC000540927088 484609258 /nfs/dbraw/zinc/60/92/58/484609258.db2.gz CZUAGARCSWQFAB-CYBMUJFWSA-N 0 3 355.464 -0.060 20 0 FBADHN CN(CCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccncc1 ZINC000540927089 484609033 /nfs/dbraw/zinc/60/90/33/484609033.db2.gz CZUAGARCSWQFAB-ZDUSSCGKSA-N 0 3 355.464 -0.060 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000540927176 484609299 /nfs/dbraw/zinc/60/92/99/484609299.db2.gz BTLXRJRMECKLQZ-BBRMVZONSA-N 0 3 366.462 -0.971 20 0 FBADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000540927177 484609783 /nfs/dbraw/zinc/60/97/83/484609783.db2.gz BTLXRJRMECKLQZ-CJNGLKHVSA-N 0 3 366.462 -0.971 20 0 FBADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000540927178 484609627 /nfs/dbraw/zinc/60/96/27/484609627.db2.gz BTLXRJRMECKLQZ-CZUORRHYSA-N 0 3 366.462 -0.971 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000540927179 484609468 /nfs/dbraw/zinc/60/94/68/484609468.db2.gz BTLXRJRMECKLQZ-XJKSGUPXSA-N 0 3 366.462 -0.971 20 0 FBADHN C[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000540976479 484610859 /nfs/dbraw/zinc/61/08/59/484610859.db2.gz CKUSFPQDRCSFEO-CVEARBPZSA-N 0 3 366.510 -0.914 20 0 FBADHN C[C@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000540976481 484610174 /nfs/dbraw/zinc/61/01/74/484610174.db2.gz CKUSFPQDRCSFEO-HOTGVXAUSA-N 0 3 366.510 -0.914 20 0 FBADHN C[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@H]1N1CCN(C)CC1 ZINC000540976483 484610435 /nfs/dbraw/zinc/61/04/35/484610435.db2.gz CKUSFPQDRCSFEO-HZPDHXFCSA-N 0 3 366.510 -0.914 20 0 FBADHN C[C@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@H]1N1CCN(C)CC1 ZINC000540976484 484611196 /nfs/dbraw/zinc/61/11/96/484611196.db2.gz CKUSFPQDRCSFEO-JKSUJKDBSA-N 0 3 366.510 -0.914 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCCN3CCNC(=O)C3)C2)CC1 ZINC000540976531 484610800 /nfs/dbraw/zinc/61/08/00/484610800.db2.gz GQFLPEUOLBODAB-INIZCTEOSA-N 0 3 366.510 -0.772 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCCN3CCNC(=O)C3)C2)CC1 ZINC000540976533 484611052 /nfs/dbraw/zinc/61/10/52/484611052.db2.gz GQFLPEUOLBODAB-MRXNPFEDSA-N 0 3 366.510 -0.772 20 0 FBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000540983286 484610970 /nfs/dbraw/zinc/61/09/70/484610970.db2.gz NQQASYYAJLURPL-INIZCTEOSA-N 0 3 355.366 -0.020 20 0 FBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000540983287 484611108 /nfs/dbraw/zinc/61/11/08/484611108.db2.gz NQQASYYAJLURPL-MRXNPFEDSA-N 0 3 355.366 -0.020 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000540995470 484612387 /nfs/dbraw/zinc/61/23/87/484612387.db2.gz SKTGWGJYIOEAOD-KBPBESRZSA-N 0 3 369.466 -0.915 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000540995471 484612194 /nfs/dbraw/zinc/61/21/94/484612194.db2.gz SKTGWGJYIOEAOD-KGLIPLIRSA-N 0 3 369.466 -0.915 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000540995472 484611805 /nfs/dbraw/zinc/61/18/05/484611805.db2.gz SKTGWGJYIOEAOD-UONOGXRCSA-N 0 3 369.466 -0.915 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000540995473 484612175 /nfs/dbraw/zinc/61/21/75/484612175.db2.gz SKTGWGJYIOEAOD-ZIAGYGMSSA-N 0 3 369.466 -0.915 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)S(N)(=O)=O ZINC000541029102 484614173 /nfs/dbraw/zinc/61/41/73/484614173.db2.gz HUVFFEXBTNOWCL-GXTWGEPZSA-N 0 3 370.475 -0.931 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)S(N)(=O)=O ZINC000541029115 484614830 /nfs/dbraw/zinc/61/48/30/484614830.db2.gz HUVFFEXBTNOWCL-JSGCOSHPSA-N 0 3 370.475 -0.931 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)S(N)(=O)=O ZINC000541029116 484614339 /nfs/dbraw/zinc/61/43/39/484614339.db2.gz HUVFFEXBTNOWCL-OCCSQVGLSA-N 0 3 370.475 -0.931 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)S(N)(=O)=O ZINC000541029117 484614390 /nfs/dbraw/zinc/61/43/90/484614390.db2.gz HUVFFEXBTNOWCL-TZMCWYRMSA-N 0 3 370.475 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/nfs/dbraw/zinc/61/59/43/484615943.db2.gz QKARGUHVSGJRNH-YPMHNXCESA-N 0 3 362.496 -0.594 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1cccc(CN(C)C)c1)S(N)(=O)=O ZINC000541030863 484615956 /nfs/dbraw/zinc/61/59/56/484615956.db2.gz SRSQQXWOKHCIQV-LLVKDONJSA-N 0 3 356.448 -0.842 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(CN(C)C)c1)S(N)(=O)=O ZINC000541030864 484615455 /nfs/dbraw/zinc/61/54/55/484615455.db2.gz SRSQQXWOKHCIQV-NSHDSACASA-N 0 3 356.448 -0.842 20 0 FBADHN COC(=O)C1(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCOCC1 ZINC000541053503 484617007 /nfs/dbraw/zinc/61/70/07/484617007.db2.gz IXSPWUNZQDXOFB-CYBMUJFWSA-N 0 3 355.435 -0.518 20 0 FBADHN COC(=O)C1(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCOCC1 ZINC000541053509 484617367 /nfs/dbraw/zinc/61/73/67/484617367.db2.gz IXSPWUNZQDXOFB-ZDUSSCGKSA-N 0 3 355.435 -0.518 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC(CCCO)CC2)CC1 ZINC000541127640 484618692 /nfs/dbraw/zinc/61/86/92/484618692.db2.gz KVARXIDFJVTYQJ-UHFFFAOYSA-N 0 3 354.495 -0.297 20 0 FBADHN COc1c(NC(=O)C(=O)NCCNc2ccncc2)cccc1C(N)=O ZINC000541144354 484618431 /nfs/dbraw/zinc/61/84/31/484618431.db2.gz SIKMIRHHMUVYIB-UHFFFAOYSA-N 0 3 357.370 -0.222 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)C1(N2CCOCC2)CCC1 ZINC000541159422 484619697 /nfs/dbraw/zinc/61/96/97/484619697.db2.gz WXRCRXBZOMZYIZ-UHFFFAOYSA-N 0 3 368.522 -0.252 20 0 FBADHN O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000541164208 484620124 /nfs/dbraw/zinc/62/01/24/484620124.db2.gz ZXKUTLSWEWKBRK-CABCVRRESA-N 0 3 360.414 -0.142 20 0 FBADHN O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000541164208 484620121 /nfs/dbraw/zinc/62/01/21/484620121.db2.gz ZXKUTLSWEWKBRK-CABCVRRESA-N 0 3 360.414 -0.142 20 0 FBADHN O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000541164209 484620093 /nfs/dbraw/zinc/62/00/93/484620093.db2.gz ZXKUTLSWEWKBRK-GJZGRUSLSA-N 0 3 360.414 -0.142 20 0 FBADHN O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000541164209 484620090 /nfs/dbraw/zinc/62/00/90/484620090.db2.gz ZXKUTLSWEWKBRK-GJZGRUSLSA-N 0 3 360.414 -0.142 20 0 FBADHN O=S1(=O)C[C@H](NC2CCN(CC(F)F)CC2)[C@@H](N2CCOCC2)C1 ZINC000541249614 484620158 /nfs/dbraw/zinc/62/01/58/484620158.db2.gz PPODSPSXZRJEJF-KBPBESRZSA-N 0 3 367.462 -0.197 20 0 FBADHN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NC2CCN(CC(F)F)CC2)C1 ZINC000541249615 484619955 /nfs/dbraw/zinc/61/99/55/484619955.db2.gz PPODSPSXZRJEJF-KGLIPLIRSA-N 0 3 367.462 -0.197 20 0 FBADHN O=S1(=O)C[C@H](NC2CCN(CC(F)F)CC2)[C@H](N2CCOCC2)C1 ZINC000541249616 484619859 /nfs/dbraw/zinc/61/98/59/484619859.db2.gz PPODSPSXZRJEJF-UONOGXRCSA-N 0 3 367.462 -0.197 20 0 FBADHN O=S1(=O)C[C@@H](NC2CCN(CC(F)F)CC2)[C@H](N2CCOCC2)C1 ZINC000541249617 484619214 /nfs/dbraw/zinc/61/92/14/484619214.db2.gz PPODSPSXZRJEJF-ZIAGYGMSSA-N 0 3 367.462 -0.197 20 0 FBADHN Cc1ncc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(=O)[n-]1 ZINC000541323050 484621274 /nfs/dbraw/zinc/62/12/74/484621274.db2.gz AXIMCAPVIRWAHT-GFCCVEGCSA-N 0 3 350.423 -0.123 20 0 FBADHN Cc1ncc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(=O)[n-]1 ZINC000541323050 484621271 /nfs/dbraw/zinc/62/12/71/484621271.db2.gz AXIMCAPVIRWAHT-GFCCVEGCSA-N 0 3 350.423 -0.123 20 0 FBADHN Cc1ncc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(=O)[n-]1 ZINC000541323051 484621391 /nfs/dbraw/zinc/62/13/91/484621391.db2.gz AXIMCAPVIRWAHT-LBPRGKRZSA-N 0 3 350.423 -0.123 20 0 FBADHN Cc1ncc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(=O)[n-]1 ZINC000541323051 484621387 /nfs/dbraw/zinc/62/13/87/484621387.db2.gz AXIMCAPVIRWAHT-LBPRGKRZSA-N 0 3 350.423 -0.123 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000541324601 484620855 /nfs/dbraw/zinc/62/08/55/484620855.db2.gz LTYIEILDGKWGDV-BPUTZDHNSA-N 0 3 367.471 -0.305 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000541324605 484621457 /nfs/dbraw/zinc/62/14/57/484621457.db2.gz LTYIEILDGKWGDV-CWRNSKLLSA-N 0 3 367.471 -0.305 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 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ZINC000544461392 484693871 /nfs/dbraw/zinc/69/38/71/484693871.db2.gz KZBSPKSQYKMIMX-AWEZNQCLSA-N 0 3 356.467 -0.380 20 0 FBADHN CCN(CC(=O)NC(C)C)C(=O)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000544461393 484694799 /nfs/dbraw/zinc/69/47/99/484694799.db2.gz KZBSPKSQYKMIMX-CQSZACIVSA-N 0 3 356.467 -0.380 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CNC(C)(C)CC(N)=O)CC1 ZINC000544488256 484694320 /nfs/dbraw/zinc/69/43/20/484694320.db2.gz BRIXFESKZIYSDD-UHFFFAOYSA-N 0 3 355.483 -0.711 20 0 FBADHN CC(C)N(CCCNC(=O)CNC(C)(C)CC(N)=O)S(C)(=O)=O ZINC000544491256 484694859 /nfs/dbraw/zinc/69/48/59/484694859.db2.gz YUBROWJTKNUEIX-UHFFFAOYSA-N 0 3 350.485 -0.594 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cnc3c(c2)nnn3C)cn1 ZINC000544563114 484696800 /nfs/dbraw/zinc/69/68/00/484696800.db2.gz WUVNRTWBYUPDKI-UHFFFAOYSA-N 0 3 371.405 -0.510 20 0 FBADHN CC[C@@H]1C[C@@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC(=O)N1 ZINC000544563158 484696595 /nfs/dbraw/zinc/69/65/95/484696595.db2.gz YHTAOVNAIHOUMJ-CHWSQXEVSA-N 0 3 364.450 -0.196 20 0 FBADHN CC[C@H]1C[C@@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC(=O)N1 ZINC000544563160 484696814 /nfs/dbraw/zinc/69/68/14/484696814.db2.gz YHTAOVNAIHOUMJ-OLZOCXBDSA-N 0 3 364.450 -0.196 20 0 FBADHN CC[C@@H]1C[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC(=O)N1 ZINC000544563162 484697373 /nfs/dbraw/zinc/69/73/73/484697373.db2.gz YHTAOVNAIHOUMJ-QWHCGFSZSA-N 0 3 364.450 -0.196 20 0 FBADHN CC[C@H]1C[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC(=O)N1 ZINC000544563163 484696579 /nfs/dbraw/zinc/69/65/79/484696579.db2.gz YHTAOVNAIHOUMJ-STQMWFEESA-N 0 3 364.450 -0.196 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000544660606 484698319 /nfs/dbraw/zinc/69/83/19/484698319.db2.gz KJLREWXJCZCWJV-CVEARBPZSA-N 0 3 367.494 -0.345 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000544660607 484698531 /nfs/dbraw/zinc/69/85/31/484698531.db2.gz KJLREWXJCZCWJV-HOTGVXAUSA-N 0 3 367.494 -0.345 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000544660608 484698603 /nfs/dbraw/zinc/69/86/03/484698603.db2.gz KJLREWXJCZCWJV-HZPDHXFCSA-N 0 3 367.494 -0.345 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000544660609 484698226 /nfs/dbraw/zinc/69/82/26/484698226.db2.gz KJLREWXJCZCWJV-JKSUJKDBSA-N 0 3 367.494 -0.345 20 0 FBADHN CCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)ccc21 ZINC000544729293 484699943 /nfs/dbraw/zinc/69/99/43/484699943.db2.gz MYCBYJRRCFVNIL-AWEZNQCLSA-N 0 3 362.430 -0.037 20 0 FBADHN CCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)ccc21 ZINC000544729394 484699844 /nfs/dbraw/zinc/69/98/44/484699844.db2.gz MYCBYJRRCFVNIL-CQSZACIVSA-N 0 3 362.430 -0.037 20 0 FBADHN COC(=O)c1cn(C2CCN(C[C@H](O)CN3CCOCC3)CC2)nn1 ZINC000544760179 484701121 /nfs/dbraw/zinc/70/11/21/484701121.db2.gz PIKCRSHNWBXDLF-AWEZNQCLSA-N 0 3 353.423 -0.605 20 0 FBADHN COC(=O)c1cn(C2CCN(C[C@@H](O)CN3CCOCC3)CC2)nn1 ZINC000544760180 484700925 /nfs/dbraw/zinc/70/09/25/484700925.db2.gz PIKCRSHNWBXDLF-CQSZACIVSA-N 0 3 353.423 -0.605 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@]2(C)CO)CC1 ZINC000544761392 484701169 /nfs/dbraw/zinc/70/11/69/484701169.db2.gz JAUNDMJHVSLTPN-GOSISDBHSA-N 0 3 373.461 -0.141 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@@]2(C)CO)CC1 ZINC000544761393 484700645 /nfs/dbraw/zinc/70/06/45/484700645.db2.gz JAUNDMJHVSLTPN-SFHVURJKSA-N 0 3 373.461 -0.141 20 0 FBADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000544771414 484701301 /nfs/dbraw/zinc/70/13/01/484701301.db2.gz XWQPLOAZRIUXHB-CYBMUJFWSA-N 0 3 365.434 -0.423 20 0 FBADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000544771415 484701194 /nfs/dbraw/zinc/70/11/94/484701194.db2.gz XWQPLOAZRIUXHB-ZDUSSCGKSA-N 0 3 365.434 -0.423 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000544778020 484700781 /nfs/dbraw/zinc/70/07/81/484700781.db2.gz DULZXWSRZJLKOO-KBPBESRZSA-N 0 3 366.466 -0.794 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000544778021 484701412 /nfs/dbraw/zinc/70/14/12/484701412.db2.gz DULZXWSRZJLKOO-KGLIPLIRSA-N 0 3 366.466 -0.794 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000544778022 484701004 /nfs/dbraw/zinc/70/10/04/484701004.db2.gz DULZXWSRZJLKOO-UONOGXRCSA-N 0 3 366.466 -0.794 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000544778023 484701374 /nfs/dbraw/zinc/70/13/74/484701374.db2.gz DULZXWSRZJLKOO-ZIAGYGMSSA-N 0 3 366.466 -0.794 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000544899186 484704823 /nfs/dbraw/zinc/70/48/23/484704823.db2.gz RAGLFHHVWYKHGL-BARDWOONSA-N 0 3 367.450 -0.218 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000544899188 484705752 /nfs/dbraw/zinc/70/57/52/484705752.db2.gz RAGLFHHVWYKHGL-LXTVHRRPSA-N 0 3 367.450 -0.218 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)nn1 ZINC000544899189 484705878 /nfs/dbraw/zinc/70/58/78/484705878.db2.gz RAGLFHHVWYKHGL-TUVASFSCSA-N 0 3 367.450 -0.218 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)C2)nn1 ZINC000544899190 484705216 /nfs/dbraw/zinc/70/52/16/484705216.db2.gz RAGLFHHVWYKHGL-XQLPTFJDSA-N 0 3 367.450 -0.218 20 0 FBADHN CN(C)CCOc1cc(-c2noc(-c3cn(CC(N)=O)nn3)n2)ccn1 ZINC000545077369 484707374 /nfs/dbraw/zinc/70/73/74/484707374.db2.gz WGNDLIFVEHEBSV-UHFFFAOYSA-N 0 3 358.362 -0.184 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000545148404 484707078 /nfs/dbraw/zinc/70/70/78/484707078.db2.gz KPZNBFHCYNRFRA-GOSISDBHSA-N 0 3 360.414 -0.300 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000545148405 484706966 /nfs/dbraw/zinc/70/69/66/484706966.db2.gz KPZNBFHCYNRFRA-SFHVURJKSA-N 0 3 360.414 -0.300 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1F ZINC000545148764 484706536 /nfs/dbraw/zinc/70/65/36/484706536.db2.gz DPFFBTNITUAIKW-KRWDZBQOSA-N 0 3 369.393 -0.028 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1F ZINC000545148765 484707354 /nfs/dbraw/zinc/70/73/54/484707354.db2.gz DPFFBTNITUAIKW-QGZVFWFLSA-N 0 3 369.393 -0.028 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545149099 484707710 /nfs/dbraw/zinc/70/77/10/484707710.db2.gz JFYPSLKSJCFREC-KRWDZBQOSA-N 0 3 351.403 -0.167 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545149100 484706693 /nfs/dbraw/zinc/70/66/93/484706693.db2.gz JFYPSLKSJCFREC-QGZVFWFLSA-N 0 3 351.403 -0.167 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000545153562 484707482 /nfs/dbraw/zinc/70/74/82/484707482.db2.gz NKMZCXBJOYNFKS-HNNXBMFYSA-N 0 3 359.423 -0.323 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000545153563 484707439 /nfs/dbraw/zinc/70/74/39/484707439.db2.gz NKMZCXBJOYNFKS-OAHLLOKOSA-N 0 3 359.423 -0.323 20 0 FBADHN CC1=CCN(CCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000545153762 484707315 /nfs/dbraw/zinc/70/73/15/484707315.db2.gz VNAOMMRSJYNOOF-UHFFFAOYSA-N 0 3 374.445 -0.408 20 0 FBADHN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@]1(O)CCN(C)C1)C2=O ZINC000545153973 484706471 /nfs/dbraw/zinc/70/64/71/484706471.db2.gz CCSVZOFFGGCZPP-PDOTXMHQSA-N 0 3 352.435 -0.330 20 0 FBADHN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@]1(O)CCN(C)C1)C2=O ZINC000545153974 484707203 /nfs/dbraw/zinc/70/72/03/484707203.db2.gz CCSVZOFFGGCZPP-PTXATLKXSA-N 0 3 352.435 -0.330 20 0 FBADHN C[N@H+]1CC[C@@](O)(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000545154253 484707162 /nfs/dbraw/zinc/70/71/62/484707162.db2.gz GITYIJKJZXDYIZ-GFCCVEGCSA-N 0 3 367.880 -0.137 20 0 FBADHN C[N@@H+]1CC[C@@](O)(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000545154253 484707155 /nfs/dbraw/zinc/70/71/55/484707155.db2.gz GITYIJKJZXDYIZ-GFCCVEGCSA-N 0 3 367.880 -0.137 20 0 FBADHN C[N@H+]1CC[C@](O)(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000545154254 484707518 /nfs/dbraw/zinc/70/75/18/484707518.db2.gz GITYIJKJZXDYIZ-LBPRGKRZSA-N 0 3 367.880 -0.137 20 0 FBADHN C[N@@H+]1CC[C@](O)(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000545154254 484707513 /nfs/dbraw/zinc/70/75/13/484707513.db2.gz GITYIJKJZXDYIZ-LBPRGKRZSA-N 0 3 367.880 -0.137 20 0 FBADHN CN1CC[C@](O)(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000545154378 484706490 /nfs/dbraw/zinc/70/64/90/484706490.db2.gz NEWRKANSAQNCGN-IBGZPJMESA-N 0 3 372.425 -0.759 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000545154379 484707613 /nfs/dbraw/zinc/70/76/13/484707613.db2.gz NEWRKANSAQNCGN-LJQANCHMSA-N 0 3 372.425 -0.759 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000545154909 484706749 /nfs/dbraw/zinc/70/67/49/484706749.db2.gz AWUDPUCXVZLMCR-INIZCTEOSA-N 0 3 353.444 -0.076 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000545154910 484706948 /nfs/dbraw/zinc/70/69/48/484706948.db2.gz AWUDPUCXVZLMCR-MRXNPFEDSA-N 0 3 353.444 -0.076 20 0 FBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@@]3(O)CCN(C)C3)ccc21 ZINC000545155372 484707229 /nfs/dbraw/zinc/70/72/29/484707229.db2.gz PUWRIFFBGAROMY-IBGZPJMESA-N 0 3 374.441 -0.492 20 0 FBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@]3(O)CCN(C)C3)ccc21 ZINC000545155373 484707640 /nfs/dbraw/zinc/70/76/40/484707640.db2.gz PUWRIFFBGAROMY-LJQANCHMSA-N 0 3 374.441 -0.492 20 0 FBADHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[C@@]1(O)CCN(C)C1)C2=O ZINC000545155641 484707130 /nfs/dbraw/zinc/70/71/30/484707130.db2.gz RHAWPLLZEGHGLN-GGNLRSJOSA-N 0 3 366.462 -0.084 20 0 FBADHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[C@]1(O)CCN(C)C1)C2=O ZINC000545155642 484707568 /nfs/dbraw/zinc/70/75/68/484707568.db2.gz RHAWPLLZEGHGLN-JGTCGTHISA-N 0 3 366.462 -0.084 20 0 FBADHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@]1(O)CCN(C)C1)C2=O ZINC000545155643 484707028 /nfs/dbraw/zinc/70/70/28/484707028.db2.gz RHAWPLLZEGHGLN-PBFPGSCMSA-N 0 3 366.462 -0.084 20 0 FBADHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@@]1(O)CCN(C)C1)C2=O ZINC000545155644 484709326 /nfs/dbraw/zinc/70/93/26/484709326.db2.gz RHAWPLLZEGHGLN-XNJGSVPQSA-N 0 3 366.462 -0.084 20 0 FBADHN CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545156466 484709730 /nfs/dbraw/zinc/70/97/30/484709730.db2.gz VNNFDHFYNVZDOL-INIZCTEOSA-N 0 3 355.460 -0.290 20 0 FBADHN CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545156467 484708768 /nfs/dbraw/zinc/70/87/68/484708768.db2.gz VNNFDHFYNVZDOL-MRXNPFEDSA-N 0 3 355.460 -0.290 20 0 FBADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545156625 484708403 /nfs/dbraw/zinc/70/84/03/484708403.db2.gz YVLKRJPIPVOSAN-GOSISDBHSA-N 0 3 374.445 -0.440 20 0 FBADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545156626 484709465 /nfs/dbraw/zinc/70/94/65/484709465.db2.gz YVLKRJPIPVOSAN-SFHVURJKSA-N 0 3 374.445 -0.440 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545156718 484709293 /nfs/dbraw/zinc/70/92/93/484709293.db2.gz CBJLHYKFHJDUNM-INIZCTEOSA-N 0 3 371.459 -0.592 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545156719 484709170 /nfs/dbraw/zinc/70/91/70/484709170.db2.gz CBJLHYKFHJDUNM-MRXNPFEDSA-N 0 3 371.459 -0.592 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000545156930 484709810 /nfs/dbraw/zinc/70/98/10/484709810.db2.gz NPFNIDIYTMFLNK-AWEZNQCLSA-N 0 3 361.489 -0.364 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000545156931 484709079 /nfs/dbraw/zinc/70/90/79/484709079.db2.gz NPFNIDIYTMFLNK-CQSZACIVSA-N 0 3 361.489 -0.364 20 0 FBADHN CCOC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cn1C ZINC000545167288 484708569 /nfs/dbraw/zinc/70/85/69/484708569.db2.gz WYKOJJOKNXIGIA-INIZCTEOSA-N 0 3 352.391 -0.677 20 0 FBADHN CCOC(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cn1C ZINC000545167289 484709111 /nfs/dbraw/zinc/70/91/11/484709111.db2.gz WYKOJJOKNXIGIA-MRXNPFEDSA-N 0 3 352.391 -0.677 20 0 FBADHN CCCNC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545170658 484709248 /nfs/dbraw/zinc/70/92/48/484709248.db2.gz NSVVUADNZZLWTN-GOSISDBHSA-N 0 3 362.430 -0.052 20 0 FBADHN CCCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545170659 484709090 /nfs/dbraw/zinc/70/90/90/484709090.db2.gz NSVVUADNZZLWTN-SFHVURJKSA-N 0 3 362.430 -0.052 20 0 FBADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000545170897 484708514 /nfs/dbraw/zinc/70/85/14/484708514.db2.gz XMMPVLXXMKGBQS-GOSISDBHSA-N 0 3 363.414 -0.087 20 0 FBADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000545170898 484709641 /nfs/dbraw/zinc/70/96/41/484709641.db2.gz XMMPVLXXMKGBQS-SFHVURJKSA-N 0 3 363.414 -0.087 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000545171756 483760058 /nfs/dbraw/zinc/76/00/58/483760058.db2.gz KKMFYIFTYITSKA-INIZCTEOSA-N 0 3 362.390 -0.435 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000545171757 483760237 /nfs/dbraw/zinc/76/02/37/483760237.db2.gz KKMFYIFTYITSKA-MRXNPFEDSA-N 0 3 362.390 -0.435 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000545171870 484708304 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CN1CC[C@@](O)(CNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000545177687 484711463 /nfs/dbraw/zinc/71/14/63/484711463.db2.gz JEKCQHPBSZPKMS-OAHLLOKOSA-N 0 3 360.480 -0.691 20 0 FBADHN CO[C@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCOC1 ZINC000545196902 484711051 /nfs/dbraw/zinc/71/10/51/484711051.db2.gz NIDKMCYXQJPIFM-PBHICJAKSA-N 0 3 354.451 -0.260 20 0 FBADHN CO[C@@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCOC1 ZINC000545196905 484711494 /nfs/dbraw/zinc/71/14/94/484711494.db2.gz NIDKMCYXQJPIFM-RHSMWYFYSA-N 0 3 354.451 -0.260 20 0 FBADHN CO[C@@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCOC1 ZINC000545196906 484710856 /nfs/dbraw/zinc/71/08/56/484710856.db2.gz NIDKMCYXQJPIFM-WMLDXEAASA-N 0 3 354.451 -0.260 20 0 FBADHN CO[C@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCOC1 ZINC000545196907 484711184 /nfs/dbraw/zinc/71/11/84/484711184.db2.gz NIDKMCYXQJPIFM-YOEHRIQHSA-N 0 3 354.451 -0.260 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000545205363 484710627 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ZINC000545854411 484722687 /nfs/dbraw/zinc/72/26/87/484722687.db2.gz QKWNAJDFJPJQCF-INIZCTEOSA-N 0 3 353.350 -0.266 20 0 FBADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545854432 484725206 /nfs/dbraw/zinc/72/52/06/484725206.db2.gz QKWNAJDFJPJQCF-MRXNPFEDSA-N 0 3 353.350 -0.266 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000545856415 484724828 /nfs/dbraw/zinc/72/48/28/484724828.db2.gz QPYYKDOQPRTSTL-INIZCTEOSA-N 0 3 362.365 -0.472 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000545856437 484725015 /nfs/dbraw/zinc/72/50/15/484725015.db2.gz QPYYKDOQPRTSTL-MRXNPFEDSA-N 0 3 362.365 -0.472 20 0 FBADHN COCCS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545861638 484724727 /nfs/dbraw/zinc/72/47/27/484724727.db2.gz PTWRLVWDBMNDGU-INIZCTEOSA-N 0 3 356.444 -0.097 20 0 FBADHN COCCS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545861639 484724511 /nfs/dbraw/zinc/72/45/11/484724511.db2.gz PTWRLVWDBMNDGU-MRXNPFEDSA-N 0 3 356.444 -0.097 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000545861913 484725663 /nfs/dbraw/zinc/72/56/63/484725663.db2.gz WLTQCZDAHJCOML-INIZCTEOSA-N 0 3 353.444 -0.076 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000545861914 484725482 /nfs/dbraw/zinc/72/54/82/484725482.db2.gz WLTQCZDAHJCOML-MRXNPFEDSA-N 0 3 353.444 -0.076 20 0 FBADHN COc1cc(OC)c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1F ZINC000545861972 484724384 /nfs/dbraw/zinc/72/43/84/484724384.db2.gz HTPOESZYFFIQOO-INIZCTEOSA-N 0 3 355.366 -0.036 20 0 FBADHN COc1cc(OC)c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1F ZINC000545861974 484724651 /nfs/dbraw/zinc/72/46/51/484724651.db2.gz HTPOESZYFFIQOO-MRXNPFEDSA-N 0 3 355.366 -0.036 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000545862042 484725185 /nfs/dbraw/zinc/72/51/85/484725185.db2.gz JRDDUUQBMVWGDF-GOSISDBHSA-N 0 3 360.414 -0.065 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000545862045 484724460 /nfs/dbraw/zinc/72/44/60/484724460.db2.gz JRDDUUQBMVWGDF-SFHVURJKSA-N 0 3 360.414 -0.065 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545862713 484725729 /nfs/dbraw/zinc/72/57/29/484725729.db2.gz UMTFMDBBVRVFMV-INIZCTEOSA-N 0 3 369.443 -0.650 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545862714 484725069 /nfs/dbraw/zinc/72/50/69/484725069.db2.gz UMTFMDBBVRVFMV-MRXNPFEDSA-N 0 3 369.443 -0.650 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCN(C)C2)ccc1OC ZINC000545862967 484725270 /nfs/dbraw/zinc/72/52/70/484725270.db2.gz JGQFBBADDJOWEZ-HNNXBMFYSA-N 0 3 357.432 -0.600 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1OC ZINC000545862968 484725680 /nfs/dbraw/zinc/72/56/80/484725680.db2.gz JGQFBBADDJOWEZ-OAHLLOKOSA-N 0 3 357.432 -0.600 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000545864099 484724617 /nfs/dbraw/zinc/72/46/17/484724617.db2.gz PYPSKLAWLQZCIE-INIZCTEOSA-N 0 3 353.444 -0.195 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000545864103 484724424 /nfs/dbraw/zinc/72/44/24/484724424.db2.gz PYPSKLAWLQZCIE-MRXNPFEDSA-N 0 3 353.444 -0.195 20 0 FBADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@]1(O)CCN(C)C1)C2=O ZINC000545864449 484724806 /nfs/dbraw/zinc/72/48/06/484724806.db2.gz VSXAEAPNTYNQAS-CSMYWGQOSA-N 0 3 352.435 -0.330 20 0 FBADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@]1(O)CCN(C)C1)C2=O ZINC000545864459 484724170 /nfs/dbraw/zinc/72/41/70/484724170.db2.gz VSXAEAPNTYNQAS-DQYPLSBCSA-N 0 3 352.435 -0.330 20 0 FBADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@]1(O)CCN(C)C1)C2=O ZINC000545864460 484724326 /nfs/dbraw/zinc/72/43/26/484724326.db2.gz VSXAEAPNTYNQAS-JLZZUVOBSA-N 0 3 352.435 -0.330 20 0 FBADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@]1(O)CCN(C)C1)C2=O ZINC000545864461 484725135 /nfs/dbraw/zinc/72/51/35/484725135.db2.gz VSXAEAPNTYNQAS-OAUYIBNBSA-N 0 3 352.435 -0.330 20 0 FBADHN CN1CC[C@](O)(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000545869015 484724783 /nfs/dbraw/zinc/72/47/83/484724783.db2.gz ARSMREOEZVXZCY-INIZCTEOSA-N 0 3 352.439 -0.597 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000545869016 484724605 /nfs/dbraw/zinc/72/46/05/484724605.db2.gz ARSMREOEZVXZCY-MRXNPFEDSA-N 0 3 352.439 -0.597 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc(OC)c1OC ZINC000545872235 484724307 /nfs/dbraw/zinc/72/43/07/484724307.db2.gz ZFEYRAHUHFANAC-KRWDZBQOSA-N 0 3 367.402 -0.166 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc(OC)c1OC ZINC000545872236 484725437 /nfs/dbraw/zinc/72/54/37/484725437.db2.gz ZFEYRAHUHFANAC-QGZVFWFLSA-N 0 3 367.402 -0.166 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000545874090 484725638 /nfs/dbraw/zinc/72/56/38/484725638.db2.gz HCBHAAHJPICVTM-GOSISDBHSA-N 0 3 362.430 -0.356 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000545874103 484725748 /nfs/dbraw/zinc/72/57/48/484725748.db2.gz HCBHAAHJPICVTM-SFHVURJKSA-N 0 3 362.430 -0.356 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000545874167 484725249 /nfs/dbraw/zinc/72/52/49/484725249.db2.gz HQBYRDJTOFWPCP-CYBMUJFWSA-N 0 3 357.208 -0.035 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000545874173 484725614 /nfs/dbraw/zinc/72/56/14/484725614.db2.gz HQBYRDJTOFWPCP-ZDUSSCGKSA-N 0 3 357.208 -0.035 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000545875253 484148367 /nfs/dbraw/zinc/14/83/67/484148367.db2.gz RAUPTRYGDXLUJP-INIZCTEOSA-N 0 3 350.423 -0.095 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000545875258 484148499 /nfs/dbraw/zinc/14/84/99/484148499.db2.gz RAUPTRYGDXLUJP-MRXNPFEDSA-N 0 3 350.423 -0.095 20 0 FBADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000545875623 484724498 /nfs/dbraw/zinc/72/44/98/484724498.db2.gz WGNCKOQQXFGBOU-INIZCTEOSA-N 0 3 353.350 -0.266 20 0 FBADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000545875625 484725102 /nfs/dbraw/zinc/72/51/02/484725102.db2.gz WGNCKOQQXFGBOU-MRXNPFEDSA-N 0 3 353.350 -0.266 20 0 FBADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545879153 484725588 /nfs/dbraw/zinc/72/55/88/484725588.db2.gz OOCBDHJHTZLWPM-KRWDZBQOSA-N 0 3 365.386 -0.640 20 0 FBADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545879158 484725794 /nfs/dbraw/zinc/72/57/94/484725794.db2.gz OOCBDHJHTZLWPM-QGZVFWFLSA-N 0 3 365.386 -0.640 20 0 FBADHN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545879200 484725778 /nfs/dbraw/zinc/72/57/78/484725778.db2.gz BLHFLHNTJOHYHV-KRWDZBQOSA-N 0 3 367.402 -0.166 20 0 FBADHN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545879204 484724275 /nfs/dbraw/zinc/72/42/75/484724275.db2.gz BLHFLHNTJOHYHV-QGZVFWFLSA-N 0 3 367.402 -0.166 20 0 FBADHN CCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000545879654 484724707 /nfs/dbraw/zinc/72/47/07/484724707.db2.gz FHXRITILRAPKQN-GOSISDBHSA-N 0 3 362.430 -0.052 20 0 FBADHN CCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000545879655 484724641 /nfs/dbraw/zinc/72/46/41/484724641.db2.gz FHXRITILRAPKQN-SFHVURJKSA-N 0 3 362.430 -0.052 20 0 FBADHN Cc1nc(C(=O)NC[C@]2(O)CCN(C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000545879719 484725540 /nfs/dbraw/zinc/72/55/40/484725540.db2.gz SMNVEYAOJZOEBO-GFCCVEGCSA-N 0 3 374.327 -0.491 20 0 FBADHN Cc1nc(C(=O)NC[C@@]2(O)CCN(C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000545879737 484724931 /nfs/dbraw/zinc/72/49/31/484724931.db2.gz SMNVEYAOJZOEBO-LBPRGKRZSA-N 0 3 374.327 -0.491 20 0 FBADHN CC1=CCN(CCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000545881081 484724742 /nfs/dbraw/zinc/72/47/42/484724742.db2.gz XIGPJAZUDDLABG-UHFFFAOYSA-N 0 3 374.507 -0.411 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C1 ZINC000545881165 484726436 /nfs/dbraw/zinc/72/64/36/484726436.db2.gz QQPVSQQQXNYXRB-DUPGQFARSA-N 0 3 356.492 -0.105 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C1 ZINC000545881166 484724684 /nfs/dbraw/zinc/72/46/84/484724684.db2.gz QQPVSQQQXNYXRB-LMRQPLJMSA-N 0 3 356.492 -0.105 20 0 FBADHN CC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@]3(O)CCN(C)C3)ccc21 ZINC000545881224 484727218 /nfs/dbraw/zinc/72/72/18/484727218.db2.gz SXHHSFTUSVCJIS-GOSISDBHSA-N 0 3 360.414 -0.283 20 0 FBADHN CC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@@]3(O)CCN(C)C3)ccc21 ZINC000545881225 484726570 /nfs/dbraw/zinc/72/65/70/484726570.db2.gz SXHHSFTUSVCJIS-SFHVURJKSA-N 0 3 360.414 -0.283 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000545881271 484727098 /nfs/dbraw/zinc/72/70/98/484727098.db2.gz WHLPOTIRDJIBME-GOSISDBHSA-N 0 3 360.414 -0.065 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000545881272 484727033 /nfs/dbraw/zinc/72/70/33/484727033.db2.gz WHLPOTIRDJIBME-SFHVURJKSA-N 0 3 360.414 -0.065 20 0 FBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000545881964 484726739 /nfs/dbraw/zinc/72/67/39/484726739.db2.gz DQASBDNPGQRHRB-GOSISDBHSA-N 0 3 362.430 -0.054 20 0 FBADHN CC(C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000545881965 484727011 /nfs/dbraw/zinc/72/70/11/484727011.db2.gz DQASBDNPGQRHRB-SFHVURJKSA-N 0 3 362.430 -0.054 20 0 FBADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCN(C)C3)c2)n[nH]1 ZINC000545882014 484727172 /nfs/dbraw/zinc/72/71/72/484727172.db2.gz SCIACALAGLCUFF-KRWDZBQOSA-N 0 3 358.402 -0.099 20 0 FBADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@]3(O)CCN(C)C3)c2)n[nH]1 ZINC000545882015 484726777 /nfs/dbraw/zinc/72/67/77/484726777.db2.gz SCIACALAGLCUFF-QGZVFWFLSA-N 0 3 358.402 -0.099 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000545883146 484726906 /nfs/dbraw/zinc/72/69/06/484726906.db2.gz PGMWLHIOIUZMFV-CXAGYDPISA-N 0 3 364.450 -0.723 20 0 FBADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000545883147 484727054 /nfs/dbraw/zinc/72/70/54/484727054.db2.gz PGMWLHIOIUZMFV-DYVFJYSZSA-N 0 3 364.450 -0.723 20 0 FBADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000545883148 484726391 /nfs/dbraw/zinc/72/63/91/484726391.db2.gz PGMWLHIOIUZMFV-GUYCJALGSA-N 0 3 364.450 -0.723 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C1 ZINC000545883149 484726939 /nfs/dbraw/zinc/72/69/39/484726939.db2.gz PGMWLHIOIUZMFV-SUMWQHHRSA-N 0 3 364.450 -0.723 20 0 FBADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000545883450 484726335 /nfs/dbraw/zinc/72/63/35/484726335.db2.gz LERQYHYUGRKYFL-GWCFXTLKSA-N 0 3 352.357 -0.095 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000545883451 484726843 /nfs/dbraw/zinc/72/68/43/484726843.db2.gz LERQYHYUGRKYFL-GXFFZTMASA-N 0 3 352.357 -0.095 20 0 FBADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000545883452 484726701 /nfs/dbraw/zinc/72/67/01/484726701.db2.gz LERQYHYUGRKYFL-MFKMUULPSA-N 0 3 352.357 -0.095 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000545883453 484726237 /nfs/dbraw/zinc/72/62/37/484726237.db2.gz LERQYHYUGRKYFL-ZWNOBZJWSA-N 0 3 352.357 -0.095 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000545883782 484727142 /nfs/dbraw/zinc/72/71/42/484727142.db2.gz HYZBIMOUPAQMCS-GOSISDBHSA-N 0 3 362.478 -0.301 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000545883783 484726315 /nfs/dbraw/zinc/72/63/15/484726315.db2.gz HYZBIMOUPAQMCS-SFHVURJKSA-N 0 3 362.478 -0.301 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000545883919 484727079 /nfs/dbraw/zinc/72/70/79/484727079.db2.gz URMOXXDXMXJLRN-GOSISDBHSA-N 0 3 367.494 -0.704 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000545883928 484726824 /nfs/dbraw/zinc/72/68/24/484726824.db2.gz URMOXXDXMXJLRN-SFHVURJKSA-N 0 3 367.494 -0.704 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)C1 ZINC000545884422 484726256 /nfs/dbraw/zinc/72/62/56/484726256.db2.gz SPUKYAPXXAOXSX-INIZCTEOSA-N 0 3 353.444 -0.118 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)C1 ZINC000545884423 484726282 /nfs/dbraw/zinc/72/62/82/484726282.db2.gz SPUKYAPXXAOXSX-MRXNPFEDSA-N 0 3 353.444 -0.118 20 0 FBADHN CN(C)CCN1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000545890792 484727255 /nfs/dbraw/zinc/72/72/55/484727255.db2.gz WSKMQUYLURQPBW-UHFFFAOYSA-N 0 3 362.430 -0.149 20 0 FBADHN CN1CCN(CCCCNS(=O)(=O)CCCN2CCOCC2)CC1 ZINC000545912989 484727818 /nfs/dbraw/zinc/72/78/18/484727818.db2.gz FNGGHMSUOTWWGA-UHFFFAOYSA-N 0 3 362.540 -0.344 20 0 FBADHN O=S(=O)(CCCN1CCOCC1)NCCCCN1CCC[C@H]1CO ZINC000545914117 484728825 /nfs/dbraw/zinc/72/88/25/484728825.db2.gz AEIMAJCXWIIMOC-INIZCTEOSA-N 0 3 363.524 -0.135 20 0 FBADHN O=S(=O)(CCCN1CCOCC1)NCCCCN1CCC[C@@H]1CO ZINC000545914118 484728118 /nfs/dbraw/zinc/72/81/18/484728118.db2.gz AEIMAJCXWIIMOC-MRXNPFEDSA-N 0 3 363.524 -0.135 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000545982939 484342262 /nfs/dbraw/zinc/34/22/62/484342262.db2.gz ALMRXZQUUGRQOH-UHFFFAOYSA-N 0 3 360.418 -0.305 20 0 FBADHN CN1CCN(CCCCNC(=O)NCc2nnnn2CC2CC2)CC1 ZINC000546026971 484731137 /nfs/dbraw/zinc/73/11/37/484731137.db2.gz FHJQCEKOUSKIGP-UHFFFAOYSA-N 0 3 350.471 -0.090 20 0 FBADHN CCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000546043513 484731223 /nfs/dbraw/zinc/73/12/23/484731223.db2.gz NINLERKTPQVNDX-HNNXBMFYSA-N 0 3 358.508 -0.446 20 0 FBADHN CCS(=O)(=O)N1CCC(CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000546043514 484730858 /nfs/dbraw/zinc/73/08/58/484730858.db2.gz NINLERKTPQVNDX-OAHLLOKOSA-N 0 3 358.508 -0.446 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@]2(C)CO)CC1 ZINC000546102467 484733124 /nfs/dbraw/zinc/73/31/24/484733124.db2.gz ZWAQFDXHDFITNW-GOSISDBHSA-N 0 3 354.495 -0.108 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@]2(C)CO)CC1 ZINC000546102468 484732700 /nfs/dbraw/zinc/73/27/00/484732700.db2.gz ZWAQFDXHDFITNW-SFHVURJKSA-N 0 3 354.495 -0.108 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000546103119 484732084 /nfs/dbraw/zinc/73/20/84/484732084.db2.gz DVONFJDIYCVYRE-UHFFFAOYSA-N 0 3 367.406 -0.277 20 0 FBADHN C[C@@]1(CO)CCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000546105334 484732219 /nfs/dbraw/zinc/73/22/19/484732219.db2.gz YLQLUHLSLFDTOA-INIZCTEOSA-N 0 3 355.460 -0.161 20 0 FBADHN C[C@]1(CO)CCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000546105337 484732121 /nfs/dbraw/zinc/73/21/21/484732121.db2.gz YLQLUHLSLFDTOA-MRXNPFEDSA-N 0 3 355.460 -0.161 20 0 FBADHN CS[C@H]1CN(C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@H]1N(C)C ZINC000546128849 484470860 /nfs/dbraw/zinc/47/08/60/484470860.db2.gz BHWLGAGVFQERPC-NEPJUHHUSA-N 0 3 354.480 0.481 20 0 FBADHN CS[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@@H]1N(C)C ZINC000546128864 484471437 /nfs/dbraw/zinc/47/14/37/484471437.db2.gz BHWLGAGVFQERPC-NWDGAFQWSA-N 0 3 354.480 0.481 20 0 FBADHN CS[C@H]1CN(C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@@H]1N(C)C ZINC000546128866 484471291 /nfs/dbraw/zinc/47/12/91/484471291.db2.gz BHWLGAGVFQERPC-RYUDHWBXSA-N 0 3 354.480 0.481 20 0 FBADHN CS[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@H]1N(C)C ZINC000546128869 484471026 /nfs/dbraw/zinc/47/10/26/484471026.db2.gz BHWLGAGVFQERPC-VXGBXAGGSA-N 0 3 354.480 0.481 20 0 FBADHN O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546142777 484734160 /nfs/dbraw/zinc/73/41/60/484734160.db2.gz ODYVIVTVOFKEOT-HZSPNIEDSA-N 0 3 365.434 -0.690 20 0 FBADHN O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546142779 484734473 /nfs/dbraw/zinc/73/44/73/484734473.db2.gz ODYVIVTVOFKEOT-MCIONIFRSA-N 0 3 365.434 -0.690 20 0 FBADHN O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546142780 484734263 /nfs/dbraw/zinc/73/42/63/484734263.db2.gz ODYVIVTVOFKEOT-MGPQQGTHSA-N 0 3 365.434 -0.690 20 0 FBADHN O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546142782 484734318 /nfs/dbraw/zinc/73/43/18/484734318.db2.gz ODYVIVTVOFKEOT-RDBSUJKOSA-N 0 3 365.434 -0.690 20 0 FBADHN COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1 ZINC000546149005 484734687 /nfs/dbraw/zinc/73/46/87/484734687.db2.gz STMSPURTANKQEI-CYBMUJFWSA-N 0 3 353.423 -0.567 20 0 FBADHN COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1 ZINC000546149006 484734127 /nfs/dbraw/zinc/73/41/27/484734127.db2.gz STMSPURTANKQEI-ZDUSSCGKSA-N 0 3 353.423 -0.567 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000546184692 484735518 /nfs/dbraw/zinc/73/55/18/484735518.db2.gz YGQSSUVWVBKGNX-ZIAGYGMSSA-N 0 3 369.491 -0.039 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2cncnc2N(C)C)CC1 ZINC000546193793 484735473 /nfs/dbraw/zinc/73/54/73/484735473.db2.gz AMSPUJKUXXCYQK-CYBMUJFWSA-N 0 3 364.450 -0.310 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2cncnc2N(C)C)CC1 ZINC000546193794 484736028 /nfs/dbraw/zinc/73/60/28/484736028.db2.gz AMSPUJKUXXCYQK-ZDUSSCGKSA-N 0 3 364.450 -0.310 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1=O ZINC000546209696 484736641 /nfs/dbraw/zinc/73/66/41/484736641.db2.gz JTYFATAINACJAT-GXTWGEPZSA-N 0 3 351.451 -0.541 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1=O ZINC000546209697 484737118 /nfs/dbraw/zinc/73/71/18/484737118.db2.gz JTYFATAINACJAT-JSGCOSHPSA-N 0 3 351.451 -0.541 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1=O ZINC000546209698 484737716 /nfs/dbraw/zinc/73/77/16/484737716.db2.gz JTYFATAINACJAT-OCCSQVGLSA-N 0 3 351.451 -0.541 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1=O ZINC000546209699 484737197 /nfs/dbraw/zinc/73/71/97/484737197.db2.gz JTYFATAINACJAT-TZMCWYRMSA-N 0 3 351.451 -0.541 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000546226791 484737408 /nfs/dbraw/zinc/73/74/08/484737408.db2.gz IISGBAHPCWZXCY-LLVKDONJSA-N 0 3 353.379 -0.667 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000546226892 484736885 /nfs/dbraw/zinc/73/68/85/484736885.db2.gz IISGBAHPCWZXCY-NSHDSACASA-N 0 3 353.379 -0.667 20 0 FBADHN CCN1CCC(NC(=O)CN2CC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546228630 484737329 /nfs/dbraw/zinc/73/73/29/484737329.db2.gz ZKQOSSFIXMOQFT-AWEZNQCLSA-N 0 3 364.450 -0.088 20 0 FBADHN CCN1CCC(NC(=O)CN2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546228632 484737552 /nfs/dbraw/zinc/73/75/52/484737552.db2.gz ZKQOSSFIXMOQFT-CQSZACIVSA-N 0 3 364.450 -0.088 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)ccc1-n1cnnn1 ZINC000546557585 484740234 /nfs/dbraw/zinc/74/02/34/484740234.db2.gz BSUWUDPEOSMCNA-INIZCTEOSA-N 0 3 359.390 -0.908 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)ccc1-n1cnnn1 ZINC000546557586 484741126 /nfs/dbraw/zinc/74/11/26/484741126.db2.gz BSUWUDPEOSMCNA-MRXNPFEDSA-N 0 3 359.390 -0.908 20 0 FBADHN COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546558127 484740032 /nfs/dbraw/zinc/74/00/32/484740032.db2.gz JISIQSGKUZBGQJ-KRWDZBQOSA-N 0 3 369.393 -0.028 20 0 FBADHN COCCOc1ccc(F)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546558128 484740062 /nfs/dbraw/zinc/74/00/62/484740062.db2.gz JISIQSGKUZBGQJ-QGZVFWFLSA-N 0 3 369.393 -0.028 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000546563798 484739944 /nfs/dbraw/zinc/73/99/44/484739944.db2.gz JVRAGUINIDUIMT-CRAIPNDOSA-N 0 3 363.414 -0.024 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000546563800 484739786 /nfs/dbraw/zinc/73/97/86/484739786.db2.gz JVRAGUINIDUIMT-MAUKXSAKSA-N 0 3 363.414 -0.024 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000546563801 484741013 /nfs/dbraw/zinc/74/10/13/484741013.db2.gz JVRAGUINIDUIMT-QAPCUYQASA-N 0 3 363.414 -0.024 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000546563802 484741233 /nfs/dbraw/zinc/74/12/33/484741233.db2.gz JVRAGUINIDUIMT-YJBOKZPZSA-N 0 3 363.414 -0.024 20 0 FBADHN CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000546564051 484740598 /nfs/dbraw/zinc/74/05/98/484740598.db2.gz MSXMDWGDAUTSER-INIZCTEOSA-N 0 3 368.821 -0.179 20 0 FBADHN CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000546564056 484741051 /nfs/dbraw/zinc/74/10/51/484741051.db2.gz MSXMDWGDAUTSER-MRXNPFEDSA-N 0 3 368.821 -0.179 20 0 FBADHN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546564343 484741201 /nfs/dbraw/zinc/74/12/01/484741201.db2.gz REQYTVNBZLVXNC-INIZCTEOSA-N 0 3 371.340 -0.127 20 0 FBADHN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546564344 484739749 /nfs/dbraw/zinc/73/97/49/484739749.db2.gz REQYTVNBZLVXNC-MRXNPFEDSA-N 0 3 371.340 -0.127 20 0 FBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546564391 484741214 /nfs/dbraw/zinc/74/12/14/484741214.db2.gz SNFALEFRDZJRLO-INIZCTEOSA-N 0 3 353.350 -0.266 20 0 FBADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546564397 484741265 /nfs/dbraw/zinc/74/12/65/484741265.db2.gz SNFALEFRDZJRLO-MRXNPFEDSA-N 0 3 353.350 -0.266 20 0 FBADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c(C)c1 ZINC000546564457 484740382 /nfs/dbraw/zinc/74/03/82/484740382.db2.gz UJTWJJDEIVTDGR-GOSISDBHSA-N 0 3 362.430 -0.134 20 0 FBADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c(C)c1 ZINC000546564458 484740178 /nfs/dbraw/zinc/74/01/78/484740178.db2.gz UJTWJJDEIVTDGR-SFHVURJKSA-N 0 3 362.430 -0.134 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccccc2F)C1 ZINC000546568474 484740788 /nfs/dbraw/zinc/74/07/88/484740788.db2.gz VWNXLTYKQFCNSU-HNNXBMFYSA-N 0 3 359.423 -0.323 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccccc2F)C1 ZINC000546568475 484740310 /nfs/dbraw/zinc/74/03/10/484740310.db2.gz VWNXLTYKQFCNSU-OAHLLOKOSA-N 0 3 359.423 -0.323 20 0 FBADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546569331 484741028 /nfs/dbraw/zinc/74/10/28/484741028.db2.gz MKPNAFVQWAKTFO-PBHICJAKSA-N 0 3 359.434 -0.543 20 0 FBADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546569332 484741082 /nfs/dbraw/zinc/74/10/82/484741082.db2.gz MKPNAFVQWAKTFO-RHSMWYFYSA-N 0 3 359.434 -0.543 20 0 FBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546569333 484740948 /nfs/dbraw/zinc/74/09/48/484740948.db2.gz MKPNAFVQWAKTFO-WMLDXEAASA-N 0 3 359.434 -0.543 20 0 FBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546569334 484739768 /nfs/dbraw/zinc/73/97/68/484739768.db2.gz MKPNAFVQWAKTFO-YOEHRIQHSA-N 0 3 359.434 -0.543 20 0 FBADHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000546569764 484740835 /nfs/dbraw/zinc/74/08/35/484740835.db2.gz QHHSRWYWDANLCG-INIZCTEOSA-N 0 3 355.460 -0.290 20 0 FBADHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000546569765 484740911 /nfs/dbraw/zinc/74/09/11/484740911.db2.gz QHHSRWYWDANLCG-MRXNPFEDSA-N 0 3 355.460 -0.290 20 0 FBADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@@]2(O)CCN(C)C2)no1 ZINC000546569867 484339876 /nfs/dbraw/zinc/33/98/76/484339876.db2.gz MMSOVQJLGMMDMZ-ABAIWWIYSA-N 0 3 356.448 0.226 20 0 FBADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@]2(O)CCN(C)C2)no1 ZINC000546569868 484340652 /nfs/dbraw/zinc/34/06/52/484340652.db2.gz MMSOVQJLGMMDMZ-IAQYHMDHSA-N 0 3 356.448 0.226 20 0 FBADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@@]2(O)CCN(C)C2)no1 ZINC000546569869 484347127 /nfs/dbraw/zinc/34/71/27/484347127.db2.gz MMSOVQJLGMMDMZ-NHYWBVRUSA-N 0 3 356.448 0.226 20 0 FBADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@]2(O)CCN(C)C2)no1 ZINC000546569870 484346996 /nfs/dbraw/zinc/34/69/96/484346996.db2.gz MMSOVQJLGMMDMZ-XHDPSFHLSA-N 0 3 356.448 0.226 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1 ZINC000546570055 484739898 /nfs/dbraw/zinc/73/98/98/484739898.db2.gz RKWHDCCELJNTPG-INIZCTEOSA-N 0 3 352.435 -0.234 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1 ZINC000546570056 484740771 /nfs/dbraw/zinc/74/07/71/484740771.db2.gz RKWHDCCELJNTPG-MRXNPFEDSA-N 0 3 352.435 -0.234 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000546570216 484740339 /nfs/dbraw/zinc/74/03/39/484740339.db2.gz XHNWDLHEXVCDPC-BBRMVZONSA-N 0 3 355.460 -0.155 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000546570217 484740119 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/nfs/dbraw/zinc/74/47/63/484744763.db2.gz COWJHNWUVGQHOU-CQSZACIVSA-N 0 3 364.450 -0.207 20 0 FBADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000546682538 484746325 /nfs/dbraw/zinc/74/63/25/484746325.db2.gz DEJICHVDLHLKOC-GOSISDBHSA-N 0 3 360.414 -0.283 20 0 FBADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546682539 484746371 /nfs/dbraw/zinc/74/63/71/484746371.db2.gz DEJICHVDLHLKOC-SFHVURJKSA-N 0 3 360.414 -0.283 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000546688997 484746172 /nfs/dbraw/zinc/74/61/72/484746172.db2.gz WBNFCNGTBLMRTK-UHFFFAOYSA-N 0 3 364.446 -0.108 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000546689519 484745336 /nfs/dbraw/zinc/74/53/36/484745336.db2.gz DNRIRCPCVFFAHR-UHFFFAOYSA-N 0 3 361.406 -0.660 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000546689545 484745570 /nfs/dbraw/zinc/74/55/70/484745570.db2.gz KTRSHMPMAGLHLJ-UHFFFAOYSA-N 0 3 361.406 -0.660 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc2c1CCN2C(C)=O ZINC000546689909 484745523 /nfs/dbraw/zinc/74/55/23/484745523.db2.gz NUFPPYWUMJJALW-UHFFFAOYSA-N 0 3 362.430 -0.036 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](CO)[C@@H](O)C2)CC1=O ZINC000546694680 484746444 /nfs/dbraw/zinc/74/64/44/484746444.db2.gz SJKDBOVBUSKJBL-FPCVCCKLSA-N 0 3 353.463 -0.479 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](CO)[C@@H](O)C2)CC1=O ZINC000546694681 484745978 /nfs/dbraw/zinc/74/59/78/484745978.db2.gz SJKDBOVBUSKJBL-JJXSEGSLSA-N 0 3 353.463 -0.479 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](CO)[C@H](O)C2)CC1=O ZINC000546694682 484745897 /nfs/dbraw/zinc/74/58/97/484745897.db2.gz SJKDBOVBUSKJBL-KLHDSHLOSA-N 0 3 353.463 -0.479 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](CO)[C@H](O)C2)CC1=O ZINC000546694683 484746096 /nfs/dbraw/zinc/74/60/96/484746096.db2.gz SJKDBOVBUSKJBL-ZJIFWQFVSA-N 0 3 353.463 -0.479 20 0 FBADHN CCN(CCO)CCNC(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000546716451 484746935 /nfs/dbraw/zinc/74/69/35/484746935.db2.gz JNKGXYVVSYAORK-UHFFFAOYSA-N 0 3 364.512 -0.339 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000546733162 484747235 /nfs/dbraw/zinc/74/72/35/484747235.db2.gz FTJRZOOOPKDIBQ-KBPBESRZSA-N 0 3 361.512 -0.655 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000546733163 484747517 /nfs/dbraw/zinc/74/75/17/484747517.db2.gz FTJRZOOOPKDIBQ-KGLIPLIRSA-N 0 3 361.512 -0.655 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000546733164 484747764 /nfs/dbraw/zinc/74/77/64/484747764.db2.gz FTJRZOOOPKDIBQ-UONOGXRCSA-N 0 3 361.512 -0.655 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000546733165 484747291 /nfs/dbraw/zinc/74/72/91/484747291.db2.gz FTJRZOOOPKDIBQ-ZIAGYGMSSA-N 0 3 361.512 -0.655 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cn1 ZINC000546742059 484748687 /nfs/dbraw/zinc/74/86/87/484748687.db2.gz CXMMDHFKTHLNNH-UHFFFAOYSA-N 0 3 369.491 -0.253 20 0 FBADHN COC(=O)c1cn(C2CCN(CCCS(=O)(=O)N(C)C)CC2)nn1 ZINC000546811169 484750998 /nfs/dbraw/zinc/75/09/98/484750998.db2.gz UCDZPJUAJLUZNN-UHFFFAOYSA-N 0 3 359.452 -0.017 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)Nc2nc3ccccn3n2)cn1 ZINC000546820075 484090811 /nfs/dbraw/zinc/09/08/11/484090811.db2.gz OYXGOGZWRDBGNZ-UHFFFAOYSA-N 0 3 371.405 0.248 20 0 FBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000546822372 484750408 /nfs/dbraw/zinc/75/04/08/484750408.db2.gz VWMGWYFPPQIWEW-DLBZAZTESA-N 0 3 372.510 -0.130 20 0 FBADHN CCO[C@@H]1COCC[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000546822373 484750390 /nfs/dbraw/zinc/75/03/90/484750390.db2.gz VWMGWYFPPQIWEW-IAGOWNOFSA-N 0 3 372.510 -0.130 20 0 FBADHN CCO[C@H]1COCC[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000546822374 484751039 /nfs/dbraw/zinc/75/10/39/484751039.db2.gz VWMGWYFPPQIWEW-IRXDYDNUSA-N 0 3 372.510 -0.130 20 0 FBADHN CCO[C@H]1COCC[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000546822375 484750447 /nfs/dbraw/zinc/75/04/47/484750447.db2.gz VWMGWYFPPQIWEW-SJORKVTESA-N 0 3 372.510 -0.130 20 0 FBADHN CCN1CCN(CCC(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546911176 484754233 /nfs/dbraw/zinc/75/42/33/484754233.db2.gz BICRFQOYKYMRJD-AWEZNQCLSA-N 0 3 364.450 -0.134 20 0 FBADHN CCN1CCN(CCC(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000546911177 484754081 /nfs/dbraw/zinc/75/40/81/484754081.db2.gz BICRFQOYKYMRJD-CQSZACIVSA-N 0 3 364.450 -0.134 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)COC[C@H]3CCCO3)C2)nn1 ZINC000546932112 484753918 /nfs/dbraw/zinc/75/39/18/484753918.db2.gz NEXKXPIVQQEVGX-HZSPNIEDSA-N 0 3 354.407 -0.132 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)COC[C@@H]3CCCO3)C2)nn1 ZINC000546932113 484754160 /nfs/dbraw/zinc/75/41/60/484754160.db2.gz NEXKXPIVQQEVGX-MCIONIFRSA-N 0 3 354.407 -0.132 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)COC[C@H]3CCCO3)C2)nn1 ZINC000546932114 484753879 /nfs/dbraw/zinc/75/38/79/484753879.db2.gz NEXKXPIVQQEVGX-MGPQQGTHSA-N 0 3 354.407 -0.132 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)COC[C@@H]3CCCO3)C2)nn1 ZINC000546932115 484753785 /nfs/dbraw/zinc/75/37/85/484753785.db2.gz NEXKXPIVQQEVGX-RDBSUJKOSA-N 0 3 354.407 -0.132 20 0 FBADHN COC(=O)Cn1cc(CCN2CC[C@@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000546932312 484753343 /nfs/dbraw/zinc/75/33/43/484753343.db2.gz YFHMIGIBYGKFMC-GFCCVEGCSA-N 0 3 363.378 -0.681 20 0 FBADHN COC(=O)Cn1cc(CCN2CC[C@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000546932313 484754109 /nfs/dbraw/zinc/75/41/09/484754109.db2.gz YFHMIGIBYGKFMC-LBPRGKRZSA-N 0 3 363.378 -0.681 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2O[C@@H]2CCOC2)C1 ZINC000547264279 484757791 /nfs/dbraw/zinc/75/77/91/484757791.db2.gz SVJGHWYLIRLUGR-ACJLOTCBSA-N 0 3 363.414 -0.024 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2O[C@@H]2CCOC2)C1 ZINC000547264280 484756631 /nfs/dbraw/zinc/75/66/31/484756631.db2.gz SVJGHWYLIRLUGR-FZKQIMNGSA-N 0 3 363.414 -0.024 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2O[C@H]2CCOC2)C1 ZINC000547264281 484756999 /nfs/dbraw/zinc/75/69/99/484756999.db2.gz SVJGHWYLIRLUGR-SCLBCKFNSA-N 0 3 363.414 -0.024 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2O[C@H]2CCOC2)C1 ZINC000547264282 484756826 /nfs/dbraw/zinc/75/68/26/484756826.db2.gz SVJGHWYLIRLUGR-UGSOOPFHSA-N 0 3 363.414 -0.024 20 0 FBADHN COCCOc1ncccc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000547268760 484756494 /nfs/dbraw/zinc/75/64/94/484756494.db2.gz QSCGTULHHBCAJM-INIZCTEOSA-N 0 3 352.391 -0.772 20 0 FBADHN COCCOc1ncccc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000547268761 484756566 /nfs/dbraw/zinc/75/65/66/484756566.db2.gz QSCGTULHHBCAJM-MRXNPFEDSA-N 0 3 352.391 -0.772 20 0 FBADHN COCCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000547268998 484757320 /nfs/dbraw/zinc/75/73/20/484757320.db2.gz WUTOFZDEBDGFLK-KRWDZBQOSA-N 0 3 351.403 -0.167 20 0 FBADHN COCCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000547268999 484757603 /nfs/dbraw/zinc/75/76/03/484757603.db2.gz WUTOFZDEBDGFLK-QGZVFWFLSA-N 0 3 351.403 -0.167 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cn1 ZINC000547271075 484757718 /nfs/dbraw/zinc/75/77/18/484757718.db2.gz BTRKCGCOLPLZNF-INIZCTEOSA-N 0 3 352.391 -0.772 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cn1 ZINC000547271076 484757406 /nfs/dbraw/zinc/75/74/06/484757406.db2.gz BTRKCGCOLPLZNF-MRXNPFEDSA-N 0 3 352.391 -0.772 20 0 FBADHN COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000547273659 484756665 /nfs/dbraw/zinc/75/66/65/484756665.db2.gz JNSHXMIPTJFPGI-KRWDZBQOSA-N 0 3 351.403 -0.384 20 0 FBADHN COc1cc(OC)cc(C(=O)NCC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000547273660 484757060 /nfs/dbraw/zinc/75/70/60/484757060.db2.gz JNSHXMIPTJFPGI-QGZVFWFLSA-N 0 3 351.403 -0.384 20 0 FBADHN CNC(=O)COc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000547274311 484756691 /nfs/dbraw/zinc/75/66/91/484756691.db2.gz QRLIIDBILVBAQX-KRWDZBQOSA-N 0 3 351.403 -0.384 20 0 FBADHN CNC(=O)COc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1OC ZINC000547274312 484756782 /nfs/dbraw/zinc/75/67/82/484756782.db2.gz QRLIIDBILVBAQX-QGZVFWFLSA-N 0 3 351.403 -0.384 20 0 FBADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000547274566 484757730 /nfs/dbraw/zinc/75/77/30/484757730.db2.gz GAQTXDNYIGKIIU-KRWDZBQOSA-N 0 3 365.386 -0.397 20 0 FBADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000547274567 484757230 /nfs/dbraw/zinc/75/72/30/484757230.db2.gz GAQTXDNYIGKIIU-QGZVFWFLSA-N 0 3 365.386 -0.397 20 0 FBADHN COc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1S(=O)(=O)N(C)C ZINC000547275088 484756933 /nfs/dbraw/zinc/75/69/33/484756933.db2.gz YEJHHFPMIKSZJC-INIZCTEOSA-N 0 3 371.459 -0.258 20 0 FBADHN COc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1S(=O)(=O)N(C)C ZINC000547275092 484756548 /nfs/dbraw/zinc/75/65/48/484756548.db2.gz YEJHHFPMIKSZJC-MRXNPFEDSA-N 0 3 371.459 -0.258 20 0 FBADHN COc1ccc(C(=O)NCC(=O)NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000547275416 484757278 /nfs/dbraw/zinc/75/72/78/484757278.db2.gz BTHQKRUYINDAIO-KRWDZBQOSA-N 0 3 351.403 -0.384 20 0 FBADHN COc1ccc(C(=O)NCC(=O)NC[C@]2(O)CCN(C)C2)cc1OC ZINC000547275417 484756749 /nfs/dbraw/zinc/75/67/49/484756749.db2.gz BTHQKRUYINDAIO-QGZVFWFLSA-N 0 3 351.403 -0.384 20 0 FBADHN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000547275974 484756517 /nfs/dbraw/zinc/75/65/17/484756517.db2.gz RSFMLGVWXSNMLL-INIZCTEOSA-N 0 3 355.460 -0.078 20 0 FBADHN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000547275977 484756909 /nfs/dbraw/zinc/75/69/09/484756909.db2.gz RSFMLGVWXSNMLL-MRXNPFEDSA-N 0 3 355.460 -0.078 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000547277413 484757444 /nfs/dbraw/zinc/75/74/44/484757444.db2.gz IJNHPCPHVMYENR-CYBMUJFWSA-N 0 3 360.208 -0.045 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000547277414 484756804 /nfs/dbraw/zinc/75/68/04/484756804.db2.gz IJNHPCPHVMYENR-ZDUSSCGKSA-N 0 3 360.208 -0.045 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000547285279 484757634 /nfs/dbraw/zinc/75/76/34/484757634.db2.gz IBDIVVKCLYNIQQ-GOSISDBHSA-N 0 3 360.414 -0.300 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000547285280 484757779 /nfs/dbraw/zinc/75/77/79/484757779.db2.gz IBDIVVKCLYNIQQ-SFHVURJKSA-N 0 3 360.414 -0.300 20 0 FBADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000547285556 484756558 /nfs/dbraw/zinc/75/65/58/484756558.db2.gz RKKZTTMXRMSFNV-INIZCTEOSA-N 0 3 353.350 -0.266 20 0 FBADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000547285557 484756978 /nfs/dbraw/zinc/75/69/78/484756978.db2.gz RKKZTTMXRMSFNV-MRXNPFEDSA-N 0 3 353.350 -0.266 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1-n1cnnn1 ZINC000547285657 484757131 /nfs/dbraw/zinc/75/71/31/484757131.db2.gz XAJLVSNWVNNQIV-INIZCTEOSA-N 0 3 359.390 -0.908 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1-n1cnnn1 ZINC000547285658 484756605 /nfs/dbraw/zinc/75/66/05/484756605.db2.gz XAJLVSNWVNNQIV-MRXNPFEDSA-N 0 3 359.390 -0.908 20 0 FBADHN COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c(OC)c1OC ZINC000547285854 484757544 /nfs/dbraw/zinc/75/75/44/484757544.db2.gz ALDHZPXAZSZMRM-KRWDZBQOSA-N 0 3 367.402 -0.166 20 0 FBADHN COc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c(OC)c1OC ZINC000547285855 484757681 /nfs/dbraw/zinc/75/76/81/484757681.db2.gz ALDHZPXAZSZMRM-QGZVFWFLSA-N 0 3 367.402 -0.166 20 0 FBADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000547289898 484758942 /nfs/dbraw/zinc/75/89/42/484758942.db2.gz ZMRSKLAPEMQYGW-INIZCTEOSA-N 0 3 352.366 -0.095 20 0 FBADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000547289899 484759206 /nfs/dbraw/zinc/75/92/06/484759206.db2.gz ZMRSKLAPEMQYGW-MRXNPFEDSA-N 0 3 352.366 -0.095 20 0 FBADHN Cc1nc(-c2ccc(NC(=O)C(=O)NC[C@@]3(O)CCN(C)C3)cc2)n[nH]1 ZINC000547291274 484758804 /nfs/dbraw/zinc/75/88/04/484758804.db2.gz KYQAWCOHWSDLLL-KRWDZBQOSA-N 0 3 358.402 -0.099 20 0 FBADHN Cc1nc(-c2ccc(NC(=O)C(=O)NC[C@]3(O)CCN(C)C3)cc2)n[nH]1 ZINC000547291275 484758508 /nfs/dbraw/zinc/75/85/08/484758508.db2.gz KYQAWCOHWSDLLL-QGZVFWFLSA-N 0 3 358.402 -0.099 20 0 FBADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000547291314 484759243 /nfs/dbraw/zinc/75/92/43/484759243.db2.gz MBMWYLQPFITXBI-KRWDZBQOSA-N 0 3 360.370 -0.966 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000547291315 484759176 /nfs/dbraw/zinc/75/91/76/484759176.db2.gz MBMWYLQPFITXBI-QGZVFWFLSA-N 0 3 360.370 -0.966 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)C1 ZINC000547294863 484759162 /nfs/dbraw/zinc/75/91/62/484759162.db2.gz QQPVSQQQXNYXRB-DSPQJCBJSA-N 0 3 356.492 -0.105 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)C1 ZINC000547294877 484759257 /nfs/dbraw/zinc/75/92/57/484759257.db2.gz QQPVSQQQXNYXRB-FIRUKDTASA-N 0 3 356.492 -0.105 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)C1 ZINC000547294880 484759136 /nfs/dbraw/zinc/75/91/36/484759136.db2.gz QQPVSQQQXNYXRB-GMZLATJGSA-N 0 3 356.492 -0.105 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)C1 ZINC000547295032 484758868 /nfs/dbraw/zinc/75/88/68/484758868.db2.gz HYZRAJUVLPLCHJ-INIZCTEOSA-N 0 3 364.427 -0.321 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)C1 ZINC000547295034 484759102 /nfs/dbraw/zinc/75/91/02/484759102.db2.gz HYZRAJUVLPLCHJ-MRXNPFEDSA-N 0 3 364.427 -0.321 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000547295437 484759343 /nfs/dbraw/zinc/75/93/43/484759343.db2.gz WVWSLIZRGHDQCR-GFCCVEGCSA-N 0 3 367.406 -0.277 20 0 FBADHN COC(=O)CN(C)C(=O)CCN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000547295438 484759029 /nfs/dbraw/zinc/75/90/29/484759029.db2.gz WVWSLIZRGHDQCR-LBPRGKRZSA-N 0 3 367.406 -0.277 20 0 FBADHN COc1cc(F)c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000547295595 484758275 /nfs/dbraw/zinc/75/82/75/484758275.db2.gz VJJWNQOJPLKCIL-INIZCTEOSA-N 0 3 355.366 -0.036 20 0 FBADHN COc1cc(F)c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1OC ZINC000547295596 484759217 /nfs/dbraw/zinc/75/92/17/484759217.db2.gz VJJWNQOJPLKCIL-MRXNPFEDSA-N 0 3 355.366 -0.036 20 0 FBADHN CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000547296835 484759015 /nfs/dbraw/zinc/75/90/15/484759015.db2.gz DZIWUOCYHOEUPL-HNNXBMFYSA-N 0 3 362.496 -0.586 20 0 FBADHN CCS(=O)(=O)N1CCC(CNC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000547296836 484758755 /nfs/dbraw/zinc/75/87/55/484758755.db2.gz DZIWUOCYHOEUPL-OAHLLOKOSA-N 0 3 362.496 -0.586 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000547298655 484758353 /nfs/dbraw/zinc/75/83/53/484758353.db2.gz KCYASNWCRLMXMP-GOSISDBHSA-N 0 3 362.478 -0.301 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000547298656 484759294 /nfs/dbraw/zinc/75/92/94/484759294.db2.gz KCYASNWCRLMXMP-SFHVURJKSA-N 0 3 362.478 -0.301 20 0 FBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)CCCN1CCOCC1 ZINC000547327352 484760859 /nfs/dbraw/zinc/76/08/59/484760859.db2.gz QNGGEPLZVZGGES-UHFFFAOYSA-N 0 3 350.529 -0.536 20 0 FBADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000547391422 484761724 /nfs/dbraw/zinc/76/17/24/484761724.db2.gz ZKRXNPSANFLLCX-GOSISDBHSA-N 0 3 362.430 -0.037 20 0 FBADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000547391423 484761936 /nfs/dbraw/zinc/76/19/36/484761936.db2.gz ZKRXNPSANFLLCX-SFHVURJKSA-N 0 3 362.430 -0.037 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)C(=O)NCCN(CC)CCO)c1 ZINC000547396210 484761608 /nfs/dbraw/zinc/76/16/08/484761608.db2.gz NYPUYNOXBUDQOY-UHFFFAOYSA-N 0 3 350.419 -0.195 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000547397591 484762285 /nfs/dbraw/zinc/76/22/85/484762285.db2.gz NAQGSEBUVNTRGX-UHFFFAOYSA-N 0 3 371.459 -0.233 20 0 FBADHN CCN(CCO)CCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000547421415 484763821 /nfs/dbraw/zinc/76/38/21/484763821.db2.gz FAIRLROLJIPRPU-UHFFFAOYSA-N 0 3 358.464 -0.510 20 0 FBADHN CCN(CCO)CCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000547425813 484762961 /nfs/dbraw/zinc/76/29/61/484762961.db2.gz UZWDGIAIRAIGNV-UHFFFAOYSA-N 0 3 361.402 -0.124 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000547450443 484763704 /nfs/dbraw/zinc/76/37/04/484763704.db2.gz FJYPHOHVXFJEBJ-INIZCTEOSA-N 0 3 354.543 -0.053 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000547450444 484762923 /nfs/dbraw/zinc/76/29/23/484762923.db2.gz FJYPHOHVXFJEBJ-MRXNPFEDSA-N 0 3 354.543 -0.053 20 0 FBADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000547470185 484764513 /nfs/dbraw/zinc/76/45/13/484764513.db2.gz MRXLKLDFSIKWJW-UHFFFAOYSA-N 0 3 367.475 -0.242 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCC(C)CC2)nn1C ZINC000547480341 484764527 /nfs/dbraw/zinc/76/45/27/484764527.db2.gz HEIGJNSPYZLNBX-GFCCVEGCSA-N 0 3 353.423 -0.424 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@H](O)CN2CCC(C)CC2)nn1C ZINC000547480342 484764271 /nfs/dbraw/zinc/76/42/71/484764271.db2.gz HEIGJNSPYZLNBX-LBPRGKRZSA-N 0 3 353.423 -0.424 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cc(OC)n(C)n2)CC1 ZINC000547520998 484333403 /nfs/dbraw/zinc/33/34/03/484333403.db2.gz WFVCQWSCVROBMS-UHFFFAOYSA-N 0 3 352.439 0.447 20 0 FBADHN COCc1nc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)co1 ZINC000547535137 484766410 /nfs/dbraw/zinc/76/64/10/484766410.db2.gz MMGQWGKRTJKKGO-UHFFFAOYSA-N 0 3 350.379 -0.052 20 0 FBADHN CN1CCN(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1=O ZINC000547710850 484775306 /nfs/dbraw/zinc/77/53/06/484775306.db2.gz ZRTSRFAUGLZBNY-IBGZPJMESA-N 0 3 360.458 -0.486 20 0 FBADHN CN1CCN(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1=O ZINC000547710851 484774998 /nfs/dbraw/zinc/77/49/98/484774998.db2.gz ZRTSRFAUGLZBNY-LJQANCHMSA-N 0 3 360.458 -0.486 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)CC1 ZINC000547722773 484776319 /nfs/dbraw/zinc/77/63/19/484776319.db2.gz QHZAEEBASNWZFN-INIZCTEOSA-N 0 3 351.495 -0.613 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)CC1 ZINC000547722774 484776245 /nfs/dbraw/zinc/77/62/45/484776245.db2.gz QHZAEEBASNWZFN-MRXNPFEDSA-N 0 3 351.495 -0.613 20 0 FBADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000547755990 484778823 /nfs/dbraw/zinc/77/88/23/484778823.db2.gz TVCWJNCMGNZNGN-UHFFFAOYSA-N 0 3 357.432 -0.277 20 0 FBADHN COc1cc(NC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)nn1C ZINC000547839525 484418117 /nfs/dbraw/zinc/41/81/17/484418117.db2.gz IXLJBXBKJLYFOI-UHFFFAOYSA-N 0 3 364.410 -0.053 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000547862478 484781494 /nfs/dbraw/zinc/78/14/94/484781494.db2.gz WPTCWXUZVRBJAJ-CYBMUJFWSA-N 0 3 367.450 -0.177 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CCO1 ZINC000547862479 484781041 /nfs/dbraw/zinc/78/10/41/484781041.db2.gz WPTCWXUZVRBJAJ-ZDUSSCGKSA-N 0 3 367.450 -0.177 20 0 FBADHN COC(=O)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000547943369 484785986 /nfs/dbraw/zinc/78/59/86/484785986.db2.gz UBIDFYYWADPMHX-UHFFFAOYSA-N 0 3 352.435 -0.111 20 0 FBADHN COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCSCC1 ZINC000547985579 484786737 /nfs/dbraw/zinc/78/67/37/484786737.db2.gz CITUIQDFBPKKOK-GFCCVEGCSA-N 0 3 357.476 -0.049 20 0 FBADHN COC(=O)C1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCSCC1 ZINC000547985580 484787156 /nfs/dbraw/zinc/78/71/56/484787156.db2.gz CITUIQDFBPKKOK-LBPRGKRZSA-N 0 3 357.476 -0.049 20 0 FBADHN Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000548065965 484791763 /nfs/dbraw/zinc/79/17/63/484791763.db2.gz HWEAAVSUHPJYBY-GFCCVEGCSA-N 0 3 357.480 -0.065 20 0 FBADHN Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000548065966 484791162 /nfs/dbraw/zinc/79/11/62/484791162.db2.gz HWEAAVSUHPJYBY-LBPRGKRZSA-N 0 3 357.480 -0.065 20 0 FBADHN O=C(CCN1CCC[C@H](OCCO)C1)N1CCN(c2ncccn2)CC1 ZINC000548077377 484791442 /nfs/dbraw/zinc/79/14/42/484791442.db2.gz LLSHTJMUVBRQTR-INIZCTEOSA-N 0 3 363.462 -0.011 20 0 FBADHN O=C(CCN1CCC[C@@H](OCCO)C1)N1CCN(c2ncccn2)CC1 ZINC000548077378 484791389 /nfs/dbraw/zinc/79/13/89/484791389.db2.gz LLSHTJMUVBRQTR-MRXNPFEDSA-N 0 3 363.462 -0.011 20 0 FBADHN COC(=O)CC1(NCC(=O)NCCCN(C)S(C)(=O)=O)CCCC1 ZINC000548098512 484793456 /nfs/dbraw/zinc/79/34/56/484793456.db2.gz LHUIOKILQVILBP-UHFFFAOYSA-N 0 3 363.480 -0.150 20 0 FBADHN COC(=O)CC1(NCC(=O)N2CCN(CC(=O)N(C)C)CC2)CCCC1 ZINC000548098578 484793489 /nfs/dbraw/zinc/79/34/89/484793489.db2.gz BRRZCKHMHGYIAD-UHFFFAOYSA-N 0 3 368.478 -0.316 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000548111996 484793315 /nfs/dbraw/zinc/79/33/15/484793315.db2.gz PYCLHHMFXZFGGF-AWEZNQCLSA-N 0 3 364.512 -0.916 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000548112000 484793027 /nfs/dbraw/zinc/79/30/27/484793027.db2.gz PYCLHHMFXZFGGF-CQSZACIVSA-N 0 3 364.512 -0.916 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000548113595 484793611 /nfs/dbraw/zinc/79/36/11/484793611.db2.gz HGWHCJJEEVAUBA-UHFFFAOYSA-N 0 3 371.507 -0.103 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000548114380 484793184 /nfs/dbraw/zinc/79/31/84/484793184.db2.gz SCXZCWVRVBXKGD-GFCCVEGCSA-N 0 3 357.480 -0.572 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000548114381 484793100 /nfs/dbraw/zinc/79/31/00/484793100.db2.gz SCXZCWVRVBXKGD-LBPRGKRZSA-N 0 3 357.480 -0.572 20 0 FBADHN COc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)nn1C ZINC000548127611 484792809 /nfs/dbraw/zinc/79/28/09/484792809.db2.gz QBSNKSIBQRPUMR-GFCCVEGCSA-N 0 3 353.423 -0.064 20 0 FBADHN COc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)nn1C ZINC000548127612 484793435 /nfs/dbraw/zinc/79/34/35/484793435.db2.gz QBSNKSIBQRPUMR-LBPRGKRZSA-N 0 3 353.423 -0.064 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)nn1C ZINC000548130755 484794458 /nfs/dbraw/zinc/79/44/58/484794458.db2.gz HKXIZDCWWICUJV-UHFFFAOYSA-N 0 3 353.423 -0.064 20 0 FBADHN COc1cc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1C ZINC000548167604 484416200 /nfs/dbraw/zinc/41/62/00/484416200.db2.gz XNFGCVODPVIERL-GFCCVEGCSA-N 0 3 352.439 0.493 20 0 FBADHN COc1cc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1C ZINC000548167605 484415895 /nfs/dbraw/zinc/41/58/95/484415895.db2.gz XNFGCVODPVIERL-LBPRGKRZSA-N 0 3 352.439 0.493 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 ZINC000548312547 484802933 /nfs/dbraw/zinc/80/29/33/484802933.db2.gz ZYCBBPSSDBSRID-INIZCTEOSA-N 0 3 374.441 -0.113 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 ZINC000548312548 484802264 /nfs/dbraw/zinc/80/22/64/484802264.db2.gz ZYCBBPSSDBSRID-MRXNPFEDSA-N 0 3 374.441 -0.113 20 0 FBADHN CCn1ccnc(N2CCC(NC(=O)[C@@H]3CN4CCN3CCC4)CC2)c1=O ZINC000548351294 484804071 /nfs/dbraw/zinc/80/40/71/484804071.db2.gz AUHQBVAGWKZWPQ-INIZCTEOSA-N 0 3 374.489 -0.262 20 0 FBADHN CCn1ccnc(N2CCC(NC(=O)[C@H]3CN4CCN3CCC4)CC2)c1=O ZINC000548351295 484804097 /nfs/dbraw/zinc/80/40/97/484804097.db2.gz AUHQBVAGWKZWPQ-MRXNPFEDSA-N 0 3 374.489 -0.262 20 0 FBADHN CN1CCN(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1=O ZINC000548375819 484805711 /nfs/dbraw/zinc/80/57/11/484805711.db2.gz JWDRNQQZOYWIBM-KRWDZBQOSA-N 0 3 360.458 -0.357 20 0 FBADHN CN1CCN(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1=O ZINC000548375822 484805735 /nfs/dbraw/zinc/80/57/35/484805735.db2.gz JWDRNQQZOYWIBM-QGZVFWFLSA-N 0 3 360.458 -0.357 20 0 FBADHN Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2N(C)CCCC2(C)C)cn1 ZINC000548394483 484805559 /nfs/dbraw/zinc/80/55/59/484805559.db2.gz YWMWJUDKIJDXGT-CYBMUJFWSA-N 0 3 357.480 -0.065 20 0 FBADHN Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2N(C)CCCC2(C)C)cn1 ZINC000548394484 484805917 /nfs/dbraw/zinc/80/59/17/484805917.db2.gz YWMWJUDKIJDXGT-ZDUSSCGKSA-N 0 3 357.480 -0.065 20 0 FBADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000548400756 484807235 /nfs/dbraw/zinc/80/72/35/484807235.db2.gz IVKUPKDTNYLEAD-CABCVRRESA-N 0 3 360.414 -0.206 20 0 FBADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000548400757 484807043 /nfs/dbraw/zinc/80/70/43/484807043.db2.gz IVKUPKDTNYLEAD-GJZGRUSLSA-N 0 3 360.414 -0.206 20 0 FBADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000548400758 484807444 /nfs/dbraw/zinc/80/74/44/484807444.db2.gz IVKUPKDTNYLEAD-HUUCEWRRSA-N 0 3 360.414 -0.206 20 0 FBADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000548400759 484806995 /nfs/dbraw/zinc/80/69/95/484806995.db2.gz IVKUPKDTNYLEAD-LSDHHAIUSA-N 0 3 360.414 -0.206 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)NCC(=O)N2CCOCC2)CC1 ZINC000548431013 484807430 /nfs/dbraw/zinc/80/74/30/484807430.db2.gz BPKZBENZJUHUCA-UHFFFAOYSA-N 0 3 355.483 -0.440 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000548439942 484808927 /nfs/dbraw/zinc/80/89/27/484808927.db2.gz VJPVORULCSXPIB-UHFFFAOYSA-N 0 3 373.461 -0.026 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000548440584 484808575 /nfs/dbraw/zinc/80/85/75/484808575.db2.gz OREDDUKJPYGOOQ-UHFFFAOYSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)[C@H](CNC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000548442387 484809178 /nfs/dbraw/zinc/80/91/78/484809178.db2.gz VVMXSVDNPLGSIC-CABCVRRESA-N 0 3 359.430 -0.359 20 0 FBADHN CN(C)[C@@H](CNC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000548442388 484808818 /nfs/dbraw/zinc/80/88/18/484808818.db2.gz VVMXSVDNPLGSIC-GJZGRUSLSA-N 0 3 359.430 -0.359 20 0 FBADHN CN(C)[C@H](CNC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000548442389 484808744 /nfs/dbraw/zinc/80/87/44/484808744.db2.gz VVMXSVDNPLGSIC-HUUCEWRRSA-N 0 3 359.430 -0.359 20 0 FBADHN CN(C)[C@@H](CNC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000548442390 484808860 /nfs/dbraw/zinc/80/88/60/484808860.db2.gz VVMXSVDNPLGSIC-LSDHHAIUSA-N 0 3 359.430 -0.359 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCS2(=O)=O)cn1 ZINC000548453878 484808456 /nfs/dbraw/zinc/80/84/56/484808456.db2.gz IYBZXOZCRSTUTO-CYBMUJFWSA-N 0 3 371.463 -0.533 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCS2(=O)=O)cn1 ZINC000548453879 484808245 /nfs/dbraw/zinc/80/82/45/484808245.db2.gz IYBZXOZCRSTUTO-ZDUSSCGKSA-N 0 3 371.463 -0.533 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)C(=O)C1=O ZINC000548516909 484811974 /nfs/dbraw/zinc/81/19/74/484811974.db2.gz NTXKGMRIRJWDBL-KBPBESRZSA-N 0 3 368.503 -0.285 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)C(=O)C1=O ZINC000548516913 484811609 /nfs/dbraw/zinc/81/16/09/484811609.db2.gz NTXKGMRIRJWDBL-KGLIPLIRSA-N 0 3 368.503 -0.285 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)C(=O)C1=O ZINC000548516915 484812656 /nfs/dbraw/zinc/81/26/56/484812656.db2.gz NTXKGMRIRJWDBL-UONOGXRCSA-N 0 3 368.503 -0.285 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)C(=O)C1=O ZINC000548516918 484811683 /nfs/dbraw/zinc/81/16/83/484811683.db2.gz NTXKGMRIRJWDBL-ZIAGYGMSSA-N 0 3 368.503 -0.285 20 0 FBADHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000548679904 484820388 /nfs/dbraw/zinc/82/03/88/484820388.db2.gz QJMTUCGJUPQZFX-BRWVUGGUSA-N 0 3 356.463 -0.106 20 0 FBADHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000548679905 484820452 /nfs/dbraw/zinc/82/04/52/484820452.db2.gz QJMTUCGJUPQZFX-GVDBMIGSSA-N 0 3 356.463 -0.106 20 0 FBADHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000548679906 484820072 /nfs/dbraw/zinc/82/00/72/484820072.db2.gz QJMTUCGJUPQZFX-IXDOHACOSA-N 0 3 356.463 -0.106 20 0 FBADHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000548679907 484820667 /nfs/dbraw/zinc/82/06/67/484820667.db2.gz QJMTUCGJUPQZFX-YESZJQIVSA-N 0 3 356.463 -0.106 20 0 FBADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000548728936 484822147 /nfs/dbraw/zinc/82/21/47/484822147.db2.gz UZNRWTIPBLHXNF-CYBMUJFWSA-N 0 3 353.419 -0.479 20 0 FBADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000548728937 484822024 /nfs/dbraw/zinc/82/20/24/484822024.db2.gz UZNRWTIPBLHXNF-ZDUSSCGKSA-N 0 3 353.419 -0.479 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000548734391 484823380 /nfs/dbraw/zinc/82/33/80/484823380.db2.gz USGPEZQOSBAJJT-CVEARBPZSA-N 0 3 351.495 -0.755 20 0 FBADHN C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000548734392 484822845 /nfs/dbraw/zinc/82/28/45/484822845.db2.gz USGPEZQOSBAJJT-HOTGVXAUSA-N 0 3 351.495 -0.755 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1N1CCN(C)CC1 ZINC000548734393 484823400 /nfs/dbraw/zinc/82/34/00/484823400.db2.gz USGPEZQOSBAJJT-HZPDHXFCSA-N 0 3 351.495 -0.755 20 0 FBADHN C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1N1CCN(C)CC1 ZINC000548734394 484823578 /nfs/dbraw/zinc/82/35/78/484823578.db2.gz USGPEZQOSBAJJT-JKSUJKDBSA-N 0 3 351.495 -0.755 20 0 FBADHN Cc1nc(CCNC(=O)C(=O)N(CCN(C)C)CCN(C)C)c(C)o1 ZINC000548772758 484824885 /nfs/dbraw/zinc/82/48/85/484824885.db2.gz LNVTXURBWUVRJM-UHFFFAOYSA-N 0 3 353.467 -0.098 20 0 FBADHN C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000548790357 484824916 /nfs/dbraw/zinc/82/49/16/484824916.db2.gz WZCAYLAUNMOYHC-CABCVRRESA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H](O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000548790358 484824480 /nfs/dbraw/zinc/82/44/80/484824480.db2.gz WZCAYLAUNMOYHC-GJZGRUSLSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000548790359 484824320 /nfs/dbraw/zinc/82/43/20/484824320.db2.gz WZCAYLAUNMOYHC-HUUCEWRRSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000548790360 484824762 /nfs/dbraw/zinc/82/47/62/484824762.db2.gz WZCAYLAUNMOYHC-LSDHHAIUSA-N 0 3 354.495 -0.252 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)[C@@H]2C1 ZINC000548802999 484825932 /nfs/dbraw/zinc/82/59/32/484825932.db2.gz AGMTWASVXQZQQN-GXTWGEPZSA-N 0 3 371.463 -0.170 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)[C@H]2C1 ZINC000548803000 484826001 /nfs/dbraw/zinc/82/60/01/484826001.db2.gz AGMTWASVXQZQQN-JSGCOSHPSA-N 0 3 371.463 -0.170 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)[C@H]2C1 ZINC000548803001 484826290 /nfs/dbraw/zinc/82/62/90/484826290.db2.gz AGMTWASVXQZQQN-OCCSQVGLSA-N 0 3 371.463 -0.170 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)[C@@H]2C1 ZINC000548803002 484825744 /nfs/dbraw/zinc/82/57/44/484825744.db2.gz AGMTWASVXQZQQN-TZMCWYRMSA-N 0 3 371.463 -0.170 20 0 FBADHN CC1=CCN(CCNC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000548813500 484826019 /nfs/dbraw/zinc/82/60/19/484826019.db2.gz ZKIKDJSPKJUYMB-UHFFFAOYSA-N 0 3 353.511 -0.294 20 0 FBADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000548825895 484825916 /nfs/dbraw/zinc/82/59/16/484825916.db2.gz HRLMFIBCFOUCLI-AWEZNQCLSA-N 0 3 360.480 -0.951 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000548825896 484826040 /nfs/dbraw/zinc/82/60/40/484826040.db2.gz HRLMFIBCFOUCLI-CQSZACIVSA-N 0 3 360.480 -0.951 20 0 FBADHN COc1cc(CNCCC(=O)NC(N)=O)ccc1OCC(=O)N(C)C ZINC000548826286 484825493 /nfs/dbraw/zinc/82/54/93/484825493.db2.gz JPCMVQAGFREPMT-UHFFFAOYSA-N 0 3 352.391 -0.163 20 0 FBADHN Cn1nnc2c1nccc2C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000548898447 484828775 /nfs/dbraw/zinc/82/87/75/484828775.db2.gz YBBHHEGXRNYGML-UHFFFAOYSA-N 0 3 357.418 -0.257 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CN2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000548912941 484828655 /nfs/dbraw/zinc/82/86/55/484828655.db2.gz GTKKVLRKFNHAIJ-INIZCTEOSA-N 0 3 372.535 -0.102 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CN2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000548912942 484828290 /nfs/dbraw/zinc/82/82/90/484828290.db2.gz GTKKVLRKFNHAIJ-MRXNPFEDSA-N 0 3 372.535 -0.102 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CN2CCC([C@H](O)C(=O)NC3CC3)CC2)C1 ZINC000548915825 484828406 /nfs/dbraw/zinc/82/84/06/484828406.db2.gz VETPWRKQDQINPW-DOMZBBRYSA-N 0 3 359.492 -0.381 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)C1 ZINC000548915830 484829908 /nfs/dbraw/zinc/82/99/08/484829908.db2.gz VETPWRKQDQINPW-IUODEOHRSA-N 0 3 359.492 -0.381 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)C1 ZINC000548915831 484830399 /nfs/dbraw/zinc/83/03/99/484830399.db2.gz VETPWRKQDQINPW-SWLSCSKDSA-N 0 3 359.492 -0.381 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CN2CCC([C@H](O)C(=O)NC3CC3)CC2)C1 ZINC000548915832 484829891 /nfs/dbraw/zinc/82/98/91/484829891.db2.gz VETPWRKQDQINPW-WFASDCNBSA-N 0 3 359.492 -0.381 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(C[C@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000548915932 484829303 /nfs/dbraw/zinc/82/93/03/484829303.db2.gz QXVNKXKQNZQBOW-NEPJUHHUSA-N 0 3 357.436 -0.407 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000548915933 484829609 /nfs/dbraw/zinc/82/96/09/484829609.db2.gz QXVNKXKQNZQBOW-NWDGAFQWSA-N 0 3 357.436 -0.407 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(C[C@@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000548915934 484830573 /nfs/dbraw/zinc/83/05/73/484830573.db2.gz QXVNKXKQNZQBOW-RYUDHWBXSA-N 0 3 357.436 -0.407 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@H]3CCN(S(C)(=O)=O)C3)C2)nn1 ZINC000548915935 484830505 /nfs/dbraw/zinc/83/05/05/484830505.db2.gz QXVNKXKQNZQBOW-VXGBXAGGSA-N 0 3 357.436 -0.407 20 0 FBADHN Cn1cc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C)cn1 ZINC000548922685 484830314 /nfs/dbraw/zinc/83/03/14/484830314.db2.gz LMHAIADUJMVXGX-UHFFFAOYSA-N 0 3 358.450 -0.040 20 0 FBADHN COc1nccc(NC(=O)NCCCCN2CCN(CCO)CC2)n1 ZINC000548980671 484462379 /nfs/dbraw/zinc/46/23/79/484462379.db2.gz OXYIRDXDURFTHR-UHFFFAOYSA-N 0 3 352.439 -0.003 20 0 FBADHN CN(C)C(=O)COc1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000549152482 484835141 /nfs/dbraw/zinc/83/51/41/484835141.db2.gz RGQSXEXCKMSCIB-INIZCTEOSA-N 0 3 351.447 -0.064 20 0 FBADHN CN(C)C(=O)COc1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000549152488 484834803 /nfs/dbraw/zinc/83/48/03/484834803.db2.gz RGQSXEXCKMSCIB-MRXNPFEDSA-N 0 3 351.447 -0.064 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](CO)C2CCCCC2)n1 ZINC000549223474 484835827 /nfs/dbraw/zinc/83/58/27/484835827.db2.gz XDVZWFZWIBOZSU-AWEZNQCLSA-N 0 3 352.483 -0.038 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](CO)C2CCCCC2)n1 ZINC000549223484 484836797 /nfs/dbraw/zinc/83/67/97/484836797.db2.gz XDVZWFZWIBOZSU-CQSZACIVSA-N 0 3 352.483 -0.038 20 0 FBADHN COC(=O)c1c(F)cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1F ZINC000549265707 484837126 /nfs/dbraw/zinc/83/71/26/484837126.db2.gz IEPKMNQENGHJKH-MRXNPFEDSA-N 0 3 371.340 -0.127 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000549276181 484835791 /nfs/dbraw/zinc/83/57/91/484835791.db2.gz 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/nfs/dbraw/zinc/87/63/88/484876388.db2.gz MCDQGAPSDSHWFN-CYBMUJFWSA-N 0 3 356.467 -0.414 20 0 FBADHN CC[C@@H](COC)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000550405891 484875970 /nfs/dbraw/zinc/87/59/70/484875970.db2.gz MCDQGAPSDSHWFN-ZDUSSCGKSA-N 0 3 356.467 -0.414 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H](CO)O1 ZINC000550409888 484874972 /nfs/dbraw/zinc/87/49/72/484874972.db2.gz FBXZFPYMWKFEOG-DJIMGWMZSA-N 0 3 363.458 -0.116 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H](CO)O1 ZINC000550409889 484876358 /nfs/dbraw/zinc/87/63/58/484876358.db2.gz FBXZFPYMWKFEOG-HYVNUMGLSA-N 0 3 363.458 -0.116 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@@H](CO)O1 ZINC000550409890 484875646 /nfs/dbraw/zinc/87/56/46/484875646.db2.gz FBXZFPYMWKFEOG-OIISXLGYSA-N 0 3 363.458 -0.116 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](CO)O1 ZINC000550409891 484875953 /nfs/dbraw/zinc/87/59/53/484875953.db2.gz FBXZFPYMWKFEOG-PVAVHDDUSA-N 0 3 363.458 -0.116 20 0 FBADHN CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000550409913 484875273 /nfs/dbraw/zinc/87/52/73/484875273.db2.gz FZDQGWCNDNGSJO-CYBMUJFWSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)CC1 ZINC000550410423 484875112 /nfs/dbraw/zinc/87/51/12/484875112.db2.gz TVELKJSWAPLCOP-INIZCTEOSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000550410424 484876012 /nfs/dbraw/zinc/87/60/12/484876012.db2.gz TVELKJSWAPLCOP-MRXNPFEDSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)CC1 ZINC000550410462 484875499 /nfs/dbraw/zinc/87/54/99/484875499.db2.gz UPDAEXWXLHZLEQ-GDBMZVCRSA-N 0 3 371.478 -0.541 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@H](OCCOC)C[C@H](CO)C2)CC1 ZINC000550410463 484876141 /nfs/dbraw/zinc/87/61/41/484876141.db2.gz UPDAEXWXLHZLEQ-GOEBONIOSA-N 0 3 371.478 -0.541 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)CC1 ZINC000550410464 484875070 /nfs/dbraw/zinc/87/50/70/484875070.db2.gz UPDAEXWXLHZLEQ-HOCLYGCPSA-N 0 3 371.478 -0.541 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2C[C@H](CO)C[C@H](OCCOC)C2)CC1 ZINC000550410465 484876129 /nfs/dbraw/zinc/87/61/29/484876129.db2.gz UPDAEXWXLHZLEQ-ZBFHGGJFSA-N 0 3 371.478 -0.541 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000550413093 484877658 /nfs/dbraw/zinc/87/76/58/484877658.db2.gz SBCSXXBQJRFTAU-CYBMUJFWSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000550413094 484877076 /nfs/dbraw/zinc/87/70/76/484877076.db2.gz SBCSXXBQJRFTAU-ZDUSSCGKSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000550415868 484877314 /nfs/dbraw/zinc/87/73/14/484877314.db2.gz ZVLZRJCGQNUYQX-LBPRGKRZSA-N 0 3 369.384 -0.279 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000550417101 484877763 /nfs/dbraw/zinc/87/77/63/484877763.db2.gz YVXNVVDODJJEQR-AWEZNQCLSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000550417102 484877022 /nfs/dbraw/zinc/87/70/22/484877022.db2.gz YVXNVVDODJJEQR-CQSZACIVSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000550417120 484877447 /nfs/dbraw/zinc/87/74/47/484877447.db2.gz ZIKOJBJBPHQZOG-UHFFFAOYSA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCc1ccco1 ZINC000550422969 484877106 /nfs/dbraw/zinc/87/71/06/484877106.db2.gz MROOMORGLUJILI-HNNXBMFYSA-N 0 3 364.446 -0.003 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCc1ccco1 ZINC000550422970 484877432 /nfs/dbraw/zinc/87/74/32/484877432.db2.gz MROOMORGLUJILI-OAHLLOKOSA-N 0 3 364.446 -0.003 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCc2ccco2)CC1 ZINC000550428881 484877545 /nfs/dbraw/zinc/87/75/45/484877545.db2.gz LVZRDMFMKXJAHW-UHFFFAOYSA-N 0 3 362.430 -0.295 20 0 FBADHN CCOCCNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000550437306 484877676 /nfs/dbraw/zinc/87/76/76/484877676.db2.gz 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ZINC000550456249 484879333 /nfs/dbraw/zinc/87/93/33/484879333.db2.gz BVJWAZQNNIBEHH-OAHLLOKOSA-N 0 3 351.451 -0.219 20 0 FBADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000550473532 484880542 /nfs/dbraw/zinc/88/05/42/484880542.db2.gz OCAJOIFXQSPFSV-HNNXBMFYSA-N 0 3 369.447 -0.301 20 0 FBADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000550473533 484880025 /nfs/dbraw/zinc/88/00/25/484880025.db2.gz OCAJOIFXQSPFSV-OAHLLOKOSA-N 0 3 369.447 -0.301 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000550484083 484880000 /nfs/dbraw/zinc/88/00/00/484880000.db2.gz XQDZSOBNSOZWHZ-HZPDHXFCSA-N 0 3 354.495 -0.110 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCCn1cccn1 ZINC000550486495 484880062 /nfs/dbraw/zinc/88/00/62/484880062.db2.gz ONXOMQZMULAGSV-UHFFFAOYSA-N 0 3 350.467 -0.515 20 0 FBADHN CCN(C(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000550502643 484881112 /nfs/dbraw/zinc/88/11/12/484881112.db2.gz NYROLLCFDIOEID-DJIMGWMZSA-N 0 3 374.503 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Cn1c2[n-]c(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)nc2c(=O)n(C)c1=O ZINC000550503471 484881048 /nfs/dbraw/zinc/88/10/48/484881048.db2.gz NLXRFVJOQHNFSM-GUYCJALGSA-N 0 3 363.418 -0.630 20 0 FBADHN Cn1c2[n-]c(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)nc2c(=O)n(C)c1=O ZINC000550503472 484881391 /nfs/dbraw/zinc/88/13/91/484881391.db2.gz NLXRFVJOQHNFSM-SUMWQHHRSA-N 0 3 363.418 -0.630 20 0 FBADHN O=C(CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)N1CCN(C(=O)C2CC2)CC1 ZINC000550503713 484881089 /nfs/dbraw/zinc/88/10/89/484881089.db2.gz XXQUOGNHJIGOSQ-HKUYNNGSSA-N 0 3 365.474 -0.023 20 0 FBADHN O=C(CN[C@H](C1CC1)[C@]1(CO)CCCO1)N1CCN(C(=O)C2CC2)CC1 ZINC000550503714 484881227 /nfs/dbraw/zinc/88/12/27/484881227.db2.gz XXQUOGNHJIGOSQ-IEBWSBKVSA-N 0 3 365.474 -0.023 20 0 FBADHN O=C(CN[C@H](C1CC1)[C@@]1(CO)CCCO1)N1CCN(C(=O)C2CC2)CC1 ZINC000550503715 484881782 /nfs/dbraw/zinc/88/17/82/484881782.db2.gz XXQUOGNHJIGOSQ-MJGOQNOKSA-N 0 3 365.474 -0.023 20 0 FBADHN O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)N1CCN(C(=O)C2CC2)CC1 ZINC000550503716 484881454 /nfs/dbraw/zinc/88/14/54/484881454.db2.gz XXQUOGNHJIGOSQ-PKOBYXMFSA-N 0 3 365.474 -0.023 20 0 FBADHN Cc1ncc2c(n1)CCN(C(=O)C(=O)NC1CCN(CCN(C)C)CC1)C2 ZINC000550512836 484882848 /nfs/dbraw/zinc/88/28/48/484882848.db2.gz ACICQASFJUOBEB-UHFFFAOYSA-N 0 3 374.489 -0.188 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550512871 484883176 /nfs/dbraw/zinc/88/31/76/484883176.db2.gz BJVCJVZPACXYRF-GDBMZVCRSA-N 0 3 370.494 -0.561 20 0 FBADHN C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550512872 484882553 /nfs/dbraw/zinc/88/25/53/484882553.db2.gz BJVCJVZPACXYRF-GOEBONIOSA-N 0 3 370.494 -0.561 20 0 FBADHN C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550512873 484882815 /nfs/dbraw/zinc/88/28/15/484882815.db2.gz BJVCJVZPACXYRF-HOCLYGCPSA-N 0 3 370.494 -0.561 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550512874 484882781 /nfs/dbraw/zinc/88/27/81/484882781.db2.gz BJVCJVZPACXYRF-ZBFHGGJFSA-N 0 3 370.494 -0.561 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)CC1 ZINC000550514336 484883142 /nfs/dbraw/zinc/88/31/42/484883142.db2.gz LYPKOLQVOIPPTF-GFCCVEGCSA-N 0 3 368.400 -0.490 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)CC1 ZINC000550514337 484883321 /nfs/dbraw/zinc/88/33/21/484883321.db2.gz LYPKOLQVOIPPTF-LBPRGKRZSA-N 0 3 368.400 -0.490 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550518621 484882533 /nfs/dbraw/zinc/88/25/33/484882533.db2.gz HPPWOOFEHZCDBL-CABCVRRESA-N 0 3 367.494 -0.841 20 0 FBADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550518622 484882960 /nfs/dbraw/zinc/88/29/60/484882960.db2.gz HPPWOOFEHZCDBL-GJZGRUSLSA-N 0 3 367.494 -0.841 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550518623 484883199 /nfs/dbraw/zinc/88/31/99/484883199.db2.gz HPPWOOFEHZCDBL-HUUCEWRRSA-N 0 3 367.494 -0.841 20 0 FBADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550518724 484882860 /nfs/dbraw/zinc/88/28/60/484882860.db2.gz HPPWOOFEHZCDBL-LSDHHAIUSA-N 0 3 367.494 -0.841 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2C(C)(C)O)CC1 ZINC000550519665 484883123 /nfs/dbraw/zinc/88/31/23/484883123.db2.gz RGPMTQRABBBHBQ-HNNXBMFYSA-N 0 3 354.495 -0.110 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C(C)(C)O)CC1 ZINC000550519666 484882344 /nfs/dbraw/zinc/88/23/44/484882344.db2.gz RGPMTQRABBBHBQ-OAHLLOKOSA-N 0 3 354.495 -0.110 20 0 FBADHN CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550520507 484882947 /nfs/dbraw/zinc/88/29/47/484882947.db2.gz YYUKYBDCXVNNLN-AWEZNQCLSA-N 0 3 370.494 -0.071 20 0 FBADHN CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550520508 484883249 /nfs/dbraw/zinc/88/32/49/484883249.db2.gz YYUKYBDCXVNNLN-CQSZACIVSA-N 0 3 370.494 -0.071 20 0 FBADHN CCN1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)[C@@H](C)C1=O ZINC000550550510 484884520 /nfs/dbraw/zinc/88/45/20/484884520.db2.gz DIULDBVUNAUJQN-AWEZNQCLSA-N 0 3 367.494 -0.792 20 0 FBADHN CCN1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)[C@H](C)C1=O ZINC000550550511 484884436 /nfs/dbraw/zinc/88/44/36/484884436.db2.gz DIULDBVUNAUJQN-CQSZACIVSA-N 0 3 367.494 -0.792 20 0 FBADHN CC[C@]1(CO)CCCN1C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550552727 484884314 /nfs/dbraw/zinc/88/43/14/484884314.db2.gz DFRYHPAOOAZGJY-GOSISDBHSA-N 0 3 354.495 -0.108 20 0 FBADHN CC[C@@]1(CO)CCCN1C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000550552728 484884888 /nfs/dbraw/zinc/88/48/88/484884888.db2.gz DFRYHPAOOAZGJY-SFHVURJKSA-N 0 3 354.495 -0.108 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000550552986 484884816 /nfs/dbraw/zinc/88/48/16/484884816.db2.gz BFBDDPBDVPAPLI-UHFFFAOYSA-N 0 3 351.495 -0.565 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 ZINC000550554392 484885284 /nfs/dbraw/zinc/88/52/84/484885284.db2.gz MHBJFVUIRVIYMZ-RUZDIDTESA-N 0 3 372.535 -0.454 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1 ZINC000550554393 484884076 /nfs/dbraw/zinc/88/40/76/484884076.db2.gz MHBJFVUIRVIYMZ-VWLOTQADSA-N 0 3 372.535 -0.454 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000550566824 484884195 /nfs/dbraw/zinc/88/41/95/484884195.db2.gz YEFCPXZMPOGDMY-KRWDZBQOSA-N 0 3 360.418 -0.306 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000550566825 484884733 /nfs/dbraw/zinc/88/47/33/484884733.db2.gz YEFCPXZMPOGDMY-QGZVFWFLSA-N 0 3 360.418 -0.306 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCCOCCN(C)C)C[C@H](C)O1 ZINC000550582875 484886517 /nfs/dbraw/zinc/88/65/17/484886517.db2.gz WFRQYVYCWUQNSI-GASCZTMLSA-N 0 3 372.510 -0.315 20 0 FBADHN C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCCOCCN(C)C)C[C@H](C)O1 ZINC000550582877 484885845 /nfs/dbraw/zinc/88/58/45/484885845.db2.gz WFRQYVYCWUQNSI-GJZGRUSLSA-N 0 3 372.510 -0.315 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCCOCCN(C)C)C[C@@H](C)O1 ZINC000550582878 484886131 /nfs/dbraw/zinc/88/61/31/484886131.db2.gz WFRQYVYCWUQNSI-HUUCEWRRSA-N 0 3 372.510 -0.315 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000550584309 484885900 /nfs/dbraw/zinc/88/59/00/484885900.db2.gz UKZKAMXJCBJRRL-UHFFFAOYSA-N 0 3 366.466 -0.642 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000550628200 484886255 /nfs/dbraw/zinc/88/62/55/484886255.db2.gz GUXUBNHMQGXRPK-UHFFFAOYSA-N 0 3 367.538 -0.022 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000550632595 484886346 /nfs/dbraw/zinc/88/63/46/484886346.db2.gz NNXCZJJNJITJBW-UHFFFAOYSA-N 0 3 354.451 -0.848 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CN1C1CC1 ZINC000550645947 484887715 /nfs/dbraw/zinc/88/77/15/484887715.db2.gz QKVAWFQMIOXROL-KBPBESRZSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CN1C1CC1 ZINC000550645948 484887527 /nfs/dbraw/zinc/88/75/27/484887527.db2.gz QKVAWFQMIOXROL-KGLIPLIRSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CN1C1CC1 ZINC000550645949 484888344 /nfs/dbraw/zinc/88/83/44/484888344.db2.gz QKVAWFQMIOXROL-UONOGXRCSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CN1C1CC1 ZINC000550645950 484887931 /nfs/dbraw/zinc/88/79/31/484887931.db2.gz QKVAWFQMIOXROL-ZIAGYGMSSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000550651785 484887740 /nfs/dbraw/zinc/88/77/40/484887740.db2.gz YJWQOWIEUOASFZ-CABCVRRESA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000550651786 484887844 /nfs/dbraw/zinc/88/78/44/484887844.db2.gz YJWQOWIEUOASFZ-GJZGRUSLSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000550651787 484888313 /nfs/dbraw/zinc/88/83/13/484888313.db2.gz YJWQOWIEUOASFZ-HUUCEWRRSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000550651788 484888588 /nfs/dbraw/zinc/88/85/88/484888588.db2.gz YJWQOWIEUOASFZ-LSDHHAIUSA-N 0 3 352.479 -0.044 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CCO1 ZINC000550653540 484887577 /nfs/dbraw/zinc/88/75/77/484887577.db2.gz LFMBSSOOWDRXRD-DZGCQCFKSA-N 0 3 354.451 -0.802 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CCO1 ZINC000550653541 484888848 /nfs/dbraw/zinc/88/88/48/484888848.db2.gz LFMBSSOOWDRXRD-HIFRSBDPSA-N 0 3 354.451 -0.802 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CCO1 ZINC000550653542 484888147 /nfs/dbraw/zinc/88/81/47/484888147.db2.gz LFMBSSOOWDRXRD-UKRRQHHQSA-N 0 3 354.451 -0.802 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CCO1 ZINC000550653543 484887611 /nfs/dbraw/zinc/88/76/11/484887611.db2.gz LFMBSSOOWDRXRD-ZFWWWQNUSA-N 0 3 354.451 -0.802 20 0 FBADHN Cn1cc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)nn1 ZINC000550653660 484888500 /nfs/dbraw/zinc/88/85/00/484888500.db2.gz RGMRZPBIOFVLCA-UHFFFAOYSA-N 0 3 371.445 -0.183 20 0 FBADHN Cc1nc(NC(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)nn1C ZINC000550654017 484459579 /nfs/dbraw/zinc/45/95/79/484459579.db2.gz ZJFAFDGEOXEQKG-UHFFFAOYSA-N 0 3 360.418 0.319 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000550654046 484887881 /nfs/dbraw/zinc/88/78/81/484887881.db2.gz PWMIPKMJSZWMRT-HNNXBMFYSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000550654047 484887785 /nfs/dbraw/zinc/88/77/85/484887785.db2.gz PWMIPKMJSZWMRT-OAHLLOKOSA-N 0 3 354.495 -0.250 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000550654317 484888127 /nfs/dbraw/zinc/88/81/27/484888127.db2.gz TZEOHYHIRAMADP-ARFHVFGLSA-N 0 3 371.478 -0.229 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000550654318 484888705 /nfs/dbraw/zinc/88/87/05/484888705.db2.gz TZEOHYHIRAMADP-BZUAXINKSA-N 0 3 371.478 -0.229 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000550654323 484887655 /nfs/dbraw/zinc/88/76/55/484887655.db2.gz TZEOHYHIRAMADP-HRCADAONSA-N 0 3 371.478 -0.229 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000550654324 484887861 /nfs/dbraw/zinc/88/78/61/484887861.db2.gz TZEOHYHIRAMADP-OWCLPIDISA-N 0 3 371.478 -0.229 20 0 FBADHN Cc1nc(NC(=O)C(=O)NCc2cccc(OCCN(C)C)c2)nn1C ZINC000550654843 484459126 /nfs/dbraw/zinc/45/91/26/484459126.db2.gz JEZWGUPGMAYMRY-UHFFFAOYSA-N 0 3 360.418 0.319 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000550660411 484888077 /nfs/dbraw/zinc/88/80/77/484888077.db2.gz OQHPLYQXOCOUBF-UHFFFAOYSA-N 0 3 363.462 -0.026 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000550664554 484890058 /nfs/dbraw/zinc/89/00/58/484890058.db2.gz UPHYSMZFJCMNRF-HNNXBMFYSA-N 0 3 352.479 -0.185 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000550664555 484890265 /nfs/dbraw/zinc/89/02/65/484890265.db2.gz UPHYSMZFJCMNRF-OAHLLOKOSA-N 0 3 352.479 -0.185 20 0 FBADHN CN(C)C1(CN(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CCC1 ZINC000550672136 484889579 /nfs/dbraw/zinc/88/95/79/484889579.db2.gz VIBQFXXSTHYDSU-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000550674438 484889611 /nfs/dbraw/zinc/88/96/11/484889611.db2.gz JMTBPVNAECGXGV-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CCO1 ZINC000550681738 484892020 /nfs/dbraw/zinc/89/20/20/484892020.db2.gz QYKIVCJQJKBVOT-DZGCQCFKSA-N 0 3 354.451 -0.660 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CCO1 ZINC000550681739 484891674 /nfs/dbraw/zinc/89/16/74/484891674.db2.gz QYKIVCJQJKBVOT-HIFRSBDPSA-N 0 3 354.451 -0.660 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CCO1 ZINC000550681740 484891418 /nfs/dbraw/zinc/89/14/18/484891418.db2.gz QYKIVCJQJKBVOT-UKRRQHHQSA-N 0 3 354.451 -0.660 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CCO1 ZINC000550681741 484890953 /nfs/dbraw/zinc/89/09/53/484890953.db2.gz QYKIVCJQJKBVOT-ZFWWWQNUSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000550685395 484891033 /nfs/dbraw/zinc/89/10/33/484891033.db2.gz MSZXKQGTFPBWEB-UHFFFAOYSA-N 0 3 374.489 -0.055 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)CC1 ZINC000550688454 484891305 /nfs/dbraw/zinc/89/13/05/484891305.db2.gz KHRLCXWZGJLHQH-AWEZNQCLSA-N 0 3 356.467 -0.950 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)CC1 ZINC000550688455 484891559 /nfs/dbraw/zinc/89/15/59/484891559.db2.gz KHRLCXWZGJLHQH-CQSZACIVSA-N 0 3 356.467 -0.950 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000550689615 484892056 /nfs/dbraw/zinc/89/20/56/484892056.db2.gz SZTAXFFJCURUGA-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000550689616 484891943 /nfs/dbraw/zinc/89/19/43/484891943.db2.gz SZTAXFFJCURUGA-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000550689617 484891748 /nfs/dbraw/zinc/89/17/48/484891748.db2.gz SZTAXFFJCURUGA-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN 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/nfs/dbraw/zinc/89/19/92/484891992.db2.gz GBEQZAKWYFQCFQ-CVEARBPZSA-N 0 3 370.494 -0.608 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000550691388 484891580 /nfs/dbraw/zinc/89/15/80/484891580.db2.gz GBEQZAKWYFQCFQ-HOTGVXAUSA-N 0 3 370.494 -0.608 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000550691389 484891360 /nfs/dbraw/zinc/89/13/60/484891360.db2.gz GBEQZAKWYFQCFQ-HZPDHXFCSA-N 0 3 370.494 -0.608 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000550691390 484891464 /nfs/dbraw/zinc/89/14/64/484891464.db2.gz GBEQZAKWYFQCFQ-JKSUJKDBSA-N 0 3 370.494 -0.608 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000550692524 484893227 /nfs/dbraw/zinc/89/32/27/484893227.db2.gz FCZFYGCMHMPFLO-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000550692525 484892692 /nfs/dbraw/zinc/89/26/92/484892692.db2.gz FCZFYGCMHMPFLO-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)COCc2nncn2C)CC1 ZINC000550692767 484892803 /nfs/dbraw/zinc/89/28/03/484892803.db2.gz PMAYQHVOKWENEC-UHFFFAOYSA-N 0 3 352.439 -0.656 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000550693355 484892818 /nfs/dbraw/zinc/89/28/18/484892818.db2.gz LQTUPLSAABLAOB-HNNXBMFYSA-N 0 3 370.494 -0.608 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000550693356 484893315 /nfs/dbraw/zinc/89/33/15/484893315.db2.gz LQTUPLSAABLAOB-OAHLLOKOSA-N 0 3 370.494 -0.608 20 0 FBADHN CN(CCO)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000550696547 484893333 /nfs/dbraw/zinc/89/33/33/484893333.db2.gz ZQIOTHUXVQVPHP-UHFFFAOYSA-N 0 3 362.474 -0.239 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000550701880 484892850 /nfs/dbraw/zinc/89/28/50/484892850.db2.gz IJNKKPSIJVCFOG-UHFFFAOYSA-N 0 3 365.478 -0.990 20 0 FBADHN CCN(CCCNC(=O)C(=O)NC1CCN(C2CC2)CC1)S(C)(=O)=O ZINC000550710341 484892927 /nfs/dbraw/zinc/89/29/27/484892927.db2.gz 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ZINC000550732525 484893206 /nfs/dbraw/zinc/89/32/06/484893206.db2.gz VZLLQVMMBBYBEN-UHFFFAOYSA-N 0 3 362.434 -0.009 20 0 FBADHN CC(C)CN1CCO[C@@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000550742945 484894090 /nfs/dbraw/zinc/89/40/90/484894090.db2.gz HTPORJZVIMLEEY-AWEZNQCLSA-N 0 3 367.498 -0.870 20 0 FBADHN CC(C)CN1CCO[C@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000550742946 484894637 /nfs/dbraw/zinc/89/46/37/484894637.db2.gz HTPORJZVIMLEEY-CQSZACIVSA-N 0 3 367.498 -0.870 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(NC(=O)C(C)C)CC2)n1 ZINC000550744522 484894518 /nfs/dbraw/zinc/89/45/18/484894518.db2.gz XJCJSSCJKXMPDU-UHFFFAOYSA-N 0 3 365.482 -0.319 20 0 FBADHN Cc1nc(NC(=O)C(=O)NCc2ccccc2OCCN(C)C)nn1C ZINC000550750250 484458742 /nfs/dbraw/zinc/45/87/42/484458742.db2.gz DVRHICWEVVMPJI-UHFFFAOYSA-N 0 3 360.418 0.319 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000550769163 484895906 /nfs/dbraw/zinc/89/59/06/484895906.db2.gz CXZLPMVKFWQGQS-UHFFFAOYSA-N 0 3 356.448 -0.899 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1=O ZINC000550780133 484898261 /nfs/dbraw/zinc/89/82/61/484898261.db2.gz DDRDDFXFFLCPRM-UHFFFAOYSA-N 0 3 367.494 -0.789 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CCN1C ZINC000550782072 484896923 /nfs/dbraw/zinc/89/69/23/484896923.db2.gz QNKIMTOXLBBOBF-KRWDZBQOSA-N 0 3 367.538 -0.071 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CCN1C ZINC000550782073 484898029 /nfs/dbraw/zinc/89/80/29/484898029.db2.gz QNKIMTOXLBBOBF-QGZVFWFLSA-N 0 3 367.538 -0.071 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000550782556 484897523 /nfs/dbraw/zinc/89/75/23/484897523.db2.gz VSEQYLLYFMDWRU-CVEARBPZSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](C)[C@@H]2CO)CC1 ZINC000550782557 484897986 /nfs/dbraw/zinc/89/79/86/484897986.db2.gz VSEQYLLYFMDWRU-HOTGVXAUSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@H]2CO)CC1 ZINC000550782558 484897781 /nfs/dbraw/zinc/89/77/81/484897781.db2.gz 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484897315 /nfs/dbraw/zinc/89/73/15/484897315.db2.gz KCALLVBVMVGHJD-OAHLLOKOSA-N 0 3 367.494 -0.791 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000550783830 484897073 /nfs/dbraw/zinc/89/70/73/484897073.db2.gz ABDUEVFUNSZNRW-INIZCTEOSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000550783831 484897971 /nfs/dbraw/zinc/89/79/71/484897971.db2.gz ABDUEVFUNSZNRW-MRXNPFEDSA-N 0 3 352.479 -0.232 20 0 FBADHN NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2NCCN1C(=O)CNC1=O ZINC000550785505 484897334 /nfs/dbraw/zinc/89/73/34/484897334.db2.gz NSNTWVHLRDJTNT-CYBMUJFWSA-N 0 3 352.416 -0.147 20 0 FBADHN NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2NCCN1C(=O)CNC1=O ZINC000550785506 484898499 /nfs/dbraw/zinc/89/84/99/484898499.db2.gz NSNTWVHLRDJTNT-ZDUSSCGKSA-N 0 3 352.416 -0.147 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC000550786683 484897465 /nfs/dbraw/zinc/89/74/65/484897465.db2.gz NIIBAIJSWFFFOC-AWEZNQCLSA-N 0 3 365.482 -0.902 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C[C@H]3CCOC3)CC2)n1 ZINC000550786684 484897097 /nfs/dbraw/zinc/89/70/97/484897097.db2.gz NIIBAIJSWFFFOC-CQSZACIVSA-N 0 3 365.482 -0.902 20 0 FBADHN COCCOC1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000550787171 484898705 /nfs/dbraw/zinc/89/87/05/484898705.db2.gz FCUUFZFVOBTYDB-UHFFFAOYSA-N 0 3 354.455 -0.428 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCOC3(CCC3)C2)CC1 ZINC000550789457 484898622 /nfs/dbraw/zinc/89/86/22/484898622.db2.gz WKCQUVGCTIVDJZ-UHFFFAOYSA-N 0 3 352.479 -0.088 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N(C)CCn2cccn2)CC1 ZINC000550791239 484897584 /nfs/dbraw/zinc/89/75/84/484897584.db2.gz BIFIYGHDVHEBKJ-UHFFFAOYSA-N 0 3 364.494 -0.125 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCCSC)CC1 ZINC000550805049 484900050 /nfs/dbraw/zinc/90/00/50/484900050.db2.gz RGCSESVFUOWXPT-UHFFFAOYSA-N 0 3 358.508 -0.132 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000550807109 484900231 /nfs/dbraw/zinc/90/02/31/484900231.db2.gz LEYAUXZVPOIOFW-UHFFFAOYSA-N 0 3 369.510 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358.508 -0.623 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000550835388 484903243 /nfs/dbraw/zinc/90/32/43/484903243.db2.gz IXILCJOLRSHCIW-CJNGLKHVSA-N 0 3 358.508 -0.623 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550835390 484900833 /nfs/dbraw/zinc/90/08/33/484900833.db2.gz IXILCJOLRSHCIW-CZUORRHYSA-N 0 3 358.508 -0.623 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550835391 484903082 /nfs/dbraw/zinc/90/30/82/484903082.db2.gz IXILCJOLRSHCIW-XJKSGUPXSA-N 0 3 358.508 -0.623 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCSC[C@H]2CCO)CCSC1 ZINC000550838143 484902933 /nfs/dbraw/zinc/90/29/33/484902933.db2.gz AWLOKANSLCWANV-DOMZBBRYSA-N 0 3 361.533 -0.134 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCSC[C@H]2CCO)CCSC1 ZINC000550838144 484902792 /nfs/dbraw/zinc/90/27/92/484902792.db2.gz AWLOKANSLCWANV-IUODEOHRSA-N 0 3 361.533 -0.134 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCSC[C@@H]2CCO)CCSC1 ZINC000550838145 484902610 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C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[C@H](C)N1CCOCC1 ZINC000550838532 484903009 /nfs/dbraw/zinc/90/30/09/484903009.db2.gz HOCIXAOEOFNLGH-ZQIUZPCESA-N 0 3 372.535 -0.235 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)no1 ZINC000550838867 484903727 /nfs/dbraw/zinc/90/37/27/484903727.db2.gz LYMMJYQRZJQRFO-AWEZNQCLSA-N 0 3 363.418 -0.636 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)no1 ZINC000550838868 484902700 /nfs/dbraw/zinc/90/27/00/484902700.db2.gz LYMMJYQRZJQRFO-CQSZACIVSA-N 0 3 363.418 -0.636 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2cccc(C(N)=O)c2)CCSC1 ZINC000550838879 484903128 /nfs/dbraw/zinc/90/31/28/484903128.db2.gz MJULGSCLPXIMBG-KRWDZBQOSA-N 0 3 364.471 -0.045 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2cccc(C(N)=O)c2)CCSC1 ZINC000550838880 484902561 /nfs/dbraw/zinc/90/25/61/484902561.db2.gz MJULGSCLPXIMBG-QGZVFWFLSA-N 0 3 364.471 -0.045 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)on2)CC1 ZINC000550839066 484903023 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CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 ZINC000551016904 484911891 /nfs/dbraw/zinc/91/18/91/484911891.db2.gz UTOXCKJRCWTIDU-CQSZACIVSA-N 0 3 353.467 -0.259 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000551021000 484910892 /nfs/dbraw/zinc/91/08/92/484910892.db2.gz FLIWZNTUDGSEHH-AWEZNQCLSA-N 0 3 374.507 -0.625 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000551021001 484911760 /nfs/dbraw/zinc/91/17/60/484911760.db2.gz FLIWZNTUDGSEHH-CQSZACIVSA-N 0 3 374.507 -0.625 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000551021986 484910603 /nfs/dbraw/zinc/91/06/03/484910603.db2.gz BBZFZTSCITZDAQ-UHFFFAOYSA-N 0 3 368.478 -0.412 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000551022770 484911121 /nfs/dbraw/zinc/91/11/21/484911121.db2.gz HJCMOUNODICXMI-UHFFFAOYSA-N 0 3 362.434 -0.829 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCCCn2ccnc2C)CC1 ZINC000551022775 484911562 /nfs/dbraw/zinc/91/15/62/484911562.db2.gz 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C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000551039072 484912552 /nfs/dbraw/zinc/91/25/52/484912552.db2.gz JXBNPIFPXGHVOA-HIFRSBDPSA-N 0 3 365.478 -0.103 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000551039073 484912923 /nfs/dbraw/zinc/91/29/23/484912923.db2.gz JXBNPIFPXGHVOA-UKRRQHHQSA-N 0 3 365.478 -0.103 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000551039074 484912950 /nfs/dbraw/zinc/91/29/50/484912950.db2.gz JXBNPIFPXGHVOA-ZFWWWQNUSA-N 0 3 365.478 -0.103 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 ZINC000551040427 484912797 /nfs/dbraw/zinc/91/27/97/484912797.db2.gz HPTCHUFLAGYLOU-KBPBESRZSA-N 0 3 353.467 -0.259 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 ZINC000551040428 484913849 /nfs/dbraw/zinc/91/38/49/484913849.db2.gz HPTCHUFLAGYLOU-KGLIPLIRSA-N 0 3 353.467 -0.259 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000551040429 484913555 /nfs/dbraw/zinc/91/35/55/484913555.db2.gz HPTCHUFLAGYLOU-UONOGXRCSA-N 0 3 353.467 -0.259 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000551040430 484913590 /nfs/dbraw/zinc/91/35/90/484913590.db2.gz HPTCHUFLAGYLOU-ZIAGYGMSSA-N 0 3 353.467 -0.259 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000551040662 484912448 /nfs/dbraw/zinc/91/24/48/484912448.db2.gz PSHSFFXRICYHEB-KRWDZBQOSA-N 0 3 367.538 -0.022 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000551040663 484913052 /nfs/dbraw/zinc/91/30/52/484913052.db2.gz PSHSFFXRICYHEB-QGZVFWFLSA-N 0 3 367.538 -0.022 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000551040664 484912653 /nfs/dbraw/zinc/91/26/53/484912653.db2.gz PTCDKPSFXWPMRS-KBXCAEBGSA-N 0 3 350.463 -0.037 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000551040665 484912618 /nfs/dbraw/zinc/91/26/18/484912618.db2.gz PTCDKPSFXWPMRS-KDOFPFPSSA-N 0 3 350.463 -0.037 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000551040666 484912903 /nfs/dbraw/zinc/91/29/03/484912903.db2.gz PTCDKPSFXWPMRS-KSSFIOAISA-N 0 3 350.463 -0.037 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000551040667 484912534 /nfs/dbraw/zinc/91/25/34/484912534.db2.gz PTCDKPSFXWPMRS-RDTXWAMCSA-N 0 3 350.463 -0.037 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)CN1CCOCC1 ZINC000551043380 484912886 /nfs/dbraw/zinc/91/28/86/484912886.db2.gz WFIUNYDQKDRZNH-CVEARBPZSA-N 0 3 354.495 -0.081 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCN1CCC[C@H](C)C1)CN1CCOCC1 ZINC000551043381 484913256 /nfs/dbraw/zinc/91/32/56/484913256.db2.gz WFIUNYDQKDRZNH-HOTGVXAUSA-N 0 3 354.495 -0.081 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)CN1CCOCC1 ZINC000551043382 484912830 /nfs/dbraw/zinc/91/28/30/484912830.db2.gz WFIUNYDQKDRZNH-HZPDHXFCSA-N 0 3 354.495 -0.081 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCN1CCC[C@H](C)C1)CN1CCOCC1 ZINC000551043383 484913649 /nfs/dbraw/zinc/91/36/49/484913649.db2.gz WFIUNYDQKDRZNH-JKSUJKDBSA-N 0 3 354.495 -0.081 20 0 FBADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551044250 484912581 /nfs/dbraw/zinc/91/25/81/484912581.db2.gz MMMLIWQZTLRLAV-DZGCQCFKSA-N 0 3 361.446 -0.274 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551044252 484913507 /nfs/dbraw/zinc/91/35/07/484913507.db2.gz MMMLIWQZTLRLAV-HIFRSBDPSA-N 0 3 361.446 -0.274 20 0 FBADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551044253 484912641 /nfs/dbraw/zinc/91/26/41/484912641.db2.gz MMMLIWQZTLRLAV-UKRRQHHQSA-N 0 3 361.446 -0.274 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551044254 484912483 /nfs/dbraw/zinc/91/24/83/484912483.db2.gz MMMLIWQZTLRLAV-ZFWWWQNUSA-N 0 3 361.446 -0.274 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccnc1N(C)C ZINC000551044516 484912849 /nfs/dbraw/zinc/91/28/49/484912849.db2.gz QRTDSECZIMTMBZ-UHFFFAOYSA-N 0 3 351.451 -0.200 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1cccnc1N(C)C ZINC000551045395 484914628 /nfs/dbraw/zinc/91/46/28/484914628.db2.gz ODQQFKFOPYVXLD-UHFFFAOYSA-N 0 3 364.494 -0.284 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCNC(=O)c2cccnc2)CCN1C ZINC000551046019 484915503 /nfs/dbraw/zinc/91/55/03/484915503.db2.gz SFCBPOWKHHJIAY-DZGCQCFKSA-N 0 3 361.446 -0.131 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCNC(=O)c2cccnc2)CCN1C ZINC000551046020 484914268 /nfs/dbraw/zinc/91/42/68/484914268.db2.gz SFCBPOWKHHJIAY-HIFRSBDPSA-N 0 3 361.446 -0.131 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCNC(=O)c2cccnc2)CCN1C ZINC000551046021 484915000 /nfs/dbraw/zinc/91/50/00/484915000.db2.gz SFCBPOWKHHJIAY-UKRRQHHQSA-N 0 3 361.446 -0.131 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCNC(=O)c2cccnc2)CCN1C ZINC000551046022 484914665 /nfs/dbraw/zinc/91/46/65/484914665.db2.gz SFCBPOWKHHJIAY-ZFWWWQNUSA-N 0 3 361.446 -0.131 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)nc2)CC1 ZINC000551046151 484915244 /nfs/dbraw/zinc/91/52/44/484915244.db2.gz DRHVGYHBECGRKO-UHFFFAOYSA-N 0 3 363.462 -0.009 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000551048842 484914945 /nfs/dbraw/zinc/91/49/45/484914945.db2.gz ROEOGMNSTRQXCF-KBPBESRZSA-N 0 3 374.507 -0.625 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000551048843 484914799 /nfs/dbraw/zinc/91/47/99/484914799.db2.gz ROEOGMNSTRQXCF-KGLIPLIRSA-N 0 3 374.507 -0.625 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000551048844 484914821 /nfs/dbraw/zinc/91/48/21/484914821.db2.gz ROEOGMNSTRQXCF-UONOGXRCSA-N 0 3 374.507 -0.625 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000551048845 484914526 /nfs/dbraw/zinc/91/45/26/484914526.db2.gz ROEOGMNSTRQXCF-ZIAGYGMSSA-N 0 3 374.507 -0.625 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCCN1CCc2ccccc2C1 ZINC000551049953 484914354 /nfs/dbraw/zinc/91/43/54/484914354.db2.gz YAOOUIZFDVIUPI-UHFFFAOYSA-N 0 3 362.474 -0.145 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000551055484 484915183 /nfs/dbraw/zinc/91/51/83/484915183.db2.gz MXDZFCAWUPZJQW-UHFFFAOYSA-N 0 3 369.510 -0.687 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000551063422 484916133 /nfs/dbraw/zinc/91/61/33/484916133.db2.gz YRMMBFJEHWZGTJ-UHFFFAOYSA-N 0 3 355.483 -0.885 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1=O ZINC000551067487 484917072 /nfs/dbraw/zinc/91/70/72/484917072.db2.gz LPWKQTVNLGNHFZ-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1=O ZINC000551067488 484917064 /nfs/dbraw/zinc/91/70/64/484917064.db2.gz LPWKQTVNLGNHFZ-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000551067569 484916496 /nfs/dbraw/zinc/91/64/96/484916496.db2.gz YTSAPEVLVLQFRT-UHFFFAOYSA-N 0 3 366.510 -0.353 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000551069366 484916835 /nfs/dbraw/zinc/91/68/35/484916835.db2.gz 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C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000551074288 484916286 /nfs/dbraw/zinc/91/62/86/484916286.db2.gz NRHVNOUGFKSKQE-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000551074289 484916693 /nfs/dbraw/zinc/91/66/93/484916693.db2.gz NRHVNOUGFKSKQE-ZDUSSCGKSA-N 0 3 360.480 -0.919 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000551075851 484916344 /nfs/dbraw/zinc/91/63/44/484916344.db2.gz AEXUZOPXPRMOFD-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000551075852 484916920 /nfs/dbraw/zinc/91/69/20/484916920.db2.gz AEXUZOPXPRMOFD-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000551076447 484917152 /nfs/dbraw/zinc/91/71/52/484917152.db2.gz KPRFXSJQUIZGLC-HNNXBMFYSA-N 0 3 352.479 -0.042 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000551076455 484915932 /nfs/dbraw/zinc/91/59/32/484915932.db2.gz KPRFXSJQUIZGLC-OAHLLOKOSA-N 0 3 352.479 -0.042 20 0 FBADHN COCCOCCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000551077293 484916972 /nfs/dbraw/zinc/91/69/72/484916972.db2.gz CBODXHAQQRRRPK-INIZCTEOSA-N 0 3 370.494 -0.608 20 0 FBADHN COCCOCCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000551077294 484915980 /nfs/dbraw/zinc/91/59/80/484915980.db2.gz CBODXHAQQRRRPK-MRXNPFEDSA-N 0 3 370.494 -0.608 20 0 FBADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC(CO)C1 ZINC000551094959 484918745 /nfs/dbraw/zinc/91/87/45/484918745.db2.gz IYWPIRFWKHLYCF-UHFFFAOYSA-N 0 3 374.485 -0.239 20 0 FBADHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cn(C)nn1 ZINC000551100656 484917611 /nfs/dbraw/zinc/91/76/11/484917611.db2.gz POCZJEDHTYSWGM-CYBMUJFWSA-N 0 3 351.455 -0.372 20 0 FBADHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cn(C)nn1 ZINC000551100657 484918278 /nfs/dbraw/zinc/91/82/78/484918278.db2.gz POCZJEDHTYSWGM-ZDUSSCGKSA-N 0 3 351.455 -0.372 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000551108361 484917792 /nfs/dbraw/zinc/91/77/92/484917792.db2.gz GFANSDJOEIZSMI-UHFFFAOYSA-N 0 3 364.446 -0.301 20 0 FBADHN CCn1cc(CN(C)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cn1 ZINC000551108532 484917833 /nfs/dbraw/zinc/91/78/33/484917833.db2.gz DKGZWCQYADDKCF-HNNXBMFYSA-N 0 3 364.494 -0.139 20 0 FBADHN CCn1cc(CN(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cn1 ZINC000551108533 484918022 /nfs/dbraw/zinc/91/80/22/484918022.db2.gz DKGZWCQYADDKCF-OAHLLOKOSA-N 0 3 364.494 -0.139 20 0 FBADHN CCOCCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000551117912 484918104 /nfs/dbraw/zinc/91/81/04/484918104.db2.gz NMQXQNWRVVBPNM-UHFFFAOYSA-N 0 3 368.478 -0.314 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1)CN1CCN(C)CC1 ZINC000551120574 484918000 /nfs/dbraw/zinc/91/80/00/484918000.db2.gz CETHICIYPAZMGC-GDBMZVCRSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1)CN1CCN(C)CC1 ZINC000551120577 484918433 /nfs/dbraw/zinc/91/84/33/484918433.db2.gz CETHICIYPAZMGC-GOEBONIOSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C2CC2)C1)CN1CCN(C)CC1 ZINC000551120579 484918854 /nfs/dbraw/zinc/91/88/54/484918854.db2.gz CETHICIYPAZMGC-HOCLYGCPSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCO[C@H](C2CC2)C1)CN1CCN(C)CC1 ZINC000551120580 484917895 /nfs/dbraw/zinc/91/78/95/484917895.db2.gz CETHICIYPAZMGC-ZBFHGGJFSA-N 0 3 352.479 -0.377 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000551121651 484918545 /nfs/dbraw/zinc/91/85/45/484918545.db2.gz IWVWNUYVNBVEDG-INIZCTEOSA-N 0 3 353.511 -0.460 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000551121652 484918057 /nfs/dbraw/zinc/91/80/57/484918057.db2.gz IWVWNUYVNBVEDG-MRXNPFEDSA-N 0 3 353.511 -0.460 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551123035 484919766 /nfs/dbraw/zinc/91/97/66/484919766.db2.gz VQNWGUKAOJDQDM-AWEZNQCLSA-N 0 3 369.510 -0.735 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551123036 484919463 /nfs/dbraw/zinc/91/94/63/484919463.db2.gz VQNWGUKAOJDQDM-CQSZACIVSA-N 0 3 369.510 -0.735 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C)CC[C@@H]1C)CN1CCN(C)CC1 ZINC000551123073 484920405 /nfs/dbraw/zinc/92/04/05/484920405.db2.gz WTYQHRUQJKCSAE-CVEARBPZSA-N 0 3 353.511 -0.461 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C)CC[C@@H]1C)CN1CCN(C)CC1 ZINC000551123074 484919828 /nfs/dbraw/zinc/91/98/28/484919828.db2.gz WTYQHRUQJKCSAE-HOTGVXAUSA-N 0 3 353.511 -0.461 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C)CC[C@H]1C)CN1CCN(C)CC1 ZINC000551123075 484920791 /nfs/dbraw/zinc/92/07/91/484920791.db2.gz WTYQHRUQJKCSAE-HZPDHXFCSA-N 0 3 353.511 -0.461 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C)CC[C@H]1C)CN1CCN(C)CC1 ZINC000551123076 484920553 /nfs/dbraw/zinc/92/05/53/484920553.db2.gz WTYQHRUQJKCSAE-JKSUJKDBSA-N 0 3 353.511 -0.461 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCO1 ZINC000551123435 484919703 /nfs/dbraw/zinc/91/97/03/484919703.db2.gz IASJZMKIPOBKTP-CVEARBPZSA-N 0 3 354.495 -0.131 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CCO1 ZINC000551123436 484920425 /nfs/dbraw/zinc/92/04/25/484920425.db2.gz IASJZMKIPOBKTP-HOTGVXAUSA-N 0 3 354.495 -0.131 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCO1 ZINC000551123437 484919625 /nfs/dbraw/zinc/91/96/25/484919625.db2.gz IASJZMKIPOBKTP-HZPDHXFCSA-N 0 3 354.495 -0.131 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CCO1 ZINC000551123438 484920600 /nfs/dbraw/zinc/92/06/00/484920600.db2.gz IASJZMKIPOBKTP-JKSUJKDBSA-N 0 3 354.495 -0.131 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC000551123492 484920588 /nfs/dbraw/zinc/92/05/88/484920588.db2.gz KHSFQFQMNRAKJT-BRWVUGGUSA-N 0 3 366.506 -0.129 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC000551123493 484919357 /nfs/dbraw/zinc/91/93/57/484919357.db2.gz KHSFQFQMNRAKJT-IKGGRYGDSA-N 0 3 366.506 -0.129 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC000551123494 484920017 /nfs/dbraw/zinc/92/00/17/484920017.db2.gz KHSFQFQMNRAKJT-IXDOHACOSA-N 0 3 366.506 -0.129 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC000551123495 484919549 /nfs/dbraw/zinc/91/95/49/484919549.db2.gz KHSFQFQMNRAKJT-ZACQAIPSSA-N 0 3 366.506 -0.129 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(CCO)C2CCC2)CC1 ZINC000551123773 484920313 /nfs/dbraw/zinc/92/03/13/484920313.db2.gz PRQZCWWZLATQLG-HNNXBMFYSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(CCO)C2CCC2)CC1 ZINC000551123774 484920250 /nfs/dbraw/zinc/92/02/50/484920250.db2.gz PRQZCWWZLATQLG-OAHLLOKOSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)CN1CCN(C)CC1 ZINC000551125445 484919993 /nfs/dbraw/zinc/91/99/93/484919993.db2.gz JHCXNPXJAKAYGT-NEPJUHHUSA-N 0 3 368.400 -0.632 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)CN1CCN(C)CC1 ZINC000551125446 484919686 /nfs/dbraw/zinc/91/96/86/484919686.db2.gz JHCXNPXJAKAYGT-NWDGAFQWSA-N 0 3 368.400 -0.632 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)CN1CCN(C)CC1 ZINC000551125447 484920614 /nfs/dbraw/zinc/92/06/14/484920614.db2.gz JHCXNPXJAKAYGT-RYUDHWBXSA-N 0 3 368.400 -0.632 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)CN1CCN(C)CC1 ZINC000551125448 484920328 /nfs/dbraw/zinc/92/03/28/484920328.db2.gz JHCXNPXJAKAYGT-VXGBXAGGSA-N 0 3 368.400 -0.632 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCN1CCSCC1)CN1CCN(C)CC1 ZINC000551125562 484919804 /nfs/dbraw/zinc/91/98/04/484919804.db2.gz LSXNYUBIBRORMT-HNNXBMFYSA-N 0 3 371.551 -0.849 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCN1CCSCC1)CN1CCN(C)CC1 ZINC000551125579 484920118 /nfs/dbraw/zinc/92/01/18/484920118.db2.gz LSXNYUBIBRORMT-OAHLLOKOSA-N 0 3 371.551 -0.849 20 0 FBADHN COC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551125647 484920269 /nfs/dbraw/zinc/92/02/69/484920269.db2.gz MSJWFLYSMKWERF-CVEARBPZSA-N 0 3 354.495 -0.129 20 0 FBADHN COC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551125650 484920670 /nfs/dbraw/zinc/92/06/70/484920670.db2.gz MSJWFLYSMKWERF-HOTGVXAUSA-N 0 3 354.495 -0.129 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551125653 484920368 /nfs/dbraw/zinc/92/03/68/484920368.db2.gz MSJWFLYSMKWERF-HZPDHXFCSA-N 0 3 354.495 -0.129 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551125656 484919852 /nfs/dbraw/zinc/91/98/52/484919852.db2.gz MSJWFLYSMKWERF-JKSUJKDBSA-N 0 3 354.495 -0.129 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551126591 484920634 /nfs/dbraw/zinc/92/06/34/484920634.db2.gz XSROSGHHJPOPLF-INIZCTEOSA-N 0 3 355.527 -0.215 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551126592 484920678 /nfs/dbraw/zinc/92/06/78/484920678.db2.gz XSROSGHHJPOPLF-MRXNPFEDSA-N 0 3 355.527 -0.215 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000551126906 484920836 /nfs/dbraw/zinc/92/08/36/484920836.db2.gz ZRQCVHSCYVLBIF-CYBMUJFWSA-N 0 3 364.437 -0.538 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000551126912 484920847 /nfs/dbraw/zinc/92/08/47/484920847.db2.gz ZRQCVHSCYVLBIF-ZDUSSCGKSA-N 0 3 364.437 -0.538 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000551136901 484919581 /nfs/dbraw/zinc/91/95/81/484919581.db2.gz RDHQPQAMUJRBHQ-CVEARBPZSA-N 0 3 365.522 -0.271 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000551136902 484920520 /nfs/dbraw/zinc/92/05/20/484920520.db2.gz RDHQPQAMUJRBHQ-HOTGVXAUSA-N 0 3 365.522 -0.271 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000551136903 484920157 /nfs/dbraw/zinc/92/01/57/484920157.db2.gz RDHQPQAMUJRBHQ-HZPDHXFCSA-N 0 3 365.522 -0.271 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000551136904 484919950 /nfs/dbraw/zinc/91/99/50/484919950.db2.gz RDHQPQAMUJRBHQ-JKSUJKDBSA-N 0 3 365.522 -0.271 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000551138738 484919399 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CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cc(C)no2)CC1 ZINC000551481344 484940436 /nfs/dbraw/zinc/94/04/36/484940436.db2.gz XEOZMEFOTQDNKG-ZDUSSCGKSA-N 0 3 351.451 -0.011 20 0 FBADHN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551481904 484941006 /nfs/dbraw/zinc/94/10/06/484941006.db2.gz AQXVRVDPJQORML-ARFHVFGLSA-N 0 3 354.495 -0.083 20 0 FBADHN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551481905 484941111 /nfs/dbraw/zinc/94/11/11/484941111.db2.gz AQXVRVDPJQORML-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551481906 484941607 /nfs/dbraw/zinc/94/16/07/484941607.db2.gz AQXVRVDPJQORML-HRCADAONSA-N 0 3 354.495 -0.083 20 0 FBADHN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551481907 484940326 /nfs/dbraw/zinc/94/03/26/484940326.db2.gz AQXVRVDPJQORML-OWCLPIDISA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCOC2(CCC2)C1)CN1CCN(C)CC1 ZINC000551482570 484940989 /nfs/dbraw/zinc/94/09/89/484940989.db2.gz LZCXMBZRAKHJQB-HNNXBMFYSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCOC2(CCC2)C1)CN1CCN(C)CC1 ZINC000551482571 484941491 /nfs/dbraw/zinc/94/14/91/484941491.db2.gz LZCXMBZRAKHJQB-OAHLLOKOSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCOC[C@@H]1CCCO1)CN1CCN(C)CC1 ZINC000551482619 484941204 /nfs/dbraw/zinc/94/12/04/484941204.db2.gz NRPWXWPETQZBPD-CVEARBPZSA-N 0 3 370.494 -0.702 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCOC[C@@H]1CCCO1)CN1CCN(C)CC1 ZINC000551482620 484940534 /nfs/dbraw/zinc/94/05/34/484940534.db2.gz NRPWXWPETQZBPD-HOTGVXAUSA-N 0 3 370.494 -0.702 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCOC[C@H]1CCCO1)CN1CCN(C)CC1 ZINC000551482621 484941222 /nfs/dbraw/zinc/94/12/22/484941222.db2.gz NRPWXWPETQZBPD-HZPDHXFCSA-N 0 3 370.494 -0.702 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCOC[C@H]1CCCO1)CN1CCN(C)CC1 ZINC000551482622 484941128 /nfs/dbraw/zinc/94/11/28/484941128.db2.gz NRPWXWPETQZBPD-JKSUJKDBSA-N 0 3 370.494 -0.702 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[C@H]2O)CC1 ZINC000551482653 484941244 /nfs/dbraw/zinc/94/12/44/484941244.db2.gz OLHMVBSMFFNMPC-BRWVUGGUSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000551482654 484941264 /nfs/dbraw/zinc/94/12/64/484941264.db2.gz OLHMVBSMFFNMPC-IKGGRYGDSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000551482655 484940473 /nfs/dbraw/zinc/94/04/73/484940473.db2.gz OLHMVBSMFFNMPC-IXDOHACOSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000551482656 484940874 /nfs/dbraw/zinc/94/08/74/484940874.db2.gz OLHMVBSMFFNMPC-ZACQAIPSSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)CN1CCN(C)CC1 ZINC000551482800 484940377 /nfs/dbraw/zinc/94/03/77/484940377.db2.gz QFPKEGSTOPLXNB-HNNXBMFYSA-N 0 3 353.511 -0.461 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)CN1CCN(C)CC1 ZINC000551482801 484940459 /nfs/dbraw/zinc/94/04/59/484940459.db2.gz QFPKEGSTOPLXNB-OAHLLOKOSA-N 0 3 353.511 -0.461 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(CCO)CC(F)F)CN1CCN(C)CC1 ZINC000551482816 484940565 /nfs/dbraw/zinc/94/05/65/484940565.db2.gz QNNZAURZSFPYHN-GFCCVEGCSA-N 0 3 350.410 -0.928 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(CCO)CC(F)F)CN1CCN(C)CC1 ZINC000551482817 484941095 /nfs/dbraw/zinc/94/10/95/484941095.db2.gz QNNZAURZSFPYHN-LBPRGKRZSA-N 0 3 350.410 -0.928 20 0 FBADHN COCCC1(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000551483083 484941065 /nfs/dbraw/zinc/94/10/65/484941065.db2.gz SGOBCKVTHHRZQH-HNNXBMFYSA-N 0 3 354.495 -0.081 20 0 FBADHN COCCC1(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000551483084 484941711 /nfs/dbraw/zinc/94/17/11/484941711.db2.gz SGOBCKVTHHRZQH-OAHLLOKOSA-N 0 3 354.495 -0.081 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(CC(C)(C)O)C1CC1)CN1CCN(C)CC1 ZINC000551484419 484940749 /nfs/dbraw/zinc/94/07/49/484940749.db2.gz FRBNUSKJDMNBIJ-AWEZNQCLSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(CC(C)(C)O)C1CC1)CN1CCN(C)CC1 ZINC000551484425 484941051 /nfs/dbraw/zinc/94/10/51/484941051.db2.gz FRBNUSKJDMNBIJ-CQSZACIVSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1cn2ccccc2n1)CN1CCN(C)CC1 ZINC000551485027 484941472 /nfs/dbraw/zinc/94/14/72/484941472.db2.gz JNPMONAALZUAQY-HNNXBMFYSA-N 0 3 372.473 -0.050 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1cn2ccccc2n1)CN1CCN(C)CC1 ZINC000551485028 484940516 /nfs/dbraw/zinc/94/05/16/484940516.db2.gz JNPMONAALZUAQY-OAHLLOKOSA-N 0 3 372.473 -0.050 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([S@@](C)=O)CC2)CC1 ZINC000551504041 484943178 /nfs/dbraw/zinc/94/31/78/484943178.db2.gz WMZAUCHLDYLRSF-DLUDVSRJSA-N 0 3 372.535 -0.597 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([S@@](C)=O)CC2)CC1 ZINC000551504042 484942906 /nfs/dbraw/zinc/94/29/06/484942906.db2.gz WMZAUCHLDYLRSF-HWRSSNJWSA-N 0 3 372.535 -0.597 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([S@](C)=O)CC2)CC1 ZINC000551504043 484943303 /nfs/dbraw/zinc/94/33/03/484943303.db2.gz WMZAUCHLDYLRSF-PWECECGKSA-N 0 3 372.535 -0.597 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([S@](C)=O)CC2)CC1 ZINC000551504044 484942591 /nfs/dbraw/zinc/94/25/91/484942591.db2.gz WMZAUCHLDYLRSF-SXBQZSJRSA-N 0 3 372.535 -0.597 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)CN1CCN(C)CC1 ZINC000551504051 484942606 /nfs/dbraw/zinc/94/26/06/484942606.db2.gz WSAQLHFFJLYERO-FPCVCCKLSA-N 0 3 366.506 -0.084 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)CN1CCN(C)CC1 ZINC000551504056 484942142 /nfs/dbraw/zinc/94/21/42/484942142.db2.gz WSAQLHFFJLYERO-KLHDSHLOSA-N 0 3 366.506 -0.084 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)CN1CCN(C)CC1 ZINC000551504058 484943522 /nfs/dbraw/zinc/94/35/22/484943522.db2.gz WSAQLHFFJLYERO-QKPAOTATSA-N 0 3 366.506 -0.084 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCN(C)CC1 ZINC000551504060 484943282 /nfs/dbraw/zinc/94/32/82/484943282.db2.gz WSAQLHFFJLYERO-QXSJWSMHSA-N 0 3 366.506 -0.084 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)O)C1)CN1CCN(C)CC1 ZINC000551505195 484943155 /nfs/dbraw/zinc/94/31/55/484943155.db2.gz KYVVIUNRZKXPLT-BZUAXINKSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)O)C1)CN1CCN(C)CC1 ZINC000551505196 484942691 /nfs/dbraw/zinc/94/26/91/484942691.db2.gz KYVVIUNRZKXPLT-OAGGEKHMSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)O)C1)CN1CCN(C)CC1 ZINC000551505197 484942841 /nfs/dbraw/zinc/94/28/41/484942841.db2.gz KYVVIUNRZKXPLT-OWCLPIDISA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1)CN1CCN(C)CC1 ZINC000551505198 484942929 /nfs/dbraw/zinc/94/29/29/484942929.db2.gz KYVVIUNRZKXPLT-PMPSAXMXSA-N 0 3 354.495 -0.395 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000551505258 484942968 /nfs/dbraw/zinc/94/29/68/484942968.db2.gz LQHUURNGFCCHBD-HNNXBMFYSA-N 0 3 365.482 -0.826 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000551505259 484942867 /nfs/dbraw/zinc/94/28/67/484942867.db2.gz LQHUURNGFCCHBD-OAHLLOKOSA-N 0 3 365.482 -0.826 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](C)[C@H]2CO)CC1 ZINC000551505260 484942471 /nfs/dbraw/zinc/94/24/71/484942471.db2.gz LTOPSANNQJCWIT-BZUAXINKSA-N 0 3 354.495 -0.395 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000551505261 484942986 /nfs/dbraw/zinc/94/29/86/484942986.db2.gz LTOPSANNQJCWIT-OAGGEKHMSA-N 0 3 354.495 -0.395 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](C)[C@H]2CO)CC1 ZINC000551505262 484943025 /nfs/dbraw/zinc/94/30/25/484943025.db2.gz LTOPSANNQJCWIT-OWCLPIDISA-N 0 3 354.495 -0.395 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](C)[C@@H]2CO)CC1 ZINC000551505263 484942889 /nfs/dbraw/zinc/94/28/89/484942889.db2.gz LTOPSANNQJCWIT-PMPSAXMXSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)Cn1cccn1 ZINC000551505355 484942948 /nfs/dbraw/zinc/94/29/48/484942948.db2.gz OBQVXAXBYQSWPR-INIZCTEOSA-N 0 3 364.494 -0.269 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)Cn1cccn1 ZINC000551505356 484942525 /nfs/dbraw/zinc/94/25/25/484942525.db2.gz OBQVXAXBYQSWPR-MRXNPFEDSA-N 0 3 364.494 -0.269 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21)CN1CCN(C)CC1 ZINC000551505646 484943370 /nfs/dbraw/zinc/94/33/70/484943370.db2.gz RZKQRJPWVOGZLP-DZGCQCFKSA-N 0 3 362.478 -0.097 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCc2c[nH]nc21)CN1CCN(C)CC1 ZINC000551505647 484942756 /nfs/dbraw/zinc/94/27/56/484942756.db2.gz RZKQRJPWVOGZLP-HIFRSBDPSA-N 0 3 362.478 -0.097 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21)CN1CCN(C)CC1 ZINC000551505648 484942352 /nfs/dbraw/zinc/94/23/52/484942352.db2.gz RZKQRJPWVOGZLP-UKRRQHHQSA-N 0 3 362.478 -0.097 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2c[nH]nc21)CN1CCN(C)CC1 ZINC000551505649 484942659 /nfs/dbraw/zinc/94/26/59/484942659.db2.gz RZKQRJPWVOGZLP-ZFWWWQNUSA-N 0 3 362.478 -0.097 20 0 FBADHN CCOC[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551506402 484942193 /nfs/dbraw/zinc/94/21/93/484942193.db2.gz AJAAFGCZPKHAFC-CVEARBPZSA-N 0 3 354.495 -0.129 20 0 FBADHN CCOC[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551506403 484942816 /nfs/dbraw/zinc/94/28/16/484942816.db2.gz AJAAFGCZPKHAFC-HOTGVXAUSA-N 0 3 354.495 -0.129 20 0 FBADHN CCOC[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551506404 484942729 /nfs/dbraw/zinc/94/27/29/484942729.db2.gz AJAAFGCZPKHAFC-HZPDHXFCSA-N 0 3 354.495 -0.129 20 0 FBADHN CCOC[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551506405 484942484 /nfs/dbraw/zinc/94/24/84/484942484.db2.gz AJAAFGCZPKHAFC-JKSUJKDBSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2cc[nH]n2)CC1 ZINC000551506466 484942636 /nfs/dbraw/zinc/94/26/36/484942636.db2.gz BYUGDGSEUWLIOY-AWEZNQCLSA-N 0 3 350.467 -0.242 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2cc[nH]n2)CC1 ZINC000551506467 484943090 /nfs/dbraw/zinc/94/30/90/484943090.db2.gz BYUGDGSEUWLIOY-CQSZACIVSA-N 0 3 350.467 -0.242 20 0 FBADHN CCCN(CC(C)(C)O)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551507875 484942263 /nfs/dbraw/zinc/94/22/63/484942263.db2.gz PUQUXKINPTXLGO-HNNXBMFYSA-N 0 3 356.511 -0.004 20 0 FBADHN CCCN(CC(C)(C)O)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551507877 484942572 /nfs/dbraw/zinc/94/25/72/484942572.db2.gz PUQUXKINPTXLGO-OAHLLOKOSA-N 0 3 356.511 -0.004 20 0 FBADHN O=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1COCCO1 ZINC000551525766 484943940 /nfs/dbraw/zinc/94/39/40/484943940.db2.gz PPWQHIVBOYNBKX-INIZCTEOSA-N 0 3 362.430 -0.054 20 0 FBADHN O=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000551525767 484944600 /nfs/dbraw/zinc/94/46/00/484944600.db2.gz PPWQHIVBOYNBKX-MRXNPFEDSA-N 0 3 362.430 -0.054 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000551525971 484944284 /nfs/dbraw/zinc/94/42/84/484944284.db2.gz BSMAGBJEJSOOIH-HNNXBMFYSA-N 0 3 357.451 -0.476 20 0 FBADHN 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CCN(CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1)S(C)(=O)=O ZINC000551634629 484949229 /nfs/dbraw/zinc/94/92/29/484949229.db2.gz AGLHJWIPZGBTKJ-ZDUSSCGKSA-N 0 3 362.496 -0.673 20 0 FBADHN CCN(CCCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)S(C)(=O)=O ZINC000551634994 484949951 /nfs/dbraw/zinc/94/99/51/484949951.db2.gz ORVAZHAQQVFKCW-GFCCVEGCSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CCCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)S(C)(=O)=O ZINC000551634996 484949867 /nfs/dbraw/zinc/94/98/67/484949867.db2.gz ORVAZHAQQVFKCW-LBPRGKRZSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)S(C)(=O)=O ZINC000551635417 484949891 /nfs/dbraw/zinc/94/98/91/484949891.db2.gz VUFBRDLRUOYJMI-CHWSQXEVSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)S(C)(=O)=O ZINC000551635419 484950495 /nfs/dbraw/zinc/95/04/95/484950495.db2.gz VUFBRDLRUOYJMI-OLZOCXBDSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)S(C)(=O)=O ZINC000551635421 484950839 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COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000551785226 484955223 /nfs/dbraw/zinc/95/52/23/484955223.db2.gz VXCMXTWSNDNVDT-CQSZACIVSA-N 0 3 357.451 -0.476 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000551797416 484956563 /nfs/dbraw/zinc/95/65/63/484956563.db2.gz RAIGQNJSUMMWAX-UHFFFAOYSA-N 0 3 356.467 -0.412 20 0 FBADHN Cc1conc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000551798927 484445801 /nfs/dbraw/zinc/44/58/01/484445801.db2.gz AAYNNHSYYWPOKO-UHFFFAOYSA-N 0 3 351.407 0.030 20 0 FBADHN Cn1nccc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000551799151 484956211 /nfs/dbraw/zinc/95/62/11/484956211.db2.gz BFUNJBZUUFLBGC-UHFFFAOYSA-N 0 3 350.423 -0.533 20 0 FBADHN Cc1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)nn1C ZINC000551799476 484256686 /nfs/dbraw/zinc/25/66/86/484256686.db2.gz IIHJAGRXTOEPAU-UHFFFAOYSA-N 0 3 364.450 -0.225 20 0 FBADHN O=C(CNC(=O)C(=O)[N-]c1cnns1)NCC[NH+]1CCCCCC1 ZINC000551799518 484956262 /nfs/dbraw/zinc/95/62/62/484956262.db2.gz JRXSCLGDIYWTGU-UHFFFAOYSA-N 0 3 354.436 -0.415 20 0 FBADHN CCn1nccc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000551799654 484956299 /nfs/dbraw/zinc/95/62/99/484956299.db2.gz RFAIUIPRFVQJHI-UHFFFAOYSA-N 0 3 364.450 -0.050 20 0 FBADHN CCN(CCNC(=O)C(=O)NC1CCN(C(=O)COC)CC1)C1CC1 ZINC000551800811 484956819 /nfs/dbraw/zinc/95/68/19/484956819.db2.gz SFVJJCOYTGEATJ-UHFFFAOYSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000551802186 484956531 /nfs/dbraw/zinc/95/65/31/484956531.db2.gz PJRSJHNZWWRBJS-CYBMUJFWSA-N 0 3 356.467 -0.414 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000551802187 484956017 /nfs/dbraw/zinc/95/60/17/484956017.db2.gz PJRSJHNZWWRBJS-ZDUSSCGKSA-N 0 3 356.467 -0.414 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000551802394 484956045 /nfs/dbraw/zinc/95/60/45/484956045.db2.gz UXVLKUXUVKGISA-UHFFFAOYSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)CCOc1cc(NC(=O)CN2CCS(=O)(=O)CC2)ccn1 ZINC000551810541 484956864 /nfs/dbraw/zinc/95/68/64/484956864.db2.gz LBGSHSDXOYMMBH-UHFFFAOYSA-N 0 3 356.448 -0.309 20 0 FBADHN CN(CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CC1 ZINC000551835225 484958234 /nfs/dbraw/zinc/95/82/34/484958234.db2.gz MQYDEDYXMQNNQP-UHFFFAOYSA-N 0 3 364.450 -0.902 20 0 FBADHN CCCCOCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000551836929 484957830 /nfs/dbraw/zinc/95/78/30/484957830.db2.gz BQIWLGXLVWVGQE-UHFFFAOYSA-N 0 3 368.478 -0.314 20 0 FBADHN Cc1nccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000551858578 484959375 /nfs/dbraw/zinc/95/93/75/484959375.db2.gz PQSSGAGBGKFHHW-UHFFFAOYSA-N 0 3 374.445 -0.832 20 0 FBADHN Cn1cnnc1COCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000551876404 484961278 /nfs/dbraw/zinc/96/12/78/484961278.db2.gz OBOMGIQUAIAFJQ-CYBMUJFWSA-N 0 3 350.423 -0.903 20 0 FBADHN Cn1cnnc1COCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000551876405 484960917 /nfs/dbraw/zinc/96/09/17/484960917.db2.gz OBOMGIQUAIAFJQ-ZDUSSCGKSA-N 0 3 350.423 -0.903 20 0 FBADHN CCN1CCN(c2ccc(C(=O)NCC(=O)NCC(=O)OC)cc2)CC1 ZINC000551928251 484963426 /nfs/dbraw/zinc/96/34/26/484963426.db2.gz SENLOWYYELUFEH-UHFFFAOYSA-N 0 3 362.430 -0.153 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000551990969 484966404 /nfs/dbraw/zinc/96/64/04/484966404.db2.gz CIURWCSNAPPNSI-KBPBESRZSA-N 0 3 357.480 -0.172 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000551990970 484966686 /nfs/dbraw/zinc/96/66/86/484966686.db2.gz CIURWCSNAPPNSI-KGLIPLIRSA-N 0 3 357.480 -0.172 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000551990971 484966227 /nfs/dbraw/zinc/96/62/27/484966227.db2.gz CIURWCSNAPPNSI-UONOGXRCSA-N 0 3 357.480 -0.172 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000551990972 484967141 /nfs/dbraw/zinc/96/71/41/484967141.db2.gz CIURWCSNAPPNSI-ZIAGYGMSSA-N 0 3 357.480 -0.172 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000552025173 484970618 /nfs/dbraw/zinc/97/06/18/484970618.db2.gz BLWGYJBWKBOQCU-INIZCTEOSA-N 0 3 353.444 -0.219 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000552025174 484969319 /nfs/dbraw/zinc/96/93/19/484969319.db2.gz BLWGYJBWKBOQCU-MRXNPFEDSA-N 0 3 353.444 -0.219 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552026192 484969580 /nfs/dbraw/zinc/96/95/80/484969580.db2.gz AVHDNAONMNJOCO-INIZCTEOSA-N 0 3 369.443 -0.471 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552026193 484969338 /nfs/dbraw/zinc/96/93/38/484969338.db2.gz AVHDNAONMNJOCO-MRXNPFEDSA-N 0 3 369.443 -0.471 20 0 FBADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1COCCN1CC(F)(F)F ZINC000552027994 484970599 /nfs/dbraw/zinc/97/05/99/484970599.db2.gz ABHAIFWWPHTUFN-GXTWGEPZSA-N 0 3 351.369 -0.178 20 0 FBADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1COCCN1CC(F)(F)F ZINC000552027995 484970468 /nfs/dbraw/zinc/97/04/68/484970468.db2.gz ABHAIFWWPHTUFN-JSGCOSHPSA-N 0 3 351.369 -0.178 20 0 FBADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1COCCN1CC(F)(F)F ZINC000552027996 484969982 /nfs/dbraw/zinc/96/99/82/484969982.db2.gz ABHAIFWWPHTUFN-OCCSQVGLSA-N 0 3 351.369 -0.178 20 0 FBADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1COCCN1CC(F)(F)F ZINC000552027997 484969469 /nfs/dbraw/zinc/96/94/69/484969469.db2.gz ABHAIFWWPHTUFN-TZMCWYRMSA-N 0 3 351.369 -0.178 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccccc1)NC[C@]1(O)CN2CCC1CC2 ZINC000552028085 484969972 /nfs/dbraw/zinc/96/99/72/484969972.db2.gz HIDDKBQAJJUJPY-KRWDZBQOSA-N 0 3 367.471 -0.072 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccccc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000552028086 484970493 /nfs/dbraw/zinc/97/04/93/484970493.db2.gz HIDDKBQAJJUJPY-QGZVFWFLSA-N 0 3 367.471 -0.072 20 0 FBADHN COc1cccc(C(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000552077339 484971507 /nfs/dbraw/zinc/97/15/07/484971507.db2.gz GTXOWFOTBPSFRX-GFCCVEGCSA-N 0 3 350.419 -0.393 20 0 FBADHN COc1cccc(C(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000552077340 484971557 /nfs/dbraw/zinc/97/15/57/484971557.db2.gz GTXOWFOTBPSFRX-LBPRGKRZSA-N 0 3 350.419 -0.393 20 0 FBADHN C[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)NCCN(C)C ZINC000552081580 484971990 /nfs/dbraw/zinc/97/19/90/484971990.db2.gz NZIHZRYGRXSYJM-JTQLQIEISA-N 0 3 356.373 -0.123 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)NCCN(C)C ZINC000552081581 484971968 /nfs/dbraw/zinc/97/19/68/484971968.db2.gz NZIHZRYGRXSYJM-SNVBAGLBSA-N 0 3 356.373 -0.123 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)NCCN(C)C ZINC000552082094 484972033 /nfs/dbraw/zinc/97/20/33/484972033.db2.gz GFPNUXDHNJGHRZ-LLVKDONJSA-N 0 3 364.402 -0.672 20 0 FBADHN C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)NCCN(C)C ZINC000552082095 484971348 /nfs/dbraw/zinc/97/13/48/484971348.db2.gz GFPNUXDHNJGHRZ-NSHDSACASA-N 0 3 364.402 -0.672 20 0 FBADHN C[C@@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)NCCN(C)C ZINC000552082774 484972250 /nfs/dbraw/zinc/97/22/50/484972250.db2.gz BSJGKRKNNWTEDM-CYBMUJFWSA-N 0 3 364.446 -0.050 20 0 FBADHN C[C@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)NCCN(C)C ZINC000552082775 484971523 /nfs/dbraw/zinc/97/15/23/484971523.db2.gz BSJGKRKNNWTEDM-ZDUSSCGKSA-N 0 3 364.446 -0.050 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)NCCN(C)C ZINC000552082820 484971725 /nfs/dbraw/zinc/97/17/25/484971725.db2.gz DUCCSQLSUPJDJK-GFCCVEGCSA-N 0 3 352.410 -0.333 20 0 FBADHN C[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)NCCN(C)C ZINC000552082821 484971061 /nfs/dbraw/zinc/97/10/61/484971061.db2.gz DUCCSQLSUPJDJK-LBPRGKRZSA-N 0 3 352.410 -0.333 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2cncn2C)CC1=O ZINC000552103140 484972405 /nfs/dbraw/zinc/97/24/05/484972405.db2.gz CNROFAMQAJWFSU-AWEZNQCLSA-N 0 3 351.451 -0.352 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2cncn2C)CC1=O ZINC000552103141 484971332 /nfs/dbraw/zinc/97/13/32/484971332.db2.gz CNROFAMQAJWFSU-CQSZACIVSA-N 0 3 351.451 -0.352 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)CC1=O ZINC000552103530 484971747 /nfs/dbraw/zinc/97/17/47/484971747.db2.gz YPDUNWJODQEEQK-GDBMZVCRSA-N 0 3 356.467 -0.558 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)CC1=O ZINC000552103531 484971661 /nfs/dbraw/zinc/97/16/61/484971661.db2.gz YPDUNWJODQEEQK-GOEBONIOSA-N 0 3 356.467 -0.558 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)CC1=O ZINC000552103532 484972053 /nfs/dbraw/zinc/97/20/53/484972053.db2.gz YPDUNWJODQEEQK-HOCLYGCPSA-N 0 3 356.467 -0.558 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)CC1=O ZINC000552103533 484972263 /nfs/dbraw/zinc/97/22/63/484972263.db2.gz YPDUNWJODQEEQK-ZBFHGGJFSA-N 0 3 356.467 -0.558 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn3cccnc23)CC1=O ZINC000552103761 484971112 /nfs/dbraw/zinc/97/11/12/484971112.db2.gz BDTYWGVNZSWNOU-CYBMUJFWSA-N 0 3 360.418 -0.362 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn3cccnc23)CC1=O ZINC000552103762 484971621 /nfs/dbraw/zinc/97/16/21/484971621.db2.gz BDTYWGVNZSWNOU-ZDUSSCGKSA-N 0 3 360.418 -0.362 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)CNC(=O)c2ccco2)CC1=O ZINC000552103817 484972021 /nfs/dbraw/zinc/97/20/21/484972021.db2.gz FIKYAIZAFOVOFJ-CYBMUJFWSA-N 0 3 366.418 -0.695 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)CNC(=O)c2ccco2)CC1=O ZINC000552103818 484971364 /nfs/dbraw/zinc/97/13/64/484971364.db2.gz FIKYAIZAFOVOFJ-ZDUSSCGKSA-N 0 3 366.418 -0.695 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2nnc3ccccc3n2)CC1=O ZINC000552106448 484971890 /nfs/dbraw/zinc/97/18/90/484971890.db2.gz FMIMQPAKLMXSMU-CYBMUJFWSA-N 0 3 372.429 -0.066 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2nnc3ccccc3n2)CC1=O ZINC000552106449 484972207 /nfs/dbraw/zinc/97/22/07/484972207.db2.gz FMIMQPAKLMXSMU-ZDUSSCGKSA-N 0 3 372.429 -0.066 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(OC)nn2)CC1=O ZINC000552106570 484972067 /nfs/dbraw/zinc/97/20/67/484972067.db2.gz JKJBAGAIWFVEAS-GFCCVEGCSA-N 0 3 351.407 -0.606 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(OC)nn2)CC1=O ZINC000552106571 484971600 /nfs/dbraw/zinc/97/16/00/484971600.db2.gz JKJBAGAIWFVEAS-LBPRGKRZSA-N 0 3 351.407 -0.606 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)CC1=O ZINC000552106706 484971382 /nfs/dbraw/zinc/97/13/82/484971382.db2.gz NNUKHGNJMQPJFO-HNNXBMFYSA-N 0 3 362.430 -0.306 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(C(N)=O)c2)CC1=O ZINC000552106707 484971540 /nfs/dbraw/zinc/97/15/40/484971540.db2.gz NNUKHGNJMQPJFO-OAHLLOKOSA-N 0 3 362.430 -0.306 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCN2C2CC2)CC1=O ZINC000552107838 484971416 /nfs/dbraw/zinc/97/14/16/484971416.db2.gz VKZKIXBFLGRJET-GDBMZVCRSA-N 0 3 352.479 -0.092 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCCN2C2CC2)CC1=O ZINC000552107839 484972319 /nfs/dbraw/zinc/97/23/19/484972319.db2.gz VKZKIXBFLGRJET-GOEBONIOSA-N 0 3 352.479 -0.092 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C2CC2)CC1=O ZINC000552107840 484971286 /nfs/dbraw/zinc/97/12/86/484971286.db2.gz VKZKIXBFLGRJET-HOCLYGCPSA-N 0 3 352.479 -0.092 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCN2C2CC2)CC1=O ZINC000552107841 484972138 /nfs/dbraw/zinc/97/21/38/484972138.db2.gz VKZKIXBFLGRJET-ZBFHGGJFSA-N 0 3 352.479 -0.092 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)CC1=O ZINC000552112119 484972375 /nfs/dbraw/zinc/97/23/75/484972375.db2.gz LRWCHXBVDPXWNM-CABCVRRESA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)CC1=O ZINC000552112120 484972350 /nfs/dbraw/zinc/97/23/50/484972350.db2.gz LRWCHXBVDPXWNM-GJZGRUSLSA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)CC1=O ZINC000552112121 484971039 /nfs/dbraw/zinc/97/10/39/484971039.db2.gz LRWCHXBVDPXWNM-HUUCEWRRSA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)CC1=O ZINC000552112122 484971908 /nfs/dbraw/zinc/97/19/08/484971908.db2.gz LRWCHXBVDPXWNM-LSDHHAIUSA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2nc(C)cc2C)CC1=O ZINC000552112436 484971480 /nfs/dbraw/zinc/97/14/80/484971480.db2.gz AXLLQVATVHHQEP-HNNXBMFYSA-N 0 3 351.451 -0.205 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2nc(C)cc2C)CC1=O ZINC000552112437 484972093 /nfs/dbraw/zinc/97/20/93/484972093.db2.gz AXLLQVATVHHQEP-OAHLLOKOSA-N 0 3 351.451 -0.205 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000552122610 484973647 /nfs/dbraw/zinc/97/36/47/484973647.db2.gz DPCMBMRFUKJZSZ-HNNXBMFYSA-N 0 3 369.447 -0.730 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000552122611 484973563 /nfs/dbraw/zinc/97/35/63/484973563.db2.gz DPCMBMRFUKJZSZ-OAHLLOKOSA-N 0 3 369.447 -0.730 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000552139839 484973170 /nfs/dbraw/zinc/97/31/70/484973170.db2.gz LGDBPEANVHAWSX-UHFFFAOYSA-N 0 3 363.528 -0.886 20 0 FBADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)no1 ZINC000552155095 484346947 /nfs/dbraw/zinc/34/69/47/484346947.db2.gz GUWRJAUBJFPDQA-SRVKXCTJSA-N 0 3 356.448 0.177 20 0 FBADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)no1 ZINC000552155096 484338457 /nfs/dbraw/zinc/33/84/57/484338457.db2.gz GUWRJAUBJFPDQA-WOPDTQHZSA-N 0 3 356.448 0.177 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)ccc1OC ZINC000552157678 484972937 /nfs/dbraw/zinc/97/29/37/484972937.db2.gz YCYYWCCPESFSDA-RYUDHWBXSA-N 0 3 357.432 -0.650 20 0 FBADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C[C@@H]1O ZINC000552157738 484972815 /nfs/dbraw/zinc/97/28/15/484972815.db2.gz ZPWZSPCNGJPIPV-FZKCQIBNSA-N 0 3 351.447 -0.439 20 0 FBADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C[C@@H]1O ZINC000552157739 484973122 /nfs/dbraw/zinc/97/31/22/484973122.db2.gz ZPWZSPCNGJPIPV-UGUYLWEFSA-N 0 3 351.447 -0.439 20 0 FBADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C[C@@H]1O ZINC000552157740 484973534 /nfs/dbraw/zinc/97/35/34/484973534.db2.gz ZPWZSPCNGJPIPV-VGWMRTNUSA-N 0 3 351.447 -0.439 20 0 FBADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C[C@@H]1O ZINC000552157741 484973782 /nfs/dbraw/zinc/97/37/82/484973782.db2.gz ZPWZSPCNGJPIPV-WCVJEAGWSA-N 0 3 351.447 -0.439 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1(C)C ZINC000552176290 484976186 /nfs/dbraw/zinc/97/61/86/484976186.db2.gz BRCIVKHMDBBBNY-AWEZNQCLSA-N 0 3 351.495 -0.519 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1(C)C ZINC000552176294 484975498 /nfs/dbraw/zinc/97/54/98/484975498.db2.gz BRCIVKHMDBBBNY-CQSZACIVSA-N 0 3 351.495 -0.519 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000552176473 484975348 /nfs/dbraw/zinc/97/53/48/484975348.db2.gz HAXBIANBQDDTIV-HNNXBMFYSA-N 0 3 351.495 -0.565 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000552176474 484975415 /nfs/dbraw/zinc/97/54/15/484975415.db2.gz HAXBIANBQDDTIV-OAHLLOKOSA-N 0 3 351.495 -0.565 20 0 FBADHN O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000552176607 484974897 /nfs/dbraw/zinc/97/48/97/484974897.db2.gz LIJQJXLAFQKOHR-HOTGVXAUSA-N 0 3 364.490 -0.090 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000552176608 484975098 /nfs/dbraw/zinc/97/50/98/484975098.db2.gz LIJQJXLAFQKOHR-JKSUJKDBSA-N 0 3 364.490 -0.090 20 0 FBADHN O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000552177378 484975926 /nfs/dbraw/zinc/97/59/26/484975926.db2.gz LIJQJXLAFQKOHR-CVEARBPZSA-N 0 3 364.490 -0.090 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000552177379 484976245 /nfs/dbraw/zinc/97/62/45/484976245.db2.gz LIJQJXLAFQKOHR-HZPDHXFCSA-N 0 3 364.490 -0.090 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552206403 484977909 /nfs/dbraw/zinc/97/79/09/484977909.db2.gz SKKCBJAEUGRJEJ-GOSISDBHSA-N 0 3 364.446 -0.186 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552206404 484977199 /nfs/dbraw/zinc/97/71/99/484977199.db2.gz SKKCBJAEUGRJEJ-SFHVURJKSA-N 0 3 364.446 -0.186 20 0 FBADHN CN(CC(=O)NC[C@]1(O)CN2CCC1CC2)S(=O)(=O)c1ccccc1 ZINC000552208078 484976828 /nfs/dbraw/zinc/97/68/28/484976828.db2.gz CZKRQWNBHQDTBT-KRWDZBQOSA-N 0 3 367.471 -0.120 20 0 FBADHN CN(CC(=O)NC[C@@]1(O)CN2CCC1CC2)S(=O)(=O)c1ccccc1 ZINC000552208080 484977135 /nfs/dbraw/zinc/97/71/35/484977135.db2.gz CZKRQWNBHQDTBT-QGZVFWFLSA-N 0 3 367.471 -0.120 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000552208273 484976926 /nfs/dbraw/zinc/97/69/26/484976926.db2.gz JMQQAEKVDDSLLS-INIZCTEOSA-N 0 3 353.444 -0.219 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000552208274 484978876 /nfs/dbraw/zinc/97/88/76/484978876.db2.gz JMQQAEKVDDSLLS-MRXNPFEDSA-N 0 3 353.444 -0.219 20 0 FBADHN C[C@]1(c2ccc(C(=O)NC[C@]3(O)CN4CCC3CC4)cc2)NC(=O)NC1=O ZINC000552208558 484978822 /nfs/dbraw/zinc/97/88/22/484978822.db2.gz RUZWLMQOLNNDHO-MOPGFXCFSA-N 0 3 372.425 -0.072 20 0 FBADHN C[C@@]1(c2ccc(C(=O)NC[C@]3(O)CN4CCC3CC4)cc2)NC(=O)NC1=O ZINC000552208559 484978302 /nfs/dbraw/zinc/97/83/02/484978302.db2.gz RUZWLMQOLNNDHO-OALUTQOASA-N 0 3 372.425 -0.072 20 0 FBADHN C[C@@]1(c2ccc(C(=O)NC[C@@]3(O)CN4CCC3CC4)cc2)NC(=O)NC1=O ZINC000552208560 484978737 /nfs/dbraw/zinc/97/87/37/484978737.db2.gz RUZWLMQOLNNDHO-RBUKOAKNSA-N 0 3 372.425 -0.072 20 0 FBADHN C[C@]1(c2ccc(C(=O)NC[C@@]3(O)CN4CCC3CC4)cc2)NC(=O)NC1=O ZINC000552208561 484979089 /nfs/dbraw/zinc/97/90/89/484979089.db2.gz RUZWLMQOLNNDHO-RTBURBONSA-N 0 3 372.425 -0.072 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000552290811 484980053 /nfs/dbraw/zinc/98/00/53/484980053.db2.gz JRKYXOUTHVHQCJ-LLVKDONJSA-N 0 3 354.373 -0.566 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000552290812 484980672 /nfs/dbraw/zinc/98/06/72/484980672.db2.gz JRKYXOUTHVHQCJ-NSHDSACASA-N 0 3 354.373 -0.566 20 0 FBADHN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NCCN(C)C ZINC000552302974 484980622 /nfs/dbraw/zinc/98/06/22/484980622.db2.gz IXHFINMCFBLKTO-GFCCVEGCSA-N 0 3 370.475 -0.267 20 0 FBADHN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NCCN(C)C ZINC000552302978 484979852 /nfs/dbraw/zinc/97/98/52/484979852.db2.gz IXHFINMCFBLKTO-LBPRGKRZSA-N 0 3 370.475 -0.267 20 0 FBADHN C[C@@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)NCCN(C)C ZINC000552303032 484980094 /nfs/dbraw/zinc/98/00/94/484980094.db2.gz JTUWODJTCUVMCU-LLVKDONJSA-N 0 3 352.439 -0.311 20 0 FBADHN C[C@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(=O)NCCN(C)C ZINC000552303040 484980066 /nfs/dbraw/zinc/98/00/66/484980066.db2.gz JTUWODJTCUVMCU-NSHDSACASA-N 0 3 352.439 -0.311 20 0 FBADHN C[C@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C(=O)NCCN(C)C ZINC000552303054 484980483 /nfs/dbraw/zinc/98/04/83/484980483.db2.gz KAKIERSCJSPSSM-AWEZNQCLSA-N 0 3 364.494 -0.185 20 0 FBADHN C[C@@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C(=O)NCCN(C)C ZINC000552303055 484980646 /nfs/dbraw/zinc/98/06/46/484980646.db2.gz KAKIERSCJSPSSM-CQSZACIVSA-N 0 3 364.494 -0.185 20 0 FBADHN C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)NCCN(C)C ZINC000552309237 484980173 /nfs/dbraw/zinc/98/01/73/484980173.db2.gz BDFSYKSAJWIRHJ-GFCCVEGCSA-N 0 3 360.418 -0.636 20 0 FBADHN C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)NCCN(C)C ZINC000552309238 484980472 /nfs/dbraw/zinc/98/04/72/484980472.db2.gz BDFSYKSAJWIRHJ-LBPRGKRZSA-N 0 3 360.418 -0.636 20 0 FBADHN CCOc1ccc(C(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000552309290 484980129 /nfs/dbraw/zinc/98/01/29/484980129.db2.gz CWEATKANOBFLJU-CYBMUJFWSA-N 0 3 364.446 -0.002 20 0 FBADHN CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000552309291 484980258 /nfs/dbraw/zinc/98/02/58/484980258.db2.gz CWEATKANOBFLJU-ZDUSSCGKSA-N 0 3 364.446 -0.002 20 0 FBADHN C[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN(C)C ZINC000552310619 484980613 /nfs/dbraw/zinc/98/06/13/484980613.db2.gz DLKPTUZLSAKPEC-GFCCVEGCSA-N 0 3 367.450 -0.576 20 0 FBADHN C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN(C)C ZINC000552310620 484980590 /nfs/dbraw/zinc/98/05/90/484980590.db2.gz DLKPTUZLSAKPEC-LBPRGKRZSA-N 0 3 367.450 -0.576 20 0 FBADHN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)C(=O)NCCN(C)C)CC1 ZINC000552311159 484979636 /nfs/dbraw/zinc/97/96/36/484979636.db2.gz YEUDMHHKGUSUMD-GFCCVEGCSA-N 0 3 362.496 -0.769 20 0 FBADHN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCCN(C)C)CC1 ZINC000552311160 484981590 /nfs/dbraw/zinc/98/15/90/484981590.db2.gz YEUDMHHKGUSUMD-LBPRGKRZSA-N 0 3 362.496 -0.769 20 0 FBADHN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)C(=O)NCCN(C)C)cnn1C ZINC000552311215 484981461 /nfs/dbraw/zinc/98/14/61/484981461.db2.gz ZWWUTEMAYLKKND-WHOFXGATSA-N 0 3 351.451 -0.011 20 0 FBADHN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C)C(=O)NCCN(C)C)cnn1C ZINC000552311216 484981423 /nfs/dbraw/zinc/98/14/23/484981423.db2.gz ZWWUTEMAYLKKND-ZLDLUXBVSA-N 0 3 351.451 -0.011 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000552343324 484981889 /nfs/dbraw/zinc/98/18/89/484981889.db2.gz DIWMVUILZWCRQX-HNNXBMFYSA-N 0 3 368.478 -0.460 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000552343325 484982207 /nfs/dbraw/zinc/98/22/07/484982207.db2.gz DIWMVUILZWCRQX-OAHLLOKOSA-N 0 3 368.478 -0.460 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)N1CCC(C)CC1 ZINC000552343662 484981704 /nfs/dbraw/zinc/98/17/04/484981704.db2.gz LBBZPZWJCNLXQY-CHWSQXEVSA-N 0 3 360.480 -0.888 20 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FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1=O ZINC000554191309 485081804 /nfs/dbraw/zinc/08/18/04/485081804.db2.gz IDQWCXGVPWFHML-CABCVRRESA-N 0 3 368.478 -0.271 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1=O ZINC000554191310 485081546 /nfs/dbraw/zinc/08/15/46/485081546.db2.gz IDQWCXGVPWFHML-GJZGRUSLSA-N 0 3 368.478 -0.271 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1=O ZINC000554191311 485080991 /nfs/dbraw/zinc/08/09/91/485080991.db2.gz IDQWCXGVPWFHML-HUUCEWRRSA-N 0 3 368.478 -0.271 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1=O ZINC000554191312 485081012 /nfs/dbraw/zinc/08/10/12/485081012.db2.gz IDQWCXGVPWFHML-LSDHHAIUSA-N 0 3 368.478 -0.271 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1=O ZINC000554191675 485081782 /nfs/dbraw/zinc/08/17/82/485081782.db2.gz MAMIVQLNCVEITR-HNNXBMFYSA-N 0 3 367.494 -0.792 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1=O ZINC000554191676 485081259 /nfs/dbraw/zinc/08/12/59/485081259.db2.gz MAMIVQLNCVEITR-OAHLLOKOSA-N 0 3 367.494 -0.792 20 0 FBADHN CC[C@H]1COCCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000554194665 485081210 /nfs/dbraw/zinc/08/12/10/485081210.db2.gz KWOJIWHYXAIZBU-INIZCTEOSA-N 0 3 370.494 -0.870 20 0 FBADHN CC[C@@H]1COCCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000554194667 485081826 /nfs/dbraw/zinc/08/18/26/485081826.db2.gz KWOJIWHYXAIZBU-MRXNPFEDSA-N 0 3 370.494 -0.870 20 0 FBADHN CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000554194837 485081431 /nfs/dbraw/zinc/08/14/31/485081431.db2.gz ZEGGIIFJWPADLW-KBPBESRZSA-N 0 3 368.478 -0.284 20 0 FBADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000554194838 485081194 /nfs/dbraw/zinc/08/11/94/485081194.db2.gz ZEGGIIFJWPADLW-KGLIPLIRSA-N 0 3 368.478 -0.284 20 0 FBADHN CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000554194839 485081242 /nfs/dbraw/zinc/08/12/42/485081242.db2.gz ZEGGIIFJWPADLW-UONOGXRCSA-N 0 3 368.478 -0.284 20 0 FBADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000554194840 485081479 /nfs/dbraw/zinc/08/14/79/485081479.db2.gz ZEGGIIFJWPADLW-ZIAGYGMSSA-N 0 3 368.478 -0.284 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CCO1 ZINC000554200950 485081698 /nfs/dbraw/zinc/08/16/98/485081698.db2.gz UXWBHUVGQMAFHF-INIZCTEOSA-N 0 3 370.494 -0.870 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CCO1 ZINC000554200951 485081506 /nfs/dbraw/zinc/08/15/06/485081506.db2.gz UXWBHUVGQMAFHF-MRXNPFEDSA-N 0 3 370.494 -0.870 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000554204603 485081094 /nfs/dbraw/zinc/08/10/94/485081094.db2.gz FTOOBGVMNVZVMB-CHWSQXEVSA-N 0 3 360.480 -0.744 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000554204604 485081449 /nfs/dbraw/zinc/08/14/49/485081449.db2.gz FTOOBGVMNVZVMB-OLZOCXBDSA-N 0 3 360.480 -0.744 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000554204605 485081927 /nfs/dbraw/zinc/08/19/27/485081927.db2.gz FTOOBGVMNVZVMB-QWHCGFSZSA-N 0 3 360.480 -0.744 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000554204606 485081945 /nfs/dbraw/zinc/08/19/45/485081945.db2.gz FTOOBGVMNVZVMB-STQMWFEESA-N 0 3 360.480 -0.744 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000554205511 485081230 /nfs/dbraw/zinc/08/12/30/485081230.db2.gz HLCQBMUGVZDGIE-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000554205516 485081036 /nfs/dbraw/zinc/08/10/36/485081036.db2.gz HLCQBMUGVZDGIE-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN Cc1c(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cnn1C ZINC000554217256 485082401 /nfs/dbraw/zinc/08/24/01/485082401.db2.gz UJXHSNDEVJTKAM-UHFFFAOYSA-N 0 3 350.467 -0.513 20 0 FBADHN O=C(CCN1CCCS1(=O)=O)NCC(=O)NCCN1CCCCCC1 ZINC000554218516 485082900 /nfs/dbraw/zinc/08/29/00/485082900.db2.gz JVPYOGISSYNYJC-UHFFFAOYSA-N 0 3 374.507 -0.480 20 0 FBADHN NC(=O)N1CCC[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000554219527 485083158 /nfs/dbraw/zinc/08/31/58/485083158.db2.gz WMFCONFXOAWMQU-AWEZNQCLSA-N 0 3 353.467 -0.115 20 0 FBADHN NC(=O)N1CCC[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000554219528 485083114 /nfs/dbraw/zinc/08/31/14/485083114.db2.gz WMFCONFXOAWMQU-CQSZACIVSA-N 0 3 353.467 -0.115 20 0 FBADHN COC(=O)c1cn(CC(=O)NCC(=O)NCCN2CCCCCC2)nn1 ZINC000554229087 485083129 /nfs/dbraw/zinc/08/31/29/485083129.db2.gz DXPSKXDLPUNBLY-UHFFFAOYSA-N 0 3 366.422 -0.827 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000554231262 485082987 /nfs/dbraw/zinc/08/29/87/485082987.db2.gz WCCFFSDNZDSMLD-KBPBESRZSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000554231264 485082956 /nfs/dbraw/zinc/08/29/56/485082956.db2.gz WCCFFSDNZDSMLD-KGLIPLIRSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000554231265 485083084 /nfs/dbraw/zinc/08/30/84/485083084.db2.gz WCCFFSDNZDSMLD-UONOGXRCSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000554231266 485082978 /nfs/dbraw/zinc/08/29/78/485082978.db2.gz WCCFFSDNZDSMLD-ZIAGYGMSSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)S(=O)(=O)CCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554231807 485082349 /nfs/dbraw/zinc/08/23/49/485082349.db2.gz ZDWDZDUSVXKZHR-UHFFFAOYSA-N 0 3 362.496 -0.624 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](NC(=O)NC)C1 ZINC000554231973 485082942 /nfs/dbraw/zinc/08/29/42/485082942.db2.gz FUBCLQUAVBVPPW-KBPBESRZSA-N 0 3 353.467 -0.103 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC)C1 ZINC000554231974 485082588 /nfs/dbraw/zinc/08/25/88/485082588.db2.gz FUBCLQUAVBVPPW-KGLIPLIRSA-N 0 3 353.467 -0.103 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](NC(=O)NC)C1 ZINC000554231975 485082386 /nfs/dbraw/zinc/08/23/86/485082386.db2.gz FUBCLQUAVBVPPW-UONOGXRCSA-N 0 3 353.467 -0.103 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC)C1 ZINC000554231976 485082738 /nfs/dbraw/zinc/08/27/38/485082738.db2.gz FUBCLQUAVBVPPW-ZIAGYGMSSA-N 0 3 353.467 -0.103 20 0 FBADHN O=C(CCC(=O)N1CCOCC1)NCC(=O)NCCN1CCCCCC1 ZINC000554233165 485082692 /nfs/dbraw/zinc/08/26/92/485082692.db2.gz RHHVTFAZUUQDCE-UHFFFAOYSA-N 0 3 368.478 -0.266 20 0 FBADHN C[C@H](C(=O)NCC(=O)NCCN1CCCCCC1)N1C(=O)CCC1=O ZINC000554234134 485083033 /nfs/dbraw/zinc/08/30/33/485083033.db2.gz VYNYAPAZMYMBJU-CYBMUJFWSA-N 0 3 352.435 -0.368 20 0 FBADHN C[C@@H](C(=O)NCC(=O)NCCN1CCCCCC1)N1C(=O)CCC1=O ZINC000554234140 485083143 /nfs/dbraw/zinc/08/31/43/485083143.db2.gz VYNYAPAZMYMBJU-ZDUSSCGKSA-N 0 3 352.435 -0.368 20 0 FBADHN Cn1cnnc1COCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554234337 485082311 /nfs/dbraw/zinc/08/23/11/485082311.db2.gz YLIGFDOXPISZSJ-UHFFFAOYSA-N 0 3 352.439 -0.560 20 0 FBADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000554247626 484432802 /nfs/dbraw/zinc/43/28/02/484432802.db2.gz ZWHABVNPWIXAAE-AWEZNQCLSA-N 0 3 366.466 0.546 20 0 FBADHN CC[C@H](C(=O)OC)N1CCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000554247628 484445765 /nfs/dbraw/zinc/44/57/65/484445765.db2.gz ZWHABVNPWIXAAE-CQSZACIVSA-N 0 3 366.466 0.546 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCO1 ZINC000554252969 485083842 /nfs/dbraw/zinc/08/38/42/485083842.db2.gz IAFNZGBJBUTYRK-GOSISDBHSA-N 0 3 366.462 -0.562 20 0 FBADHN C[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCO1 ZINC000554252970 485084027 /nfs/dbraw/zinc/08/40/27/485084027.db2.gz IAFNZGBJBUTYRK-SFHVURJKSA-N 0 3 366.462 -0.562 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000554258682 485083868 /nfs/dbraw/zinc/08/38/68/485083868.db2.gz UGBSMJBJAUMLGH-AWEZNQCLSA-N 0 3 367.494 -0.935 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000554258689 485083925 /nfs/dbraw/zinc/08/39/25/485083925.db2.gz UGBSMJBJAUMLGH-CQSZACIVSA-N 0 3 367.494 -0.935 20 0 FBADHN CCN1CCC(NC(=O)CN2CCN(S(=O)(=O)CC)C[C@H]2C)CC1 ZINC000554276039 485085231 /nfs/dbraw/zinc/08/52/31/485085231.db2.gz MAQBETFXIPEPCL-CQSZACIVSA-N 0 3 360.524 -0.057 20 0 FBADHN CC(C)[C@@H](CNC(=O)N1CCN(C[C@H](C)O)CC1)N1CCN(C)CC1 ZINC000554288744 485085027 /nfs/dbraw/zinc/08/50/27/485085027.db2.gz RGEZGJBKEDVNGP-DLBZAZTESA-N 0 3 355.527 -0.034 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN(C[C@H](C)O)CC1)N1CCN(C)CC1 ZINC000554288745 485085628 /nfs/dbraw/zinc/08/56/28/485085628.db2.gz RGEZGJBKEDVNGP-IRXDYDNUSA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCN1C ZINC000554336156 485086336 /nfs/dbraw/zinc/08/63/36/485086336.db2.gz VMCDEZQFWRMLLE-CABCVRRESA-N 0 3 373.457 -0.035 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCN1C ZINC000554336157 485086682 /nfs/dbraw/zinc/08/66/82/485086682.db2.gz VMCDEZQFWRMLLE-GJZGRUSLSA-N 0 3 373.457 -0.035 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCN1C ZINC000554336158 485086255 /nfs/dbraw/zinc/08/62/55/485086255.db2.gz VMCDEZQFWRMLLE-HUUCEWRRSA-N 0 3 373.457 -0.035 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCN1C ZINC000554336159 485086640 /nfs/dbraw/zinc/08/66/40/485086640.db2.gz VMCDEZQFWRMLLE-LSDHHAIUSA-N 0 3 373.457 -0.035 20 0 FBADHN CCOC(=O)CN(C)C(=O)CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000554336581 485086372 /nfs/dbraw/zinc/08/63/72/485086372.db2.gz GFSMAEBSBGDREB-UHFFFAOYSA-N 0 3 356.467 -0.602 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1C ZINC000554337419 485088586 /nfs/dbraw/zinc/08/85/86/485088586.db2.gz WCHOTJLGGXWQKJ-GMTAPVOTSA-N 0 3 364.368 -0.135 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CCN1C ZINC000554337420 485088562 /nfs/dbraw/zinc/08/85/62/485088562.db2.gz WCHOTJLGGXWQKJ-MXWKQRLJSA-N 0 3 364.368 -0.135 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1C ZINC000554337421 485087873 /nfs/dbraw/zinc/08/78/73/485087873.db2.gz WCHOTJLGGXWQKJ-OUAUKWLOSA-N 0 3 364.368 -0.135 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CCN1C ZINC000554337422 485089015 /nfs/dbraw/zinc/08/90/15/485089015.db2.gz WCHOTJLGGXWQKJ-VWYCJHECSA-N 0 3 364.368 -0.135 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000554341962 485088251 /nfs/dbraw/zinc/08/82/51/485088251.db2.gz WRFIMBBCUMIFSN-CYBMUJFWSA-N 0 3 359.496 -0.253 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000554342691 485088386 /nfs/dbraw/zinc/08/83/86/485088386.db2.gz IXKVHOSEFZWUEJ-INIZCTEOSA-N 0 3 367.538 -0.071 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000554342692 485087806 /nfs/dbraw/zinc/08/78/06/485087806.db2.gz IXKVHOSEFZWUEJ-MRXNPFEDSA-N 0 3 367.538 -0.071 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000554342757 485088286 /nfs/dbraw/zinc/08/82/86/485088286.db2.gz DLURDYMHEFPTNT-CVEARBPZSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000554342758 485088058 /nfs/dbraw/zinc/08/80/58/485088058.db2.gz DLURDYMHEFPTNT-HOTGVXAUSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000554342759 485088934 /nfs/dbraw/zinc/08/89/34/485088934.db2.gz DLURDYMHEFPTNT-HZPDHXFCSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000554342760 485087532 /nfs/dbraw/zinc/08/75/32/485087532.db2.gz DLURDYMHEFPTNT-JKSUJKDBSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000554342762 485087597 /nfs/dbraw/zinc/08/75/97/485087597.db2.gz DUJFIHCCJIAKFZ-HNNXBMFYSA-N 0 3 353.511 -0.319 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000554342763 485089152 /nfs/dbraw/zinc/08/91/52/485089152.db2.gz DUJFIHCCJIAKFZ-OAHLLOKOSA-N 0 3 353.511 -0.319 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000554343410 485088720 /nfs/dbraw/zinc/08/87/20/485088720.db2.gz USHYTDIUCYVHOR-CVEARBPZSA-N 0 3 353.511 -0.271 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000554343411 485087560 /nfs/dbraw/zinc/08/75/60/485087560.db2.gz USHYTDIUCYVHOR-HOTGVXAUSA-N 0 3 353.511 -0.271 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000554343413 485089100 /nfs/dbraw/zinc/08/91/00/485089100.db2.gz USHYTDIUCYVHOR-HZPDHXFCSA-N 0 3 353.511 -0.271 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000554343415 485087978 /nfs/dbraw/zinc/08/79/78/485087978.db2.gz USHYTDIUCYVHOR-JKSUJKDBSA-N 0 3 353.511 -0.271 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000554343810 485088405 /nfs/dbraw/zinc/08/84/05/485088405.db2.gz VGACXNZCADYLHV-IHRRRGAJSA-N 0 3 354.451 -0.661 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000554343811 485089258 /nfs/dbraw/zinc/08/92/58/485089258.db2.gz VGACXNZCADYLHV-MCIONIFRSA-N 0 3 354.451 -0.661 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000554343812 485087616 /nfs/dbraw/zinc/08/76/16/485087616.db2.gz VGACXNZCADYLHV-MJBXVCDLSA-N 0 3 354.451 -0.661 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000554343813 485088267 /nfs/dbraw/zinc/08/82/67/485088267.db2.gz VGACXNZCADYLHV-RDBSUJKOSA-N 0 3 354.451 -0.661 20 0 FBADHN Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000554343853 485088071 /nfs/dbraw/zinc/08/80/71/485088071.db2.gz WRSGSDYRTFSUEK-HNNXBMFYSA-N 0 3 350.467 -0.598 20 0 FBADHN Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000554343854 485087789 /nfs/dbraw/zinc/08/77/89/485087789.db2.gz WRSGSDYRTFSUEK-OAHLLOKOSA-N 0 3 350.467 -0.598 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCN1C ZINC000554344711 484530363 /nfs/dbraw/zinc/53/03/63/484530363.db2.gz WUYYBTWDOVSXNN-GHMZBOCLSA-N 0 3 367.479 -0.632 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCN1C ZINC000554344712 484530004 /nfs/dbraw/zinc/53/00/04/484530004.db2.gz WUYYBTWDOVSXNN-MNOVXSKESA-N 0 3 367.479 -0.632 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCN1C ZINC000554344713 484537991 /nfs/dbraw/zinc/53/79/91/484537991.db2.gz WUYYBTWDOVSXNN-QWRGUYRKSA-N 0 3 367.479 -0.632 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCN1C ZINC000554344714 484538300 /nfs/dbraw/zinc/53/83/00/484538300.db2.gz WUYYBTWDOVSXNN-WDEREUQCSA-N 0 3 367.479 -0.632 20 0 FBADHN Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CN(C)CCN3C)CC2)c1 ZINC000554344832 485087447 /nfs/dbraw/zinc/08/74/47/485087447.db2.gz ZFPWTTFFXVWMJX-INIZCTEOSA-N 0 3 374.489 -0.599 20 0 FBADHN Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CC2)c1 ZINC000554344833 485088222 /nfs/dbraw/zinc/08/82/22/485088222.db2.gz ZFPWTTFFXVWMJX-MRXNPFEDSA-N 0 3 374.489 -0.599 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000554351615 485088357 /nfs/dbraw/zinc/08/83/57/485088357.db2.gz DMSBOVDGOQLOOT-CVEARBPZSA-N 0 3 370.494 -0.560 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000554351616 485087920 /nfs/dbraw/zinc/08/79/20/485087920.db2.gz DMSBOVDGOQLOOT-HOTGVXAUSA-N 0 3 370.494 -0.560 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000554351617 485087755 /nfs/dbraw/zinc/08/77/55/485087755.db2.gz DMSBOVDGOQLOOT-HZPDHXFCSA-N 0 3 370.494 -0.560 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000554351618 485087660 /nfs/dbraw/zinc/08/76/60/485087660.db2.gz DMSBOVDGOQLOOT-JKSUJKDBSA-N 0 3 370.494 -0.560 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000554399558 485091387 /nfs/dbraw/zinc/09/13/87/485091387.db2.gz GCDKOTWJFLFRFF-CABCVRRESA-N 0 3 370.494 -0.214 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000554399559 485091808 /nfs/dbraw/zinc/09/18/08/485091808.db2.gz GCDKOTWJFLFRFF-GJZGRUSLSA-N 0 3 370.494 -0.214 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000554399560 485091594 /nfs/dbraw/zinc/09/15/94/485091594.db2.gz GCDKOTWJFLFRFF-HUUCEWRRSA-N 0 3 370.494 -0.214 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000554399561 485091904 /nfs/dbraw/zinc/09/19/04/485091904.db2.gz GCDKOTWJFLFRFF-LSDHHAIUSA-N 0 3 370.494 -0.214 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1C ZINC000554428202 485091494 /nfs/dbraw/zinc/09/14/94/485091494.db2.gz VQGZEVNEARVGDT-DLBZAZTESA-N 0 3 368.522 -0.003 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1C ZINC000554428205 485091462 /nfs/dbraw/zinc/09/14/62/485091462.db2.gz VQGZEVNEARVGDT-IAGOWNOFSA-N 0 3 368.522 -0.003 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC[C@@H]1C ZINC000554428206 485091553 /nfs/dbraw/zinc/09/15/53/485091553.db2.gz VQGZEVNEARVGDT-IRXDYDNUSA-N 0 3 368.522 -0.003 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1C ZINC000554428207 485091644 /nfs/dbraw/zinc/09/16/44/485091644.db2.gz VQGZEVNEARVGDT-SJORKVTESA-N 0 3 368.522 -0.003 20 0 FBADHN C[C@H]1CSCCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000554437514 485093249 /nfs/dbraw/zinc/09/32/49/485093249.db2.gz JTHQUWUUNYOUAU-HNNXBMFYSA-N 0 3 372.535 -0.543 20 0 FBADHN C[C@@H]1CSCCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000554437515 485092828 /nfs/dbraw/zinc/09/28/28/485092828.db2.gz JTHQUWUUNYOUAU-OAHLLOKOSA-N 0 3 372.535 -0.543 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000554437527 485092658 /nfs/dbraw/zinc/09/26/58/485092658.db2.gz KIBZJPHDHULGBV-CVEARBPZSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@H]1C ZINC000554437528 485092789 /nfs/dbraw/zinc/09/27/89/485092789.db2.gz KIBZJPHDHULGBV-HOTGVXAUSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@H]1OCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]1C ZINC000554437529 485092948 /nfs/dbraw/zinc/09/29/48/485092948.db2.gz KIBZJPHDHULGBV-HZPDHXFCSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@H]1OCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@H]1C ZINC000554437530 485092863 /nfs/dbraw/zinc/09/28/63/485092863.db2.gz KIBZJPHDHULGBV-JKSUJKDBSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000554437719 485092922 /nfs/dbraw/zinc/09/29/22/485092922.db2.gz NXUAKSBUGBHOJP-CVEARBPZSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)CO1 ZINC000554437720 485092588 /nfs/dbraw/zinc/09/25/88/485092588.db2.gz NXUAKSBUGBHOJP-HOTGVXAUSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@H](C)CO1 ZINC000554437721 485092977 /nfs/dbraw/zinc/09/29/77/485092977.db2.gz NXUAKSBUGBHOJP-HZPDHXFCSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)CO1 ZINC000554437722 485092756 /nfs/dbraw/zinc/09/27/56/485092756.db2.gz NXUAKSBUGBHOJP-JKSUJKDBSA-N 0 3 370.494 -0.872 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O ZINC000554437757 485092485 /nfs/dbraw/zinc/09/24/85/485092485.db2.gz PJLWBMRIZJWBPW-AWEZNQCLSA-N 0 3 367.494 -0.746 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O ZINC000554437758 485093197 /nfs/dbraw/zinc/09/31/97/485093197.db2.gz PJLWBMRIZJWBPW-CQSZACIVSA-N 0 3 367.494 -0.746 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000554438242 485092871 /nfs/dbraw/zinc/09/28/71/485092871.db2.gz AROSVDXLLCGBHW-INIZCTEOSA-N 0 3 354.495 -0.249 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000554438244 485092634 /nfs/dbraw/zinc/09/26/34/485092634.db2.gz AROSVDXLLCGBHW-MRXNPFEDSA-N 0 3 354.495 -0.249 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000554439061 485092808 /nfs/dbraw/zinc/09/28/08/485092808.db2.gz OPBFQCXFTJKDGV-KRWDZBQOSA-N 0 3 366.506 -0.249 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000554439062 485092570 /nfs/dbraw/zinc/09/25/70/485092570.db2.gz OPBFQCXFTJKDGV-QGZVFWFLSA-N 0 3 366.506 -0.249 20 0 FBADHN O=C(CNC(=O)CN1CCCS1(=O)=O)NCCN1CCCCCC1 ZINC000554452690 485093092 /nfs/dbraw/zinc/09/30/92/485093092.db2.gz FBTWBNONTZBMCQ-UHFFFAOYSA-N 0 3 360.480 -0.870 20 0 FBADHN O=C(CNC(=O)Cn1ccc(=O)[nH]c1=O)NCCN1CCCCCC1 ZINC000554452766 485092762 /nfs/dbraw/zinc/09/27/62/485092762.db2.gz HQEIRDLZHFKKAJ-UHFFFAOYSA-N 0 3 351.407 -0.943 20 0 FBADHN O=C(CNC(=O)Cc1nc2ncccn2n1)NCCN1CCCCCC1 ZINC000554452907 485092883 /nfs/dbraw/zinc/09/28/83/485092883.db2.gz MEAOTIOKBXUUPQ-UHFFFAOYSA-N 0 3 359.434 -0.225 20 0 FBADHN Cn1cnn(CCC(=O)NCC(=O)NCCN2CCCCCC2)c1=O ZINC000554459355 485092800 /nfs/dbraw/zinc/09/28/00/485092800.db2.gz LWSSBFZDMNOJCH-UHFFFAOYSA-N 0 3 352.439 -0.920 20 0 FBADHN CNc1nnc(CC(=O)NCC(=O)NCCN2CCCCCC2)s1 ZINC000554460949 484231647 /nfs/dbraw/zinc/23/16/47/484231647.db2.gz UYPGMFNVUSXLTR-UHFFFAOYSA-N 0 3 354.480 0.231 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 ZINC000554487258 485094245 /nfs/dbraw/zinc/09/42/45/485094245.db2.gz CZURUZFEXYABIC-CABCVRRESA-N 0 3 368.478 -0.365 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@H](OC(F)F)C2)CC1(C)C ZINC000554489926 485094539 /nfs/dbraw/zinc/09/45/39/485094539.db2.gz BKOZJYDPMBQSDZ-LBPRGKRZSA-N 0 3 362.421 -0.031 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@H](C)C1 ZINC000554506325 485094376 /nfs/dbraw/zinc/09/43/76/485094376.db2.gz WKQKSMMLPFBZPC-BBWFWOEESA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@H](CNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)CN1CCN(C)CC1 ZINC000554506326 485093865 /nfs/dbraw/zinc/09/38/65/485093865.db2.gz WKQKSMMLPFBZPC-IKGGRYGDSA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@@H](C)C1 ZINC000554506327 485093698 /nfs/dbraw/zinc/09/36/98/485093698.db2.gz WKQKSMMLPFBZPC-ULQDDVLXSA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@H](CNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C)CN1CCN(C)CC1 ZINC000554506328 485094317 /nfs/dbraw/zinc/09/43/17/485094317.db2.gz WKQKSMMLPFBZPC-ZACQAIPSSA-N 0 3 355.527 -0.034 20 0 FBADHN Cc1nc(N[C@H](C)C(=O)NCCF)cc(N[C@@H](C)C(=O)NCCF)n1 ZINC000554522637 484461674 /nfs/dbraw/zinc/46/16/74/484461674.db2.gz DHQFCNFPRZXJRL-AOOOYVTPSA-N 0 3 358.393 0.557 20 0 FBADHN Cc1nc(N[C@H](C)C(=O)NCCF)cc(N[C@H](C)C(=O)NCCF)n1 ZINC000554522638 484461930 /nfs/dbraw/zinc/46/19/30/484461930.db2.gz DHQFCNFPRZXJRL-NXEZZACHSA-N 0 3 358.393 0.557 20 0 FBADHN Cc1nc(N[C@@H](C)C(=O)NCCF)cc(N[C@@H](C)C(=O)NCCF)n1 ZINC000554522639 484461240 /nfs/dbraw/zinc/46/12/40/484461240.db2.gz DHQFCNFPRZXJRL-UWVGGRQHSA-N 0 3 358.393 0.557 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)nc1 ZINC000554541483 485095580 /nfs/dbraw/zinc/09/55/80/485095580.db2.gz QDPHKUISFSSJMN-UHFFFAOYSA-N 0 3 351.451 -0.342 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC1 ZINC000554587325 485097204 /nfs/dbraw/zinc/09/72/04/485097204.db2.gz JERPOWHOVNIPDF-LLVKDONJSA-N 0 3 354.432 -0.127 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC1 ZINC000554587326 659993113 /nfs/dbraw/zinc/99/31/13/659993113.db2.gz JERPOWHOVNIPDF-NSHDSACASA-N 0 3 354.432 -0.127 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)CN(C)Cc3nnc(C)n3C)[C@H]2C1 ZINC000554594241 485097845 /nfs/dbraw/zinc/09/78/45/485097845.db2.gz YJOGGDVFLZNOHN-LSDHHAIUSA-N 0 3 350.467 -0.123 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000554611609 485098466 /nfs/dbraw/zinc/09/84/66/485098466.db2.gz PEILDMGWCNKINI-HNNXBMFYSA-N 0 3 368.478 -0.460 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000554611610 485098189 /nfs/dbraw/zinc/09/81/89/485098189.db2.gz PEILDMGWCNKINI-OAHLLOKOSA-N 0 3 368.478 -0.460 20 0 FBADHN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000554621923 485098130 /nfs/dbraw/zinc/09/81/30/485098130.db2.gz KGGYLVGIPOTSFK-OAHLLOKOSA-N 0 3 374.441 -0.148 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000554631251 485098116 /nfs/dbraw/zinc/09/81/16/485098116.db2.gz FFEPQXJCLHJGKJ-CHWSQXEVSA-N 0 3 362.496 -0.594 20 0 FBADHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000554631256 485097979 /nfs/dbraw/zinc/09/79/79/485097979.db2.gz FFEPQXJCLHJGKJ-OLZOCXBDSA-N 0 3 362.496 -0.594 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000554631259 485098436 /nfs/dbraw/zinc/09/84/36/485098436.db2.gz FFEPQXJCLHJGKJ-QWHCGFSZSA-N 0 3 362.496 -0.594 20 0 FBADHN 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ZINC000554873263 485107554 /nfs/dbraw/zinc/10/75/54/485107554.db2.gz JWKXEOCRGGVWTL-AWEZNQCLSA-N 0 3 350.463 -0.266 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCC1(N2CCOCC2)CC1)C1=CCN(C)CC1 ZINC000554873268 485107398 /nfs/dbraw/zinc/10/73/98/485107398.db2.gz JWKXEOCRGGVWTL-CQSZACIVSA-N 0 3 350.463 -0.266 20 0 FBADHN Cc1onc(N)c1S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000554905030 484539507 /nfs/dbraw/zinc/53/95/07/484539507.db2.gz BPMXVBXHHIRAGX-UHFFFAOYSA-N 0 3 361.468 -0.766 20 0 FBADHN O=C(NCC1(N2CCOCC2)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000554912037 485108961 /nfs/dbraw/zinc/10/89/61/485108961.db2.gz CLXDWZFSHAEXJB-HNNXBMFYSA-N 0 3 350.463 -0.336 20 0 FBADHN O=C(NCC1(N2CCOCC2)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000554912042 485109380 /nfs/dbraw/zinc/10/93/80/485109380.db2.gz CLXDWZFSHAEXJB-OAHLLOKOSA-N 0 3 350.463 -0.336 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000554912356 485108292 /nfs/dbraw/zinc/10/82/92/485108292.db2.gz MZIDLWQUICDNDU-CHWSQXEVSA-N 0 3 354.451 -0.804 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000554912357 485109189 /nfs/dbraw/zinc/10/91/89/485109189.db2.gz MZIDLWQUICDNDU-OLZOCXBDSA-N 0 3 354.451 -0.804 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000554912358 485109138 /nfs/dbraw/zinc/10/91/38/485109138.db2.gz MZIDLWQUICDNDU-QWHCGFSZSA-N 0 3 354.451 -0.804 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000554912359 485108718 /nfs/dbraw/zinc/10/87/18/485108718.db2.gz MZIDLWQUICDNDU-STQMWFEESA-N 0 3 354.451 -0.804 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000554923772 485108814 /nfs/dbraw/zinc/10/88/14/485108814.db2.gz AHXGYGQHGFHXMZ-HNNXBMFYSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000554923773 485108888 /nfs/dbraw/zinc/10/88/88/485108888.db2.gz AHXGYGQHGFHXMZ-OAHLLOKOSA-N 0 3 352.479 -0.232 20 0 FBADHN COc1nnc(NC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)s1 ZINC000554954798 484464656 /nfs/dbraw/zinc/46/46/56/484464656.db2.gz ASFROYVFISCXPB-UHFFFAOYSA-N 0 3 368.423 0.065 20 0 FBADHN C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1)CN1CCN(C)CC1 ZINC000555046563 485110250 /nfs/dbraw/zinc/11/02/50/485110250.db2.gz QCSLPABDINNDTK-HNNXBMFYSA-N 0 3 368.503 -0.035 20 0 FBADHN C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1)CN1CCN(C)CC1 ZINC000555046564 485109948 /nfs/dbraw/zinc/10/99/48/485109948.db2.gz QCSLPABDINNDTK-OAHLLOKOSA-N 0 3 368.503 -0.035 20 0 FBADHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000555067574 485110950 /nfs/dbraw/zinc/11/09/50/485110950.db2.gz LAAFIHGEIFKCTI-UHFFFAOYSA-N 0 3 358.402 -0.221 20 0 FBADHN CN(C)CCOCCNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000555206779 485114050 /nfs/dbraw/zinc/11/40/50/485114050.db2.gz SJRQUFKQVXDIQY-UHFFFAOYSA-N 0 3 362.496 -0.226 20 0 FBADHN COC(=O)c1c(F)cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1F ZINC000555228368 485114011 /nfs/dbraw/zinc/11/40/11/485114011.db2.gz YZOGRGWIUCGNOY-SECBINFHSA-N 0 3 359.329 -0.271 20 0 FBADHN COC(=O)c1c(F)cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1F ZINC000555228369 485113634 /nfs/dbraw/zinc/11/36/34/485113634.db2.gz YZOGRGWIUCGNOY-VIFPVBQESA-N 0 3 359.329 -0.271 20 0 FBADHN CC(=O)NCCN(Cc1cn(C)c(=O)n(C)c1=O)C1CCSCC1 ZINC000555365870 485115959 /nfs/dbraw/zinc/11/59/59/485115959.db2.gz VECOUOCGCQESNT-UHFFFAOYSA-N 0 3 354.476 -0.082 20 0 FBADHN COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000555371594 485116156 /nfs/dbraw/zinc/11/61/56/485116156.db2.gz KFAQGYNNMFAGLU-LBPRGKRZSA-N 0 3 361.468 -0.818 20 0 FBADHN CC(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nccs1 ZINC000555464651 485117473 /nfs/dbraw/zinc/11/74/73/485117473.db2.gz NNNJMHLRZVVJJN-BDAKNGLRSA-N 0 3 352.459 -0.049 20 0 FBADHN CC(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nccs1 ZINC000555464652 485117371 /nfs/dbraw/zinc/11/73/71/485117371.db2.gz NNNJMHLRZVVJJN-DTWKUNHWSA-N 0 3 352.459 -0.049 20 0 FBADHN CC(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nccs1 ZINC000555464653 485116748 /nfs/dbraw/zinc/11/67/48/485116748.db2.gz NNNJMHLRZVVJJN-IUCAKERBSA-N 0 3 352.459 -0.049 20 0 FBADHN CC(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nccs1 ZINC000555464654 485117364 /nfs/dbraw/zinc/11/73/64/485117364.db2.gz NNNJMHLRZVVJJN-RKDXNWHRSA-N 0 3 352.459 -0.049 20 0 FBADHN C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)NCCN1CCCCC1 ZINC000555533292 485118095 /nfs/dbraw/zinc/11/80/95/485118095.db2.gz FIVXACWPVXBNNL-CQSZACIVSA-N 0 3 374.445 -0.397 20 0 FBADHN C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)NCCN1CCCCC1 ZINC000555543941 485118067 /nfs/dbraw/zinc/11/80/67/485118067.db2.gz ITFHFMYRAZSBAI-CYBMUJFWSA-N 0 3 352.435 -0.368 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccco1 ZINC000555561816 485119551 /nfs/dbraw/zinc/11/95/51/485119551.db2.gz HRIHHDIFHNSMMQ-AWEZNQCLSA-N 0 3 350.419 -0.045 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccco1 ZINC000555561817 485119360 /nfs/dbraw/zinc/11/93/60/485119360.db2.gz HRIHHDIFHNSMMQ-CQSZACIVSA-N 0 3 350.419 -0.045 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](CO)C2)CC1 ZINC000555566539 485119042 /nfs/dbraw/zinc/11/90/42/485119042.db2.gz JGOQOLFRCJEODH-CVEARBPZSA-N 0 3 354.495 -0.393 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](CO)C2)CC1 ZINC000555566540 485118902 /nfs/dbraw/zinc/11/89/02/485118902.db2.gz JGOQOLFRCJEODH-HOTGVXAUSA-N 0 3 354.495 -0.393 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000555566541 485119273 /nfs/dbraw/zinc/11/92/73/485119273.db2.gz JGOQOLFRCJEODH-HZPDHXFCSA-N 0 3 354.495 -0.393 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000555566542 485119520 /nfs/dbraw/zinc/11/95/20/485119520.db2.gz JGOQOLFRCJEODH-JKSUJKDBSA-N 0 3 354.495 -0.393 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(CO)CC2)CC1 ZINC000555566732 485118990 /nfs/dbraw/zinc/11/89/90/485118990.db2.gz OTBZIXPHNGRPOI-HNNXBMFYSA-N 0 3 354.495 -0.393 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(CO)CC2)CC1 ZINC000555566733 485118875 /nfs/dbraw/zinc/11/88/75/485118875.db2.gz OTBZIXPHNGRPOI-OAHLLOKOSA-N 0 3 354.495 -0.393 20 0 FBADHN CN1CCN(CC2(C)CCN(C(=O)C(=O)NCc3cc[nH]n3)CC2)CC1 ZINC000555570791 485119391 /nfs/dbraw/zinc/11/93/91/485119391.db2.gz TUBAUQYOZOFTMB-UHFFFAOYSA-N 0 3 362.478 -0.098 20 0 FBADHN O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1CCC(CO)CC1 ZINC000555571261 485120155 /nfs/dbraw/zinc/12/01/55/485120155.db2.gz ZSTIWIFJOTWNCK-UHFFFAOYSA-N 0 3 353.463 -0.022 20 0 FBADHN C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000555571815 485119820 /nfs/dbraw/zinc/11/98/20/485119820.db2.gz ZJNANQPREANZED-CABCVRRESA-N 0 3 370.494 -0.873 20 0 FBADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000555571816 485120629 /nfs/dbraw/zinc/12/06/29/485120629.db2.gz ZJNANQPREANZED-GJZGRUSLSA-N 0 3 370.494 -0.873 20 0 FBADHN C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000555571817 485120190 /nfs/dbraw/zinc/12/01/90/485120190.db2.gz ZJNANQPREANZED-HUUCEWRRSA-N 0 3 370.494 -0.873 20 0 FBADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000555571818 485120124 /nfs/dbraw/zinc/12/01/24/485120124.db2.gz ZJNANQPREANZED-LSDHHAIUSA-N 0 3 370.494 -0.873 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCSCC1 ZINC000555572748 485120436 /nfs/dbraw/zinc/12/04/36/485120436.db2.gz LIOAKEAHRRKUHC-CYBMUJFWSA-N 0 3 356.492 -0.379 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCSCC1 ZINC000555572749 485120537 /nfs/dbraw/zinc/12/05/37/485120537.db2.gz LIOAKEAHRRKUHC-ZDUSSCGKSA-N 0 3 356.492 -0.379 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC(CO)CC1 ZINC000555573634 485120363 /nfs/dbraw/zinc/12/03/63/485120363.db2.gz WKVVOUOESQPTRJ-HNNXBMFYSA-N 0 3 368.478 -0.724 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC(CO)CC1 ZINC000555573635 485120612 /nfs/dbraw/zinc/12/06/12/485120612.db2.gz WKVVOUOESQPTRJ-OAHLLOKOSA-N 0 3 368.478 -0.724 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000555587817 485121533 /nfs/dbraw/zinc/12/15/33/485121533.db2.gz ISVDZBDBQATMBQ-UHFFFAOYSA-N 0 3 354.451 -0.848 20 0 FBADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000555589274 485121299 /nfs/dbraw/zinc/12/12/99/485121299.db2.gz WRXAXYVZUBNNGY-ARFHVFGLSA-N 0 3 371.478 -0.398 20 0 FBADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000555589275 485121148 /nfs/dbraw/zinc/12/11/48/485121148.db2.gz WRXAXYVZUBNNGY-HRCADAONSA-N 0 3 371.478 -0.398 20 0 FBADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000555589276 485121074 /nfs/dbraw/zinc/12/10/74/485121074.db2.gz WRXAXYVZUBNNGY-JYJNAYRXSA-N 0 3 371.478 -0.398 20 0 FBADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000555589277 485121470 /nfs/dbraw/zinc/12/14/70/485121470.db2.gz WRXAXYVZUBNNGY-XHSDSOJGSA-N 0 3 371.478 -0.398 20 0 FBADHN CCN1CC[C@H]2OCCN(CC(=O)N3CCN(c4cnccn4)CC3)[C@H]2C1 ZINC000555592951 485121495 /nfs/dbraw/zinc/12/14/95/485121495.db2.gz LKFXICZQGXYKDU-DLBZAZTESA-N 0 3 374.489 -0.080 20 0 FBADHN CCOCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000555600977 485121700 /nfs/dbraw/zinc/12/17/00/485121700.db2.gz AQTKVCQCKFDONV-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CCOCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000555600980 485121665 /nfs/dbraw/zinc/12/16/65/485121665.db2.gz AQTKVCQCKFDONV-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CNS(=O)(=O)NCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000555601933 485121132 /nfs/dbraw/zinc/12/11/32/485121132.db2.gz DIXNZKDRQMEPNY-UHFFFAOYSA-N 0 3 354.476 -0.137 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000555606880 485121633 /nfs/dbraw/zinc/12/16/33/485121633.db2.gz NRRXSZVYJPVZQF-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCO2)CC1 ZINC000555606882 485121241 /nfs/dbraw/zinc/12/12/41/485121241.db2.gz NRRXSZVYJPVZQF-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CCOCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000555610474 485122267 /nfs/dbraw/zinc/12/22/67/485122267.db2.gz AQBIWAOCCDTKOP-UHFFFAOYSA-N 0 3 354.451 -0.704 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000555614458 485122743 /nfs/dbraw/zinc/12/27/43/485122743.db2.gz AETZKSXXJVBFQW-HNNXBMFYSA-N 0 3 352.479 -0.042 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000555614459 485122440 /nfs/dbraw/zinc/12/24/40/485122440.db2.gz AETZKSXXJVBFQW-OAHLLOKOSA-N 0 3 352.479 -0.042 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCCN2CCOCC2)CCCO1 ZINC000555616941 485122255 /nfs/dbraw/zinc/12/22/55/485122255.db2.gz HDIUIHTXFOTDPT-INIZCTEOSA-N 0 3 370.494 -0.558 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCCN2CCOCC2)CCCO1 ZINC000555616942 485122836 /nfs/dbraw/zinc/12/28/36/485122836.db2.gz HDIUIHTXFOTDPT-MRXNPFEDSA-N 0 3 370.494 -0.558 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCCCn2ccnc2)CC1 ZINC000555621232 485122785 /nfs/dbraw/zinc/12/27/85/485122785.db2.gz LAMCWVCXGVGKPS-UHFFFAOYSA-N 0 3 351.451 -0.041 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 ZINC000555633596 485123992 /nfs/dbraw/zinc/12/39/92/485123992.db2.gz QWMJTAGWSHBEEK-UHFFFAOYSA-N 0 3 368.478 -0.316 20 0 FBADHN CN(C)CCn1cc(NC(=O)c2cc(S(N)(=O)=O)cn2C)ccc1=O ZINC000555633877 485123798 /nfs/dbraw/zinc/12/37/98/485123798.db2.gz CRRVZHSCYDNFRC-UHFFFAOYSA-N 0 3 367.431 -0.352 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000555635469 485123957 /nfs/dbraw/zinc/12/39/57/485123957.db2.gz GIWRXCDNDWFXTG-JTQLQIEISA-N 0 3 352.357 -0.276 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000555635470 485123510 /nfs/dbraw/zinc/12/35/10/485123510.db2.gz GIWRXCDNDWFXTG-SNVBAGLBSA-N 0 3 352.357 -0.276 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)NCc1ccccc1 ZINC000555637155 485123263 /nfs/dbraw/zinc/12/32/63/485123263.db2.gz AWWIYWLISTXAAR-UHFFFAOYSA-N 0 3 362.474 -0.191 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000555638566 485123892 /nfs/dbraw/zinc/12/38/92/485123892.db2.gz ASXGWQFPCQCHFF-UHFFFAOYSA-N 0 3 355.483 -0.933 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000555638624 485123157 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ZINC000555724576 485126033 /nfs/dbraw/zinc/12/60/33/485126033.db2.gz ZAQWHDDHRZYPEZ-INIZCTEOSA-N 0 3 362.478 -0.374 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCn3ccnc3)C2)CC1 ZINC000555724577 485126256 /nfs/dbraw/zinc/12/62/56/485126256.db2.gz ZAQWHDDHRZYPEZ-MRXNPFEDSA-N 0 3 362.478 -0.374 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCn2ccnc2)CC1 ZINC000555725239 485127339 /nfs/dbraw/zinc/12/73/39/485127339.db2.gz RLAJOYBQVQSHLX-HNNXBMFYSA-N 0 3 350.467 -0.611 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCn2ccnc2)CC1 ZINC000555725240 485128280 /nfs/dbraw/zinc/12/82/80/485128280.db2.gz RLAJOYBQVQSHLX-OAHLLOKOSA-N 0 3 350.467 -0.611 20 0 FBADHN O=C1NCCN1CCN1CCN(CCN2CCNC2=O)[C@@H]2CCCC[C@H]21 ZINC000555727980 485128176 /nfs/dbraw/zinc/12/81/76/485128176.db2.gz CXFFGKQQHQXVBW-HZPDHXFCSA-N 0 3 364.494 -0.034 20 0 FBADHN Cc1c(S(=O)(=O)NCC(=O)NCCN2CCCCCC2)cnn1C ZINC000555729390 485127892 /nfs/dbraw/zinc/12/78/92/485127892.db2.gz GQVBCJSWZJPYTH-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000555739098 485128378 /nfs/dbraw/zinc/12/83/78/485128378.db2.gz HUILGIKGKQBGIO-UHFFFAOYSA-N 0 3 366.466 -0.295 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000555743385 485129474 /nfs/dbraw/zinc/12/94/74/485129474.db2.gz FHYYHPXRGJDBGH-UHFFFAOYSA-N 0 3 351.403 -0.232 20 0 FBADHN CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cc1 ZINC000555745226 485129449 /nfs/dbraw/zinc/12/94/49/485129449.db2.gz NCAUBHMBXYAVCM-DLBZAZTESA-N 0 3 360.458 -0.094 20 0 FBADHN CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000555745227 485128993 /nfs/dbraw/zinc/12/89/93/485128993.db2.gz NCAUBHMBXYAVCM-IAGOWNOFSA-N 0 3 360.458 -0.094 20 0 FBADHN CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000555745228 485129064 /nfs/dbraw/zinc/12/90/64/485129064.db2.gz NCAUBHMBXYAVCM-IRXDYDNUSA-N 0 3 360.458 -0.094 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1cn2ccsc2n1 ZINC000555781456 485129844 /nfs/dbraw/zinc/12/98/44/485129844.db2.gz LJKPJDJHDQOFRE-UHFFFAOYSA-N 0 3 366.491 -0.036 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)c1nnc2n1CCCCC2 ZINC000555797622 485130493 /nfs/dbraw/zinc/13/04/93/485130493.db2.gz AGZHQSUASAQGTG-CYBMUJFWSA-N 0 3 366.466 -0.124 20 0 FBADHN Cc1cc2cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)ccc2n(C)c1=O ZINC000555818720 485131075 /nfs/dbraw/zinc/13/10/75/485131075.db2.gz XMNQMGLWXSSADK-AWEZNQCLSA-N 0 3 360.414 -0.176 20 0 FBADHN Cc1cc2cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)ccc2n(C)c1=O ZINC000555818721 485131241 /nfs/dbraw/zinc/13/12/41/485131241.db2.gz XMNQMGLWXSSADK-CQSZACIVSA-N 0 3 360.414 -0.176 20 0 FBADHN Cn1cnnc1COCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000555858359 485131539 /nfs/dbraw/zinc/13/15/39/485131539.db2.gz GFSMGTYUEAXBSQ-UHFFFAOYSA-N 0 3 350.423 -0.902 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC1CCN(C2CC2)CC1)CN1CCOCC1 ZINC000555878235 485132394 /nfs/dbraw/zinc/13/23/94/485132394.db2.gz URDZNGYQKZSSQP-AWEZNQCLSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC1CCN(C2CC2)CC1)CN1CCOCC1 ZINC000555878242 485132221 /nfs/dbraw/zinc/13/22/21/485132221.db2.gz URDZNGYQKZSSQP-CQSZACIVSA-N 0 3 352.479 -0.186 20 0 FBADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000555881005 485132469 /nfs/dbraw/zinc/13/24/69/485132469.db2.gz YHVVJWVLDSJZAT-GJZGRUSLSA-N 0 3 364.446 -0.335 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000555883153 485132297 /nfs/dbraw/zinc/13/22/97/485132297.db2.gz UBSAHGRGVIUSMT-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000555883205 485132141 /nfs/dbraw/zinc/13/21/41/485132141.db2.gz JCZRJHPKMPXOFM-AWEZNQCLSA-N 0 3 372.491 -0.730 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000555883246 485132491 /nfs/dbraw/zinc/13/24/91/485132491.db2.gz JCZRJHPKMPXOFM-CQSZACIVSA-N 0 3 372.491 -0.730 20 0 FBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CCN(C4CC4)CC3)C2=O)cn1 ZINC000555883616 485132474 /nfs/dbraw/zinc/13/24/74/485132474.db2.gz NTSWBCGTELXTFQ-HNNXBMFYSA-N 0 3 374.445 -0.615 20 0 FBADHN Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC3CCN(C4CC4)CC3)C2=O)cn1 ZINC000555883619 485132058 /nfs/dbraw/zinc/13/20/58/485132058.db2.gz NTSWBCGTELXTFQ-OAHLLOKOSA-N 0 3 374.445 -0.615 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555884697 485132016 /nfs/dbraw/zinc/13/20/16/485132016.db2.gz HDFHUDZGRKOXJI-AWEZNQCLSA-N 0 3 372.491 -0.730 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555884698 485132545 /nfs/dbraw/zinc/13/25/45/485132545.db2.gz HDFHUDZGRKOXJI-CQSZACIVSA-N 0 3 372.491 -0.730 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555885981 485131995 /nfs/dbraw/zinc/13/19/95/485131995.db2.gz XJNNUBLIJRAWSS-AWEZNQCLSA-N 0 3 372.491 -0.730 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555885982 485132569 /nfs/dbraw/zinc/13/25/69/485132569.db2.gz XJNNUBLIJRAWSS-CQSZACIVSA-N 0 3 372.491 -0.730 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000555887352 485132725 /nfs/dbraw/zinc/13/27/25/485132725.db2.gz CVESGKUPEXAZNR-INIZCTEOSA-N 0 3 352.479 -0.044 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000555887353 485132647 /nfs/dbraw/zinc/13/26/47/485132647.db2.gz CVESGKUPEXAZNR-MRXNPFEDSA-N 0 3 352.479 -0.044 20 0 FBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000555887796 485132667 /nfs/dbraw/zinc/13/26/67/485132667.db2.gz JSTIUQOWONEFJM-UHFFFAOYSA-N 0 3 365.478 -0.863 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000555888667 485132123 /nfs/dbraw/zinc/13/21/23/485132123.db2.gz XJECWYLOVZXSQB-UHFFFAOYSA-N 0 3 352.479 -0.356 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1=O ZINC000555889420 485132586 /nfs/dbraw/zinc/13/25/86/485132586.db2.gz SPHMAFFDYBZAKL-UHFFFAOYSA-N 0 3 366.462 -0.563 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC2CCN(C(=O)C(C)C)CC2)n1 ZINC000555895850 485132263 /nfs/dbraw/zinc/13/22/63/485132263.db2.gz CUYLTFSZFIPVPG-UHFFFAOYSA-N 0 3 365.482 -0.579 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000555896605 485132188 /nfs/dbraw/zinc/13/21/88/485132188.db2.gz QGBAVBIEWDVJIW-HNNXBMFYSA-N 0 3 363.462 -0.205 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000555896606 485132593 /nfs/dbraw/zinc/13/25/93/485132593.db2.gz QGBAVBIEWDVJIW-OAHLLOKOSA-N 0 3 363.462 -0.205 20 0 FBADHN O=C(NC1CCN(C2CC2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000555896666 485132499 /nfs/dbraw/zinc/13/24/99/485132499.db2.gz RXJOGJOJKMPLSN-UHFFFAOYSA-N 0 3 362.352 -0.080 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000555910356 485133508 /nfs/dbraw/zinc/13/35/08/485133508.db2.gz UXALGYIQOKENQL-UHFFFAOYSA-N 0 3 368.478 -0.460 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)N1CCN(C)CC1 ZINC000555921026 485133327 /nfs/dbraw/zinc/13/33/27/485133327.db2.gz KQELHQKCKRTEHR-DOTOQJQBSA-N 0 3 367.538 -0.027 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)N1CCN(C)CC1 ZINC000555921027 485135199 /nfs/dbraw/zinc/13/51/99/485135199.db2.gz KQELHQKCKRTEHR-NVXWUHKLSA-N 0 3 367.538 -0.027 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)N1CCN(C)CC1 ZINC000555921028 485134666 /nfs/dbraw/zinc/13/46/66/485134666.db2.gz KQELHQKCKRTEHR-RDJZCZTQSA-N 0 3 367.538 -0.027 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)N1CCN(C)CC1 ZINC000555921029 485134553 /nfs/dbraw/zinc/13/45/53/485134553.db2.gz KQELHQKCKRTEHR-WBVHZDCISA-N 0 3 367.538 -0.027 20 0 FBADHN CCN(CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C1CC1 ZINC000555921396 485134789 /nfs/dbraw/zinc/13/47/89/485134789.db2.gz MBESEPWXXHMGKC-KRWDZBQOSA-N 0 3 367.538 -0.025 20 0 FBADHN CCN(CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)C1CC1 ZINC000555921403 485135102 /nfs/dbraw/zinc/13/51/02/485135102.db2.gz MBESEPWXXHMGKC-QGZVFWFLSA-N 0 3 367.538 -0.025 20 0 FBADHN Cc1onc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000555924230 484477596 /nfs/dbraw/zinc/47/75/96/484477596.db2.gz JOQIGXXJYXRPAW-UHFFFAOYSA-N 0 3 363.418 -0.003 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCC(=O)NC2CCCCC2)n1 ZINC000555924691 485135334 /nfs/dbraw/zinc/13/53/34/485135334.db2.gz AXDUGQURHXJVEV-UHFFFAOYSA-N 0 3 351.455 -0.777 20 0 FBADHN Cc1nn(C)c(C)c1C[C@@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000555925195 485134899 /nfs/dbraw/zinc/13/48/99/485134899.db2.gz JMFOEWZUGIICRV-LLVKDONJSA-N 0 3 362.482 -0.245 20 0 FBADHN Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000555925197 485134526 /nfs/dbraw/zinc/13/45/26/485134526.db2.gz JMFOEWZUGIICRV-NSHDSACASA-N 0 3 362.482 -0.245 20 0 FBADHN CC[C@@H](COC)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000555934193 485134622 /nfs/dbraw/zinc/13/46/22/485134622.db2.gz SQIAUAAVDIUUQS-KBPBESRZSA-N 0 3 356.467 -0.414 20 0 FBADHN CC[C@H](COC)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000555934194 485135347 /nfs/dbraw/zinc/13/53/47/485135347.db2.gz SQIAUAAVDIUUQS-KGLIPLIRSA-N 0 3 356.467 -0.414 20 0 FBADHN CC[C@@H](COC)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000555934195 485135071 /nfs/dbraw/zinc/13/50/71/485135071.db2.gz SQIAUAAVDIUUQS-UONOGXRCSA-N 0 3 356.467 -0.414 20 0 FBADHN CC[C@H](COC)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000555934196 485134296 /nfs/dbraw/zinc/13/42/96/485134296.db2.gz SQIAUAAVDIUUQS-ZIAGYGMSSA-N 0 3 356.467 -0.414 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000555934246 485134415 /nfs/dbraw/zinc/13/44/15/485134415.db2.gz VKGJBSSVUFOBDL-UHFFFAOYSA-N 0 3 371.459 -0.599 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCc2ccncc2)CC1 ZINC000555942826 485135029 /nfs/dbraw/zinc/13/50/29/485135029.db2.gz FMOAAHRIDZVTOB-UHFFFAOYSA-N 0 3 373.457 -0.493 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCCC(=O)OC(C)(C)C)CC1 ZINC000555965552 485135919 /nfs/dbraw/zinc/13/59/19/485135919.db2.gz PFMJZLCGAXOPAN-UHFFFAOYSA-N 0 3 370.494 -0.023 20 0 FBADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000555966943 485135865 /nfs/dbraw/zinc/13/58/65/485135865.db2.gz VJIYARFTBPNIHU-UHFFFAOYSA-N 0 3 374.507 -0.483 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1=O ZINC000555975857 485136209 /nfs/dbraw/zinc/13/62/09/485136209.db2.gz KRJLGDGAPFRDIJ-HNNXBMFYSA-N 0 3 367.494 -0.746 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1=O ZINC000555975858 485136158 /nfs/dbraw/zinc/13/61/58/485136158.db2.gz KRJLGDGAPFRDIJ-OAHLLOKOSA-N 0 3 367.494 -0.746 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCCc2nccs2)CC1 ZINC000555976038 485135802 /nfs/dbraw/zinc/13/58/02/485135802.db2.gz OQDGCIYJVGWWTJ-UHFFFAOYSA-N 0 3 353.492 -0.056 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCn3ncnc3C2)c1 ZINC000555981304 485135683 /nfs/dbraw/zinc/13/56/83/485135683.db2.gz DMVDMENWCUUCLR-UHFFFAOYSA-N 0 3 372.429 -0.123 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000555983818 485135581 /nfs/dbraw/zinc/13/55/81/485135581.db2.gz FOYMASWFCNOKKU-UHFFFAOYSA-N 0 3 363.462 -0.008 20 0 FBADHN CNC(=O)c1ccc(CNC(=O)C(=O)N(CCOC)CCN(C)C)cc1 ZINC000555984670 485136215 /nfs/dbraw/zinc/13/62/15/485136215.db2.gz NODVZEIRTLSVFB-UHFFFAOYSA-N 0 3 364.446 -0.301 20 0 FBADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000555993348 485136738 /nfs/dbraw/zinc/13/67/38/485136738.db2.gz BSQMLENBTZBHIX-CVEARBPZSA-N 0 3 370.494 -0.561 20 0 FBADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000555993349 485137184 /nfs/dbraw/zinc/13/71/84/485137184.db2.gz BSQMLENBTZBHIX-HOTGVXAUSA-N 0 3 370.494 -0.561 20 0 FBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000555993351 485137166 /nfs/dbraw/zinc/13/71/66/485137166.db2.gz BSQMLENBTZBHIX-HZPDHXFCSA-N 0 3 370.494 -0.561 20 0 FBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000555993352 485137594 /nfs/dbraw/zinc/13/75/94/485137594.db2.gz BSQMLENBTZBHIX-JKSUJKDBSA-N 0 3 370.494 -0.561 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000555994229 485137038 /nfs/dbraw/zinc/13/70/38/485137038.db2.gz NYCIKQGXPKTPGQ-GOSISDBHSA-N 0 3 368.478 -0.854 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000555994230 485136854 /nfs/dbraw/zinc/13/68/54/485136854.db2.gz NYCIKQGXPKTPGQ-SFHVURJKSA-N 0 3 368.478 -0.854 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)[C@@H](C)C1 ZINC000555997358 485136612 /nfs/dbraw/zinc/13/66/12/485136612.db2.gz WRVRAJMMYWYBBN-AWEZNQCLSA-N 0 3 367.494 -0.792 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)[C@H](C)C1 ZINC000555997362 485136979 /nfs/dbraw/zinc/13/69/79/485136979.db2.gz WRVRAJMMYWYBBN-CQSZACIVSA-N 0 3 367.494 -0.792 20 0 FBADHN COc1ncccc1CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000556003017 485137003 /nfs/dbraw/zinc/13/70/03/485137003.db2.gz SMMGPDCMEMVFCB-UHFFFAOYSA-N 0 3 351.451 -0.342 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000556008814 485137426 /nfs/dbraw/zinc/13/74/26/485137426.db2.gz XGVHQZZXCZTJPI-UHFFFAOYSA-N 0 3 360.418 -0.422 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N(CC(C)(C)O)C2CC2)CC1 ZINC000556014172 485137442 /nfs/dbraw/zinc/13/74/42/485137442.db2.gz QNKDIGVCVOLDKQ-UHFFFAOYSA-N 0 3 354.495 -0.110 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@@H](C)O1 ZINC000556015180 485137152 /nfs/dbraw/zinc/13/71/52/485137152.db2.gz LZVALPCKCVEGGM-GDBMZVCRSA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@H](C)O1 ZINC000556015181 485137074 /nfs/dbraw/zinc/13/70/74/485137074.db2.gz LZVALPCKCVEGGM-GOEBONIOSA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@H](C)O1 ZINC000556015182 485136901 /nfs/dbraw/zinc/13/69/01/485136901.db2.gz LZVALPCKCVEGGM-HOCLYGCPSA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@@H](C)O1 ZINC000556015183 485136913 /nfs/dbraw/zinc/13/69/13/485136913.db2.gz LZVALPCKCVEGGM-ZBFHGGJFSA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NC1CCN(CCN(C)C)CC1)[C@@H]1CCCO1 ZINC000556015539 485137686 /nfs/dbraw/zinc/13/76/86/485137686.db2.gz YNMXFVXRNSBCLV-CVEARBPZSA-N 0 3 370.494 -0.561 20 0 FBADHN COC[C@H](NC(=O)C(=O)NC1CCN(CCN(C)C)CC1)[C@@H]1CCCO1 ZINC000556015540 485137325 /nfs/dbraw/zinc/13/73/25/485137325.db2.gz YNMXFVXRNSBCLV-HOTGVXAUSA-N 0 3 370.494 -0.561 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NC1CCN(CCN(C)C)CC1)[C@H]1CCCO1 ZINC000556015541 485136763 /nfs/dbraw/zinc/13/67/63/485136763.db2.gz YNMXFVXRNSBCLV-HZPDHXFCSA-N 0 3 370.494 -0.561 20 0 FBADHN COC[C@H](NC(=O)C(=O)NC1CCN(CCN(C)C)CC1)[C@H]1CCCO1 ZINC000556015542 485137086 /nfs/dbraw/zinc/13/70/86/485137086.db2.gz YNMXFVXRNSBCLV-JKSUJKDBSA-N 0 3 370.494 -0.561 20 0 FBADHN COc1ccc(CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)nc1 ZINC000556017061 485137634 /nfs/dbraw/zinc/13/76/34/485137634.db2.gz LARWLHAQVPWLHJ-UHFFFAOYSA-N 0 3 363.462 -0.151 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000556064516 485138526 /nfs/dbraw/zinc/13/85/26/485138526.db2.gz FDHROMFLOWQPSC-UHFFFAOYSA-N 0 3 367.538 -0.023 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000556065494 485138281 /nfs/dbraw/zinc/13/82/81/485138281.db2.gz HLSVTEVTCMUTSF-UHFFFAOYSA-N 0 3 362.478 -0.098 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000556069191 485137953 /nfs/dbraw/zinc/13/79/53/485137953.db2.gz PNOZGAPDJXKKRZ-UHFFFAOYSA-N 0 3 367.494 -0.885 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000556070063 485138681 /nfs/dbraw/zinc/13/86/81/485138681.db2.gz HKMDHMNHKYHVJP-UHFFFAOYSA-N 0 3 367.494 -0.757 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000556078585 485138856 /nfs/dbraw/zinc/13/88/56/485138856.db2.gz WQPQTLHHYKQAGV-UHFFFAOYSA-N 0 3 355.483 -0.935 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)NCCCn1ccnc1C ZINC000556082933 485138808 /nfs/dbraw/zinc/13/88/08/485138808.db2.gz FVWCYQSWEKTGHH-HNNXBMFYSA-N 0 3 351.451 -0.075 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCCn1ccnc1C ZINC000556082937 485137906 /nfs/dbraw/zinc/13/79/06/485137906.db2.gz FVWCYQSWEKTGHH-OAHLLOKOSA-N 0 3 351.451 -0.075 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000556084062 485139418 /nfs/dbraw/zinc/13/94/18/485139418.db2.gz HCJNPYXICVJHCE-UHFFFAOYSA-N 0 3 367.494 -0.885 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000556084226 485140619 /nfs/dbraw/zinc/14/06/19/485140619.db2.gz APVZVTQUWPFTPC-KBPBESRZSA-N 0 3 374.507 -0.625 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000556084228 485140506 /nfs/dbraw/zinc/14/05/06/485140506.db2.gz APVZVTQUWPFTPC-KGLIPLIRSA-N 0 3 374.507 -0.625 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000556084230 485140094 /nfs/dbraw/zinc/14/00/94/485140094.db2.gz APVZVTQUWPFTPC-UONOGXRCSA-N 0 3 374.507 -0.625 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000556084231 485140611 /nfs/dbraw/zinc/14/06/11/485140611.db2.gz APVZVTQUWPFTPC-ZIAGYGMSSA-N 0 3 374.507 -0.625 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000556084394 485139567 /nfs/dbraw/zinc/13/95/67/485139567.db2.gz JGICPYDKBNQNGZ-AWEZNQCLSA-N 0 3 374.507 -0.672 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000556084396 485139332 /nfs/dbraw/zinc/13/93/32/485139332.db2.gz JGICPYDKBNQNGZ-CQSZACIVSA-N 0 3 374.507 -0.672 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000556084767 485139855 /nfs/dbraw/zinc/13/98/55/485139855.db2.gz YTSFBABGODJKSR-INIZCTEOSA-N 0 3 367.538 -0.023 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000556084769 485140199 /nfs/dbraw/zinc/14/01/99/485140199.db2.gz YTSFBABGODJKSR-MRXNPFEDSA-N 0 3 367.538 -0.023 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000556085363 485140460 /nfs/dbraw/zinc/14/04/60/485140460.db2.gz VQUIFWRGQIIDQK-UHFFFAOYSA-N 0 3 367.538 -0.070 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000556086775 485139290 /nfs/dbraw/zinc/13/92/90/485139290.db2.gz IRMXQPBUBUZCAD-UONOGXRCSA-N 0 3 374.507 -0.625 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000556086777 485140319 /nfs/dbraw/zinc/14/03/19/485140319.db2.gz IRMXQPBUBUZCAD-ZIAGYGMSSA-N 0 3 374.507 -0.625 20 0 FBADHN CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CCC(=O)N2CCOCC2)C[C@H]1O ZINC000556088233 485139470 /nfs/dbraw/zinc/13/94/70/485139470.db2.gz LLFXZOMOLVBCMQ-HUUCEWRRSA-N 0 3 371.478 -0.446 20 0 FBADHN CN(CC(=O)OC(C)(C)C)[C@H]1CN(CCC(=O)N2CCOCC2)C[C@H]1O ZINC000556088237 485139723 /nfs/dbraw/zinc/13/97/23/485139723.db2.gz LLFXZOMOLVBCMQ-LSDHHAIUSA-N 0 3 371.478 -0.446 20 0 FBADHN CN(CC(=O)OC(C)(C)C)[C@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC000556088305 485139605 /nfs/dbraw/zinc/13/96/05/485139605.db2.gz HNMHQQQYMVIBPP-QLFBSQMISA-N 0 3 354.451 -0.437 20 0 FBADHN CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC000556088308 485140340 /nfs/dbraw/zinc/14/03/40/485140340.db2.gz HNMHQQQYMVIBPP-RBSFLKMASA-N 0 3 354.451 -0.437 20 0 FBADHN CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O ZINC000556088309 485139796 /nfs/dbraw/zinc/13/97/96/485139796.db2.gz HNMHQQQYMVIBPP-RRFJBIMHSA-N 0 3 354.451 -0.437 20 0 FBADHN CN(CC(=O)OC(C)(C)C)[C@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O ZINC000556088310 485140179 /nfs/dbraw/zinc/14/01/79/485140179.db2.gz HNMHQQQYMVIBPP-SOUVJXGZSA-N 0 3 354.451 -0.437 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000556089449 485140602 /nfs/dbraw/zinc/14/06/02/485140602.db2.gz XINACYJKEJCALC-AWEZNQCLSA-N 0 3 354.451 -0.848 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000556089450 485139267 /nfs/dbraw/zinc/13/92/67/485139267.db2.gz XINACYJKEJCALC-CQSZACIVSA-N 0 3 354.451 -0.848 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000556098240 485140164 /nfs/dbraw/zinc/14/01/64/485140164.db2.gz LNHSYCHWURKHPJ-HNNXBMFYSA-N 0 3 367.494 -0.933 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000556098241 485139974 /nfs/dbraw/zinc/13/99/74/485139974.db2.gz LNHSYCHWURKHPJ-OAHLLOKOSA-N 0 3 367.494 -0.933 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000556100605 485141106 /nfs/dbraw/zinc/14/11/06/485141106.db2.gz LFSFYDCQHZQRRZ-UHFFFAOYSA-N 0 3 367.494 -0.933 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000556107856 485141169 /nfs/dbraw/zinc/14/11/69/485141169.db2.gz MEEAWZLYHOMREC-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000556107857 485140999 /nfs/dbraw/zinc/14/09/99/485140999.db2.gz MEEAWZLYHOMREC-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000556107858 485141292 /nfs/dbraw/zinc/14/12/92/485141292.db2.gz MEEAWZLYHOMREC-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000556107859 485141146 /nfs/dbraw/zinc/14/11/46/485141146.db2.gz MEEAWZLYHOMREC-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000556107961 485141611 /nfs/dbraw/zinc/14/16/11/485141611.db2.gz NARQOUKVJINPBB-AWEZNQCLSA-N 0 3 368.478 -0.269 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000556107962 485141992 /nfs/dbraw/zinc/14/19/92/485141992.db2.gz NARQOUKVJINPBB-CQSZACIVSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@H](C)CN1CCCCC1)C(=O)N1CCOCC1 ZINC000556108021 485141398 /nfs/dbraw/zinc/14/13/98/485141398.db2.gz KVJLISAAPSXLOY-CABCVRRESA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C(=O)N1CCOCC1 ZINC000556108022 485141465 /nfs/dbraw/zinc/14/14/65/485141465.db2.gz KVJLISAAPSXLOY-GJZGRUSLSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N[C@H](C)CN1CCCCC1)C(=O)N1CCOCC1 ZINC000556108028 485141114 /nfs/dbraw/zinc/14/11/14/485141114.db2.gz KVJLISAAPSXLOY-HUUCEWRRSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C(=O)N1CCOCC1 ZINC000556108029 485141694 /nfs/dbraw/zinc/14/16/94/485141694.db2.gz KVJLISAAPSXLOY-LSDHHAIUSA-N 0 3 368.478 -0.269 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000556110677 485141913 /nfs/dbraw/zinc/14/19/13/485141913.db2.gz OFTKSAKNUPRGKM-AWEZNQCLSA-N 0 3 367.494 -0.615 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000556110679 485141269 /nfs/dbraw/zinc/14/12/69/485141269.db2.gz OFTKSAKNUPRGKM-CQSZACIVSA-N 0 3 367.494 -0.615 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000556112173 485141931 /nfs/dbraw/zinc/14/19/31/485141931.db2.gz WHZQZKBHYHDHCZ-ARFHVFGLSA-N 0 3 371.478 -0.086 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000556112180 485141521 /nfs/dbraw/zinc/14/15/21/485141521.db2.gz WHZQZKBHYHDHCZ-BZUAXINKSA-N 0 3 371.478 -0.086 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000556112181 485141447 /nfs/dbraw/zinc/14/14/47/485141447.db2.gz WHZQZKBHYHDHCZ-HRCADAONSA-N 0 3 371.478 -0.086 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000556112182 485141621 /nfs/dbraw/zinc/14/16/21/485141621.db2.gz WHZQZKBHYHDHCZ-OWCLPIDISA-N 0 3 371.478 -0.086 20 0 FBADHN Cc1c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)nnn1-c1ccn(C)n1 ZINC000556127427 485142554 /nfs/dbraw/zinc/14/25/54/485142554.db2.gz HDOAPQDQRIREAZ-CYBMUJFWSA-N 0 3 360.466 -0.077 20 0 FBADHN Cc1c(C(=O)NC[C@H](C)CN2CCN(C)CC2)nnn1-c1ccn(C)n1 ZINC000556127428 485142258 /nfs/dbraw/zinc/14/22/58/485142258.db2.gz HDOAPQDQRIREAZ-ZDUSSCGKSA-N 0 3 360.466 -0.077 20 0 FBADHN COCCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000556139457 485142638 /nfs/dbraw/zinc/14/26/38/485142638.db2.gz BNYKJTADTZJJSF-UHFFFAOYSA-N 0 3 354.451 -0.704 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](OC(F)F)C2)CC1 ZINC000556168528 485144108 /nfs/dbraw/zinc/14/41/08/485144108.db2.gz RJWNBSAEFFSUKY-ZDUSSCGKSA-N 0 3 362.421 -0.030 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)[C@@H]1CCCO1 ZINC000556168808 485143794 /nfs/dbraw/zinc/14/37/94/485143794.db2.gz ZHIBOSHRQUCJOR-CVEARBPZSA-N 0 3 370.494 -0.560 20 0 FBADHN COC[C@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)[C@@H]1CCCO1 ZINC000556168809 485143750 /nfs/dbraw/zinc/14/37/50/485143750.db2.gz ZHIBOSHRQUCJOR-HOTGVXAUSA-N 0 3 370.494 -0.560 20 0 FBADHN 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CC(C)CN1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1=O ZINC000556201305 485146079 /nfs/dbraw/zinc/14/60/79/485146079.db2.gz DWFXNMONHYTESP-QGZVFWFLSA-N 0 3 370.519 -0.133 20 0 FBADHN COCC1(O)CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000556203734 485145951 /nfs/dbraw/zinc/14/59/51/485145951.db2.gz YBQNHSAYCFVAKK-HNNXBMFYSA-N 0 3 359.492 -0.460 20 0 FBADHN COCC1(O)CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000556203735 485145876 /nfs/dbraw/zinc/14/58/76/485145876.db2.gz YBQNHSAYCFVAKK-OAHLLOKOSA-N 0 3 359.492 -0.460 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000556206124 485145891 /nfs/dbraw/zinc/14/58/91/485145891.db2.gz LTPIFRCAXKIIEQ-DVOMOZLQSA-N 0 3 359.492 -0.150 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000556206126 485146416 /nfs/dbraw/zinc/14/64/16/485146416.db2.gz LTPIFRCAXKIIEQ-IOASZLSFSA-N 0 3 359.492 -0.150 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000556206128 485145883 /nfs/dbraw/zinc/14/58/83/485145883.db2.gz LTPIFRCAXKIIEQ-WWGRRREGSA-N 0 3 359.492 -0.150 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000556206129 485146394 /nfs/dbraw/zinc/14/63/94/485146394.db2.gz LTPIFRCAXKIIEQ-XJKCOSOUSA-N 0 3 359.492 -0.150 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(CC(F)F)CC2)CCSC1 ZINC000556206335 485146345 /nfs/dbraw/zinc/14/63/45/485146345.db2.gz SJTOTOZQBPKHSA-HNNXBMFYSA-N 0 3 364.462 -0.051 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(CC(F)F)CC2)CCSC1 ZINC000556206341 485146385 /nfs/dbraw/zinc/14/63/85/485146385.db2.gz SJTOTOZQBPKHSA-OAHLLOKOSA-N 0 3 364.462 -0.051 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CCSC1 ZINC000556208821 485147565 /nfs/dbraw/zinc/14/75/65/485147565.db2.gz YGAZJOFLFXPFIT-INIZCTEOSA-N 0 3 354.476 -0.627 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CCSC1 ZINC000556208826 485146857 /nfs/dbraw/zinc/14/68/57/485146857.db2.gz YGAZJOFLFXPFIT-MRXNPFEDSA-N 0 3 354.476 -0.627 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CCSC1 ZINC000556209303 485147662 /nfs/dbraw/zinc/14/76/62/485147662.db2.gz UEFYVFOZGBGYBB-BLLLJJGKSA-N 0 3 351.476 -0.063 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CCSC1 ZINC000556209308 485147175 /nfs/dbraw/zinc/14/71/75/485147175.db2.gz UEFYVFOZGBGYBB-LRDDRELGSA-N 0 3 351.476 -0.063 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCSC1 ZINC000556209310 485147201 /nfs/dbraw/zinc/14/72/01/485147201.db2.gz UEFYVFOZGBGYBB-MLGOLLRUSA-N 0 3 351.476 -0.063 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCSC1 ZINC000556209312 485146942 /nfs/dbraw/zinc/14/69/42/485146942.db2.gz UEFYVFOZGBGYBB-WBMJQRKESA-N 0 3 351.476 -0.063 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2nc(C)n(C)n2)CC1 ZINC000556209396 484459399 /nfs/dbraw/zinc/45/93/99/484459399.db2.gz NVQRPPGVCWQLFE-UHFFFAOYSA-N 0 3 359.390 -0.186 20 0 FBADHN CNC(=O)C1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000556209524 485147445 /nfs/dbraw/zinc/14/74/45/485147445.db2.gz XPUPGEXACIIWGH-FVKWTLKZSA-N 0 3 370.519 -0.039 20 0 FBADHN CNC(=O)C1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000556209530 485147578 /nfs/dbraw/zinc/14/75/78/485147578.db2.gz XPUPGEXACIIWGH-QWQCLYJRSA-N 0 3 370.519 -0.039 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556209671 485147633 /nfs/dbraw/zinc/14/76/33/485147633.db2.gz WKGFGRTUDNFNFU-CVEARBPZSA-N 0 3 356.492 -0.476 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556209672 485147408 /nfs/dbraw/zinc/14/74/08/485147408.db2.gz WKGFGRTUDNFNFU-HOTGVXAUSA-N 0 3 356.492 -0.476 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556209673 485147350 /nfs/dbraw/zinc/14/73/50/485147350.db2.gz WKGFGRTUDNFNFU-HZPDHXFCSA-N 0 3 356.492 -0.476 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556209674 485147074 /nfs/dbraw/zinc/14/70/74/485147074.db2.gz WKGFGRTUDNFNFU-JKSUJKDBSA-N 0 3 356.492 -0.476 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CCOCC2)CC1 ZINC000556214530 485147519 /nfs/dbraw/zinc/14/75/19/485147519.db2.gz JQJYUZHHTLIHAL-UHFFFAOYSA-N 0 3 368.478 -0.458 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238244 485146928 /nfs/dbraw/zinc/14/69/28/485146928.db2.gz RYLMCANLLLNTCC-AWEZNQCLSA-N 0 3 350.467 -0.665 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238245 485147000 /nfs/dbraw/zinc/14/70/00/485147000.db2.gz RYLMCANLLLNTCC-CQSZACIVSA-N 0 3 350.467 -0.665 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556240199 485147009 /nfs/dbraw/zinc/14/70/09/485147009.db2.gz UUUZIVMDVCXJDO-CABCVRRESA-N 0 3 363.462 -0.048 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556240205 485146771 /nfs/dbraw/zinc/14/67/71/485146771.db2.gz UUUZIVMDVCXJDO-GJZGRUSLSA-N 0 3 363.462 -0.048 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556240207 485147294 /nfs/dbraw/zinc/14/72/94/485147294.db2.gz UUUZIVMDVCXJDO-HUUCEWRRSA-N 0 3 363.462 -0.048 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556240211 485147970 /nfs/dbraw/zinc/14/79/70/485147970.db2.gz UUUZIVMDVCXJDO-LSDHHAIUSA-N 0 3 363.462 -0.048 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000556266923 485148246 /nfs/dbraw/zinc/14/82/46/485148246.db2.gz OYLVWPHNWKQREX-UHFFFAOYSA-N 0 3 363.462 -0.185 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000556267439 485148086 /nfs/dbraw/zinc/14/80/86/485148086.db2.gz BVTQXQSCUUNFOL-GOSISDBHSA-N 0 3 371.478 -0.133 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000556267474 485148266 /nfs/dbraw/zinc/14/82/66/485148266.db2.gz BVTQXQSCUUNFOL-SFHVURJKSA-N 0 3 371.478 -0.133 20 0 FBADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCCN(C)CCOC ZINC000556267811 485148926 /nfs/dbraw/zinc/14/89/26/485148926.db2.gz UMKLBLLXKYCUGV-AWEZNQCLSA-N 0 3 356.467 -0.460 20 0 FBADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCCN(C)CCOC ZINC000556267817 485148390 /nfs/dbraw/zinc/14/83/90/485148390.db2.gz UMKLBLLXKYCUGV-CQSZACIVSA-N 0 3 356.467 -0.460 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000556269109 485149758 /nfs/dbraw/zinc/14/97/58/485149758.db2.gz JYLYMUMEMNVBSO-UHFFFAOYSA-N 0 3 364.512 -0.427 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000556269513 485150117 /nfs/dbraw/zinc/15/01/17/485150117.db2.gz OLHWVZZHOBOIIB-CYBMUJFWSA-N 0 3 362.496 -0.673 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000556269516 485149681 /nfs/dbraw/zinc/14/96/81/485149681.db2.gz OLHWVZZHOBOIIB-ZDUSSCGKSA-N 0 3 362.496 -0.673 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000556270054 485149937 /nfs/dbraw/zinc/14/99/37/485149937.db2.gz TZWZJYLCKGZLPW-INIZCTEOSA-N 0 3 370.494 -0.606 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000556270060 485150033 /nfs/dbraw/zinc/15/00/33/485150033.db2.gz TZWZJYLCKGZLPW-MRXNPFEDSA-N 0 3 370.494 -0.606 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000556270301 485150227 /nfs/dbraw/zinc/15/02/27/485150227.db2.gz BNNCYRDYHYUNDA-HNNXBMFYSA-N 0 3 372.510 -0.626 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000556270302 485149582 /nfs/dbraw/zinc/14/95/82/485149582.db2.gz BNNCYRDYHYUNDA-OAHLLOKOSA-N 0 3 372.510 -0.626 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000556270579 485150319 /nfs/dbraw/zinc/15/03/19/485150319.db2.gz MYBKLAWLNGWAHV-UHFFFAOYSA-N 0 3 357.451 -0.521 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000556270981 485149959 /nfs/dbraw/zinc/14/99/59/485149959.db2.gz JEONGYPUJDBAPH-PBHICJAKSA-N 0 3 357.451 -0.523 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000556270992 485149555 /nfs/dbraw/zinc/14/95/55/485149555.db2.gz JEONGYPUJDBAPH-RHSMWYFYSA-N 0 3 357.451 -0.523 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000556270993 485149913 /nfs/dbraw/zinc/14/99/13/485149913.db2.gz JEONGYPUJDBAPH-WMLDXEAASA-N 0 3 357.451 -0.523 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000556270994 485150407 /nfs/dbraw/zinc/15/04/07/485150407.db2.gz JEONGYPUJDBAPH-YOEHRIQHSA-N 0 3 357.451 -0.523 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000556271481 485150054 /nfs/dbraw/zinc/15/00/54/485150054.db2.gz XJGWXQWRJILERQ-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000556271484 485150374 /nfs/dbraw/zinc/15/03/74/485150374.db2.gz XJGWXQWRJILERQ-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000556272687 485150167 /nfs/dbraw/zinc/15/01/67/485150167.db2.gz FHHREIZTJLNRKF-UHFFFAOYSA-N 0 3 365.478 -0.085 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000556272761 485149647 /nfs/dbraw/zinc/14/96/47/485149647.db2.gz ITBZQQQXNRLLBA-UHFFFAOYSA-N 0 3 371.478 -0.274 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000556273572 485150196 /nfs/dbraw/zinc/15/01/96/485150196.db2.gz ROIRIWYXBLXTKB-HNNXBMFYSA-N 0 3 372.510 -0.626 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000556273573 485149500 /nfs/dbraw/zinc/14/95/00/485149500.db2.gz ROIRIWYXBLXTKB-OAHLLOKOSA-N 0 3 372.510 -0.626 20 0 FBADHN C[C@H](Cn1ccnc1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000556310819 483508108 /nfs/dbraw/zinc/50/81/08/483508108.db2.gz RXSBJXHGOLJBBO-CABCVRRESA-N 0 3 351.451 -0.043 20 0 FBADHN C[C@@H](Cn1ccnc1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000556310820 483507747 /nfs/dbraw/zinc/50/77/47/483507747.db2.gz RXSBJXHGOLJBBO-GJZGRUSLSA-N 0 3 351.451 -0.043 20 0 FBADHN C[C@H](Cn1ccnc1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000556310825 483508209 /nfs/dbraw/zinc/50/82/09/483508209.db2.gz RXSBJXHGOLJBBO-HUUCEWRRSA-N 0 3 351.451 -0.043 20 0 FBADHN C[C@@H](Cn1ccnc1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000556310827 483508066 /nfs/dbraw/zinc/50/80/66/483508066.db2.gz RXSBJXHGOLJBBO-LSDHHAIUSA-N 0 3 351.451 -0.043 20 0 FBADHN C[C@@H]1CC(=O)N[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000556322801 483585728 /nfs/dbraw/zinc/58/57/28/483585728.db2.gz SELRTVZQBSCPPC-AAEUAGOBSA-N 0 3 350.423 -0.586 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cnn3c2OCCC3)cn1 ZINC000556322846 483586235 /nfs/dbraw/zinc/58/62/35/483586235.db2.gz UHIJROHNVRNFNV-UHFFFAOYSA-N 0 3 361.406 -0.208 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCCC(C)(C)CO)CN1CCN(C)CC1 ZINC000556348468 483592475 /nfs/dbraw/zinc/59/24/75/483592475.db2.gz PEJGZBXNTQADKP-HNNXBMFYSA-N 0 3 356.511 -0.099 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCCC(C)(C)CO)CN1CCN(C)CC1 ZINC000556348469 483592148 /nfs/dbraw/zinc/59/21/48/483592148.db2.gz PEJGZBXNTQADKP-OAHLLOKOSA-N 0 3 356.511 -0.099 20 0 FBADHN CCc1cc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)on1 ZINC000556349001 483592441 /nfs/dbraw/zinc/59/24/41/483592441.db2.gz WHKHYFARLWHGBD-CYBMUJFWSA-N 0 3 351.451 -0.147 20 0 FBADHN CCc1cc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)on1 ZINC000556349003 483592489 /nfs/dbraw/zinc/59/24/89/483592489.db2.gz WHKHYFARLWHGBD-ZDUSSCGKSA-N 0 3 351.451 -0.147 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCCn1ccnc1)CN1CCN(C)CC1 ZINC000556349241 483591912 /nfs/dbraw/zinc/59/19/12/483591912.db2.gz ZWVJNJRTUDHWHZ-HNNXBMFYSA-N 0 3 350.467 -0.611 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCCn1ccnc1)CN1CCN(C)CC1 ZINC000556349242 483592374 /nfs/dbraw/zinc/59/23/74/483592374.db2.gz ZWVJNJRTUDHWHZ-OAHLLOKOSA-N 0 3 350.467 -0.611 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1=O ZINC000556352848 483594491 /nfs/dbraw/zinc/59/44/91/483594491.db2.gz DJEWMWDWFOZALX-CABCVRRESA-N 0 3 367.494 -0.888 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1=O ZINC000556352849 483593984 /nfs/dbraw/zinc/59/39/84/483593984.db2.gz DJEWMWDWFOZALX-GJZGRUSLSA-N 0 3 367.494 -0.888 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1=O ZINC000556352850 483594349 /nfs/dbraw/zinc/59/43/49/483594349.db2.gz DJEWMWDWFOZALX-HUUCEWRRSA-N 0 3 367.494 -0.888 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1=O ZINC000556352851 483593826 /nfs/dbraw/zinc/59/38/26/483593826.db2.gz DJEWMWDWFOZALX-LSDHHAIUSA-N 0 3 367.494 -0.888 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000556353901 483594117 /nfs/dbraw/zinc/59/41/17/483594117.db2.gz FGKGEXJZNVYGMV-AWEZNQCLSA-N 0 3 363.466 -0.990 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000556353905 483593914 /nfs/dbraw/zinc/59/39/14/483593914.db2.gz FGKGEXJZNVYGMV-CQSZACIVSA-N 0 3 363.466 -0.990 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)CN1CCN(C)CC1 ZINC000556354177 483594233 /nfs/dbraw/zinc/59/42/33/483594233.db2.gz DZIOFUULCMFUCA-CRAIPNDOSA-N 0 3 368.478 -0.996 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1)CN1CCN(C)CC1 ZINC000556354185 483594042 /nfs/dbraw/zinc/59/40/42/483594042.db2.gz DZIOFUULCMFUCA-MAUKXSAKSA-N 0 3 368.478 -0.996 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)CN1CCN(C)CC1 ZINC000556354186 483593809 /nfs/dbraw/zinc/59/38/09/483593809.db2.gz DZIOFUULCMFUCA-QAPCUYQASA-N 0 3 368.478 -0.996 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1)CN1CCN(C)CC1 ZINC000556354188 483593965 /nfs/dbraw/zinc/59/39/65/483593965.db2.gz DZIOFUULCMFUCA-YJBOKZPZSA-N 0 3 368.478 -0.996 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)CN1CCN(C)CC1 ZINC000556354253 483594306 /nfs/dbraw/zinc/59/43/06/483594306.db2.gz FHQQRPBSLDJZTH-AWEZNQCLSA-N 0 3 369.510 -0.735 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)CN1CCN(C)CC1 ZINC000556354256 483594459 /nfs/dbraw/zinc/59/44/59/483594459.db2.gz FHQQRPBSLDJZTH-CQSZACIVSA-N 0 3 369.510 -0.735 20 0 FBADHN CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000556354951 483594364 /nfs/dbraw/zinc/59/43/64/483594364.db2.gz OHFLATJSIDYVMR-CABCVRRESA-N 0 3 370.494 -0.214 20 0 FBADHN CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000556354952 483593928 /nfs/dbraw/zinc/59/39/28/483593928.db2.gz OHFLATJSIDYVMR-GJZGRUSLSA-N 0 3 370.494 -0.214 20 0 FBADHN CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000556354953 483593605 /nfs/dbraw/zinc/59/36/05/483593605.db2.gz OHFLATJSIDYVMR-HUUCEWRRSA-N 0 3 370.494 -0.214 20 0 FBADHN CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000556354954 483593622 /nfs/dbraw/zinc/59/36/22/483593622.db2.gz OHFLATJSIDYVMR-LSDHHAIUSA-N 0 3 370.494 -0.214 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CCCn1ccnc1)CN1CCN(C)CC1 ZINC000556355072 483593492 /nfs/dbraw/zinc/59/34/92/483593492.db2.gz LBAFPAGSAKGFHV-INIZCTEOSA-N 0 3 364.494 -0.269 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)CCCn1ccnc1)CN1CCN(C)CC1 ZINC000556355073 483593368 /nfs/dbraw/zinc/59/33/68/483593368.db2.gz LBAFPAGSAKGFHV-MRXNPFEDSA-N 0 3 364.494 -0.269 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC2CC2)CC1)CN1CCN(C)CC1 ZINC000556355402 483593422 /nfs/dbraw/zinc/59/34/22/483593422.db2.gz PCVLRNLFEQGFGW-INIZCTEOSA-N 0 3 365.522 -0.460 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(CC2CC2)CC1)CN1CCN(C)CC1 ZINC000556355415 483594285 /nfs/dbraw/zinc/59/42/85/483594285.db2.gz PCVLRNLFEQGFGW-MRXNPFEDSA-N 0 3 365.522 -0.460 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CCN1C ZINC000556355619 483593518 /nfs/dbraw/zinc/59/35/18/483593518.db2.gz SQCIJALFOGFWPS-DLBZAZTESA-N 0 3 367.538 -0.215 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCN1C ZINC000556355620 483594070 /nfs/dbraw/zinc/59/40/70/483594070.db2.gz SQCIJALFOGFWPS-IAGOWNOFSA-N 0 3 367.538 -0.215 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CCN1C ZINC000556355621 483594408 /nfs/dbraw/zinc/59/44/08/483594408.db2.gz SQCIJALFOGFWPS-IRXDYDNUSA-N 0 3 367.538 -0.215 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCN1C ZINC000556355622 483594552 /nfs/dbraw/zinc/59/45/52/483594552.db2.gz SQCIJALFOGFWPS-SJORKVTESA-N 0 3 367.538 -0.215 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)Cn1cccn1)CN1CCN(C)CC1 ZINC000556355640 483593877 /nfs/dbraw/zinc/59/38/77/483593877.db2.gz QRLFQRPLLQTBBM-CVEARBPZSA-N 0 3 364.494 -0.365 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)Cn1cccn1 ZINC000556355642 483593380 /nfs/dbraw/zinc/59/33/80/483593380.db2.gz QRLFQRPLLQTBBM-HOTGVXAUSA-N 0 3 364.494 -0.365 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)Cn1cccn1 ZINC000556355643 483594152 /nfs/dbraw/zinc/59/41/52/483594152.db2.gz QRLFQRPLLQTBBM-HZPDHXFCSA-N 0 3 364.494 -0.365 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)Cn1cccn1 ZINC000556355644 483593451 /nfs/dbraw/zinc/59/34/51/483593451.db2.gz QRLFQRPLLQTBBM-JKSUJKDBSA-N 0 3 364.494 -0.365 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CC1(O)CCCC1)CN1CCN(C)CC1 ZINC000556355756 483593664 /nfs/dbraw/zinc/59/36/64/483593664.db2.gz FNSSIEQHYLEYFQ-HNNXBMFYSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)CC1(O)CCCC1)CN1CCN(C)CC1 ZINC000556355758 483594186 /nfs/dbraw/zinc/59/41/86/483594186.db2.gz FNSSIEQHYLEYFQ-OAHLLOKOSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)C1CCC(CO)CC1)CN1CCN(C)CC1 ZINC000556355941 483593705 /nfs/dbraw/zinc/59/37/05/483593705.db2.gz HNVVULUQSYEBOP-GTPINHCMSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C1CCC(CO)CC1)CN1CCN(C)CC1 ZINC000556355942 483594093 /nfs/dbraw/zinc/59/40/93/483594093.db2.gz HNVVULUQSYEBOP-KLAILNCOSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCN(C)C2=O)CC1 ZINC000556356085 483595205 /nfs/dbraw/zinc/59/52/05/483595205.db2.gz UTHYEKXRMHXYAY-CABCVRRESA-N 0 3 367.494 -0.887 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCN(C)C2=O)CC1 ZINC000556356086 483595813 /nfs/dbraw/zinc/59/58/13/483595813.db2.gz UTHYEKXRMHXYAY-GJZGRUSLSA-N 0 3 367.494 -0.887 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)CC1 ZINC000556356087 483595294 /nfs/dbraw/zinc/59/52/94/483595294.db2.gz UTHYEKXRMHXYAY-HUUCEWRRSA-N 0 3 367.494 -0.887 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)CC1 ZINC000556356088 483595480 /nfs/dbraw/zinc/59/54/80/483595480.db2.gz UTHYEKXRMHXYAY-LSDHHAIUSA-N 0 3 367.494 -0.887 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO)CN1CCN(C)CC1 ZINC000556356283 483595663 /nfs/dbraw/zinc/59/56/63/483595663.db2.gz YHKOFZZQVROUSW-BZUAXINKSA-N 0 3 354.495 -0.347 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]1CCO)CN1CCN(C)CC1 ZINC000556356289 483595375 /nfs/dbraw/zinc/59/53/75/483595375.db2.gz YHKOFZZQVROUSW-OAGGEKHMSA-N 0 3 354.495 -0.347 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]1CCO)CN1CCN(C)CC1 ZINC000556356290 483595118 /nfs/dbraw/zinc/59/51/18/483595118.db2.gz YHKOFZZQVROUSW-OWCLPIDISA-N 0 3 354.495 -0.347 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]1CCO)CN1CCN(C)CC1 ZINC000556356292 483595794 /nfs/dbraw/zinc/59/57/94/483595794.db2.gz YHKOFZZQVROUSW-PMPSAXMXSA-N 0 3 354.495 -0.347 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000556357086 483595334 /nfs/dbraw/zinc/59/53/34/483595334.db2.gz ZXQGLMTVEHMVQG-DLBZAZTESA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000556357087 483595509 /nfs/dbraw/zinc/59/55/09/483595509.db2.gz ZXQGLMTVEHMVQG-IAGOWNOFSA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000556357089 483595682 /nfs/dbraw/zinc/59/56/82/483595682.db2.gz ZXQGLMTVEHMVQG-IRXDYDNUSA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000556357091 483595391 /nfs/dbraw/zinc/59/53/91/483595391.db2.gz ZXQGLMTVEHMVQG-SJORKVTESA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC2(CO)CC2)CC1 ZINC000556369948 483598134 /nfs/dbraw/zinc/59/81/34/483598134.db2.gz LFOLRXCSKYUBCF-HNNXBMFYSA-N 0 3 354.495 -0.393 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC2(CO)CC2)CC1 ZINC000556369949 483598470 /nfs/dbraw/zinc/59/84/70/483598470.db2.gz LFOLRXCSKYUBCF-OAHLLOKOSA-N 0 3 354.495 -0.393 20 0 FBADHN CCN(CC(C)(C)O)C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000556371071 483601256 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/nfs/dbraw/zinc/64/85/01/483648501.db2.gz SCWMBXNAVHJBOD-HOTGVXAUSA-N 0 3 362.478 -0.516 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCn2cccn2)CC[C@H]1N1CCN(C)CC1 ZINC000556635158 483648210 /nfs/dbraw/zinc/64/82/10/483648210.db2.gz SCWMBXNAVHJBOD-HZPDHXFCSA-N 0 3 362.478 -0.516 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCn2cccn2)CC[C@H]1N1CCN(C)CC1 ZINC000556635159 483648490 /nfs/dbraw/zinc/64/84/90/483648490.db2.gz SCWMBXNAVHJBOD-JKSUJKDBSA-N 0 3 362.478 -0.516 20 0 FBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCn2ncnc2C1 ZINC000556637138 483650082 /nfs/dbraw/zinc/65/00/82/483650082.db2.gz BUSGDJBPNBOHMB-HNNXBMFYSA-N 0 3 356.430 -0.091 20 0 FBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCn2ncnc2C1 ZINC000556637140 483649898 /nfs/dbraw/zinc/64/98/98/483649898.db2.gz BUSGDJBPNBOHMB-OAHLLOKOSA-N 0 3 356.430 -0.091 20 0 FBADHN CCCCOCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556638159 483649534 /nfs/dbraw/zinc/64/95/34/483649534.db2.gz HOCBEONTQXRSFG-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CCCCOCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000556638160 483649927 /nfs/dbraw/zinc/64/99/27/483649927.db2.gz HOCBEONTQXRSFG-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN CCN(CCCNC(=O)C(=O)N(CCN(C)C)C(C)C)S(C)(=O)=O ZINC000556650482 483650071 /nfs/dbraw/zinc/65/00/71/483650071.db2.gz RUFVCFCOXOMKFC-UHFFFAOYSA-N 0 3 364.512 -0.427 20 0 FBADHN CCN(CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)S(C)(=O)=O ZINC000556651933 483651696 /nfs/dbraw/zinc/65/16/96/483651696.db2.gz SVFZXLRCXIMMET-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN CCN(CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)S(C)(=O)=O ZINC000556651934 483651558 /nfs/dbraw/zinc/65/15/58/483651558.db2.gz SVFZXLRCXIMMET-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000556658079 483651136 /nfs/dbraw/zinc/65/11/36/483651136.db2.gz COTDNFVRKWXNDT-GFCCVEGCSA-N 0 3 363.418 -0.036 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000556658080 483651121 /nfs/dbraw/zinc/65/11/21/483651121.db2.gz COTDNFVRKWXNDT-LBPRGKRZSA-N 0 3 363.418 -0.036 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000556661659 483651705 /nfs/dbraw/zinc/65/17/05/483651705.db2.gz FYVJLHYTOYSESC-CHWSQXEVSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000556661660 483651350 /nfs/dbraw/zinc/65/13/50/483651350.db2.gz FYVJLHYTOYSESC-OLZOCXBDSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000556661661 483651177 /nfs/dbraw/zinc/65/11/77/483651177.db2.gz FYVJLHYTOYSESC-QWHCGFSZSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000556661662 483651094 /nfs/dbraw/zinc/65/10/94/483651094.db2.gz FYVJLHYTOYSESC-STQMWFEESA-N 0 3 362.496 -0.627 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCO[C@H](COC(C)C)C2)CC1 ZINC000556663082 483650943 /nfs/dbraw/zinc/65/09/43/483650943.db2.gz NXKXESICHNGBJU-INIZCTEOSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCO[C@@H](COC(C)C)C2)CC1 ZINC000556663083 483651074 /nfs/dbraw/zinc/65/10/74/483651074.db2.gz NXKXESICHNGBJU-MRXNPFEDSA-N 0 3 371.478 -0.134 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000556690015 483653044 /nfs/dbraw/zinc/65/30/44/483653044.db2.gz MJGDXZHGWUPFLK-HNNXBMFYSA-N 0 3 362.540 0.000 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000556690016 483652395 /nfs/dbraw/zinc/65/23/95/483652395.db2.gz MJGDXZHGWUPFLK-OAHLLOKOSA-N 0 3 362.540 0.000 20 0 FBADHN COCC(=O)N1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CC1 ZINC000556692831 483653236 /nfs/dbraw/zinc/65/32/36/483653236.db2.gz AVLJVWLWRQJPBY-GJZGRUSLSA-N 0 3 356.467 -0.016 20 0 FBADHN Cn1cnn(CCC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1=O ZINC000556725760 483655314 /nfs/dbraw/zinc/65/53/14/483655314.db2.gz ILEDXBIIYBNLEW-UHFFFAOYSA-N 0 3 364.494 -0.152 20 0 FBADHN NC(=O)CN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1=O ZINC000556731427 483655648 /nfs/dbraw/zinc/65/56/48/483655648.db2.gz CRVMUVNSWPQDHX-HNNXBMFYSA-N 0 3 359.430 -0.550 20 0 FBADHN NC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1=O ZINC000556731428 483654821 /nfs/dbraw/zinc/65/48/21/483654821.db2.gz CRVMUVNSWPQDHX-OAHLLOKOSA-N 0 3 359.430 -0.550 20 0 FBADHN CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000556738949 483656477 /nfs/dbraw/zinc/65/64/77/483656477.db2.gz PAZOZJKAOWPVQD-HKUYNNGSSA-N 0 3 366.506 -0.013 20 0 FBADHN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000556738950 483656119 /nfs/dbraw/zinc/65/61/19/483656119.db2.gz PAZOZJKAOWPVQD-IEBWSBKVSA-N 0 3 366.506 -0.013 20 0 FBADHN CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000556738951 483656608 /nfs/dbraw/zinc/65/66/08/483656608.db2.gz PAZOZJKAOWPVQD-MJGOQNOKSA-N 0 3 366.506 -0.013 20 0 FBADHN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000556738952 483656079 /nfs/dbraw/zinc/65/60/79/483656079.db2.gz PAZOZJKAOWPVQD-PKOBYXMFSA-N 0 3 366.506 -0.013 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000556795329 483658573 /nfs/dbraw/zinc/65/85/73/483658573.db2.gz AUMBQNUOKLQHDT-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000556795330 483658445 /nfs/dbraw/zinc/65/84/45/483658445.db2.gz AUMBQNUOKLQHDT-OLZOCXBDSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000556795331 483658961 /nfs/dbraw/zinc/65/89/61/483658961.db2.gz AUMBQNUOKLQHDT-QWHCGFSZSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000556795332 483659145 /nfs/dbraw/zinc/65/91/45/483659145.db2.gz AUMBQNUOKLQHDT-STQMWFEESA-N 0 3 360.480 -0.921 20 0 FBADHN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000556795354 483658995 /nfs/dbraw/zinc/65/89/95/483658995.db2.gz GGZDVSRTXQDUQG-HNNXBMFYSA-N 0 3 370.494 -0.260 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H](C2CC2)O1 ZINC000556795425 483658508 /nfs/dbraw/zinc/65/85/08/483658508.db2.gz YCJMELWCDKLJML-GDBMZVCRSA-N 0 3 354.495 -0.036 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H](C2CC2)O1 ZINC000556795427 483659115 /nfs/dbraw/zinc/65/91/15/483659115.db2.gz YCJMELWCDKLJML-GOEBONIOSA-N 0 3 354.495 -0.036 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@@H](C2CC2)O1 ZINC000556795428 483658521 /nfs/dbraw/zinc/65/85/21/483658521.db2.gz YCJMELWCDKLJML-HOCLYGCPSA-N 0 3 354.495 -0.036 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@@H](C2CC2)O1 ZINC000556795429 483659262 /nfs/dbraw/zinc/65/92/62/483659262.db2.gz YCJMELWCDKLJML-ZBFHGGJFSA-N 0 3 354.495 -0.036 20 0 FBADHN Cn1ccnc1CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000556797099 483659245 /nfs/dbraw/zinc/65/92/45/483659245.db2.gz VRGYJQATNHWICJ-INIZCTEOSA-N 0 3 374.489 -0.239 20 0 FBADHN Cn1ccnc1CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000556797103 483658745 /nfs/dbraw/zinc/65/87/45/483658745.db2.gz VRGYJQATNHWICJ-MRXNPFEDSA-N 0 3 374.489 -0.239 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000556810068 483660590 /nfs/dbraw/zinc/66/05/90/483660590.db2.gz QTNZWCRGVOQPSC-KRWDZBQOSA-N 0 3 366.506 -0.033 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000556810069 483659868 /nfs/dbraw/zinc/65/98/68/483659868.db2.gz QTNZWCRGVOQPSC-QGZVFWFLSA-N 0 3 366.506 -0.033 20 0 FBADHN Cc1cnn(C)c1CNC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000556837509 483660905 /nfs/dbraw/zinc/66/09/05/483660905.db2.gz MIIZRACWWLFHEW-UHFFFAOYSA-N 0 3 357.480 -0.140 20 0 FBADHN O=C(CCn1nnc2ccccc2c1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000556850908 483661637 /nfs/dbraw/zinc/66/16/37/483661637.db2.gz OLKNNBUXUXSAHC-GOSISDBHSA-N 0 3 357.414 -0.246 20 0 FBADHN O=C(CCn1nnc2ccccc2c1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000556850919 483661682 /nfs/dbraw/zinc/66/16/82/483661682.db2.gz OLKNNBUXUXSAHC-SFHVURJKSA-N 0 3 357.414 -0.246 20 0 FBADHN C[C@@H](NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)NCCN(C)C ZINC000556903077 483663590 /nfs/dbraw/zinc/66/35/90/483663590.db2.gz BGOICNUNSGIGHR-GFCCVEGCSA-N 0 3 360.418 -0.633 20 0 FBADHN C[C@H](NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)NCCN(C)C ZINC000556903078 483663386 /nfs/dbraw/zinc/66/33/86/483663386.db2.gz BGOICNUNSGIGHR-LBPRGKRZSA-N 0 3 360.418 -0.633 20 0 FBADHN C[C@@H](NC(=O)CN1c2ccccc2O[C@H](C)C1=O)C(=O)NCCN(C)C ZINC000556903155 483663413 /nfs/dbraw/zinc/66/34/13/483663413.db2.gz FVIBUNGRRAYZPW-CHWSQXEVSA-N 0 3 362.430 -0.017 20 0 FBADHN C[C@@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)C(=O)NCCN(C)C ZINC000556903156 483663301 /nfs/dbraw/zinc/66/33/01/483663301.db2.gz FVIBUNGRRAYZPW-OLZOCXBDSA-N 0 3 362.430 -0.017 20 0 FBADHN C[C@H](NC(=O)CN1c2ccccc2O[C@H](C)C1=O)C(=O)NCCN(C)C ZINC000556903157 483663638 /nfs/dbraw/zinc/66/36/38/483663638.db2.gz FVIBUNGRRAYZPW-QWHCGFSZSA-N 0 3 362.430 -0.017 20 0 FBADHN C[C@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)C(=O)NCCN(C)C ZINC000556903158 483663106 /nfs/dbraw/zinc/66/31/06/483663106.db2.gz FVIBUNGRRAYZPW-STQMWFEESA-N 0 3 362.430 -0.017 20 0 FBADHN C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)NCCN(C)C ZINC000556903345 483663375 /nfs/dbraw/zinc/66/33/75/483663375.db2.gz LIRYUVJARNIMEM-GFCCVEGCSA-N 0 3 359.430 -0.342 20 0 FBADHN C[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)NCCN(C)C ZINC000556903346 483663296 /nfs/dbraw/zinc/66/32/96/483663296.db2.gz LIRYUVJARNIMEM-LBPRGKRZSA-N 0 3 359.430 -0.342 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000556903507 483663139 /nfs/dbraw/zinc/66/31/39/483663139.db2.gz AAYXGTQCAKBCFA-JTQLQIEISA-N 0 3 372.447 -0.861 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000556903511 483663115 /nfs/dbraw/zinc/66/31/15/483663115.db2.gz AAYXGTQCAKBCFA-SNVBAGLBSA-N 0 3 372.447 -0.861 20 0 FBADHN C[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)NCCN(C)C ZINC000556903840 483663360 /nfs/dbraw/zinc/66/33/60/483663360.db2.gz FBQBKVMERMYPII-CYBMUJFWSA-N 0 3 361.446 -0.087 20 0 FBADHN C[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)NCCN(C)C ZINC000556903841 483663280 /nfs/dbraw/zinc/66/32/80/483663280.db2.gz FBQBKVMERMYPII-ZDUSSCGKSA-N 0 3 361.446 -0.087 20 0 FBADHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000556904311 483663267 /nfs/dbraw/zinc/66/32/67/483663267.db2.gz JXNJRLRDTMSFQV-GFCCVEGCSA-N 0 3 361.450 -0.144 20 0 FBADHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000556904312 483663402 /nfs/dbraw/zinc/66/34/02/483663402.db2.gz JXNJRLRDTMSFQV-LBPRGKRZSA-N 0 3 361.450 -0.144 20 0 FBADHN Cc1cccc2c1ncn(CC(=O)N[C@H](C)C(=O)NCCN(C)C)c2=O ZINC000556904313 483663388 /nfs/dbraw/zinc/66/33/88/483663388.db2.gz JYBUPPBKSZNBCH-CYBMUJFWSA-N 0 3 359.430 -0.113 20 0 FBADHN Cc1cccc2c1ncn(CC(=O)N[C@@H](C)C(=O)NCCN(C)C)c2=O ZINC000556904314 483663328 /nfs/dbraw/zinc/66/33/28/483663328.db2.gz JYBUPPBKSZNBCH-ZDUSSCGKSA-N 0 3 359.430 -0.113 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c(C)o1 ZINC000556904870 483663094 /nfs/dbraw/zinc/66/30/94/483663094.db2.gz NANZIWFXGWUERW-SECBINFHSA-N 0 3 360.436 -0.708 20 0 FBADHN 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HZQHCRAFGIBGKY-KGLIPLIRSA-N 0 3 354.451 -0.802 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000557960286 483697556 /nfs/dbraw/zinc/69/75/56/483697556.db2.gz HZQHCRAFGIBGKY-UONOGXRCSA-N 0 3 354.451 -0.802 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000557960290 483697704 /nfs/dbraw/zinc/69/77/04/483697704.db2.gz HZQHCRAFGIBGKY-ZIAGYGMSSA-N 0 3 354.451 -0.802 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000558001075 483697838 /nfs/dbraw/zinc/69/78/38/483697838.db2.gz AWQWBPZBJFPPFQ-HNNXBMFYSA-N 0 3 367.494 -0.792 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000558001081 483698066 /nfs/dbraw/zinc/69/80/66/483698066.db2.gz AWQWBPZBJFPPFQ-OAHLLOKOSA-N 0 3 367.494 -0.792 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCO2)CC1 ZINC000558001112 483697930 /nfs/dbraw/zinc/69/79/30/483697930.db2.gz BIJLRBPTGVGYKV-HNNXBMFYSA-N 0 3 368.478 -0.317 20 0 FBADHN CCOCCN(CC)C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000558002368 483697822 /nfs/dbraw/zinc/69/78/22/483697822.db2.gz AMRFZWNKUMTQQD-UHFFFAOYSA-N 0 3 370.494 -0.070 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCO1 ZINC000558004124 483698119 /nfs/dbraw/zinc/69/81/19/483698119.db2.gz IHEBMGGXWPLYMA-HNNXBMFYSA-N 0 3 368.478 -0.317 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCO1 ZINC000558004126 483698145 /nfs/dbraw/zinc/69/81/45/483698145.db2.gz IHEBMGGXWPLYMA-OAHLLOKOSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000558004637 483697828 /nfs/dbraw/zinc/69/78/28/483697828.db2.gz VDIZQAMKIGZNTJ-OKILXGFUSA-N 0 3 368.478 -0.319 20 0 FBADHN CSC[C@@H](C)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000558007537 483698734 /nfs/dbraw/zinc/69/87/34/483698734.db2.gz WAQFZMXSAHAZQX-GFCCVEGCSA-N 0 3 358.508 -0.087 20 0 FBADHN CSC[C@H](C)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000558007540 483698888 /nfs/dbraw/zinc/69/88/88/483698888.db2.gz WAQFZMXSAHAZQX-LBPRGKRZSA-N 0 3 358.508 -0.087 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCSC2)CC1 ZINC000558008002 483698424 /nfs/dbraw/zinc/69/84/24/483698424.db2.gz XVJIWVFCUOLLOP-CYBMUJFWSA-N 0 3 356.492 -0.333 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC000558008007 483698702 /nfs/dbraw/zinc/69/87/02/483698702.db2.gz XVJIWVFCUOLLOP-ZDUSSCGKSA-N 0 3 356.492 -0.333 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCCO[C@H]2CCOC2)CCCO1 ZINC000558010499 483698784 /nfs/dbraw/zinc/69/87/84/483698784.db2.gz LJBHFNZGMGZGFD-CVEARBPZSA-N 0 3 371.478 -0.085 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCCO[C@H]2CCOC2)CCCO1 ZINC000558010500 483698498 /nfs/dbraw/zinc/69/84/98/483698498.db2.gz LJBHFNZGMGZGFD-HOTGVXAUSA-N 0 3 371.478 -0.085 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCCO[C@@H]2CCOC2)CCCO1 ZINC000558011193 483698448 /nfs/dbraw/zinc/69/84/48/483698448.db2.gz LJBHFNZGMGZGFD-HZPDHXFCSA-N 0 3 371.478 -0.085 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCCO[C@@H]2CCOC2)CCCO1 ZINC000558011195 483698442 /nfs/dbraw/zinc/69/84/42/483698442.db2.gz LJBHFNZGMGZGFD-JKSUJKDBSA-N 0 3 371.478 -0.085 20 0 FBADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H](C)CN(C)C ZINC000558025197 483699592 /nfs/dbraw/zinc/69/95/92/483699592.db2.gz IFVPWEWTAYBJMN-JTQLQIEISA-N 0 3 357.422 -0.069 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000558026070 483699361 /nfs/dbraw/zinc/69/93/61/483699361.db2.gz OLGNTAPJNGXFGX-FZMZJTMJSA-N 0 3 360.414 -0.017 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000558026074 483699601 /nfs/dbraw/zinc/69/96/01/483699601.db2.gz OLGNTAPJNGXFGX-SMDDNHRTSA-N 0 3 360.414 -0.017 20 0 FBADHN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H](C)S1(=O)=O ZINC000558029339 483699540 /nfs/dbraw/zinc/69/95/40/483699540.db2.gz MTFAJJSCSCUHBD-BFHYXJOUSA-N 0 3 359.492 -0.179 20 0 FBADHN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@H](C)S1(=O)=O ZINC000558029340 483699222 /nfs/dbraw/zinc/69/92/22/483699222.db2.gz MTFAJJSCSCUHBD-HZSPNIEDSA-N 0 3 359.492 -0.179 20 0 FBADHN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H](C)S1(=O)=O ZINC000558029341 483699244 /nfs/dbraw/zinc/69/92/44/483699244.db2.gz MTFAJJSCSCUHBD-MELADBBJSA-N 0 3 359.492 -0.179 20 0 FBADHN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@@H](C)S1(=O)=O ZINC000558029342 483699218 /nfs/dbraw/zinc/69/92/18/483699218.db2.gz MTFAJJSCSCUHBD-MGPQQGTHSA-N 0 3 359.492 -0.179 20 0 FBADHN CN1CC[C@@]2(CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)C2)C1 ZINC000558031985 483698762 /nfs/dbraw/zinc/69/87/62/483698762.db2.gz HRGQRGPBCDZECN-GOSISDBHSA-N 0 3 359.430 -0.407 20 0 FBADHN CN1CC[C@]2(CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)C2)C1 ZINC000558031987 483698840 /nfs/dbraw/zinc/69/88/40/483698840.db2.gz HRGQRGPBCDZECN-SFHVURJKSA-N 0 3 359.430 -0.407 20 0 FBADHN CC1(C)NC(=O)N(CCCC(=O)NC[C@]2(O)CN3CCC2CC3)C1=O ZINC000558034201 483699480 /nfs/dbraw/zinc/69/94/80/483699480.db2.gz AMOODCNXFXWMOW-KRWDZBQOSA-N 0 3 352.435 -0.330 20 0 FBADHN CC1(C)NC(=O)N(CCCC(=O)NC[C@@]2(O)CN3CCC2CC3)C1=O ZINC000558034203 483699570 /nfs/dbraw/zinc/69/95/70/483699570.db2.gz AMOODCNXFXWMOW-QGZVFWFLSA-N 0 3 352.435 -0.330 20 0 FBADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000558060015 483700949 /nfs/dbraw/zinc/70/09/49/483700949.db2.gz JDTROTBVNLHOAE-GXTWGEPZSA-N 0 3 350.467 -0.099 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000558060017 483700827 /nfs/dbraw/zinc/70/08/27/483700827.db2.gz JDTROTBVNLHOAE-JSGCOSHPSA-N 0 3 350.467 -0.099 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000558060019 483701108 /nfs/dbraw/zinc/70/11/08/483701108.db2.gz JDTROTBVNLHOAE-OCCSQVGLSA-N 0 3 350.467 -0.099 20 0 FBADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000558060021 483700780 /nfs/dbraw/zinc/70/07/80/483700780.db2.gz JDTROTBVNLHOAE-TZMCWYRMSA-N 0 3 350.467 -0.099 20 0 FBADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000558063369 483700993 /nfs/dbraw/zinc/70/09/93/483700993.db2.gz VNCLYZNPQHNCMR-UHFFFAOYSA-N 0 3 364.402 -0.865 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000558070705 483700999 /nfs/dbraw/zinc/70/09/99/483700999.db2.gz GALCTNBYMPLCGY-HNNXBMFYSA-N 0 3 362.430 -0.398 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000558070707 483700835 /nfs/dbraw/zinc/70/08/35/483700835.db2.gz GALCTNBYMPLCGY-OAHLLOKOSA-N 0 3 362.430 -0.398 20 0 FBADHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000558072597 483701270 /nfs/dbraw/zinc/70/12/70/483701270.db2.gz BZIDLKVVQYMSTO-BBRMVZONSA-N 0 3 373.461 -0.052 20 0 FBADHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000558072599 483701293 /nfs/dbraw/zinc/70/12/93/483701293.db2.gz BZIDLKVVQYMSTO-CJNGLKHVSA-N 0 3 373.461 -0.052 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000558072601 483701303 /nfs/dbraw/zinc/70/13/03/483701303.db2.gz BZIDLKVVQYMSTO-CZUORRHYSA-N 0 3 373.461 -0.052 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000558072602 483701313 /nfs/dbraw/zinc/70/13/13/483701313.db2.gz BZIDLKVVQYMSTO-XJKSGUPXSA-N 0 3 373.461 -0.052 20 0 FBADHN Cc1c(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cnn1C ZINC000558073707 483701309 /nfs/dbraw/zinc/70/13/09/483701309.db2.gz PGOOVPBLBZSJNO-HNNXBMFYSA-N 0 3 351.451 -0.086 20 0 FBADHN Cc1c(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cnn1C ZINC000558073708 483701329 /nfs/dbraw/zinc/70/13/29/483701329.db2.gz PGOOVPBLBZSJNO-OAHLLOKOSA-N 0 3 351.451 -0.086 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCSC2)CC1 ZINC000558077696 483702148 /nfs/dbraw/zinc/70/21/48/483702148.db2.gz WEFKQKTURHOFGD-CYBMUJFWSA-N 0 3 356.492 -0.379 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC000558077697 483702114 /nfs/dbraw/zinc/70/21/14/483702114.db2.gz WEFKQKTURHOFGD-ZDUSSCGKSA-N 0 3 356.492 -0.379 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)NCCN(C)C ZINC000558079170 483702001 /nfs/dbraw/zinc/70/20/01/483702001.db2.gz AYFGODUMNOOAJT-AEJSXWLSSA-N 0 3 352.357 -0.374 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)NCCN(C)C ZINC000558079171 483701944 /nfs/dbraw/zinc/70/19/44/483701944.db2.gz AYFGODUMNOOAJT-GUBZILKMSA-N 0 3 352.357 -0.374 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)NCCN(C)C ZINC000558079172 483702334 /nfs/dbraw/zinc/70/23/34/483702334.db2.gz AYFGODUMNOOAJT-IVZWLZJFSA-N 0 3 352.357 -0.374 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)NCCN(C)C ZINC000558079173 483702035 /nfs/dbraw/zinc/70/20/35/483702035.db2.gz AYFGODUMNOOAJT-LPEHRKFASA-N 0 3 352.357 -0.374 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)NCc2ccn(C)n2)ccn1 ZINC000558095557 483703461 /nfs/dbraw/zinc/70/34/61/483703461.db2.gz VMHDEXPCQNMMEW-UHFFFAOYSA-N 0 3 360.418 -0.312 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccn(C)n3)C2)CC1 ZINC000558095983 483703220 /nfs/dbraw/zinc/70/32/20/483703220.db2.gz BGZHPZGWRPVHOC-INIZCTEOSA-N 0 3 362.478 -0.337 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccn(C)n3)C2)CC1 ZINC000558095986 483703493 /nfs/dbraw/zinc/70/34/93/483703493.db2.gz BGZHPZGWRPVHOC-MRXNPFEDSA-N 0 3 362.478 -0.337 20 0 FBADHN CCc1cc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)on1 ZINC000558098722 483704198 /nfs/dbraw/zinc/70/41/98/483704198.db2.gz PIJRDQSHSKUUMY-UHFFFAOYSA-N 0 3 351.451 -0.005 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000558103498 483703574 /nfs/dbraw/zinc/70/35/74/483703574.db2.gz NHZJVSDFXYXKRD-UHFFFAOYSA-N 0 3 360.418 -0.422 20 0 FBADHN CC(=O)NCCCNC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000558135376 483704832 /nfs/dbraw/zinc/70/48/32/483704832.db2.gz MAJZYFWXKRNFOV-UHFFFAOYSA-N 0 3 356.467 -0.366 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCCC(=O)N2)cn1 ZINC000558141610 483704702 /nfs/dbraw/zinc/70/47/02/483704702.db2.gz OEQAFRZFYIGUHV-GFCCVEGCSA-N 0 3 350.423 -0.442 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCC(=O)N2)cn1 ZINC000558141611 483704411 /nfs/dbraw/zinc/70/44/11/483704411.db2.gz OEQAFRZFYIGUHV-LBPRGKRZSA-N 0 3 350.423 -0.442 20 0 FBADHN CC(C)(N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000558148806 483705436 /nfs/dbraw/zinc/70/54/36/483705436.db2.gz ZPLOFWAWYSOMBN-UHFFFAOYSA-N 0 3 355.464 -0.613 20 0 FBADHN CC[C@H](C)N(CCO)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000558149423 483705204 /nfs/dbraw/zinc/70/52/04/483705204.db2.gz SOANFKIGDKUHAR-INIZCTEOSA-N 0 3 370.494 -0.918 20 0 FBADHN CC[C@@H](C)N(CCO)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000558149425 483705270 /nfs/dbraw/zinc/70/52/70/483705270.db2.gz SOANFKIGDKUHAR-MRXNPFEDSA-N 0 3 370.494 -0.918 20 0 FBADHN CN(C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[C@@H]1CN2CCC1CC2 ZINC000558200950 483705624 /nfs/dbraw/zinc/70/56/24/483705624.db2.gz RTUFXDOSUONUEH-LLVKDONJSA-N 0 3 360.418 -0.153 20 0 FBADHN CN(C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[C@H]1CN2CCC1CC2 ZINC000558200951 483705660 /nfs/dbraw/zinc/70/56/60/483705660.db2.gz RTUFXDOSUONUEH-NSHDSACASA-N 0 3 360.418 -0.153 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000558207382 483705656 /nfs/dbraw/zinc/70/56/56/483705656.db2.gz DNJGQMDRSLSJFG-FRRDWIJNSA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000558207383 483706038 /nfs/dbraw/zinc/70/60/38/483706038.db2.gz DNJGQMDRSLSJFG-JHJVBQTASA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000558207384 483705815 /nfs/dbraw/zinc/70/58/15/483705815.db2.gz DNJGQMDRSLSJFG-RWMBFGLXSA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000558207385 483705801 /nfs/dbraw/zinc/70/58/01/483705801.db2.gz DNJGQMDRSLSJFG-YNEHKIRRSA-N 0 3 360.480 -0.875 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000558210422 483706630 /nfs/dbraw/zinc/70/66/30/483706630.db2.gz RGYVNBYZUUYSTA-GOSISDBHSA-N 0 3 368.478 -0.458 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000558210423 483706482 /nfs/dbraw/zinc/70/64/82/483706482.db2.gz RGYVNBYZUUYSTA-SFHVURJKSA-N 0 3 368.478 -0.458 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[C@@H](C)C1 ZINC000558210470 483706508 /nfs/dbraw/zinc/70/65/08/483706508.db2.gz SWZZRFLFCYSCNY-QLFBSQMISA-N 0 3 368.478 -0.319 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[C@H](C)C1 ZINC000558210471 483706475 /nfs/dbraw/zinc/70/64/75/483706475.db2.gz SWZZRFLFCYSCNY-RBSFLKMASA-N 0 3 368.478 -0.319 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[C@H](C)C1 ZINC000558210472 483706754 /nfs/dbraw/zinc/70/67/54/483706754.db2.gz SWZZRFLFCYSCNY-RRFJBIMHSA-N 0 3 368.478 -0.319 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[C@@H](C)C1 ZINC000558210473 483706848 /nfs/dbraw/zinc/70/68/48/483706848.db2.gz SWZZRFLFCYSCNY-SOUVJXGZSA-N 0 3 368.478 -0.319 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CCN1C ZINC000558211196 483706452 /nfs/dbraw/zinc/70/64/52/483706452.db2.gz UMXKSGBZWFQLHY-SRVKXCTJSA-N 0 3 369.384 -0.281 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CCN1C ZINC000558211201 483706410 /nfs/dbraw/zinc/70/64/10/483706410.db2.gz UMXKSGBZWFQLHY-TUAOUCFPSA-N 0 3 369.384 -0.281 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CCN1C ZINC000558211203 483706425 /nfs/dbraw/zinc/70/64/25/483706425.db2.gz UMXKSGBZWFQLHY-UTUOFQBUSA-N 0 3 369.384 -0.281 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CCN1C ZINC000558211204 483706379 /nfs/dbraw/zinc/70/63/79/483706379.db2.gz UMXKSGBZWFQLHY-WOPDTQHZSA-N 0 3 369.384 -0.281 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOC1 ZINC000558211279 483706892 /nfs/dbraw/zinc/70/68/92/483706892.db2.gz XTGXTMZOWBNERH-GOSISDBHSA-N 0 3 366.462 -0.704 20 0 FBADHN C[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOC1 ZINC000558211280 483706914 /nfs/dbraw/zinc/70/69/14/483706914.db2.gz XTGXTMZOWBNERH-SFHVURJKSA-N 0 3 366.462 -0.704 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCN1C ZINC000558211743 483706551 /nfs/dbraw/zinc/70/65/51/483706551.db2.gz XSBOPEWQBMPFKY-DZGCQCFKSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCN1C ZINC000558211744 483706318 /nfs/dbraw/zinc/70/63/18/483706318.db2.gz XSBOPEWQBMPFKY-HIFRSBDPSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCN1C ZINC000558211745 483706626 /nfs/dbraw/zinc/70/66/26/483706626.db2.gz XSBOPEWQBMPFKY-UKRRQHHQSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCN1C ZINC000558211746 483706739 /nfs/dbraw/zinc/70/67/39/483706739.db2.gz XSBOPEWQBMPFKY-ZFWWWQNUSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CCN1C ZINC000558216659 483706639 /nfs/dbraw/zinc/70/66/39/483706639.db2.gz GROKEJMGWDMILD-GDBMZVCRSA-N 0 3 362.478 -0.337 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CCN1C ZINC000558216660 483706811 /nfs/dbraw/zinc/70/68/11/483706811.db2.gz GROKEJMGWDMILD-GOEBONIOSA-N 0 3 362.478 -0.337 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CCN1C ZINC000558216661 483706863 /nfs/dbraw/zinc/70/68/63/483706863.db2.gz GROKEJMGWDMILD-HOCLYGCPSA-N 0 3 362.478 -0.337 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CCN1C ZINC000558216662 483706802 /nfs/dbraw/zinc/70/68/02/483706802.db2.gz GROKEJMGWDMILD-ZBFHGGJFSA-N 0 3 362.478 -0.337 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000558218638 483707629 /nfs/dbraw/zinc/70/76/29/483707629.db2.gz UCLHFDKYGKYUCI-INIZCTEOSA-N 0 3 355.527 -0.071 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000558218639 483707618 /nfs/dbraw/zinc/70/76/18/483707618.db2.gz UCLHFDKYGKYUCI-MRXNPFEDSA-N 0 3 355.527 -0.071 20 0 FBADHN Cc1cc(NC(=O)C(=O)NCc2ccncc2OCCN(C)C)nn1C ZINC000558233399 484267696 /nfs/dbraw/zinc/26/76/96/484267696.db2.gz SNUNYPUZYFDRAB-UHFFFAOYSA-N 0 3 360.418 0.319 20 0 FBADHN C[C@H](C[S@](C)=O)NC(=O)C(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000558263044 483710835 /nfs/dbraw/zinc/71/08/35/483710835.db2.gz LFDRRRTWJGMEFV-OZAJXLCCSA-N 0 3 360.524 -0.646 20 0 FBADHN C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000558263045 483710771 /nfs/dbraw/zinc/71/07/71/483710771.db2.gz LFDRRRTWJGMEFV-RKNYENMMSA-N 0 3 360.524 -0.646 20 0 FBADHN C[C@@H](C[S@](C)=O)NC(=O)C(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000558263046 483711033 /nfs/dbraw/zinc/71/10/33/483711033.db2.gz LFDRRRTWJGMEFV-RZFZLAGVSA-N 0 3 360.524 -0.646 20 0 FBADHN C[C@H](C[S@@](C)=O)NC(=O)C(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000558263048 483710827 /nfs/dbraw/zinc/71/08/27/483710827.db2.gz LFDRRRTWJGMEFV-YEBMWUKDSA-N 0 3 360.524 -0.646 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)NCCCN1CCC(O)CC1)n1cccn1 ZINC000558279099 483712387 /nfs/dbraw/zinc/71/23/87/483712387.db2.gz VVVWORUDCFPBBK-AWEZNQCLSA-N 0 3 351.451 -0.135 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)NCCCN1CCC(O)CC1)n1cccn1 ZINC000558279101 483712341 /nfs/dbraw/zinc/71/23/41/483712341.db2.gz VVVWORUDCFPBBK-CQSZACIVSA-N 0 3 351.451 -0.135 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000558279429 483712369 /nfs/dbraw/zinc/71/23/69/483712369.db2.gz WJRJKEYVLMULDI-GHMZBOCLSA-N 0 3 364.368 -0.134 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000558279432 483712333 /nfs/dbraw/zinc/71/23/33/483712333.db2.gz WJRJKEYVLMULDI-MNOVXSKESA-N 0 3 364.368 -0.134 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000558279433 483712404 /nfs/dbraw/zinc/71/24/04/483712404.db2.gz WJRJKEYVLMULDI-QWRGUYRKSA-N 0 3 364.368 -0.134 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000558279434 483712415 /nfs/dbraw/zinc/71/24/15/483712415.db2.gz WJRJKEYVLMULDI-WDEREUQCSA-N 0 3 364.368 -0.134 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000558281548 483712049 /nfs/dbraw/zinc/71/20/49/483712049.db2.gz SVTYKMIYAZQLPU-LLVKDONJSA-N 0 3 364.368 -0.180 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000558281549 483711769 /nfs/dbraw/zinc/71/17/69/483711769.db2.gz SVTYKMIYAZQLPU-NSHDSACASA-N 0 3 364.368 -0.180 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)CCCO1 ZINC000558281828 483713104 /nfs/dbraw/zinc/71/31/04/483713104.db2.gz VGXXFTWOOVAUSN-KBPBESRZSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)CCCO1 ZINC000558281829 483713108 /nfs/dbraw/zinc/71/31/08/483713108.db2.gz VGXXFTWOOVAUSN-KGLIPLIRSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CCCO1 ZINC000558281830 483712965 /nfs/dbraw/zinc/71/29/65/483712965.db2.gz VGXXFTWOOVAUSN-UONOGXRCSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CCCO1 ZINC000558281831 483713091 /nfs/dbraw/zinc/71/30/91/483713091.db2.gz VGXXFTWOOVAUSN-ZIAGYGMSSA-N 0 3 354.451 -0.660 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCCCCC1 ZINC000558320317 483713541 /nfs/dbraw/zinc/71/35/41/483713541.db2.gz JOBGSQDCWPHXJG-UHFFFAOYSA-N 0 3 354.495 -0.105 20 0 FBADHN C[C@H]1CCCCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000558321933 483713526 /nfs/dbraw/zinc/71/35/26/483713526.db2.gz NUNSOCPLUFGWIU-INIZCTEOSA-N 0 3 354.495 -0.106 20 0 FBADHN C[C@@H]1CCCCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000558321934 483713485 /nfs/dbraw/zinc/71/34/85/483713485.db2.gz NUNSOCPLUFGWIU-MRXNPFEDSA-N 0 3 354.495 -0.106 20 0 FBADHN NC(=O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000558322770 483713587 /nfs/dbraw/zinc/71/35/87/483713587.db2.gz AZTZTTOSJCLOEA-HNNXBMFYSA-N 0 3 359.430 -0.380 20 0 FBADHN NC(=O)CCNC(=O)c1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000558322775 483713472 /nfs/dbraw/zinc/71/34/72/483713472.db2.gz AZTZTTOSJCLOEA-OAHLLOKOSA-N 0 3 359.430 -0.380 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000558329326 483714221 /nfs/dbraw/zinc/71/42/21/483714221.db2.gz DCNUWZUNJUNMHT-UHFFFAOYSA-N 0 3 370.494 -0.212 20 0 FBADHN CC1(C)CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CCO1 ZINC000558332848 483714560 /nfs/dbraw/zinc/71/45/60/483714560.db2.gz QGQUHPVBUHJOEE-UHFFFAOYSA-N 0 3 370.494 -0.870 20 0 FBADHN C[C@@H]1C[C@H](C)CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000558334101 483714776 /nfs/dbraw/zinc/71/47/76/483714776.db2.gz WXOPQHGEVXSBPS-CALCHBBNSA-N 0 3 368.522 -0.003 20 0 FBADHN C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000558334104 483714499 /nfs/dbraw/zinc/71/44/99/483714499.db2.gz WXOPQHGEVXSBPS-IAGOWNOFSA-N 0 3 368.522 -0.003 20 0 FBADHN C[C@H]1C[C@H](C)CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000558334107 483714874 /nfs/dbraw/zinc/71/48/74/483714874.db2.gz WXOPQHGEVXSBPS-IRXDYDNUSA-N 0 3 368.522 -0.003 20 0 FBADHN Cn1ncc(C(=O)NCC(=O)NCCN2CCCCCC2)c1-n1cnnc1 ZINC000558348491 483714688 /nfs/dbraw/zinc/71/46/88/483714688.db2.gz BGTRHCCAUCKXOB-UHFFFAOYSA-N 0 3 374.449 -0.277 20 0 FBADHN O=C(CCCN1C(=O)CNC1=O)NCC(=O)NCCN1CCCCCC1 ZINC000558349034 483714891 /nfs/dbraw/zinc/71/48/91/483714891.db2.gz FAIMTRXLQBUVPO-UHFFFAOYSA-N 0 3 367.450 -0.573 20 0 FBADHN CC1(C)C(=O)NC(=O)N1CC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558349040 483714786 /nfs/dbraw/zinc/71/47/86/483714786.db2.gz FEWRPIICTDCZMV-UHFFFAOYSA-N 0 3 367.450 -0.575 20 0 FBADHN CCN1CCN(CC(=O)NCC(=O)NCCN2CCCCCC2)CC1 ZINC000558350587 483715715 /nfs/dbraw/zinc/71/57/15/483715715.db2.gz MNKWSHAYYNMTOU-UHFFFAOYSA-N 0 3 353.511 -0.268 20 0 FBADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000558351570 483715395 /nfs/dbraw/zinc/71/53/95/483715395.db2.gz PBBZOJWGCQKGIL-UHFFFAOYSA-N 0 3 352.395 -0.808 20 0 FBADHN CSCC[C@@H](NC(N)=O)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558357141 483715639 /nfs/dbraw/zinc/71/56/39/483715639.db2.gz BVCIPWJAKGYGKC-CYBMUJFWSA-N 0 3 373.523 -0.115 20 0 FBADHN CSCC[C@H](NC(N)=O)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558357142 483715683 /nfs/dbraw/zinc/71/56/83/483715683.db2.gz BVCIPWJAKGYGKC-ZDUSSCGKSA-N 0 3 373.523 -0.115 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000558357706 483715705 /nfs/dbraw/zinc/71/57/05/483715705.db2.gz AGBHSAULFJFYLV-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000558357707 483715402 /nfs/dbraw/zinc/71/54/02/483715402.db2.gz AGBHSAULFJFYLV-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000558357708 483715430 /nfs/dbraw/zinc/71/54/30/483715430.db2.gz AGBHSAULFJFYLV-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000558357709 483715161 /nfs/dbraw/zinc/71/51/61/483715161.db2.gz AGBHSAULFJFYLV-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558359400 483715501 /nfs/dbraw/zinc/71/55/01/483715501.db2.gz IFQQTZVKMHSOIG-BBRMVZONSA-N 0 3 368.478 -0.630 20 0 FBADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558359405 483715196 /nfs/dbraw/zinc/71/51/96/483715196.db2.gz IFQQTZVKMHSOIG-CJNGLKHVSA-N 0 3 368.478 -0.630 20 0 FBADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558359407 483715674 /nfs/dbraw/zinc/71/56/74/483715674.db2.gz IFQQTZVKMHSOIG-CZUORRHYSA-N 0 3 368.478 -0.630 20 0 FBADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558359411 483715442 /nfs/dbraw/zinc/71/54/42/483715442.db2.gz IFQQTZVKMHSOIG-XJKSGUPXSA-N 0 3 368.478 -0.630 20 0 FBADHN CC(C)(NS(C)(=O)=O)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000558362633 483715622 /nfs/dbraw/zinc/71/56/22/483715622.db2.gz XSNJUHWYFPRBRO-UHFFFAOYSA-N 0 3 362.496 -0.577 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1(C)C ZINC000558374505 483716502 /nfs/dbraw/zinc/71/65/02/483716502.db2.gz NCRDPBJJSFIVER-AWEZNQCLSA-N 0 3 362.478 -0.475 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1(C)C ZINC000558374506 483716215 /nfs/dbraw/zinc/71/62/15/483716215.db2.gz NCRDPBJJSFIVER-CQSZACIVSA-N 0 3 362.478 -0.475 20 0 FBADHN CCN1CCOC[C@H]1C(=O)NCCC(=O)NCCCc1cn[nH]c1C ZINC000558389337 483716104 /nfs/dbraw/zinc/71/61/04/483716104.db2.gz LMPBNDVTBPGTCI-HNNXBMFYSA-N 0 3 351.451 -0.006 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)NCCC(=O)NCCCc1cn[nH]c1C ZINC000558389338 483716433 /nfs/dbraw/zinc/71/64/33/483716433.db2.gz LMPBNDVTBPGTCI-OAHLLOKOSA-N 0 3 351.451 -0.006 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000558402949 483718259 /nfs/dbraw/zinc/71/82/59/483718259.db2.gz MAMALRBEDSBMFW-AWEZNQCLSA-N 0 3 350.467 -0.145 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000558402950 483718243 /nfs/dbraw/zinc/71/82/43/483718243.db2.gz MAMALRBEDSBMFW-CQSZACIVSA-N 0 3 350.467 -0.145 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1=O ZINC000558414808 483718508 /nfs/dbraw/zinc/71/85/08/483718508.db2.gz XIJGMQLSJJXGRY-AWEZNQCLSA-N 0 3 366.462 -0.540 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1=O ZINC000558414809 483718776 /nfs/dbraw/zinc/71/87/76/483718776.db2.gz XIJGMQLSJJXGRY-CQSZACIVSA-N 0 3 366.462 -0.540 20 0 FBADHN C[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)NCCN(C)C ZINC000558414823 483718489 /nfs/dbraw/zinc/71/84/89/483718489.db2.gz 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ZINC000558489102 483722086 /nfs/dbraw/zinc/72/20/86/483722086.db2.gz VGJAXKPDGIVKMR-OAGGEKHMSA-N 0 3 373.519 -0.135 20 0 FBADHN CN1CCCC[C@@H]1CCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000558489105 483722077 /nfs/dbraw/zinc/72/20/77/483722077.db2.gz VGJAXKPDGIVKMR-OWCLPIDISA-N 0 3 373.519 -0.135 20 0 FBADHN CN1CCCC[C@@H]1CCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000558489106 483721758 /nfs/dbraw/zinc/72/17/58/483721758.db2.gz VGJAXKPDGIVKMR-PMPSAXMXSA-N 0 3 373.519 -0.135 20 0 FBADHN CN(C)CCn1ccc(NC(=O)CNS(=O)(=O)c2cccc(F)c2)n1 ZINC000558509397 484103841 /nfs/dbraw/zinc/10/38/41/484103841.db2.gz GNZPBQXHZVRFLT-UHFFFAOYSA-N 0 3 369.422 0.501 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccnc1 ZINC000558515945 483722900 /nfs/dbraw/zinc/72/29/00/483722900.db2.gz FZJQDXCTEHYZGZ-CYBMUJFWSA-N 0 3 356.448 -0.413 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1cccnc1 ZINC000558515946 483722803 /nfs/dbraw/zinc/72/28/03/483722803.db2.gz FZJQDXCTEHYZGZ-ZDUSSCGKSA-N 0 3 356.448 -0.413 20 0 FBADHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000558544682 483723761 /nfs/dbraw/zinc/72/37/61/483723761.db2.gz NPDGNBBQLWRYSP-GFCCVEGCSA-N 0 3 352.439 -0.245 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000558565149 483725240 /nfs/dbraw/zinc/72/52/40/483725240.db2.gz KWJLQDUGRSYLTH-HNNXBMFYSA-N 0 3 373.523 -0.381 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000558565150 483725414 /nfs/dbraw/zinc/72/54/14/483725414.db2.gz KWJLQDUGRSYLTH-OAHLLOKOSA-N 0 3 373.523 -0.381 20 0 FBADHN CN1CCN(CCNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1(C)C ZINC000558568344 483725718 /nfs/dbraw/zinc/72/57/18/483725718.db2.gz LYYGFGZAYLPYPT-CYBMUJFWSA-N 0 3 361.512 -0.525 20 0 FBADHN CN1CCN(CCNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1(C)C ZINC000558568359 483725915 /nfs/dbraw/zinc/72/59/15/483725915.db2.gz LYYGFGZAYLPYPT-ZDUSSCGKSA-N 0 3 361.512 -0.525 20 0 FBADHN C[C@@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)C1=CCN(C)CC1 ZINC000558571274 483725341 /nfs/dbraw/zinc/72/53/41/483725341.db2.gz TZZANEITASFDBX-CYBMUJFWSA-N 0 3 359.496 -0.748 20 0 FBADHN C[C@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)C1=CCN(C)CC1 ZINC000558571277 483725544 /nfs/dbraw/zinc/72/55/44/483725544.db2.gz TZZANEITASFDBX-ZDUSSCGKSA-N 0 3 359.496 -0.748 20 0 FBADHN CSC1(CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CCN(C)CC1 ZINC000558605756 483726298 /nfs/dbraw/zinc/72/62/98/483726298.db2.gz UPVZUPBAMIHKPA-GFCCVEGCSA-N 0 3 365.521 -0.073 20 0 FBADHN CSC1(CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)CCN(C)CC1 ZINC000558605759 483726581 /nfs/dbraw/zinc/72/65/81/483726581.db2.gz UPVZUPBAMIHKPA-LBPRGKRZSA-N 0 3 365.521 -0.073 20 0 FBADHN CSC1(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CCN(C)CC1 ZINC000558617976 483726305 /nfs/dbraw/zinc/72/63/05/483726305.db2.gz SNWQSYOXZRDEOA-LLVKDONJSA-N 0 3 350.510 -0.114 20 0 FBADHN CSC1(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)CCN(C)CC1 ZINC000558617979 483726288 /nfs/dbraw/zinc/72/62/88/483726288.db2.gz SNWQSYOXZRDEOA-NSHDSACASA-N 0 3 350.510 -0.114 20 0 FBADHN COc1nccc(NC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)n1 ZINC000558778391 484462481 /nfs/dbraw/zinc/46/24/81/484462481.db2.gz DXBNAYCFQCCEPK-UHFFFAOYSA-N 0 3 362.394 0.004 20 0 FBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000558918817 483744184 /nfs/dbraw/zinc/74/41/84/483744184.db2.gz PFURYSOZPRYDHV-HNNXBMFYSA-N 0 3 356.492 -0.597 20 0 FBADHN O=C([C@H]1CN2CCN1CCC2)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000558918818 483744882 /nfs/dbraw/zinc/74/48/82/483744882.db2.gz PFURYSOZPRYDHV-OAHLLOKOSA-N 0 3 356.492 -0.597 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2ncn(-c3ccccc3)n2)n1 ZINC000558977069 483749976 /nfs/dbraw/zinc/74/99/76/483749976.db2.gz DLSPLGRDIDDLMP-UHFFFAOYSA-N 0 3 369.433 -0.445 20 0 FBADHN CN(C)c1nc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc(=O)[nH]1 ZINC000559013670 483751080 /nfs/dbraw/zinc/75/10/80/483751080.db2.gz VUGIAKGSYYKRKD-UHFFFAOYSA-N 0 3 362.434 -0.372 20 0 FBADHN CN(C)c1nc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc(=O)[n-]1 ZINC000559013670 483751078 /nfs/dbraw/zinc/75/10/78/483751078.db2.gz 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ZINC000559760937 483853635 /nfs/dbraw/zinc/85/36/35/483853635.db2.gz SHFISPLXBLKSSV-CQSZACIVSA-N 0 3 350.463 -0.038 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000559761011 483853367 /nfs/dbraw/zinc/85/33/67/483853367.db2.gz YMWICCDMUDIEMT-UHFFFAOYSA-N 0 3 374.507 -0.672 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000559763562 483853866 /nfs/dbraw/zinc/85/38/66/483853866.db2.gz QDTZISTYIYFSJU-KBPBESRZSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000559763563 483853904 /nfs/dbraw/zinc/85/39/04/483853904.db2.gz QDTZISTYIYFSJU-KGLIPLIRSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000559763566 483853875 /nfs/dbraw/zinc/85/38/75/483853875.db2.gz QDTZISTYIYFSJU-UONOGXRCSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000559763568 483853978 /nfs/dbraw/zinc/85/39/78/483853978.db2.gz QDTZISTYIYFSJU-ZIAGYGMSSA-N 0 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/nfs/dbraw/zinc/85/44/52/483854452.db2.gz SMEOHVJFOYBMKA-HZPDHXFCSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000559782039 483854405 /nfs/dbraw/zinc/85/44/05/483854405.db2.gz SMEOHVJFOYBMKA-JKSUJKDBSA-N 0 3 370.494 -0.872 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000559782303 483854576 /nfs/dbraw/zinc/85/45/76/483854576.db2.gz WOAVXPLETMUULU-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000559782304 483854437 /nfs/dbraw/zinc/85/44/37/483854437.db2.gz WOAVXPLETMUULU-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000559782305 483854587 /nfs/dbraw/zinc/85/45/87/483854587.db2.gz WOAVXPLETMUULU-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000559782306 483854366 /nfs/dbraw/zinc/85/43/66/483854366.db2.gz WOAVXPLETMUULU-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000559796258 484350111 /nfs/dbraw/zinc/35/01/11/484350111.db2.gz MSXWCZDVALRVJC-AWEZNQCLSA-N 0 3 365.482 -0.063 20 0 FBADHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000559796259 484350283 /nfs/dbraw/zinc/35/02/83/484350283.db2.gz MSXWCZDVALRVJC-CQSZACIVSA-N 0 3 365.482 -0.063 20 0 FBADHN CNC(=O)c1cccc(CNC(=O)C(=O)NCCOCCN(C)C)c1 ZINC000559804197 483855480 /nfs/dbraw/zinc/85/54/80/483855480.db2.gz WOICKUUDBIYCAH-UHFFFAOYSA-N 0 3 350.419 -0.643 20 0 FBADHN COCCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000559807545 483855522 /nfs/dbraw/zinc/85/55/22/483855522.db2.gz GIPYMQWAXIIDEZ-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN COCCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000559807546 483855388 /nfs/dbraw/zinc/85/53/88/483855388.db2.gz GIPYMQWAXIIDEZ-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN Cc1onc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1C ZINC000559825875 484478080 /nfs/dbraw/zinc/47/80/80/484478080.db2.gz 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ZINC000559834584 483855873 /nfs/dbraw/zinc/85/58/73/483855873.db2.gz HBCQLSUJNKJCNW-UHFFFAOYSA-N 0 3 353.511 -0.316 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000559836132 483855889 /nfs/dbraw/zinc/85/58/89/483855889.db2.gz KXSKRFGVTLVNNF-GDBMZVCRSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000559836133 483855698 /nfs/dbraw/zinc/85/56/98/483855698.db2.gz KXSKRFGVTLVNNF-GOEBONIOSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000559836134 483856161 /nfs/dbraw/zinc/85/61/61/483856161.db2.gz KXSKRFGVTLVNNF-HOCLYGCPSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000559836135 483856085 /nfs/dbraw/zinc/85/60/85/483856085.db2.gz KXSKRFGVTLVNNF-ZBFHGGJFSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N(CC(C)(C)O)C2CC2)CC1 ZINC000559839061 483856398 /nfs/dbraw/zinc/85/63/98/483856398.db2.gz XAUVVBNASXURFS-UHFFFAOYSA-N 0 3 354.495 -0.108 20 0 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/nfs/dbraw/zinc/87/69/94/483876994.db2.gz ZVLSKOVCGVWAAZ-SFHVURJKSA-N 0 3 364.446 -0.186 20 0 FBADHN COc1ccccc1C(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000560562895 483879364 /nfs/dbraw/zinc/87/93/64/483879364.db2.gz AJSAYQIPRGFUQV-GFCCVEGCSA-N 0 3 350.419 -0.393 20 0 FBADHN COc1ccccc1C(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000560562899 483879168 /nfs/dbraw/zinc/87/91/68/483879168.db2.gz AJSAYQIPRGFUQV-LBPRGKRZSA-N 0 3 350.419 -0.393 20 0 FBADHN C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCCN(C)C ZINC000560563280 483879289 /nfs/dbraw/zinc/87/92/89/483879289.db2.gz NUOIVXDYXRIVLF-CYBMUJFWSA-N 0 3 362.430 -0.015 20 0 FBADHN C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCCN(C)C ZINC000560563283 483879452 /nfs/dbraw/zinc/87/94/52/483879452.db2.gz NUOIVXDYXRIVLF-ZDUSSCGKSA-N 0 3 362.430 -0.015 20 0 FBADHN C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)NCCN(C)C ZINC000560563556 483879135 /nfs/dbraw/zinc/87/91/35/483879135.db2.gz DQBSLYNEXNCSAO-LLVKDONJSA-N 0 3 361.402 -0.715 20 0 FBADHN C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)NCCN(C)C ZINC000560563559 483879142 /nfs/dbraw/zinc/87/91/42/483879142.db2.gz DQBSLYNEXNCSAO-NSHDSACASA-N 0 3 361.402 -0.715 20 0 FBADHN CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000560563748 483879173 /nfs/dbraw/zinc/87/91/73/483879173.db2.gz HGFODFHXXIFGEM-CYBMUJFWSA-N 0 3 364.446 -0.002 20 0 FBADHN CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000560563749 483879117 /nfs/dbraw/zinc/87/91/17/483879117.db2.gz HGFODFHXXIFGEM-ZDUSSCGKSA-N 0 3 364.446 -0.002 20 0 FBADHN C[C@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)NCCN(C)C ZINC000560564171 483879285 /nfs/dbraw/zinc/87/92/85/483879285.db2.gz TXADPZDUEINJMM-JTQLQIEISA-N 0 3 356.373 -0.123 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)NCCN(C)C ZINC000560564179 483879354 /nfs/dbraw/zinc/87/93/54/483879354.db2.gz TXADPZDUEINJMM-SNVBAGLBSA-N 0 3 356.373 -0.123 20 0 FBADHN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)NCCN(C)C ZINC000560566946 483879127 /nfs/dbraw/zinc/87/91/27/483879127.db2.gz XAHPRYYVYSMXDI-CYBMUJFWSA-N 0 3 370.475 -0.510 20 0 FBADHN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)NCCN(C)C ZINC000560566951 483879131 /nfs/dbraw/zinc/87/91/31/483879131.db2.gz XAHPRYYVYSMXDI-ZDUSSCGKSA-N 0 3 370.475 -0.510 20 0 FBADHN C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)NCCN(C)C ZINC000560567044 483879269 /nfs/dbraw/zinc/87/92/69/483879269.db2.gz YEGMSWLBWZVHFI-JTQLQIEISA-N 0 3 356.373 -0.123 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)NCCN(C)C ZINC000560567047 483879146 /nfs/dbraw/zinc/87/91/46/483879146.db2.gz YEGMSWLBWZVHFI-SNVBAGLBSA-N 0 3 356.373 -0.123 20 0 FBADHN CC(C)[C@H](C(=O)N[C@H](C)C(=O)NCCN(C)C)N1CCCS1(=O)=O ZINC000560567172 483879411 /nfs/dbraw/zinc/87/94/11/483879411.db2.gz ZLYCRMDZIVKTOT-CHWSQXEVSA-N 0 3 362.496 -0.771 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCCN(C)C)N1CCCS1(=O)=O ZINC000560567173 483879429 /nfs/dbraw/zinc/87/94/29/483879429.db2.gz ZLYCRMDZIVKTOT-OLZOCXBDSA-N 0 3 362.496 -0.771 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)N1CCCS1(=O)=O ZINC000560567174 483879179 /nfs/dbraw/zinc/87/91/79/483879179.db2.gz ZLYCRMDZIVKTOT-QWHCGFSZSA-N 0 3 362.496 -0.771 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)N1CCCS1(=O)=O ZINC000560567175 483879277 /nfs/dbraw/zinc/87/92/77/483879277.db2.gz ZLYCRMDZIVKTOT-STQMWFEESA-N 0 3 362.496 -0.771 20 0 FBADHN C[C@@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)NCCN(C)C ZINC000560567277 483879436 /nfs/dbraw/zinc/87/94/36/483879436.db2.gz XBGGBPXQEPPJOR-GHMZBOCLSA-N 0 3 354.373 -0.568 20 0 FBADHN C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)NCCN(C)C ZINC000560567281 483879295 /nfs/dbraw/zinc/87/92/95/483879295.db2.gz XBGGBPXQEPPJOR-MNOVXSKESA-N 0 3 354.373 -0.568 20 0 FBADHN C[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)NCCN(C)C ZINC000560567284 483879234 /nfs/dbraw/zinc/87/92/34/483879234.db2.gz XBGGBPXQEPPJOR-QWRGUYRKSA-N 0 3 354.373 -0.568 20 0 FBADHN C[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)NCCN(C)C ZINC000560567286 483879311 /nfs/dbraw/zinc/87/93/11/483879311.db2.gz XBGGBPXQEPPJOR-WDEREUQCSA-N 0 3 354.373 -0.568 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(OC)cn2)CC1=O ZINC000560586397 483879122 /nfs/dbraw/zinc/87/91/22/483879122.db2.gz BWRNLIVNIGZICT-HNNXBMFYSA-N 0 3 364.446 -0.072 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc(OC)cn2)CC1=O ZINC000560586398 483879629 /nfs/dbraw/zinc/87/96/29/483879629.db2.gz BWRNLIVNIGZICT-OAHLLOKOSA-N 0 3 364.446 -0.072 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)CC1=O ZINC000560586409 483879655 /nfs/dbraw/zinc/87/96/55/483879655.db2.gz CMVHRUPUZHCPFW-HNNXBMFYSA-N 0 3 368.478 -0.460 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)C(=O)N2CCC(C)CC2)CC1=O ZINC000560586410 483879964 /nfs/dbraw/zinc/87/99/64/483879964.db2.gz CMVHRUPUZHCPFW-OAHLLOKOSA-N 0 3 368.478 -0.460 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C(N)=O)nc2)CC1=O ZINC000560587186 483879719 /nfs/dbraw/zinc/87/97/19/483879719.db2.gz UUKVZQMJORKKBY-CYBMUJFWSA-N 0 3 363.418 -0.911 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)CC1=O ZINC000560587187 483879574 /nfs/dbraw/zinc/87/95/74/483879574.db2.gz UUKVZQMJORKKBY-ZDUSSCGKSA-N 0 3 363.418 -0.911 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)CC1=O ZINC000560589721 483879612 /nfs/dbraw/zinc/87/96/12/483879612.db2.gz NRPNBFHSQWSBJL-AWEZNQCLSA-N 0 3 374.445 -0.123 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)CC1=O ZINC000560589722 483879880 /nfs/dbraw/zinc/87/98/80/483879880.db2.gz NRPNBFHSQWSBJL-CQSZACIVSA-N 0 3 374.445 -0.123 20 0 FBADHN COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc(OC)c1OCC(N)=O ZINC000560633575 483880866 /nfs/dbraw/zinc/88/08/66/483880866.db2.gz FUFSZYSFWHNMCV-RYUDHWBXSA-N 0 3 367.402 -0.685 20 0 FBADHN COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1S(=O)(=O)N(C)C ZINC000560634046 483880839 /nfs/dbraw/zinc/88/08/39/483880839.db2.gz FHKHDRONFBRFCR-STQMWFEESA-N 0 3 371.459 -0.308 20 0 FBADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000560637494 483880307 /nfs/dbraw/zinc/88/03/07/483880307.db2.gz QFWZWHYIUANMRV-INIZCTEOSA-N 0 3 372.510 -0.409 20 0 FBADHN CC(C)OC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000560637495 483880473 /nfs/dbraw/zinc/88/04/73/483880473.db2.gz QFWZWHYIUANMRV-MRXNPFEDSA-N 0 3 372.510 -0.409 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000560637510 483880830 /nfs/dbraw/zinc/88/08/30/483880830.db2.gz UCELIVYPYUANOE-UHFFFAOYSA-N 0 3 353.511 -0.508 20 0 FBADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000560642660 483881256 /nfs/dbraw/zinc/88/12/56/483881256.db2.gz KDEGSGCPERCAGP-AWEZNQCLSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000560642661 483881172 /nfs/dbraw/zinc/88/11/72/483881172.db2.gz KDEGSGCPERCAGP-CQSZACIVSA-N 0 3 368.478 -0.317 20 0 FBADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000560643736 483881219 /nfs/dbraw/zinc/88/12/19/483881219.db2.gz TWNZYNAEEYQMMJ-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000560643738 483881432 /nfs/dbraw/zinc/88/14/32/483881432.db2.gz TWNZYNAEEYQMMJ-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000560647628 483880873 /nfs/dbraw/zinc/88/08/73/483880873.db2.gz UNIOEDNXUXRXGN-AWEZNQCLSA-N 0 3 367.494 -0.744 20 0 FBADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000560647631 483880538 /nfs/dbraw/zinc/88/05/38/483880538.db2.gz UNIOEDNXUXRXGN-CQSZACIVSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC4)C3)C2)CC1 ZINC000560654556 483881076 /nfs/dbraw/zinc/88/10/76/483881076.db2.gz UEZMXSNWRUUVJX-DOTOQJQBSA-N 0 3 363.506 -0.422 20 0 FBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)C2)CC1 ZINC000560654557 483881311 /nfs/dbraw/zinc/88/13/11/483881311.db2.gz UEZMXSNWRUUVJX-NVXWUHKLSA-N 0 3 363.506 -0.422 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC4)C3)C2)CC1 ZINC000560654558 483881296 /nfs/dbraw/zinc/88/12/96/483881296.db2.gz UEZMXSNWRUUVJX-RDJZCZTQSA-N 0 3 363.506 -0.422 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)C2)CC1 ZINC000560654559 483881401 /nfs/dbraw/zinc/88/14/01/483881401.db2.gz UEZMXSNWRUUVJX-WBVHZDCISA-N 0 3 363.506 -0.422 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C[C@@H](C)O1 ZINC000560654827 483881041 /nfs/dbraw/zinc/88/10/41/483881041.db2.gz FTBGMUUJDJJINK-KFWWJZLASA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C[C@H](C)O1 ZINC000560654828 483881270 /nfs/dbraw/zinc/88/12/70/483881270.db2.gz FTBGMUUJDJJINK-QLFBSQMISA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C[C@@H](C)O1 ZINC000560654829 483881204 /nfs/dbraw/zinc/88/12/04/483881204.db2.gz FTBGMUUJDJJINK-RBSFLKMASA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C[C@H](C)O1 ZINC000560654830 483881284 /nfs/dbraw/zinc/88/12/84/483881284.db2.gz FTBGMUUJDJJINK-ZNMIVQPWSA-N 0 3 352.479 -0.045 20 0 FBADHN O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000560655731 483881533 /nfs/dbraw/zinc/88/15/33/483881533.db2.gz PNJHRSAJDRSAQP-INIZCTEOSA-N 0 3 364.490 -0.090 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000560655732 483881828 /nfs/dbraw/zinc/88/18/28/483881828.db2.gz PNJHRSAJDRSAQP-MRXNPFEDSA-N 0 3 364.490 -0.090 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)COC)CC1 ZINC000560658032 483881866 /nfs/dbraw/zinc/88/18/66/483881866.db2.gz VLFHHYNYCGXTBE-AWEZNQCLSA-N 0 3 356.467 -0.602 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)COC)CC1 ZINC000560658033 483881721 /nfs/dbraw/zinc/88/17/21/483881721.db2.gz VLFHHYNYCGXTBE-CQSZACIVSA-N 0 3 356.467 -0.602 20 0 FBADHN COC[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000560658127 483881774 /nfs/dbraw/zinc/88/17/74/483881774.db2.gz ZHFXKZXYOFKBAR-KBPBESRZSA-N 0 3 354.451 -0.850 20 0 FBADHN COC[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000560658128 483881741 /nfs/dbraw/zinc/88/17/41/483881741.db2.gz ZHFXKZXYOFKBAR-KGLIPLIRSA-N 0 3 354.451 -0.850 20 0 FBADHN COC[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000560658129 483881814 /nfs/dbraw/zinc/88/18/14/483881814.db2.gz ZHFXKZXYOFKBAR-UONOGXRCSA-N 0 3 354.451 -0.850 20 0 FBADHN COC[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000560658130 483881786 /nfs/dbraw/zinc/88/17/86/483881786.db2.gz ZHFXKZXYOFKBAR-ZIAGYGMSSA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(CCN(C)C)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000560673371 483882363 /nfs/dbraw/zinc/88/23/63/483882363.db2.gz OCPUIDNXNWJBAX-UHFFFAOYSA-N 0 3 361.468 -0.957 20 0 FBADHN Cn1c(=O)ccn(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1=O ZINC000560677532 483882132 /nfs/dbraw/zinc/88/21/32/483882132.db2.gz XFEUTTDLTDZQKP-HNNXBMFYSA-N 0 3 358.398 -0.248 20 0 FBADHN Cn1c(=O)ccn(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1=O ZINC000560677533 483882326 /nfs/dbraw/zinc/88/23/26/483882326.db2.gz XFEUTTDLTDZQKP-OAHLLOKOSA-N 0 3 358.398 -0.248 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000560691630 484489099 /nfs/dbraw/zinc/48/90/99/484489099.db2.gz VJVMSQLKJSZADN-UHFFFAOYSA-N 0 3 366.447 0.388 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000560716322 483882638 /nfs/dbraw/zinc/88/26/38/483882638.db2.gz UXJRIHSOOIAMAW-GFCCVEGCSA-N 0 3 368.400 -0.224 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000560716326 483882732 /nfs/dbraw/zinc/88/27/32/483882732.db2.gz UXJRIHSOOIAMAW-LBPRGKRZSA-N 0 3 368.400 -0.224 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CCNC(=O)N(C)C)N1CCC(C)CC1 ZINC000560764229 483884028 /nfs/dbraw/zinc/88/40/28/483884028.db2.gz NRZRHIVXYHCFHQ-AWEZNQCLSA-N 0 3 355.483 -0.047 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)CCNC(=O)N(C)C)N1CCC(C)CC1 ZINC000560764231 483884047 /nfs/dbraw/zinc/88/40/47/483884047.db2.gz NRZRHIVXYHCFHQ-CQSZACIVSA-N 0 3 355.483 -0.047 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1(C)C ZINC000560767994 483883655 /nfs/dbraw/zinc/88/36/55/483883655.db2.gz QTNPTZSLBKEOOC-HNNXBMFYSA-N 0 3 370.494 -0.560 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCOC[C@H]2CCCO2)CC1(C)C ZINC000560767999 483883621 /nfs/dbraw/zinc/88/36/21/483883621.db2.gz QTNPTZSLBKEOOC-OAHLLOKOSA-N 0 3 370.494 -0.560 20 0 FBADHN Cn1nnnc1SCCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000560769951 483883994 /nfs/dbraw/zinc/88/39/94/483883994.db2.gz HZEMANDYKAQYHP-UHFFFAOYSA-N 0 3 369.495 -0.199 20 0 FBADHN COCC(=O)N[C@H](C(=O)NCC(=O)NCCN1CCCCCC1)C(C)C ZINC000560771899 483883924 /nfs/dbraw/zinc/88/39/24/483883924.db2.gz YXWIKTZMRCYMSL-KRWDZBQOSA-N 0 3 370.494 -0.118 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCOCC2CC2)CC1 ZINC000560776467 483884195 /nfs/dbraw/zinc/88/41/95/483884195.db2.gz KKPYZEDPKMIVLZ-UHFFFAOYSA-N 0 3 368.478 -0.458 20 0 FBADHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000560798664 483884492 /nfs/dbraw/zinc/88/44/92/483884492.db2.gz WAXAPEASOSKRDE-KBPBESRZSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000560798665 483884694 /nfs/dbraw/zinc/88/46/94/483884694.db2.gz WAXAPEASOSKRDE-KGLIPLIRSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000560798666 483884525 /nfs/dbraw/zinc/88/45/25/483884525.db2.gz WAXAPEASOSKRDE-UONOGXRCSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000560798667 483884518 /nfs/dbraw/zinc/88/45/18/483884518.db2.gz WAXAPEASOSKRDE-ZIAGYGMSSA-N 0 3 354.451 -0.530 20 0 FBADHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000560798743 483884773 /nfs/dbraw/zinc/88/47/73/483884773.db2.gz YTVBJQSHGXHAHX-KBPBESRZSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000560798744 483884570 /nfs/dbraw/zinc/88/45/70/483884570.db2.gz YTVBJQSHGXHAHX-KGLIPLIRSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000560798745 483884394 /nfs/dbraw/zinc/88/43/94/483884394.db2.gz YTVBJQSHGXHAHX-UONOGXRCSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000560798746 483884532 /nfs/dbraw/zinc/88/45/32/483884532.db2.gz YTVBJQSHGXHAHX-ZIAGYGMSSA-N 0 3 374.507 -0.353 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)CC1 ZINC000560851944 483885422 /nfs/dbraw/zinc/88/54/22/483885422.db2.gz POGKPZLIGGFMAU-AWEZNQCLSA-N 0 3 366.466 -0.212 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H](C)Cn2cncn2)CC1 ZINC000560851951 483885599 /nfs/dbraw/zinc/88/55/99/483885599.db2.gz POGKPZLIGGFMAU-CQSZACIVSA-N 0 3 366.466 -0.212 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)CN1CCOCC1 ZINC000560884897 483885689 /nfs/dbraw/zinc/88/56/89/483885689.db2.gz OXJMYMQDMFZWFM-CVEARBPZSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)CN1CCOCC1 ZINC000560884899 483885790 /nfs/dbraw/zinc/88/57/90/483885790.db2.gz OXJMYMQDMFZWFM-HOTGVXAUSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)CN1CCOCC1 ZINC000560884901 483886044 /nfs/dbraw/zinc/88/60/44/483886044.db2.gz OXJMYMQDMFZWFM-HZPDHXFCSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)CN1CCOCC1 ZINC000560884902 483886020 /nfs/dbraw/zinc/88/60/20/483886020.db2.gz OXJMYMQDMFZWFM-JKSUJKDBSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)CN1CCOCC1 ZINC000560885907 483886430 /nfs/dbraw/zinc/88/64/30/483886430.db2.gz QMCIAWJKROVCRY-BZUAXINKSA-N 0 3 354.495 -0.131 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)CN1CCOCC1 ZINC000560885909 483886446 /nfs/dbraw/zinc/88/64/46/483886446.db2.gz QMCIAWJKROVCRY-OAGGEKHMSA-N 0 3 354.495 -0.131 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)CN1CCOCC1 ZINC000560886012 483886551 /nfs/dbraw/zinc/88/65/51/483886551.db2.gz QMCIAWJKROVCRY-OWCLPIDISA-N 0 3 354.495 -0.131 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)CN1CCOCC1 ZINC000560886013 483886340 /nfs/dbraw/zinc/88/63/40/483886340.db2.gz QMCIAWJKROVCRY-PMPSAXMXSA-N 0 3 354.495 -0.131 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000560898004 484521240 /nfs/dbraw/zinc/52/12/40/484521240.db2.gz DAAOJSVNKMOFOQ-UHFFFAOYSA-N 0 3 369.495 -0.383 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000560898713 483886357 /nfs/dbraw/zinc/88/63/57/483886357.db2.gz MHJSODCHEIDTLH-UHFFFAOYSA-N 0 3 350.467 -0.098 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000560899548 483886810 /nfs/dbraw/zinc/88/68/10/483886810.db2.gz PXQIOQPGRIHPSH-UHFFFAOYSA-N 0 3 370.494 -0.070 20 0 FBADHN CN(C)C1(CN(C)C(=O)C(=O)NCCNC(=O)c2cnccn2)CCC1 ZINC000560908843 483887577 /nfs/dbraw/zinc/88/75/77/483887577.db2.gz BHTQYGRGICMWNB-UHFFFAOYSA-N 0 3 362.434 -0.735 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000560912474 483888163 /nfs/dbraw/zinc/88/81/63/483888163.db2.gz VCBBGXYENFYETM-CHWSQXEVSA-N 0 3 360.418 -0.982 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000560912475 483888538 /nfs/dbraw/zinc/88/85/38/483888538.db2.gz VCBBGXYENFYETM-OLZOCXBDSA-N 0 3 360.418 -0.982 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000560912476 483888406 /nfs/dbraw/zinc/88/84/06/483888406.db2.gz VCBBGXYENFYETM-QWHCGFSZSA-N 0 3 360.418 -0.982 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000560912477 483888422 /nfs/dbraw/zinc/88/84/22/483888422.db2.gz VCBBGXYENFYETM-STQMWFEESA-N 0 3 360.418 -0.982 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000560916086 483888050 /nfs/dbraw/zinc/88/80/50/483888050.db2.gz ODGFKVOHSOAHET-UHFFFAOYSA-N 0 3 370.494 -0.068 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCNC(=O)C(C)(C)C)CCCO1 ZINC000560933207 483888897 /nfs/dbraw/zinc/88/88/97/483888897.db2.gz QASNCYMRIOJIEN-AWEZNQCLSA-N 0 3 370.494 -0.118 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCNC(=O)C(C)(C)C)CCCO1 ZINC000560933210 483888736 /nfs/dbraw/zinc/88/87/36/483888736.db2.gz QASNCYMRIOJIEN-CQSZACIVSA-N 0 3 370.494 -0.118 20 0 FBADHN COCCN(C)CCNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000560939118 483888914 /nfs/dbraw/zinc/88/89/14/483888914.db2.gz JSZGUELNDXUOCN-UHFFFAOYSA-N 0 3 370.494 -0.748 20 0 FBADHN COCCN(C)CCNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000560939970 483888686 /nfs/dbraw/zinc/88/86/86/483888686.db2.gz RWKFQIWLQSLAKT-MRXNPFEDSA-N 0 3 370.494 -0.748 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000560962627 483889347 /nfs/dbraw/zinc/88/93/47/483889347.db2.gz VPMWSHDNSJKDQB-HNNXBMFYSA-N 0 3 368.478 -0.412 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000560962629 483889404 /nfs/dbraw/zinc/88/94/04/483889404.db2.gz VPMWSHDNSJKDQB-OAHLLOKOSA-N 0 3 368.478 -0.412 20 0 FBADHN COc1nnc(NC(=O)N2CCC(C(=O)NCCN(C)C)CC2)s1 ZINC000560985496 484462784 /nfs/dbraw/zinc/46/27/84/484462784.db2.gz HHDRVNIBVCPXJV-UHFFFAOYSA-N 0 3 356.452 0.468 20 0 FBADHN CN(C)c1nc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000561008133 483890099 /nfs/dbraw/zinc/89/00/99/483890099.db2.gz KGXKLJRGCGSHTK-LLVKDONJSA-N 0 3 350.423 -0.435 20 0 FBADHN CN(C)c1nc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000561008133 483890096 /nfs/dbraw/zinc/89/00/96/483890096.db2.gz KGXKLJRGCGSHTK-LLVKDONJSA-N 0 3 350.423 -0.435 20 0 FBADHN CN(C)c1nc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000561008134 483890000 /nfs/dbraw/zinc/89/00/00/483890000.db2.gz KGXKLJRGCGSHTK-NSHDSACASA-N 0 3 350.423 -0.435 20 0 FBADHN CN(C)c1nc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000561008134 483889997 /nfs/dbraw/zinc/88/99/97/483889997.db2.gz KGXKLJRGCGSHTK-NSHDSACASA-N 0 3 350.423 -0.435 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1)C1CC1 ZINC000561012390 483889966 /nfs/dbraw/zinc/88/99/66/483889966.db2.gz CAHYQGZKPLMQHS-UHFFFAOYSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CC1 ZINC000561012487 483890295 /nfs/dbraw/zinc/89/02/95/483890295.db2.gz GFVUTNIKEHMDCM-UHFFFAOYSA-N 0 3 365.478 -0.990 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000561012758 483890191 /nfs/dbraw/zinc/89/01/91/483890191.db2.gz NHAHRVUBAQHCDK-AWEZNQCLSA-N 0 3 350.467 -0.100 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000561012759 483890173 /nfs/dbraw/zinc/89/01/73/483890173.db2.gz NHAHRVUBAQHCDK-CQSZACIVSA-N 0 3 350.467 -0.100 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC000561013308 483890058 /nfs/dbraw/zinc/89/00/58/483890058.db2.gz JWXQDHCMSJAFDP-AWEZNQCLSA-N 0 3 370.494 -0.023 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC000561013309 483889942 /nfs/dbraw/zinc/88/99/42/483889942.db2.gz JWXQDHCMSJAFDP-CQSZACIVSA-N 0 3 370.494 -0.023 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)C1CC1 ZINC000561013645 483890284 /nfs/dbraw/zinc/89/02/84/483890284.db2.gz ZMUVGAPVUGZEDF-UHFFFAOYSA-N 0 3 350.341 -0.223 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000561013905 483889954 /nfs/dbraw/zinc/88/99/54/483889954.db2.gz UKHBSKOEYZTWGZ-BPUTZDHNSA-N 0 3 365.478 -0.199 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000561013906 483890276 /nfs/dbraw/zinc/89/02/76/483890276.db2.gz UKHBSKOEYZTWGZ-KBMXLJTQSA-N 0 3 365.478 -0.199 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC000561044458 483890591 /nfs/dbraw/zinc/89/05/91/483890591.db2.gz FCKAFALUWBXBEA-KBXCAEBGSA-N 0 3 368.478 -0.412 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@]1(C)CCOC1 ZINC000561044459 483890714 /nfs/dbraw/zinc/89/07/14/483890714.db2.gz FCKAFALUWBXBEA-KDOFPFPSSA-N 0 3 368.478 -0.412 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@]1(C)CCOC1 ZINC000561044460 483890471 /nfs/dbraw/zinc/89/04/71/483890471.db2.gz FCKAFALUWBXBEA-KSSFIOAISA-N 0 3 368.478 -0.412 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC000561044461 483890630 /nfs/dbraw/zinc/89/06/30/483890630.db2.gz FCKAFALUWBXBEA-RDTXWAMCSA-N 0 3 368.478 -0.412 20 0 FBADHN CCN(CCCO)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000561045357 483890707 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CCN1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)N(C)C3CC3)C2)CC1 ZINC000561189130 483895522 /nfs/dbraw/zinc/89/55/22/483895522.db2.gz XAVSHJZPKPNTFY-NVXWUHKLSA-N 0 3 365.522 -0.176 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)N(C)C3CC3)C2)CC1 ZINC000561189131 483895388 /nfs/dbraw/zinc/89/53/88/483895388.db2.gz XAVSHJZPKPNTFY-RDJZCZTQSA-N 0 3 365.522 -0.176 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C)N(C)C3CC3)C2)CC1 ZINC000561189132 483895174 /nfs/dbraw/zinc/89/51/74/483895174.db2.gz XAVSHJZPKPNTFY-WBVHZDCISA-N 0 3 365.522 -0.176 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)N(C)C1CC1 ZINC000561194680 483895359 /nfs/dbraw/zinc/89/53/59/483895359.db2.gz SIUIESLGGSSAMB-GXSJLCMTSA-N 0 3 364.368 -0.135 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)N(C)C1CC1 ZINC000561194681 483895629 /nfs/dbraw/zinc/89/56/29/483895629.db2.gz SIUIESLGGSSAMB-KOLCDFICSA-N 0 3 364.368 -0.135 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)N(C)C1CC1 ZINC000561194682 483895428 /nfs/dbraw/zinc/89/54/28/483895428.db2.gz SIUIESLGGSSAMB-MWLCHTKSSA-N 0 3 364.368 -0.135 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)N(C)C1CC1 ZINC000561194683 483895433 /nfs/dbraw/zinc/89/54/33/483895433.db2.gz SIUIESLGGSSAMB-ONGXEEELSA-N 0 3 364.368 -0.135 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000561194729 483895538 /nfs/dbraw/zinc/89/55/38/483895538.db2.gz UBTJGNHQQALHAA-AAEUAGOBSA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000561194730 483895348 /nfs/dbraw/zinc/89/53/48/483895348.db2.gz UBTJGNHQQALHAA-DGCLKSJQSA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000561194731 483895132 /nfs/dbraw/zinc/89/51/32/483895132.db2.gz UBTJGNHQQALHAA-WCQYABFASA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000561194732 483895325 /nfs/dbraw/zinc/89/53/25/483895325.db2.gz UBTJGNHQQALHAA-YPMHNXCESA-N 0 3 360.480 -0.875 20 0 FBADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000561198625 483895880 /nfs/dbraw/zinc/89/58/80/483895880.db2.gz ZYHZAXQVYBRFHH-GDBMZVCRSA-N 0 3 362.430 -0.046 20 0 FBADHN O=C(NC[C@H]1CNCCO1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000561198626 483896149 /nfs/dbraw/zinc/89/61/49/483896149.db2.gz ZYHZAXQVYBRFHH-GOEBONIOSA-N 0 3 362.430 -0.046 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000561198627 483896047 /nfs/dbraw/zinc/89/60/47/483896047.db2.gz ZYHZAXQVYBRFHH-HOCLYGCPSA-N 0 3 362.430 -0.046 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000561198628 483895936 /nfs/dbraw/zinc/89/59/36/483895936.db2.gz ZYHZAXQVYBRFHH-ZBFHGGJFSA-N 0 3 362.430 -0.046 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCCN2CCCCC2=O)n1 ZINC000561209473 483896031 /nfs/dbraw/zinc/89/60/31/483896031.db2.gz FYLLWGKAUVTORN-UHFFFAOYSA-N 0 3 351.455 -0.824 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000561211196 483896723 /nfs/dbraw/zinc/89/67/23/483896723.db2.gz XKAXHXYLJBUVKE-NEPJUHHUSA-N 0 3 372.495 -0.871 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000561211201 483896753 /nfs/dbraw/zinc/89/67/53/483896753.db2.gz XKAXHXYLJBUVKE-NWDGAFQWSA-N 0 3 372.495 -0.871 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000561211202 483896858 /nfs/dbraw/zinc/89/68/58/483896858.db2.gz XKAXHXYLJBUVKE-RYUDHWBXSA-N 0 3 372.495 -0.871 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000561211204 483896734 /nfs/dbraw/zinc/89/67/34/483896734.db2.gz XKAXHXYLJBUVKE-VXGBXAGGSA-N 0 3 372.495 -0.871 20 0 FBADHN COc1ccccc1[C@@H](CO)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000561229845 483897604 /nfs/dbraw/zinc/89/76/04/483897604.db2.gz ZFSVWQCXFGADSY-CYBMUJFWSA-N 0 3 362.434 -0.484 20 0 FBADHN COc1ccccc1[C@H](CO)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000561229846 483897644 /nfs/dbraw/zinc/89/76/44/483897644.db2.gz ZFSVWQCXFGADSY-ZDUSSCGKSA-N 0 3 362.434 -0.484 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCOCCc2ccccc2)[C@@H](CN)C1 ZINC000561229905 483897400 /nfs/dbraw/zinc/89/74/00/483897400.db2.gz KWORKQAGCNYAPR-KRWDZBQOSA-N 0 3 362.474 -0.147 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCOCCc2ccccc2)[C@H](CN)C1 ZINC000561229906 483897525 /nfs/dbraw/zinc/89/75/25/483897525.db2.gz KWORKQAGCNYAPR-QGZVFWFLSA-N 0 3 362.474 -0.147 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)n1 ZINC000561230460 483897385 /nfs/dbraw/zinc/89/73/85/483897385.db2.gz QMTVFEOKVRFXAB-CHWSQXEVSA-N 0 3 365.482 -0.579 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)n1 ZINC000561230461 483897693 /nfs/dbraw/zinc/89/76/93/483897693.db2.gz QMTVFEOKVRFXAB-OLZOCXBDSA-N 0 3 365.482 -0.579 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)n1 ZINC000561230462 483897475 /nfs/dbraw/zinc/89/74/75/483897475.db2.gz QMTVFEOKVRFXAB-QWHCGFSZSA-N 0 3 365.482 -0.579 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[C@H](C(=O)N(C)C)C2)n1 ZINC000561230463 483897542 /nfs/dbraw/zinc/89/75/42/483897542.db2.gz QMTVFEOKVRFXAB-STQMWFEESA-N 0 3 365.482 -0.579 20 0 FBADHN COCc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)ccc1F ZINC000561230919 483897404 /nfs/dbraw/zinc/89/74/04/483897404.db2.gz SXUJSABVGIHMJK-AWEZNQCLSA-N 0 3 352.410 -0.310 20 0 FBADHN COCc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)ccc1F ZINC000561230932 483897333 /nfs/dbraw/zinc/89/73/33/483897333.db2.gz SXUJSABVGIHMJK-CQSZACIVSA-N 0 3 352.410 -0.310 20 0 FBADHN Cc1nc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)nc2ccccc12 ZINC000561235151 483897489 /nfs/dbraw/zinc/89/74/89/483897489.db2.gz KFYXOIQXPVTAJR-CYBMUJFWSA-N 0 3 356.430 -0.344 20 0 FBADHN Cc1nc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)nc2ccccc12 ZINC000561235152 483897588 /nfs/dbraw/zinc/89/75/88/483897588.db2.gz KFYXOIQXPVTAJR-ZDUSSCGKSA-N 0 3 356.430 -0.344 20 0 FBADHN CN1CCN(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)[C@@H](CN)C1 ZINC000561243425 483898210 /nfs/dbraw/zinc/89/82/10/483898210.db2.gz RCUQBTPULATQRL-KRWDZBQOSA-N 0 3 359.474 -0.127 20 0 FBADHN CN1CCN(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)[C@H](CN)C1 ZINC000561243426 483898176 /nfs/dbraw/zinc/89/81/76/483898176.db2.gz RCUQBTPULATQRL-QGZVFWFLSA-N 0 3 359.474 -0.127 20 0 FBADHN CN(C)CCOC1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 ZINC000561246663 483898026 /nfs/dbraw/zinc/89/80/26/483898026.db2.gz YZHBZPJPFBYRHH-UHFFFAOYSA-N 0 3 350.485 -0.706 20 0 FBADHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCNCC1 ZINC000561249377 483898282 /nfs/dbraw/zinc/89/82/82/483898282.db2.gz ONHBBAGFFQHJSP-HNNXBMFYSA-N 0 3 367.494 -0.839 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCNCC1 ZINC000561249380 483898240 /nfs/dbraw/zinc/89/82/40/483898240.db2.gz ONHBBAGFFQHJSP-OAHLLOKOSA-N 0 3 367.494 -0.839 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)CC(F)(F)F ZINC000561249396 483898186 /nfs/dbraw/zinc/89/81/86/483898186.db2.gz SIAMKEXGZSHISB-LLVKDONJSA-N 0 3 353.389 -0.912 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)CC(F)(F)F ZINC000561249398 483897959 /nfs/dbraw/zinc/89/79/59/483897959.db2.gz SIAMKEXGZSHISB-NSHDSACASA-N 0 3 353.389 -0.912 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(N3CCCC3=O)c2)[C@@H](CN)C1 ZINC000561252490 483898063 /nfs/dbraw/zinc/89/80/63/483898063.db2.gz QNCGYZLKRWLQMZ-INIZCTEOSA-N 0 3 373.457 -0.469 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(N3CCCC3=O)c2)[C@H](CN)C1 ZINC000561252491 483898000 /nfs/dbraw/zinc/89/80/00/483898000.db2.gz QNCGYZLKRWLQMZ-MRXNPFEDSA-N 0 3 373.457 -0.469 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)cc1 ZINC000561255458 483898777 /nfs/dbraw/zinc/89/87/77/483898777.db2.gz CJLMINPSBMFWBO-CVEARBPZSA-N 0 3 365.453 -0.354 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(F)cc1 ZINC000561255459 483898630 /nfs/dbraw/zinc/89/86/30/483898630.db2.gz CJLMINPSBMFWBO-HOTGVXAUSA-N 0 3 365.453 -0.354 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)cc1 ZINC000561255460 483898483 /nfs/dbraw/zinc/89/84/83/483898483.db2.gz CJLMINPSBMFWBO-HZPDHXFCSA-N 0 3 365.453 -0.354 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(F)cc1 ZINC000561255462 483898492 /nfs/dbraw/zinc/89/84/92/483898492.db2.gz CJLMINPSBMFWBO-JKSUJKDBSA-N 0 3 365.453 -0.354 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2nc3c(s2)CCCC3)[C@H](CN)C1 ZINC000561255581 483898593 /nfs/dbraw/zinc/89/85/93/483898593.db2.gz WSRASMZAGCPGFF-GFCCVEGCSA-N 0 3 365.503 -0.218 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2nc3c(s2)CCCC3)[C@@H](CN)C1 ZINC000561255583 483898644 /nfs/dbraw/zinc/89/86/44/483898644.db2.gz WSRASMZAGCPGFF-LBPRGKRZSA-N 0 3 365.503 -0.218 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000561256402 483898796 /nfs/dbraw/zinc/89/87/96/483898796.db2.gz ISYFHHQCCOEXMY-FUHWJXTLSA-N 0 3 373.501 -0.088 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000561256403 483898457 /nfs/dbraw/zinc/89/84/57/483898457.db2.gz ISYFHHQCCOEXMY-WMZOPIPTSA-N 0 3 373.501 -0.088 20 0 FBADHN O=C(NC1CNC1)C(=O)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000561256765 483898872 /nfs/dbraw/zinc/89/88/72/483898872.db2.gz IQHHZNOBXXBPOC-UHFFFAOYSA-N 0 3 361.446 -0.780 20 0 FBADHN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)NC3CNC3)CC2)c1 ZINC000561256782 483898761 /nfs/dbraw/zinc/89/87/61/483898761.db2.gz KPPHLDXRRIFAHV-AWEZNQCLSA-N 0 3 374.441 -0.479 20 0 FBADHN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)NC3CNC3)CC2)c1 ZINC000561256783 483898721 /nfs/dbraw/zinc/89/87/21/483898721.db2.gz KPPHLDXRRIFAHV-CQSZACIVSA-N 0 3 374.441 -0.479 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000561256841 483898843 /nfs/dbraw/zinc/89/88/43/483898843.db2.gz SWRUSQDQAJDYBD-UHFFFAOYSA-N 0 3 368.796 -0.149 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000561256877 483898729 /nfs/dbraw/zinc/89/87/29/483898729.db2.gz ZZIUFZNTMHEMAK-UHFFFAOYSA-N 0 3 368.796 -0.149 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000561257087 483898523 /nfs/dbraw/zinc/89/85/23/483898523.db2.gz YJMWPUUUEZPBDP-UHFFFAOYSA-N 0 3 350.806 -0.288 20 0 FBADHN 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/nfs/dbraw/zinc/92/50/94/483925094.db2.gz FMOPVOHNABVKQH-CABCVRRESA-N 0 3 368.478 -0.271 20 0 FBADHN CO[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000561739935 483925481 /nfs/dbraw/zinc/92/54/81/483925481.db2.gz FMOPVOHNABVKQH-GJZGRUSLSA-N 0 3 368.478 -0.271 20 0 FBADHN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000561739936 483925172 /nfs/dbraw/zinc/92/51/72/483925172.db2.gz FMOPVOHNABVKQH-HUUCEWRRSA-N 0 3 368.478 -0.271 20 0 FBADHN CO[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000561739937 483925328 /nfs/dbraw/zinc/92/53/28/483925328.db2.gz FMOPVOHNABVKQH-LSDHHAIUSA-N 0 3 368.478 -0.271 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000561739955 483927925 /nfs/dbraw/zinc/92/79/25/483927925.db2.gz FZMRUROWILOMIG-GOSISDBHSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000561739956 483927491 /nfs/dbraw/zinc/92/74/91/483927491.db2.gz FZMRUROWILOMIG-SFHVURJKSA-N 0 3 368.478 -0.269 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CC1 ZINC000561740473 483926045 /nfs/dbraw/zinc/92/60/45/483926045.db2.gz JXFCCPGGQGZTEA-OAHLLOKOSA-N 0 3 360.524 -0.104 20 0 FBADHN COCCN1CN(C(=O)NCc2ccncc2OCCN(C)C)CC1=O ZINC000561742968 483927589 /nfs/dbraw/zinc/92/75/89/483927589.db2.gz JDVZAZGHEWZUNL-UHFFFAOYSA-N 0 3 365.434 -0.020 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000561757366 483928076 /nfs/dbraw/zinc/92/80/76/483928076.db2.gz FPESUSYQCZIUNK-HNNXBMFYSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000561757367 483927013 /nfs/dbraw/zinc/92/70/13/483927013.db2.gz FPESUSYQCZIUNK-OAHLLOKOSA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000561758510 483927518 /nfs/dbraw/zinc/92/75/18/483927518.db2.gz CNAYWEUESIHIHE-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC2CCN(CCOC(C)C)CC2)CCO1 ZINC000561759162 483928100 /nfs/dbraw/zinc/92/81/00/483928100.db2.gz FKTZCEVETMUWLQ-INIZCTEOSA-N 0 3 371.478 -0.134 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)NC2CCN(CCOC(C)C)CC2)CCO1 ZINC000561759164 483927628 /nfs/dbraw/zinc/92/76/28/483927628.db2.gz FKTZCEVETMUWLQ-MRXNPFEDSA-N 0 3 371.478 -0.134 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000561760387 483926961 /nfs/dbraw/zinc/92/69/61/483926961.db2.gz YZTWRPQLLWMJNK-UHFFFAOYSA-N 0 3 369.510 -0.546 20 0 FBADHN C[C@@H]1C[C@H]1N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)C1 ZINC000561763998 483927457 /nfs/dbraw/zinc/92/74/57/483927457.db2.gz CCAXCMAWLOZIII-ARFHVFGLSA-N 0 3 372.535 -0.248 20 0 FBADHN C[C@H]1C[C@H]1N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)C1 ZINC000561764003 483927656 /nfs/dbraw/zinc/92/76/56/483927656.db2.gz CCAXCMAWLOZIII-HRCADAONSA-N 0 3 372.535 -0.248 20 0 FBADHN C[C@H]1C[C@@H]1N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)C1 ZINC000561764005 483929423 /nfs/dbraw/zinc/92/94/23/483929423.db2.gz CCAXCMAWLOZIII-JYJNAYRXSA-N 0 3 372.535 -0.248 20 0 FBADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)C1 ZINC000561764007 483929080 /nfs/dbraw/zinc/92/90/80/483929080.db2.gz CCAXCMAWLOZIII-XHSDSOJGSA-N 0 3 372.535 -0.248 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000561767147 483928618 /nfs/dbraw/zinc/92/86/18/483928618.db2.gz VYBULTPRTIUOMQ-VIFPVBQESA-N 0 3 356.404 -0.692 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cn1C ZINC000561774114 483928820 /nfs/dbraw/zinc/92/88/20/483928820.db2.gz MTQQCWZTHLXZGX-HNNXBMFYSA-N 0 3 355.464 -0.439 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn1C ZINC000561774114 483928815 /nfs/dbraw/zinc/92/88/15/483928815.db2.gz MTQQCWZTHLXZGX-HNNXBMFYSA-N 0 3 355.464 -0.439 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1C ZINC000561774117 483929469 /nfs/dbraw/zinc/92/94/69/483929469.db2.gz MTQQCWZTHLXZGX-OAHLLOKOSA-N 0 3 355.464 -0.439 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn1C ZINC000561774117 483929466 /nfs/dbraw/zinc/92/94/66/483929466.db2.gz MTQQCWZTHLXZGX-OAHLLOKOSA-N 0 3 355.464 -0.439 20 0 FBADHN CN1CC[C@@]2(CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)C1 ZINC000561774522 483929758 /nfs/dbraw/zinc/92/97/58/483929758.db2.gz UJIHJPNDGHZTGB-GOSISDBHSA-N 0 3 359.430 -0.257 20 0 FBADHN CN1CC[C@]2(CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)C1 ZINC000561774523 483929351 /nfs/dbraw/zinc/92/93/51/483929351.db2.gz UJIHJPNDGHZTGB-SFHVURJKSA-N 0 3 359.430 -0.257 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000561814196 483932795 /nfs/dbraw/zinc/93/27/95/483932795.db2.gz JFPZIJRFSFTVCT-UHFFFAOYSA-N 0 3 367.498 -0.946 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000561842919 483936205 /nfs/dbraw/zinc/93/62/05/483936205.db2.gz QQHPDNDRPYHTMA-UHFFFAOYSA-N 0 3 363.418 -0.031 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1cnn(C)c1 ZINC000561848280 483936909 /nfs/dbraw/zinc/93/69/09/483936909.db2.gz AFPYSYDEAMIMST-CYBMUJFWSA-N 0 3 350.467 -0.261 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1cnn(C)c1 ZINC000561848281 483936259 /nfs/dbraw/zinc/93/62/59/483936259.db2.gz AFPYSYDEAMIMST-ZDUSSCGKSA-N 0 3 350.467 -0.261 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000561855286 483937788 /nfs/dbraw/zinc/93/77/88/483937788.db2.gz LFJZFLQACINXTK-UHFFFAOYSA-N 0 3 364.450 -0.951 20 0 FBADHN C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000561869632 483940140 /nfs/dbraw/zinc/94/01/40/483940140.db2.gz HXLYRTMYJWZDOM-BXUZGUMPSA-N 0 3 356.448 -0.020 20 0 FBADHN C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000561869632 483940129 /nfs/dbraw/zinc/94/01/29/483940129.db2.gz HXLYRTMYJWZDOM-BXUZGUMPSA-N 0 3 356.448 -0.020 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CN1C1CC1 ZINC000561880129 483940063 /nfs/dbraw/zinc/94/00/63/483940063.db2.gz IRNCTAHBGRCWGH-BZUAXINKSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CN1C1CC1 ZINC000561880130 483939744 /nfs/dbraw/zinc/93/97/44/483939744.db2.gz IRNCTAHBGRCWGH-OAGGEKHMSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CN1C1CC1 ZINC000561880131 483939569 /nfs/dbraw/zinc/93/95/69/483939569.db2.gz IRNCTAHBGRCWGH-OWCLPIDISA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CN1C1CC1 ZINC000561880132 483939858 /nfs/dbraw/zinc/93/98/58/483939858.db2.gz IRNCTAHBGRCWGH-PMPSAXMXSA-N 0 3 364.490 -0.092 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000561947760 483948850 /nfs/dbraw/zinc/94/88/50/483948850.db2.gz DCONQWVLKVDHKU-HNNXBMFYSA-N 0 3 372.425 -0.624 20 0 FBADHN N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000561947761 483948723 /nfs/dbraw/zinc/94/87/23/483948723.db2.gz DCONQWVLKVDHKU-OAHLLOKOSA-N 0 3 372.425 -0.624 20 0 FBADHN NC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCCCC1 ZINC000561948427 483950772 /nfs/dbraw/zinc/95/07/72/483950772.db2.gz RZIKPEVPMBAVJY-UHFFFAOYSA-N 0 3 350.419 -0.532 20 0 FBADHN CSCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000561949138 483950702 /nfs/dbraw/zinc/95/07/02/483950702.db2.gz QNANULGXLOOKCU-CYBMUJFWSA-N 0 3 358.489 -0.005 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCNCC2)c1 ZINC000561950997 483949830 /nfs/dbraw/zinc/94/98/30/483949830.db2.gz NDSHKEYRHLWJPX-UHFFFAOYSA-N 0 3 370.475 -0.299 20 0 FBADHN O=C(CN1CCN(c2ccccn2)CC1)NC[C@]1(O)CN2CCC1CC2 ZINC000561960061 483950457 /nfs/dbraw/zinc/95/04/57/483950457.db2.gz LFSDYMYEHJSHQE-IBGZPJMESA-N 0 3 359.474 -0.224 20 0 FBADHN O=C(CN1CCN(c2ccccn2)CC1)NC[C@@]1(O)CN2CCC1CC2 ZINC000561960064 483949919 /nfs/dbraw/zinc/94/99/19/483949919.db2.gz LFSDYMYEHJSHQE-LJQANCHMSA-N 0 3 359.474 -0.224 20 0 FBADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000561960357 483950800 /nfs/dbraw/zinc/95/08/00/483950800.db2.gz PADCQDKFAZEWBR-IBGZPJMESA-N 0 3 372.425 -0.075 20 0 FBADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000561960361 483950176 /nfs/dbraw/zinc/95/01/76/483950176.db2.gz PADCQDKFAZEWBR-LJQANCHMSA-N 0 3 372.425 -0.075 20 0 FBADHN C[C@@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)C(=O)NCCN(C)C ZINC000561967338 483951907 /nfs/dbraw/zinc/95/19/07/483951907.db2.gz DGLFMQVFMGODRH-NXEZZACHSA-N 0 3 355.468 -0.329 20 0 FBADHN C[C@H](NC(=O)[C@H](C)Sc1nnnn1C1CC1)C(=O)NCCN(C)C ZINC000561967341 483953064 /nfs/dbraw/zinc/95/30/64/483953064.db2.gz DGLFMQVFMGODRH-UWVGGRQHSA-N 0 3 355.468 -0.329 20 0 FBADHN C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000561967343 483952244 /nfs/dbraw/zinc/95/22/44/483952244.db2.gz DGLFMQVFMGODRH-VHSXEESVSA-N 0 3 355.468 -0.329 20 0 FBADHN C[C@@H](NC(=O)[C@H](C)Sc1nnnn1C1CC1)C(=O)NCCN(C)C ZINC000561967344 483952341 /nfs/dbraw/zinc/95/23/41/483952341.db2.gz DGLFMQVFMGODRH-ZJUUUORDSA-N 0 3 355.468 -0.329 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCN1CCOC(C)(C)C1)C1=CCN(C)CC1 ZINC000561968219 483952764 /nfs/dbraw/zinc/95/27/64/483952764.db2.gz LCZJCWFYTZAWON-AWEZNQCLSA-N 0 3 352.479 -0.020 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCN1CCOC(C)(C)C1)C1=CCN(C)CC1 ZINC000561968220 483952450 /nfs/dbraw/zinc/95/24/50/483952450.db2.gz LCZJCWFYTZAWON-CQSZACIVSA-N 0 3 352.479 -0.020 20 0 FBADHN O=C(NCc1ccc(OCCN2CCCC2)cc1)C(=O)N1CCNC(=O)C1 ZINC000561991023 483953984 /nfs/dbraw/zinc/95/39/84/483953984.db2.gz QPRUSFFYQGCWCQ-UHFFFAOYSA-N 0 3 374.441 -0.264 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000561991840 483954902 /nfs/dbraw/zinc/95/49/02/483954902.db2.gz FQZFCDCMYOJOHZ-CVEARBPZSA-N 0 3 351.495 -0.519 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000561991843 483954552 /nfs/dbraw/zinc/95/45/52/483954552.db2.gz FQZFCDCMYOJOHZ-HOTGVXAUSA-N 0 3 351.495 -0.519 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000561991845 483954274 /nfs/dbraw/zinc/95/42/74/483954274.db2.gz FQZFCDCMYOJOHZ-HZPDHXFCSA-N 0 3 351.495 -0.519 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000561991847 483954238 /nfs/dbraw/zinc/95/42/38/483954238.db2.gz FQZFCDCMYOJOHZ-JKSUJKDBSA-N 0 3 351.495 -0.519 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)NCC2(C)COC2)ccn1 ZINC000561992597 483955031 /nfs/dbraw/zinc/95/50/31/483955031.db2.gz YHULVPCNYAREGP-UHFFFAOYSA-N 0 3 350.419 -0.209 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000561995912 483955902 /nfs/dbraw/zinc/95/59/02/483955902.db2.gz KRBZCVNYJVWYSM-ARFHVFGLSA-N 0 3 373.494 -0.154 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000561995916 483957083 /nfs/dbraw/zinc/95/70/83/483957083.db2.gz KRBZCVNYJVWYSM-BZUAXINKSA-N 0 3 373.494 -0.154 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000561995917 483957152 /nfs/dbraw/zinc/95/71/52/483957152.db2.gz KRBZCVNYJVWYSM-HRCADAONSA-N 0 3 373.494 -0.154 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000561995918 483956430 /nfs/dbraw/zinc/95/64/30/483956430.db2.gz KRBZCVNYJVWYSM-OWCLPIDISA-N 0 3 373.494 -0.154 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000561997378 483956506 /nfs/dbraw/zinc/95/65/06/483956506.db2.gz ACAZPINUKKEQCG-KBPBESRZSA-N 0 3 354.451 -0.707 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000561997382 483956770 /nfs/dbraw/zinc/95/67/70/483956770.db2.gz ACAZPINUKKEQCG-KGLIPLIRSA-N 0 3 354.451 -0.707 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000561997383 483956231 /nfs/dbraw/zinc/95/62/31/483956231.db2.gz ACAZPINUKKEQCG-UONOGXRCSA-N 0 3 354.451 -0.707 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000561997384 483956549 /nfs/dbraw/zinc/95/65/49/483956549.db2.gz ACAZPINUKKEQCG-ZIAGYGMSSA-N 0 3 354.451 -0.707 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000561998388 483956020 /nfs/dbraw/zinc/95/60/20/483956020.db2.gz JFQCPFHNGXJWGL-KBPBESRZSA-N 0 3 351.451 -0.006 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000561998396 483956405 /nfs/dbraw/zinc/95/64/05/483956405.db2.gz JFQCPFHNGXJWGL-KGLIPLIRSA-N 0 3 351.451 -0.006 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000561998397 483955870 /nfs/dbraw/zinc/95/58/70/483955870.db2.gz JFQCPFHNGXJWGL-UONOGXRCSA-N 0 3 351.451 -0.006 20 0 FBADHN COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000561998399 483956571 /nfs/dbraw/zinc/95/65/71/483956571.db2.gz JFQCPFHNGXJWGL-ZIAGYGMSSA-N 0 3 351.451 -0.006 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000561998930 483957243 /nfs/dbraw/zinc/95/72/43/483957243.db2.gz LMGDLJMNFNJRPJ-KBPBESRZSA-N 0 3 368.478 -0.319 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000561998933 483957257 /nfs/dbraw/zinc/95/72/57/483957257.db2.gz LMGDLJMNFNJRPJ-KGLIPLIRSA-N 0 3 368.478 -0.319 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000561998935 483955973 /nfs/dbraw/zinc/95/59/73/483955973.db2.gz LMGDLJMNFNJRPJ-UONOGXRCSA-N 0 3 368.478 -0.319 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000561998936 483957028 /nfs/dbraw/zinc/95/70/28/483957028.db2.gz LMGDLJMNFNJRPJ-ZIAGYGMSSA-N 0 3 368.478 -0.319 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000562001980 483956788 /nfs/dbraw/zinc/95/67/88/483956788.db2.gz RZOQIVLRDJLSNR-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000562001981 483955703 /nfs/dbraw/zinc/95/57/03/483955703.db2.gz RZOQIVLRDJLSNR-OLZOCXBDSA-N 0 3 360.480 -0.921 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000562001982 483956338 /nfs/dbraw/zinc/95/63/38/483956338.db2.gz RZOQIVLRDJLSNR-QWHCGFSZSA-N 0 3 360.480 -0.921 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000562001983 483955728 /nfs/dbraw/zinc/95/57/28/483955728.db2.gz RZOQIVLRDJLSNR-STQMWFEESA-N 0 3 360.480 -0.921 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CCN1C ZINC000562009085 483957949 /nfs/dbraw/zinc/95/79/49/483957949.db2.gz HCVXVKZMVAREGG-ILXRZTDVSA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CCN1C ZINC000562009086 483959669 /nfs/dbraw/zinc/95/96/69/483959669.db2.gz HCVXVKZMVAREGG-KFWWJZLASA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CCN1C ZINC000562009087 483958469 /nfs/dbraw/zinc/95/84/69/483958469.db2.gz HCVXVKZMVAREGG-QLFBSQMISA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CCN1C ZINC000562009088 483957904 /nfs/dbraw/zinc/95/79/04/483957904.db2.gz HCVXVKZMVAREGG-RBSFLKMASA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000562010097 483959955 /nfs/dbraw/zinc/95/99/55/483959955.db2.gz FGVPCBGIDLMVJO-BZUAXINKSA-N 0 3 353.511 -0.273 20 0 FBADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000562010098 483959601 /nfs/dbraw/zinc/95/96/01/483959601.db2.gz FGVPCBGIDLMVJO-OAGGEKHMSA-N 0 3 353.511 -0.273 20 0 FBADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000562010099 483959826 /nfs/dbraw/zinc/95/98/26/483959826.db2.gz FGVPCBGIDLMVJO-OWCLPIDISA-N 0 3 353.511 -0.273 20 0 FBADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000562010100 483959072 /nfs/dbraw/zinc/95/90/72/483959072.db2.gz FGVPCBGIDLMVJO-XHSDSOJGSA-N 0 3 353.511 -0.273 20 0 FBADHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000562010103 483960071 /nfs/dbraw/zinc/96/00/71/483960071.db2.gz FPMFXAYQOZCXGZ-DLBZAZTESA-N 0 3 367.538 -0.025 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000562010104 483959290 /nfs/dbraw/zinc/95/92/90/483959290.db2.gz FPMFXAYQOZCXGZ-IAGOWNOFSA-N 0 3 367.538 -0.025 20 0 FBADHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000562010105 483958989 /nfs/dbraw/zinc/95/89/89/483958989.db2.gz FPMFXAYQOZCXGZ-IRXDYDNUSA-N 0 3 367.538 -0.025 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000562010106 483960018 /nfs/dbraw/zinc/96/00/18/483960018.db2.gz FPMFXAYQOZCXGZ-SJORKVTESA-N 0 3 367.538 -0.025 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000562011522 483959888 /nfs/dbraw/zinc/95/98/88/483959888.db2.gz ZBRNDEAKNIVQSW-CABCVRRESA-N 0 3 353.511 -0.415 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000562011523 483958615 /nfs/dbraw/zinc/95/86/15/483958615.db2.gz ZBRNDEAKNIVQSW-GJZGRUSLSA-N 0 3 353.511 -0.415 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000562011524 483958949 /nfs/dbraw/zinc/95/89/49/483958949.db2.gz ZBRNDEAKNIVQSW-HUUCEWRRSA-N 0 3 353.511 -0.415 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000562011525 483957845 /nfs/dbraw/zinc/95/78/45/483957845.db2.gz ZBRNDEAKNIVQSW-LSDHHAIUSA-N 0 3 353.511 -0.415 20 0 FBADHN COCCN(C)S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000562013695 483961924 /nfs/dbraw/zinc/96/19/24/483961924.db2.gz TYIZEDKIVNEEPV-UHFFFAOYSA-N 0 3 350.485 -0.801 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 ZINC000562029742 483964100 /nfs/dbraw/zinc/96/41/00/483964100.db2.gz NZDJSKOGSRGTSS-RUZDIDTESA-N 0 3 373.519 -0.027 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1 ZINC000562029743 483963204 /nfs/dbraw/zinc/96/32/04/483963204.db2.gz NZDJSKOGSRGTSS-VWLOTQADSA-N 0 3 373.519 -0.027 20 0 FBADHN COC(=O)[C@@H](NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000562033803 483966180 /nfs/dbraw/zinc/96/61/80/483966180.db2.gz FBUMQCBRDAJCCA-KRWDZBQOSA-N 0 3 368.478 -0.460 20 0 FBADHN COC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000562033871 483963364 /nfs/dbraw/zinc/96/33/64/483963364.db2.gz HJRMFDMYZOWMKE-HOCLYGCPSA-N 0 3 368.478 -0.461 20 0 FBADHN COC(=O)[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000562033872 483963600 /nfs/dbraw/zinc/96/36/00/483963600.db2.gz HJRMFDMYZOWMKE-ZBFHGGJFSA-N 0 3 368.478 -0.461 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000562157327 483978104 /nfs/dbraw/zinc/97/81/04/483978104.db2.gz PYSRJJBPJGHQTI-UHFFFAOYSA-N 0 3 356.467 -0.554 20 0 FBADHN CC1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000562159582 483980052 /nfs/dbraw/zinc/98/00/52/483980052.db2.gz GFIJOWKZJOQTDW-UHFFFAOYSA-N 0 3 354.495 -0.249 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000562181240 483979213 /nfs/dbraw/zinc/97/92/13/483979213.db2.gz DULDKFDYTSVPMA-UHFFFAOYSA-N 0 3 369.510 -0.449 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)O1 ZINC000562183182 483979510 /nfs/dbraw/zinc/97/95/10/483979510.db2.gz XFOMPVPLTVGXOJ-LSDHHAIUSA-N 0 3 368.478 -0.269 20 0 FBADHN Cc1cc(O)cc(=O)n1CC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000562183987 483981875 /nfs/dbraw/zinc/98/18/75/483981875.db2.gz IAAHGMJSNFAXTG-UHFFFAOYSA-N 0 3 364.446 -0.029 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000562194910 483981408 /nfs/dbraw/zinc/98/14/08/483981408.db2.gz WGSMGNNWHZFSSY-CVEARBPZSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000562194912 483982623 /nfs/dbraw/zinc/98/26/23/483982623.db2.gz WGSMGNNWHZFSSY-HOTGVXAUSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000562194913 483981779 /nfs/dbraw/zinc/98/17/79/483981779.db2.gz WGSMGNNWHZFSSY-HZPDHXFCSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000562194914 483981352 /nfs/dbraw/zinc/98/13/52/483981352.db2.gz WGSMGNNWHZFSSY-JKSUJKDBSA-N 0 3 368.478 -0.269 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)O1 ZINC000562195063 483982392 /nfs/dbraw/zinc/98/23/92/483982392.db2.gz RPPTVMSRSMDOQJ-UONOGXRCSA-N 0 3 355.435 -0.185 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)n1 ZINC000562197925 484105831 /nfs/dbraw/zinc/10/58/31/484105831.db2.gz FLFGYPNVGXRLEK-UHFFFAOYSA-N 0 3 372.495 0.238 20 0 FBADHN CN(C)CCn1ccc(NC(=O)NCc2ccccc2S(N)(=O)=O)n1 ZINC000562200910 484106401 /nfs/dbraw/zinc/10/64/01/484106401.db2.gz SNQWFHFQHCRHBK-UHFFFAOYSA-N 0 3 366.447 0.414 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000562205696 483984754 /nfs/dbraw/zinc/98/47/54/483984754.db2.gz CPQLLDJWZVPTLP-AWEZNQCLSA-N 0 3 350.467 -0.665 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000562205699 483984773 /nfs/dbraw/zinc/98/47/73/483984773.db2.gz CPQLLDJWZVPTLP-CQSZACIVSA-N 0 3 350.467 -0.665 20 0 FBADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000562246966 483986731 /nfs/dbraw/zinc/98/67/31/483986731.db2.gz SIMMUIVHCZBLOR-GOSISDBHSA-N 0 3 362.430 -0.134 20 0 FBADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000562246967 483986868 /nfs/dbraw/zinc/98/68/68/483986868.db2.gz SIMMUIVHCZBLOR-SFHVURJKSA-N 0 3 362.430 -0.134 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1=O ZINC000562297912 483992484 /nfs/dbraw/zinc/99/24/84/483992484.db2.gz UCOVFLBLPDURHY-GFCCVEGCSA-N 0 3 362.496 -0.769 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1=O ZINC000562297913 483992516 /nfs/dbraw/zinc/99/25/16/483992516.db2.gz UCOVFLBLPDURHY-LBPRGKRZSA-N 0 3 362.496 -0.769 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000562302482 483994122 /nfs/dbraw/zinc/99/41/22/483994122.db2.gz MNYOEQMXQJTMTC-ZDUSSCGKSA-N 0 3 374.445 -0.158 20 0 FBADHN Cc1nc(NCCNC(=O)N(C)C)cc(NCCNC(=O)N(C)C)n1 ZINC000562356586 484460691 /nfs/dbraw/zinc/46/06/91/484460691.db2.gz OWTQEGSXJJPVQW-UHFFFAOYSA-N 0 3 352.443 0.151 20 0 FBADHN O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000562377939 483998750 /nfs/dbraw/zinc/99/87/50/483998750.db2.gz OJFAIJFBYZOQIJ-INIZCTEOSA-N 0 3 367.471 -0.078 20 0 FBADHN O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000562377940 483997691 /nfs/dbraw/zinc/99/76/91/483997691.db2.gz OJFAIJFBYZOQIJ-MRXNPFEDSA-N 0 3 367.471 -0.078 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC000562398319 483999707 /nfs/dbraw/zinc/99/97/07/483999707.db2.gz WJUHUGGNXJXBCS-UHFFFAOYSA-N 0 3 359.430 -0.312 20 0 FBADHN CCN1CCN(C(=O)NCC(=O)NCCN2CCCCCC2)CC1=O ZINC000562409609 484001666 /nfs/dbraw/zinc/00/16/66/484001666.db2.gz CCMUDRFLJCWNPW-UHFFFAOYSA-N 0 3 353.467 -0.148 20 0 FBADHN CCC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000562497006 484316188 /nfs/dbraw/zinc/31/61/88/484316188.db2.gz VLFOFXMZJPYAPJ-KRWDZBQOSA-N 0 3 351.451 0.537 20 0 FBADHN CCC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000562497009 484318580 /nfs/dbraw/zinc/31/85/80/484318580.db2.gz VLFOFXMZJPYAPJ-QGZVFWFLSA-N 0 3 351.451 0.537 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)NCCN2CCN(C)C(C)(C)C2)cc1C ZINC000562518489 484178058 /nfs/dbraw/zinc/17/80/58/484178058.db2.gz ZJSOVAJGKQWECJ-UHFFFAOYSA-N 0 3 365.482 0.085 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000562532724 484009770 /nfs/dbraw/zinc/00/97/70/484009770.db2.gz OPFBTHYARSPBSO-CYBMUJFWSA-N 0 3 368.525 -0.918 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000562532725 484010189 /nfs/dbraw/zinc/01/01/89/484010189.db2.gz OPFBTHYARSPBSO-ZDUSSCGKSA-N 0 3 368.525 -0.918 20 0 FBADHN Cc1c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000562567964 484013670 /nfs/dbraw/zinc/01/36/70/484013670.db2.gz DOBFWTBDYYQLHA-YPMHNXCESA-N 0 3 357.414 -0.283 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](O)[C@H](OC)C1 ZINC000562579454 484013385 /nfs/dbraw/zinc/01/33/85/484013385.db2.gz NBULWCLXMVMWNS-UKRRQHHQSA-N 0 3 351.403 -0.087 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1c[nH]nc1-c1nccs1 ZINC000562583285 484014117 /nfs/dbraw/zinc/01/41/17/484014117.db2.gz NFBPVPSJMIOMSZ-UHFFFAOYSA-N 0 3 352.420 -0.098 20 0 FBADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000562599383 484013909 /nfs/dbraw/zinc/01/39/09/484013909.db2.gz AHYNCJFMYGZBSE-RRFJBIMHSA-N 0 3 373.523 -0.007 20 0 FBADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000562599387 484012951 /nfs/dbraw/zinc/01/29/51/484012951.db2.gz AHYNCJFMYGZBSE-SOUVJXGZSA-N 0 3 373.523 -0.007 20 0 FBADHN COc1cc(NC(=O)NCC(=O)NCCN2CCCCCC2)nn1C ZINC000562605537 484416613 /nfs/dbraw/zinc/41/66/13/484416613.db2.gz JIAAAZGIDYAIBD-UHFFFAOYSA-N 0 3 352.439 0.542 20 0 FBADHN CC(C)[C@@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)N1CCN(C)CC1 ZINC000562659099 484017278 /nfs/dbraw/zinc/01/72/78/484017278.db2.gz DVLLCDJFKWMFBL-DLBZAZTESA-N 0 3 355.527 -0.034 20 0 FBADHN CC(C)[C@@H](CNC(=O)N1CCN(CCO)C[C@H]1C)N1CCN(C)CC1 ZINC000562659105 484017994 /nfs/dbraw/zinc/01/79/94/484017994.db2.gz DVLLCDJFKWMFBL-IAGOWNOFSA-N 0 3 355.527 -0.034 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)N1CCN(C)CC1 ZINC000562659108 484018080 /nfs/dbraw/zinc/01/80/80/484018080.db2.gz DVLLCDJFKWMFBL-IRXDYDNUSA-N 0 3 355.527 -0.034 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN(CCO)C[C@H]1C)N1CCN(C)CC1 ZINC000562659110 484016901 /nfs/dbraw/zinc/01/69/01/484016901.db2.gz DVLLCDJFKWMFBL-SJORKVTESA-N 0 3 355.527 -0.034 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccnc3)C[C@@H]21 ZINC000562666816 484018439 /nfs/dbraw/zinc/01/84/39/484018439.db2.gz SEVAYLAIGBIZMN-OCCSQVGLSA-N 0 3 353.448 -0.295 20 0 FBADHN CN(C)C1(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)Cc2ccccc2C1 ZINC000562669275 484018574 /nfs/dbraw/zinc/01/85/74/484018574.db2.gz YRGFGALGUXSBNJ-UHFFFAOYSA-N 0 3 373.457 -0.575 20 0 FBADHN COc1nccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000562669854 484018047 /nfs/dbraw/zinc/01/80/47/484018047.db2.gz TZKPINXSPSUZPR-AWEZNQCLSA-N 0 3 362.434 -0.067 20 0 FBADHN COc1nccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000562669855 484018184 /nfs/dbraw/zinc/01/81/84/484018184.db2.gz TZKPINXSPSUZPR-CQSZACIVSA-N 0 3 362.434 -0.067 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000562689614 484018163 /nfs/dbraw/zinc/01/81/63/484018163.db2.gz FOFSHJCJUPLDKR-AWEZNQCLSA-N 0 3 372.491 -0.823 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000562689615 484018616 /nfs/dbraw/zinc/01/86/16/484018616.db2.gz FOFSHJCJUPLDKR-CQSZACIVSA-N 0 3 372.491 -0.823 20 0 FBADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000562693105 484019973 /nfs/dbraw/zinc/01/99/73/484019973.db2.gz CGRUVEDTIYPZSK-UHFFFAOYSA-N 0 3 374.507 -0.577 20 0 FBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000562693273 484021029 /nfs/dbraw/zinc/02/10/29/484021029.db2.gz AUTQPPCCNRLIHQ-AWEZNQCLSA-N 0 3 365.478 -0.909 20 0 FBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000562693274 484020044 /nfs/dbraw/zinc/02/00/44/484020044.db2.gz AUTQPPCCNRLIHQ-CQSZACIVSA-N 0 3 365.478 -0.909 20 0 FBADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000562693303 484020429 /nfs/dbraw/zinc/02/04/29/484020429.db2.gz GOEVTMCVEMLIFC-CABCVRRESA-N 0 3 363.462 -0.254 20 0 FBADHN O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000562693304 484020682 /nfs/dbraw/zinc/02/06/82/484020682.db2.gz GOEVTMCVEMLIFC-GJZGRUSLSA-N 0 3 363.462 -0.254 20 0 FBADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000562693305 484020988 /nfs/dbraw/zinc/02/09/88/484020988.db2.gz GOEVTMCVEMLIFC-HUUCEWRRSA-N 0 3 363.462 -0.254 20 0 FBADHN O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000562693306 484019931 /nfs/dbraw/zinc/01/99/31/484019931.db2.gz GOEVTMCVEMLIFC-LSDHHAIUSA-N 0 3 363.462 -0.254 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H](C)N1CCO ZINC000562693427 484021066 /nfs/dbraw/zinc/02/10/66/484021066.db2.gz ZACSOGZHMSKADN-OWCLPIDISA-N 0 3 352.479 -0.403 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H](C)N1CCO ZINC000562693428 484020132 /nfs/dbraw/zinc/02/01/32/484020132.db2.gz ZACSOGZHMSKADN-XHSDSOJGSA-N 0 3 352.479 -0.403 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000562696918 484020626 /nfs/dbraw/zinc/02/06/26/484020626.db2.gz RTWFINLTJBNMSK-CVEARBPZSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000562696925 484020341 /nfs/dbraw/zinc/02/03/41/484020341.db2.gz RTWFINLTJBNMSK-HOTGVXAUSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000562696927 484019590 /nfs/dbraw/zinc/01/95/90/484019590.db2.gz RTWFINLTJBNMSK-HZPDHXFCSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000562696929 484020387 /nfs/dbraw/zinc/02/03/87/484020387.db2.gz RTWFINLTJBNMSK-JKSUJKDBSA-N 0 3 366.506 -0.013 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000562728324 484022713 /nfs/dbraw/zinc/02/27/13/484022713.db2.gz LHMHXKTUDOSBNG-GFCCVEGCSA-N 0 3 358.464 -0.158 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000562728330 484021873 /nfs/dbraw/zinc/02/18/73/484021873.db2.gz LHMHXKTUDOSBNG-LBPRGKRZSA-N 0 3 358.464 -0.158 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)Nc2cccc3c2CCNC3)CC1=O ZINC000562751858 484024576 /nfs/dbraw/zinc/02/45/76/484024576.db2.gz LONCNWJOCCUWNQ-UHFFFAOYSA-N 0 3 374.441 -0.022 20 0 FBADHN O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)NC1CNC1 ZINC000562757838 484021838 /nfs/dbraw/zinc/02/18/38/484021838.db2.gz CXQVTSSNRFYGNZ-UHFFFAOYSA-N 0 3 366.443 -0.112 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccccn2)CC1 ZINC000562771738 484024318 /nfs/dbraw/zinc/02/43/18/484024318.db2.gz JCPBMPSNFLZSKF-HNNXBMFYSA-N 0 3 359.430 -0.537 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccccn2)CC1 ZINC000562771750 484024925 /nfs/dbraw/zinc/02/49/25/484024925.db2.gz JCPBMPSNFLZSKF-OAHLLOKOSA-N 0 3 359.430 -0.537 20 0 FBADHN CN1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@H](CN)C1 ZINC000562794345 484027365 /nfs/dbraw/zinc/02/73/65/484027365.db2.gz OGNABJKYUUMWQV-CYBMUJFWSA-N 0 3 366.466 -0.475 20 0 FBADHN CN1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](CN)C1 ZINC000562794346 484029566 /nfs/dbraw/zinc/02/95/66/484029566.db2.gz OGNABJKYUUMWQV-ZDUSSCGKSA-N 0 3 366.466 -0.475 20 0 FBADHN O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NC[C@@H]1CNCCO1 ZINC000562797190 484027321 /nfs/dbraw/zinc/02/73/21/484027321.db2.gz VSPGUGQNFKYZCY-INIZCTEOSA-N 0 3 361.446 -0.377 20 0 FBADHN O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NC[C@H]1CNCCO1 ZINC000562797191 484026232 /nfs/dbraw/zinc/02/62/32/484026232.db2.gz VSPGUGQNFKYZCY-MRXNPFEDSA-N 0 3 361.446 -0.377 20 0 FBADHN O=C(NCCN1CCc2sccc2C1)NCC(=O)N1CCNCC1 ZINC000562803956 484028355 /nfs/dbraw/zinc/02/83/55/484028355.db2.gz VALSASRIARFSTO-UHFFFAOYSA-N 0 3 351.476 -0.163 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000562806047 484028879 /nfs/dbraw/zinc/02/88/79/484028879.db2.gz KXIMELSPUBGXOM-AWEZNQCLSA-N 0 3 369.491 -0.279 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000562806048 484029085 /nfs/dbraw/zinc/02/90/85/484029085.db2.gz KXIMELSPUBGXOM-CQSZACIVSA-N 0 3 369.491 -0.279 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCOC3(CNC3)C2)s1 ZINC000562807328 484029826 /nfs/dbraw/zinc/02/98/26/484029826.db2.gz IIJNECQPNIXXOR-UHFFFAOYSA-N 0 3 374.488 -0.281 20 0 FBADHN CN(CCNC(=O)NC[C@H]1CNCCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000562812759 484028753 /nfs/dbraw/zinc/02/87/53/484028753.db2.gz KOTUSZJIYYAFTO-CYBMUJFWSA-N 0 3 374.438 -0.266 20 0 FBADHN CN(CCNC(=O)NC[C@@H]1CNCCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000562812760 484028539 /nfs/dbraw/zinc/02/85/39/484028539.db2.gz KOTUSZJIYYAFTO-ZDUSSCGKSA-N 0 3 374.438 -0.266 20 0 FBADHN O=C(NCCN1CC[NH2+]CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000562814078 484029679 /nfs/dbraw/zinc/02/96/79/484029679.db2.gz DQYWXGBMBWJPJH-UHFFFAOYSA-N 0 3 361.446 -0.235 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)N1CCc2ccccc21 ZINC000562822501 484030827 /nfs/dbraw/zinc/03/08/27/484030827.db2.gz JEHDBDWLDVZKTH-GDBMZVCRSA-N 0 3 359.474 -0.345 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)N1CCc2ccccc21 ZINC000562822502 484031867 /nfs/dbraw/zinc/03/18/67/484031867.db2.gz JEHDBDWLDVZKTH-GOEBONIOSA-N 0 3 359.474 -0.345 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)N1CCc2ccccc21 ZINC000562822503 484030997 /nfs/dbraw/zinc/03/09/97/484030997.db2.gz JEHDBDWLDVZKTH-HOCLYGCPSA-N 0 3 359.474 -0.345 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)N1CCc2ccccc21 ZINC000562822504 484030757 /nfs/dbraw/zinc/03/07/57/484030757.db2.gz JEHDBDWLDVZKTH-ZBFHGGJFSA-N 0 3 359.474 -0.345 20 0 FBADHN Cn1nc(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c2ccccc21 ZINC000562822534 484032229 /nfs/dbraw/zinc/03/22/29/484032229.db2.gz PBTSQBVZZZUBKU-CYBMUJFWSA-N 0 3 358.446 -0.667 20 0 FBADHN Cn1nc(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c2ccccc21 ZINC000562822535 484030530 /nfs/dbraw/zinc/03/05/30/484030530.db2.gz PBTSQBVZZZUBKU-ZDUSSCGKSA-N 0 3 358.446 -0.667 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC1CNC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000562822552 484030661 /nfs/dbraw/zinc/03/06/61/484030661.db2.gz RVSYKMRRFXNKDQ-GFCCVEGCSA-N 0 3 363.437 -0.157 20 0 FBADHN C[C@H](NC(=O)C(=O)NC1CNC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000562822554 484031080 /nfs/dbraw/zinc/03/10/80/484031080.db2.gz RVSYKMRRFXNKDQ-LBPRGKRZSA-N 0 3 363.437 -0.157 20 0 FBADHN COc1ccc(OCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000562823017 484032263 /nfs/dbraw/zinc/03/22/63/484032263.db2.gz FPZKYUDRKDFRNJ-AWEZNQCLSA-N 0 3 364.446 -0.318 20 0 FBADHN COc1ccc(OCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000562823018 484031113 /nfs/dbraw/zinc/03/11/13/484031113.db2.gz FPZKYUDRKDFRNJ-CQSZACIVSA-N 0 3 364.446 -0.318 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562823640 484031330 /nfs/dbraw/zinc/03/13/30/484031330.db2.gz WLUHQCVJZDDWPU-CABCVRRESA-N 0 3 356.467 -0.902 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562823644 484031058 /nfs/dbraw/zinc/03/10/58/484031058.db2.gz WLUHQCVJZDDWPU-GJZGRUSLSA-N 0 3 356.467 -0.902 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000562823645 484031510 /nfs/dbraw/zinc/03/15/10/484031510.db2.gz WLUHQCVJZDDWPU-HUUCEWRRSA-N 0 3 356.467 -0.902 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000562823646 484031254 /nfs/dbraw/zinc/03/12/54/484031254.db2.gz WLUHQCVJZDDWPU-LSDHHAIUSA-N 0 3 356.467 -0.902 20 0 FBADHN CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)o1 ZINC000562824455 484031760 /nfs/dbraw/zinc/03/17/60/484031760.db2.gz LMLMHQFLHBDBAF-GXTWGEPZSA-N 0 3 352.435 -0.253 20 0 FBADHN CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)o1 ZINC000562824456 484031420 /nfs/dbraw/zinc/03/14/20/484031420.db2.gz LMLMHQFLHBDBAF-JSGCOSHPSA-N 0 3 352.435 -0.253 20 0 FBADHN CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)o1 ZINC000562824457 484031358 /nfs/dbraw/zinc/03/13/58/484031358.db2.gz LMLMHQFLHBDBAF-OCCSQVGLSA-N 0 3 352.435 -0.253 20 0 FBADHN CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)o1 ZINC000562824458 484031379 /nfs/dbraw/zinc/03/13/79/484031379.db2.gz LMLMHQFLHBDBAF-TZMCWYRMSA-N 0 3 352.435 -0.253 20 0 FBADHN COCC[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(C)o1 ZINC000562825433 484031442 /nfs/dbraw/zinc/03/14/42/484031442.db2.gz RKDYKBVOPNDVKQ-KBPBESRZSA-N 0 3 352.435 -0.117 20 0 FBADHN COCC[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(C)o1 ZINC000562825435 484031093 /nfs/dbraw/zinc/03/10/93/484031093.db2.gz RKDYKBVOPNDVKQ-KGLIPLIRSA-N 0 3 352.435 -0.117 20 0 FBADHN COCC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(C)o1 ZINC000562825436 484030881 /nfs/dbraw/zinc/03/08/81/484030881.db2.gz RKDYKBVOPNDVKQ-UONOGXRCSA-N 0 3 352.435 -0.117 20 0 FBADHN COCC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(C)o1 ZINC000562825437 484031271 /nfs/dbraw/zinc/03/12/71/484031271.db2.gz RKDYKBVOPNDVKQ-ZIAGYGMSSA-N 0 3 352.435 -0.117 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCc2nc3ccccc3[nH]2)[C@H](CN)C1 ZINC000562825562 484030932 /nfs/dbraw/zinc/03/09/32/484030932.db2.gz LGXYCYORGLHOGQ-CYBMUJFWSA-N 0 3 358.446 -0.287 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCc2nc3ccccc3[nH]2)[C@@H](CN)C1 ZINC000562825565 484031010 /nfs/dbraw/zinc/03/10/10/484031010.db2.gz LGXYCYORGLHOGQ-ZDUSSCGKSA-N 0 3 358.446 -0.287 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cc(Cl)cc3c2OCC3)[C@@H](CN)C1 ZINC000562825570 484031040 /nfs/dbraw/zinc/03/10/40/484031040.db2.gz ADWYFQLTIAJOMN-AWEZNQCLSA-N 0 3 366.849 -0.008 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cc(Cl)cc3c2OCC3)[C@H](CN)C1 ZINC000562825572 484031466 /nfs/dbraw/zinc/03/14/66/484031466.db2.gz ADWYFQLTIAJOMN-CQSZACIVSA-N 0 3 366.849 -0.008 20 0 FBADHN O=C(CNC(=O)C(=O)NC1CNC1)N1CCC(Cc2ccccc2)CC1 ZINC000562825751 484031165 /nfs/dbraw/zinc/03/11/65/484031165.db2.gz IGRFZDKUPYJILV-UHFFFAOYSA-N 0 3 358.442 -0.328 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000562827632 484031126 /nfs/dbraw/zinc/03/11/26/484031126.db2.gz LTBLJXBGDMTUGG-UHFFFAOYSA-N 0 3 368.796 -0.149 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000562827723 484030634 /nfs/dbraw/zinc/03/06/34/484030634.db2.gz XXMAWMMQJVRTRR-UHFFFAOYSA-N 0 3 350.806 -0.288 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCNC(=O)c2ccccc2)[C@@H](CN)C1 ZINC000562828072 484033612 /nfs/dbraw/zinc/03/36/12/484033612.db2.gz SZRITFUJMSNGNJ-HNNXBMFYSA-N 0 3 361.446 -0.976 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCNC(=O)c2ccccc2)[C@H](CN)C1 ZINC000562828073 484032809 /nfs/dbraw/zinc/03/28/09/484032809.db2.gz SZRITFUJMSNGNJ-OAHLLOKOSA-N 0 3 361.446 -0.976 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000562828300 484031023 /nfs/dbraw/zinc/03/10/23/484031023.db2.gz GDSUDOXODLVUDN-QGZVFWFLSA-N 0 3 359.474 -0.126 20 0 FBADHN O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)N1CCCNCC1 ZINC000562828350 484030723 /nfs/dbraw/zinc/03/07/23/484030723.db2.gz LAZAHUMRLRVOBG-UHFFFAOYSA-N 0 3 359.474 -0.253 20 0 FBADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000562829281 484033278 /nfs/dbraw/zinc/03/32/78/484033278.db2.gz JWSCRDSDLCBIOU-AWEZNQCLSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000562829282 484033995 /nfs/dbraw/zinc/03/39/95/484033995.db2.gz JWSCRDSDLCBIOU-CQSZACIVSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000562832899 484033932 /nfs/dbraw/zinc/03/39/32/484033932.db2.gz NAPMFCROXNYGAM-UHFFFAOYSA-N 0 3 350.410 -0.785 20 0 FBADHN CN(C)CCn1ccc(NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000562877722 484107433 /nfs/dbraw/zinc/10/74/33/484107433.db2.gz AIBOKCZGSGUSRN-CYBMUJFWSA-N 0 3 372.495 0.380 20 0 FBADHN CN(C)CCn1ccc(NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000562877723 484106416 /nfs/dbraw/zinc/10/64/16/484106416.db2.gz AIBOKCZGSGUSRN-ZDUSSCGKSA-N 0 3 372.495 0.380 20 0 FBADHN COc1nccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000562883645 484039995 /nfs/dbraw/zinc/03/99/95/484039995.db2.gz MZGDJSSBBUCQKY-UHFFFAOYSA-N 0 3 362.434 -0.065 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000562905620 484041994 /nfs/dbraw/zinc/04/19/94/484041994.db2.gz IHENCTPXWYBERP-CAOSSQGBSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC1 ZINC000562905623 484040623 /nfs/dbraw/zinc/04/06/23/484040623.db2.gz IHENCTPXWYBERP-KLHDSHLOSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1 ZINC000562905625 484041285 /nfs/dbraw/zinc/04/12/85/484041285.db2.gz IHENCTPXWYBERP-QKPAOTATSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CC1 ZINC000562905626 484040850 /nfs/dbraw/zinc/04/08/50/484040850.db2.gz IHENCTPXWYBERP-ZJIFWQFVSA-N 0 3 351.447 -0.197 20 0 FBADHN C[C@@H]1CN(C(=O)NCC(=O)NCCN2CCCCCC2)C[C@@H](C(N)=O)O1 ZINC000562927450 484057530 /nfs/dbraw/zinc/05/75/30/484057530.db2.gz MIMSYKPUJKIQJB-KGLIPLIRSA-N 0 3 369.466 -0.737 20 0 FBADHN C[C@@H]1CN(C(=O)NCC(=O)NCCN2CCCCCC2)C[C@H](C(N)=O)O1 ZINC000562927454 484056981 /nfs/dbraw/zinc/05/69/81/484056981.db2.gz MIMSYKPUJKIQJB-ZIAGYGMSSA-N 0 3 369.466 -0.737 20 0 FBADHN O=C(CCN1CCN(c2ccccc2)CC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000562934117 484060617 /nfs/dbraw/zinc/06/06/17/484060617.db2.gz TVWWQBOLAJZDMW-IYBDPMFKSA-N 0 3 356.426 -0.070 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000562946955 484063906 /nfs/dbraw/zinc/06/39/06/484063906.db2.gz ZTCWIACOPKCHCO-GFCCVEGCSA-N 0 3 362.434 -0.624 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000562946956 484063168 /nfs/dbraw/zinc/06/31/68/484063168.db2.gz ZTCWIACOPKCHCO-LBPRGKRZSA-N 0 3 362.434 -0.624 20 0 FBADHN CN1CCC(CNC(=O)C(=O)N2CCC2(C)C)(N2CCOCC2)CC1 ZINC000562953371 484066100 /nfs/dbraw/zinc/06/61/00/484066100.db2.gz UGAIDNLENBWSRB-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000562961627 484069199 /nfs/dbraw/zinc/06/91/99/484069199.db2.gz FXKABZSMHNNRBN-INIZCTEOSA-N 0 3 359.474 -0.255 20 0 FBADHN Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000562961628 484070401 /nfs/dbraw/zinc/07/04/01/484070401.db2.gz FXKABZSMHNNRBN-MRXNPFEDSA-N 0 3 359.474 -0.255 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000562961629 484068614 /nfs/dbraw/zinc/06/86/14/484068614.db2.gz GDIUFLZQEMWHKQ-MSOLQXFVSA-N 0 3 373.501 -0.527 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000562961630 484068961 /nfs/dbraw/zinc/06/89/61/484068961.db2.gz GDIUFLZQEMWHKQ-QZTJIDSGSA-N 0 3 373.501 -0.527 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000562961631 484069487 /nfs/dbraw/zinc/06/94/87/484069487.db2.gz GDIUFLZQEMWHKQ-ROUUACIJSA-N 0 3 373.501 -0.527 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000562961632 484069917 /nfs/dbraw/zinc/06/99/17/484069917.db2.gz GDIUFLZQEMWHKQ-ZWKOTPCHSA-N 0 3 373.501 -0.527 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCN1CC(F)F ZINC000562961699 484068819 /nfs/dbraw/zinc/06/88/19/484068819.db2.gz QMAWVDVYTLLEEF-CHWSQXEVSA-N 0 3 361.437 -0.724 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCN1CC(F)F ZINC000562961700 484068932 /nfs/dbraw/zinc/06/89/32/484068932.db2.gz QMAWVDVYTLLEEF-OLZOCXBDSA-N 0 3 361.437 -0.724 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCN1CC(F)F ZINC000562961701 484070314 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FBADHN C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)NCCN(C)C ZINC000563405025 484085032 /nfs/dbraw/zinc/08/50/32/484085032.db2.gz YESFVRJAEVLGAE-SECBINFHSA-N 0 3 362.477 -0.880 20 0 FBADHN C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)NCCN(C)C ZINC000563405026 484085483 /nfs/dbraw/zinc/08/54/83/484085483.db2.gz YESFVRJAEVLGAE-VIFPVBQESA-N 0 3 362.477 -0.880 20 0 FBADHN CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)CN(C)CCOC)C1=O ZINC000563424412 484099567 /nfs/dbraw/zinc/09/95/67/484099567.db2.gz QQSQJZMOEUCCPN-BBRMVZONSA-N 0 3 353.423 -0.484 20 0 FBADHN CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)CN(C)CCOC)C1=O ZINC000563424413 484099269 /nfs/dbraw/zinc/09/92/69/484099269.db2.gz QQSQJZMOEUCCPN-CJNGLKHVSA-N 0 3 353.423 -0.484 20 0 FBADHN CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)CN(C)CCOC)C1=O ZINC000563424414 484097983 /nfs/dbraw/zinc/09/79/83/484097983.db2.gz QQSQJZMOEUCCPN-CZUORRHYSA-N 0 3 353.423 -0.484 20 0 FBADHN CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)CN(C)CCOC)C1=O ZINC000563424415 484099391 /nfs/dbraw/zinc/09/93/91/484099391.db2.gz QQSQJZMOEUCCPN-XJKSGUPXSA-N 0 3 353.423 -0.484 20 0 FBADHN N[C@@H]1C[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CCN2C1=O ZINC000563430016 484093716 /nfs/dbraw/zinc/09/37/16/484093716.db2.gz BZEZKUTVDDVJGM-GXTWGEPZSA-N 0 3 365.459 -0.386 20 0 FBADHN N[C@H]1C[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CCN2C1=O ZINC000563430017 484093971 /nfs/dbraw/zinc/09/39/71/484093971.db2.gz BZEZKUTVDDVJGM-JSGCOSHPSA-N 0 3 365.459 -0.386 20 0 FBADHN N[C@H]1C[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CCN2C1=O ZINC000563430018 484092898 /nfs/dbraw/zinc/09/28/98/484092898.db2.gz BZEZKUTVDDVJGM-OCCSQVGLSA-N 0 3 365.459 -0.386 20 0 FBADHN N[C@@H]1C[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CCN2C1=O ZINC000563430019 484093660 /nfs/dbraw/zinc/09/36/60/484093660.db2.gz BZEZKUTVDDVJGM-TZMCWYRMSA-N 0 3 365.459 -0.386 20 0 FBADHN N[C@@H]1C[C@@H]2CN(c3ccc(C(=O)Nc4nncs4)cn3)CCN2C1=O ZINC000563430577 484093917 /nfs/dbraw/zinc/09/39/17/484093917.db2.gz JKOGNCSQLZNXKV-GHMZBOCLSA-N 0 3 359.415 -0.066 20 0 FBADHN N[C@H]1C[C@@H]2CN(c3ccc(C(=O)Nc4nncs4)cn3)CCN2C1=O ZINC000563431155 484093121 /nfs/dbraw/zinc/09/31/21/484093121.db2.gz JKOGNCSQLZNXKV-MNOVXSKESA-N 0 3 359.415 -0.066 20 0 FBADHN N[C@H]1C[C@H]2CN(c3ccc(C(=O)Nc4nncs4)cn3)CCN2C1=O ZINC000563431156 484093858 /nfs/dbraw/zinc/09/38/58/484093858.db2.gz JKOGNCSQLZNXKV-QWRGUYRKSA-N 0 3 359.415 -0.066 20 0 FBADHN N[C@@H]1C[C@H]2CN(c3ccc(C(=O)Nc4nncs4)cn3)CCN2C1=O ZINC000563431157 484093290 /nfs/dbraw/zinc/09/32/90/484093290.db2.gz JKOGNCSQLZNXKV-WDEREUQCSA-N 0 3 359.415 -0.066 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000563435992 484096592 /nfs/dbraw/zinc/09/65/92/484096592.db2.gz DHZBRMMFZDLIEL-CYBMUJFWSA-N 0 3 355.526 -0.035 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000563435993 484096861 /nfs/dbraw/zinc/09/68/61/484096861.db2.gz DHZBRMMFZDLIEL-ZDUSSCGKSA-N 0 3 355.526 -0.035 20 0 FBADHN N[C@@H]1C[C@H]2CN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CCN2C1=O ZINC000563438409 484096735 /nfs/dbraw/zinc/09/67/35/484096735.db2.gz DEAAPSKVATUDPI-GXTWGEPZSA-N 0 3 368.459 -0.192 20 0 FBADHN N[C@H]1C[C@H]2CN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CCN2C1=O ZINC000563438417 484096220 /nfs/dbraw/zinc/09/62/20/484096220.db2.gz DEAAPSKVATUDPI-JSGCOSHPSA-N 0 3 368.459 -0.192 20 0 FBADHN N[C@H]1C[C@@H]2CN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CCN2C1=O ZINC000563438419 484096814 /nfs/dbraw/zinc/09/68/14/484096814.db2.gz DEAAPSKVATUDPI-OCCSQVGLSA-N 0 3 368.459 -0.192 20 0 FBADHN N[C@@H]1C[C@@H]2CN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CCN2C1=O ZINC000563438420 484096319 /nfs/dbraw/zinc/09/63/19/484096319.db2.gz DEAAPSKVATUDPI-TZMCWYRMSA-N 0 3 368.459 -0.192 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CCN2C1=O ZINC000563439570 484098002 /nfs/dbraw/zinc/09/80/02/484098002.db2.gz GYQOBGDPFPUXPI-ARFHVFGLSA-N 0 3 356.426 -0.195 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCN2C1=O ZINC000563439571 484099446 /nfs/dbraw/zinc/09/94/46/484099446.db2.gz GYQOBGDPFPUXPI-BZUAXINKSA-N 0 3 356.426 -0.195 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CCN2C1=O ZINC000563439572 484099013 /nfs/dbraw/zinc/09/90/13/484099013.db2.gz GYQOBGDPFPUXPI-HRCADAONSA-N 0 3 356.426 -0.195 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCN2C1=O ZINC000563439573 484099482 /nfs/dbraw/zinc/09/94/82/484099482.db2.gz GYQOBGDPFPUXPI-OWCLPIDISA-N 0 3 356.426 -0.195 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000563440698 484098448 /nfs/dbraw/zinc/09/84/48/484098448.db2.gz JMZSRDQPLNMRLI-AAEUAGOBSA-N 0 3 353.400 -0.594 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000563440699 484098833 /nfs/dbraw/zinc/09/88/33/484098833.db2.gz JMZSRDQPLNMRLI-DGCLKSJQSA-N 0 3 353.400 -0.594 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000563440700 484098933 /nfs/dbraw/zinc/09/89/33/484098933.db2.gz JMZSRDQPLNMRLI-WCQYABFASA-N 0 3 353.400 -0.594 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000563440701 484098132 /nfs/dbraw/zinc/09/81/32/484098132.db2.gz JMZSRDQPLNMRLI-YPMHNXCESA-N 0 3 353.400 -0.594 20 0 FBADHN COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563440727 484099410 /nfs/dbraw/zinc/09/94/10/484099410.db2.gz JVUOGZPKMUKERO-AAEUAGOBSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563440728 484098201 /nfs/dbraw/zinc/09/82/01/484098201.db2.gz JVUOGZPKMUKERO-DGCLKSJQSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563440729 484097954 /nfs/dbraw/zinc/09/79/54/484097954.db2.gz JVUOGZPKMUKERO-WCQYABFASA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563440730 484098581 /nfs/dbraw/zinc/09/85/81/484098581.db2.gz JVUOGZPKMUKERO-YPMHNXCESA-N 0 3 367.427 -0.286 20 0 FBADHN CN1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc21 ZINC000563441223 484098642 /nfs/dbraw/zinc/09/86/42/484098642.db2.gz LHQHIBLJIALPML-GXTWGEPZSA-N 0 3 350.444 -0.389 20 0 FBADHN CN1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000563441224 484099647 /nfs/dbraw/zinc/09/96/47/484099647.db2.gz LHQHIBLJIALPML-JSGCOSHPSA-N 0 3 350.444 -0.389 20 0 FBADHN CN1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000563441227 484093029 /nfs/dbraw/zinc/09/30/29/484093029.db2.gz LHQHIBLJIALPML-OCCSQVGLSA-N 0 3 350.444 -0.389 20 0 FBADHN CN1CCc2ccc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000563441228 484093384 /nfs/dbraw/zinc/09/33/84/484093384.db2.gz LHQHIBLJIALPML-TZMCWYRMSA-N 0 3 350.444 -0.389 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CSCN3C(=O)C3CCC3)CCN2C1=O ZINC000563442543 484105509 /nfs/dbraw/zinc/10/55/09/484105509.db2.gz RFROCRNREMAGOE-JHJVBQTASA-N 0 3 352.460 -0.542 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CSCN3C(=O)C3CCC3)CCN2C1=O ZINC000563442544 484105671 /nfs/dbraw/zinc/10/56/71/484105671.db2.gz RFROCRNREMAGOE-UPJWGTAASA-N 0 3 352.460 -0.542 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CSCN3C(=O)C3CCC3)CCN2C1=O ZINC000563442545 484105725 /nfs/dbraw/zinc/10/57/25/484105725.db2.gz RFROCRNREMAGOE-XQQFMLRXSA-N 0 3 352.460 -0.542 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CSCN3C(=O)C3CCC3)CCN2C1=O ZINC000563442546 484105499 /nfs/dbraw/zinc/10/54/99/484105499.db2.gz RFROCRNREMAGOE-YNEHKIRRSA-N 0 3 352.460 -0.542 20 0 FBADHN COCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000563442837 484105532 /nfs/dbraw/zinc/10/55/32/484105532.db2.gz UJSLQGLECAKBBN-DOMZBBRYSA-N 0 3 369.443 -0.356 20 0 FBADHN COCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000563442838 484105844 /nfs/dbraw/zinc/10/58/44/484105844.db2.gz UJSLQGLECAKBBN-IUODEOHRSA-N 0 3 369.443 -0.356 20 0 FBADHN COCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000563443008 484104984 /nfs/dbraw/zinc/10/49/84/484104984.db2.gz UJSLQGLECAKBBN-SWLSCSKDSA-N 0 3 369.443 -0.356 20 0 FBADHN COCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000563443009 484105574 /nfs/dbraw/zinc/10/55/74/484105574.db2.gz UJSLQGLECAKBBN-WFASDCNBSA-N 0 3 369.443 -0.356 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C ZINC000563443925 484105059 /nfs/dbraw/zinc/10/50/59/484105059.db2.gz ZCXKSFLNJWEXQD-BXUZGUMPSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C ZINC000563443926 484105375 /nfs/dbraw/zinc/10/53/75/484105375.db2.gz ZCXKSFLNJWEXQD-FZMZJTMJSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C ZINC000563443927 484105079 /nfs/dbraw/zinc/10/50/79/484105079.db2.gz ZCXKSFLNJWEXQD-RISCZKNCSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1C ZINC000563443928 484105245 /nfs/dbraw/zinc/10/52/45/484105245.db2.gz ZCXKSFLNJWEXQD-SMDDNHRTSA-N 0 3 367.427 -0.286 20 0 FBADHN Cn1ccc2c1cccc2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563447451 484101885 /nfs/dbraw/zinc/10/18/85/484101885.db2.gz CEECRASLDKVTMY-AAEUAGOBSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2c1cccc2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563447452 484102297 /nfs/dbraw/zinc/10/22/97/484102297.db2.gz CEECRASLDKVTMY-DGCLKSJQSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2c1cccc2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563447453 484101933 /nfs/dbraw/zinc/10/19/33/484101933.db2.gz CEECRASLDKVTMY-WCQYABFASA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2c1cccc2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563447454 484101865 /nfs/dbraw/zinc/10/18/65/484101865.db2.gz CEECRASLDKVTMY-YPMHNXCESA-N 0 3 355.398 -0.113 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ncn(Cc4ccccc4)n3)CCN2C1=O ZINC000563447848 484210966 /nfs/dbraw/zinc/21/09/66/484210966.db2.gz DKYCBDHCRHVERQ-KBPBESRZSA-N 0 3 355.402 0.102 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ncn(Cc4ccccc4)n3)CCN2C1=O ZINC000563447850 484210894 /nfs/dbraw/zinc/21/08/94/484210894.db2.gz DKYCBDHCRHVERQ-KGLIPLIRSA-N 0 3 355.402 0.102 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ncn(Cc4ccccc4)n3)CCN2C1=O ZINC000563447852 484210734 /nfs/dbraw/zinc/21/07/34/484210734.db2.gz DKYCBDHCRHVERQ-UONOGXRCSA-N 0 3 355.402 0.102 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ncn(Cc4ccccc4)n3)CCN2C1=O ZINC000563447854 484211503 /nfs/dbraw/zinc/21/15/03/484211503.db2.gz DKYCBDHCRHVERQ-ZIAGYGMSSA-N 0 3 355.402 0.102 20 0 FBADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563447877 484102136 /nfs/dbraw/zinc/10/21/36/484102136.db2.gz FCQHDZQTAJNPBS-NEPJUHHUSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563447878 484102205 /nfs/dbraw/zinc/10/22/05/484102205.db2.gz FCQHDZQTAJNPBS-NWDGAFQWSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563447879 484102289 /nfs/dbraw/zinc/10/22/89/484102289.db2.gz FCQHDZQTAJNPBS-RYUDHWBXSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563447880 484101657 /nfs/dbraw/zinc/10/16/57/484101657.db2.gz FCQHDZQTAJNPBS-VXGBXAGGSA-N 0 3 374.397 -0.509 20 0 FBADHN CCN(CC)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000563448761 484101703 /nfs/dbraw/zinc/10/17/03/484101703.db2.gz MPBFWHSMDUOAAW-KBPBESRZSA-N 0 3 374.445 -0.363 20 0 FBADHN CCN(CC)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000563448772 484102607 /nfs/dbraw/zinc/10/26/07/484102607.db2.gz MPBFWHSMDUOAAW-KGLIPLIRSA-N 0 3 374.445 -0.363 20 0 FBADHN CCN(CC)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000563448773 484102106 /nfs/dbraw/zinc/10/21/06/484102106.db2.gz MPBFWHSMDUOAAW-UONOGXRCSA-N 0 3 374.445 -0.363 20 0 FBADHN CCN(CC)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000563448775 484102087 /nfs/dbraw/zinc/10/20/87/484102087.db2.gz MPBFWHSMDUOAAW-ZIAGYGMSSA-N 0 3 374.445 -0.363 20 0 FBADHN Cc1nnnn1-c1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563448889 484102619 /nfs/dbraw/zinc/10/26/19/484102619.db2.gz RIPGJKQRUWEAIC-KBPBESRZSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1nnnn1-c1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563448890 484102494 /nfs/dbraw/zinc/10/24/94/484102494.db2.gz RIPGJKQRUWEAIC-KGLIPLIRSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1nnnn1-c1cccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563448891 484102461 /nfs/dbraw/zinc/10/24/61/484102461.db2.gz RIPGJKQRUWEAIC-UONOGXRCSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1nnnn1-c1cccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563448892 484101764 /nfs/dbraw/zinc/10/17/64/484101764.db2.gz RIPGJKQRUWEAIC-ZIAGYGMSSA-N 0 3 356.390 -0.254 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccn(CCc4ccncc4)n3)CCN2C1=O ZINC000563449297 484211108 /nfs/dbraw/zinc/21/11/08/484211108.db2.gz UQVDJTQEOCQDAP-CABCVRRESA-N 0 3 369.429 0.297 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccn(CCc4ccncc4)n3)CCN2C1=O ZINC000563449298 484211079 /nfs/dbraw/zinc/21/10/79/484211079.db2.gz UQVDJTQEOCQDAP-GJZGRUSLSA-N 0 3 369.429 0.297 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccn(CCc4ccncc4)n3)CCN2C1=O ZINC000563449299 484211008 /nfs/dbraw/zinc/21/10/08/484211008.db2.gz UQVDJTQEOCQDAP-HUUCEWRRSA-N 0 3 369.429 0.297 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccn(CCc4ccncc4)n3)CCN2C1=O ZINC000563449300 484210509 /nfs/dbraw/zinc/21/05/09/484210509.db2.gz UQVDJTQEOCQDAP-LSDHHAIUSA-N 0 3 369.429 0.297 20 0 FBADHN Cc1nnnn1-c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1F ZINC000563449342 484102592 /nfs/dbraw/zinc/10/25/92/484102592.db2.gz VQGNPCVIWCDSKO-AAEUAGOBSA-N 0 3 374.380 -0.114 20 0 FBADHN Cc1nnnn1-c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1F ZINC000563449346 484101964 /nfs/dbraw/zinc/10/19/64/484101964.db2.gz VQGNPCVIWCDSKO-DGCLKSJQSA-N 0 3 374.380 -0.114 20 0 FBADHN Cc1nnnn1-c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1F ZINC000563449348 484102350 /nfs/dbraw/zinc/10/23/50/484102350.db2.gz VQGNPCVIWCDSKO-WCQYABFASA-N 0 3 374.380 -0.114 20 0 FBADHN Cc1nnnn1-c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1F ZINC000563449349 484102692 /nfs/dbraw/zinc/10/26/92/484102692.db2.gz VQGNPCVIWCDSKO-YPMHNXCESA-N 0 3 374.380 -0.114 20 0 FBADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563449361 484102049 /nfs/dbraw/zinc/10/20/49/484102049.db2.gz OZIGJWADIKPTDE-AAEUAGOBSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563449363 484102511 /nfs/dbraw/zinc/10/25/11/484102511.db2.gz OZIGJWADIKPTDE-DGCLKSJQSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563449364 484102639 /nfs/dbraw/zinc/10/26/39/484102639.db2.gz OZIGJWADIKPTDE-WCQYABFASA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563449365 484102125 /nfs/dbraw/zinc/10/21/25/484102125.db2.gz OZIGJWADIKPTDE-YPMHNXCESA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000563449745 484102153 /nfs/dbraw/zinc/10/21/53/484102153.db2.gz QMEHXLHLYJDNFY-CHWSQXEVSA-N 0 3 360.370 -0.818 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000563449746 484102023 /nfs/dbraw/zinc/10/20/23/484102023.db2.gz QMEHXLHLYJDNFY-OLZOCXBDSA-N 0 3 360.370 -0.818 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000563449747 484102582 /nfs/dbraw/zinc/10/25/82/484102582.db2.gz QMEHXLHLYJDNFY-QWHCGFSZSA-N 0 3 360.370 -0.818 20 0 FBADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000563449748 484102725 /nfs/dbraw/zinc/10/27/25/484102725.db2.gz QMEHXLHLYJDNFY-STQMWFEESA-N 0 3 360.370 -0.818 20 0 FBADHN CN(CCC[NH3+])C(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000563449948 484102627 /nfs/dbraw/zinc/10/26/27/484102627.db2.gz DGZCPRVLERNVSQ-KRWDZBQOSA-N 0 3 361.402 -0.835 20 0 FBADHN CN(CCC[NH3+])C(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000563449949 484103853 /nfs/dbraw/zinc/10/38/53/484103853.db2.gz DGZCPRVLERNVSQ-QGZVFWFLSA-N 0 3 361.402 -0.835 20 0 FBADHN COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563450102 484103712 /nfs/dbraw/zinc/10/37/12/484103712.db2.gz SKWSXGDPALPZQS-KBPBESRZSA-N 0 3 374.397 -0.889 20 0 FBADHN COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563450103 484103486 /nfs/dbraw/zinc/10/34/86/484103486.db2.gz SKWSXGDPALPZQS-KGLIPLIRSA-N 0 3 374.397 -0.889 20 0 FBADHN COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563450104 484103411 /nfs/dbraw/zinc/10/34/11/484103411.db2.gz SKWSXGDPALPZQS-UONOGXRCSA-N 0 3 374.397 -0.889 20 0 FBADHN COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563450105 484103876 /nfs/dbraw/zinc/10/38/76/484103876.db2.gz SKWSXGDPALPZQS-ZIAGYGMSSA-N 0 3 374.397 -0.889 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4cc[nH]n4)cc3)CCN2C1=O ZINC000563450756 484103395 /nfs/dbraw/zinc/10/33/95/484103395.db2.gz YICJAJIUWUUUND-KBPBESRZSA-N 0 3 368.397 -0.214 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4cc[nH]n4)cc3)CCN2C1=O ZINC000563450758 484103336 /nfs/dbraw/zinc/10/33/36/484103336.db2.gz YICJAJIUWUUUND-KGLIPLIRSA-N 0 3 368.397 -0.214 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4cc[nH]n4)cc3)CCN2C1=O ZINC000563450759 484103870 /nfs/dbraw/zinc/10/38/70/484103870.db2.gz YICJAJIUWUUUND-UONOGXRCSA-N 0 3 368.397 -0.214 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4cc[nH]n4)cc3)CCN2C1=O ZINC000563451147 484103808 /nfs/dbraw/zinc/10/38/08/484103808.db2.gz YICJAJIUWUUUND-ZIAGYGMSSA-N 0 3 368.397 -0.214 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3C(F)(F)F)CCN2C1=O ZINC000563451157 484103259 /nfs/dbraw/zinc/10/32/59/484103259.db2.gz YJMNKQVFHVXSNJ-BDAKNGLRSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccnc3C(F)(F)F)CCN2C1=O ZINC000563451158 484104138 /nfs/dbraw/zinc/10/41/38/484104138.db2.gz YJMNKQVFHVXSNJ-DTWKUNHWSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccnc3C(F)(F)F)CCN2C1=O ZINC000563451159 484103778 /nfs/dbraw/zinc/10/37/78/484103778.db2.gz YJMNKQVFHVXSNJ-IUCAKERBSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3C(F)(F)F)CCN2C1=O ZINC000563451160 484103422 /nfs/dbraw/zinc/10/34/22/484103422.db2.gz YJMNKQVFHVXSNJ-RKDXNWHRSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4)CCN2C1=O ZINC000563451272 484103205 /nfs/dbraw/zinc/10/32/05/484103205.db2.gz YZBANCPIHCHVKE-CHWSQXEVSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4)CCN2C1=O ZINC000563451273 484103885 /nfs/dbraw/zinc/10/38/85/484103885.db2.gz YZBANCPIHCHVKE-OLZOCXBDSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4)CCN2C1=O ZINC000563451274 484104111 /nfs/dbraw/zinc/10/41/11/484104111.db2.gz YZBANCPIHCHVKE-QWHCGFSZSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4c3OCCC4)CCN2C1=O ZINC000563451275 484103739 /nfs/dbraw/zinc/10/37/39/484103739.db2.gz YZBANCPIHCHVKE-STQMWFEESA-N 0 3 358.398 -0.280 20 0 FBADHN CC(C)NCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000563452245 484104160 /nfs/dbraw/zinc/10/41/60/484104160.db2.gz YJQLYENRDKJRSO-UHFFFAOYSA-N 0 3 369.491 -0.352 20 0 FBADHN CCOc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563452317 484103143 /nfs/dbraw/zinc/10/31/43/484103143.db2.gz VIADJUSPWBMSLG-CABCVRRESA-N 0 3 374.441 -0.220 20 0 FBADHN CCOc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563452318 484104062 /nfs/dbraw/zinc/10/40/62/484104062.db2.gz VIADJUSPWBMSLG-GJZGRUSLSA-N 0 3 374.441 -0.220 20 0 FBADHN CCOc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563452319 484104086 /nfs/dbraw/zinc/10/40/86/484104086.db2.gz VIADJUSPWBMSLG-HUUCEWRRSA-N 0 3 374.441 -0.220 20 0 FBADHN CCOc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563452320 484103660 /nfs/dbraw/zinc/10/36/60/484103660.db2.gz VIADJUSPWBMSLG-LSDHHAIUSA-N 0 3 374.441 -0.220 20 0 FBADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)[C@@H]2C1 ZINC000563452696 484102550 /nfs/dbraw/zinc/10/25/50/484102550.db2.gz ZNPSVTZBMDIXDU-GCSSGZNBSA-N 0 3 363.462 -0.413 20 0 FBADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)[C@H]2C1 ZINC000563452697 484101816 /nfs/dbraw/zinc/10/18/16/484101816.db2.gz ZNPSVTZBMDIXDU-GVRJEKJASA-N 0 3 363.462 -0.413 20 0 FBADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)[C@H]2C1 ZINC000563452698 484102525 /nfs/dbraw/zinc/10/25/25/484102525.db2.gz ZNPSVTZBMDIXDU-NPJQDHAYSA-N 0 3 363.462 -0.413 20 0 FBADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)[C@@H]2C1 ZINC000563452699 484104097 /nfs/dbraw/zinc/10/40/97/484104097.db2.gz ZNPSVTZBMDIXDU-RBZJEDDUSA-N 0 3 363.462 -0.413 20 0 FBADHN C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO1 ZINC000563453267 661724468 /nfs/dbraw/zinc/72/44/68/661724468.db2.gz BQERQGLYCYSXKS-AAVRWANBSA-N 0 3 352.435 -0.922 20 0 FBADHN C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCO1 ZINC000563453268 661724393 /nfs/dbraw/zinc/72/43/93/661724393.db2.gz BQERQGLYCYSXKS-MQYQWHSLSA-N 0 3 352.435 -0.922 20 0 FBADHN C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCO1 ZINC000563453269 661724444 /nfs/dbraw/zinc/72/44/44/661724444.db2.gz BQERQGLYCYSXKS-SYQHCUMBSA-N 0 3 352.435 -0.922 20 0 FBADHN C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO1 ZINC000563453270 661724437 /nfs/dbraw/zinc/72/44/37/661724437.db2.gz BQERQGLYCYSXKS-YIYPIFLZSA-N 0 3 352.435 -0.922 20 0 FBADHN COc1cc(C)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563453490 484108404 /nfs/dbraw/zinc/10/84/04/484108404.db2.gz CODSSDZZRPUVLL-DZGCQCFKSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cc(C)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563453497 484107836 /nfs/dbraw/zinc/10/78/36/484107836.db2.gz CODSSDZZRPUVLL-HIFRSBDPSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cc(C)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563453498 484108361 /nfs/dbraw/zinc/10/83/61/484108361.db2.gz CODSSDZZRPUVLL-UKRRQHHQSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cc(C)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563453500 484107462 /nfs/dbraw/zinc/10/74/62/484107462.db2.gz CODSSDZZRPUVLL-ZFWWWQNUSA-N 0 3 360.414 -0.610 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3Cc4ccccc4C3)CCN2C1=O ZINC000563453749 484108238 /nfs/dbraw/zinc/10/82/38/484108238.db2.gz FVEVFPFITHTPRV-CVEARBPZSA-N 0 3 356.426 -0.712 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3Cc4ccccc4C3)CCN2C1=O ZINC000563453757 484107682 /nfs/dbraw/zinc/10/76/82/484107682.db2.gz FVEVFPFITHTPRV-HOTGVXAUSA-N 0 3 356.426 -0.712 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3Cc4ccccc4C3)CCN2C1=O ZINC000563453760 484108456 /nfs/dbraw/zinc/10/84/56/484108456.db2.gz FVEVFPFITHTPRV-HZPDHXFCSA-N 0 3 356.426 -0.712 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3Cc4ccccc4C3)CCN2C1=O ZINC000563453761 484107915 /nfs/dbraw/zinc/10/79/15/484107915.db2.gz FVEVFPFITHTPRV-JKSUJKDBSA-N 0 3 356.426 -0.712 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000563454902 484107805 /nfs/dbraw/zinc/10/78/05/484107805.db2.gz QKJWZVQRHFTPNV-DZGCQCFKSA-N 0 3 366.462 -0.388 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000563454903 484107822 /nfs/dbraw/zinc/10/78/22/484107822.db2.gz QKJWZVQRHFTPNV-HIFRSBDPSA-N 0 3 366.462 -0.388 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000563454904 484107403 /nfs/dbraw/zinc/10/74/03/484107403.db2.gz QKJWZVQRHFTPNV-UKRRQHHQSA-N 0 3 366.462 -0.388 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000563454907 484108331 /nfs/dbraw/zinc/10/83/31/484108331.db2.gz QKJWZVQRHFTPNV-ZFWWWQNUSA-N 0 3 366.462 -0.388 20 0 FBADHN C[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563455353 484108278 /nfs/dbraw/zinc/10/82/78/484108278.db2.gz WMBAAEJCTNFAED-BMFZPTHFSA-N 0 3 358.442 -0.106 20 0 FBADHN C[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563455354 484107280 /nfs/dbraw/zinc/10/72/80/484107280.db2.gz WMBAAEJCTNFAED-FVQBIDKESA-N 0 3 358.442 -0.106 20 0 FBADHN C[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563455355 484107296 /nfs/dbraw/zinc/10/72/96/484107296.db2.gz WMBAAEJCTNFAED-KBMXLJTQSA-N 0 3 358.442 -0.106 20 0 FBADHN C[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563455356 484107343 /nfs/dbraw/zinc/10/73/43/484107343.db2.gz WMBAAEJCTNFAED-VNQPRFMTSA-N 0 3 358.442 -0.106 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCSCC(F)(F)F)CCN2C1=O ZINC000563455646 484108157 /nfs/dbraw/zinc/10/81/57/484108157.db2.gz ZKAPOXIBVZZQSQ-BDAKNGLRSA-N 0 3 368.381 -0.832 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCSCC(F)(F)F)CCN2C1=O ZINC000563455652 484107310 /nfs/dbraw/zinc/10/73/10/484107310.db2.gz ZKAPOXIBVZZQSQ-DTWKUNHWSA-N 0 3 368.381 -0.832 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCSCC(F)(F)F)CCN2C1=O ZINC000563455653 484107523 /nfs/dbraw/zinc/10/75/23/484107523.db2.gz ZKAPOXIBVZZQSQ-IUCAKERBSA-N 0 3 368.381 -0.832 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCSCC(F)(F)F)CCN2C1=O ZINC000563455654 484107752 /nfs/dbraw/zinc/10/77/52/484107752.db2.gz ZKAPOXIBVZZQSQ-RKDXNWHRSA-N 0 3 368.381 -0.832 20 0 FBADHN Cn1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C(F)(F)F)n1 ZINC000563455693 484108294 /nfs/dbraw/zinc/10/82/94/484108294.db2.gz BEDVGJFLTHYIQQ-NXEZZACHSA-N 0 3 360.340 -0.108 20 0 FBADHN Cn1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C(F)(F)F)n1 ZINC000563455698 484108342 /nfs/dbraw/zinc/10/83/42/484108342.db2.gz BEDVGJFLTHYIQQ-UWVGGRQHSA-N 0 3 360.340 -0.108 20 0 FBADHN Cn1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C(F)(F)F)n1 ZINC000563455699 484107634 /nfs/dbraw/zinc/10/76/34/484107634.db2.gz BEDVGJFLTHYIQQ-VHSXEESVSA-N 0 3 360.340 -0.108 20 0 FBADHN Cn1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C(F)(F)F)n1 ZINC000563455700 484108010 /nfs/dbraw/zinc/10/80/10/484108010.db2.gz BEDVGJFLTHYIQQ-ZJUUUORDSA-N 0 3 360.340 -0.108 20 0 FBADHN CCc1n[nH]c(=O)c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1CC ZINC000563455870 484107660 /nfs/dbraw/zinc/10/76/60/484107660.db2.gz CINMZCTURJSZET-GWCFXTLKSA-N 0 3 362.434 -0.240 20 0 FBADHN CCc1n[nH]c(=O)c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1CC ZINC000563455873 484108315 /nfs/dbraw/zinc/10/83/15/484108315.db2.gz CINMZCTURJSZET-GXFFZTMASA-N 0 3 362.434 -0.240 20 0 FBADHN CCc1n[nH]c(=O)c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1CC ZINC000563455876 484107740 /nfs/dbraw/zinc/10/77/40/484107740.db2.gz CINMZCTURJSZET-MFKMUULPSA-N 0 3 362.434 -0.240 20 0 FBADHN CCc1n[nH]c(=O)c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1CC ZINC000563455878 484107793 /nfs/dbraw/zinc/10/77/93/484107793.db2.gz CINMZCTURJSZET-ZWNOBZJWSA-N 0 3 362.434 -0.240 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3ccc(F)cc3)CCN2C1=O ZINC000563456851 484108114 /nfs/dbraw/zinc/10/81/14/484108114.db2.gz IVJGNZNGCHQGHF-KBPBESRZSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3ccc(F)cc3)CCN2C1=O ZINC000563456852 484108443 /nfs/dbraw/zinc/10/84/43/484108443.db2.gz IVJGNZNGCHQGHF-KGLIPLIRSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3ccc(F)cc3)CCN2C1=O ZINC000563456853 484108103 /nfs/dbraw/zinc/10/81/03/484108103.db2.gz IVJGNZNGCHQGHF-UONOGXRCSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3ccc(F)cc3)CCN2C1=O ZINC000563456854 484107701 /nfs/dbraw/zinc/10/77/01/484107701.db2.gz IVJGNZNGCHQGHF-ZIAGYGMSSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000563458140 484108476 /nfs/dbraw/zinc/10/84/76/484108476.db2.gz RJQATQQTSPYABY-AEGPPILISA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000563458149 484108560 /nfs/dbraw/zinc/10/85/60/484108560.db2.gz RJQATQQTSPYABY-BPLDGKMQSA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000563458150 484108028 /nfs/dbraw/zinc/10/80/28/484108028.db2.gz RJQATQQTSPYABY-NWANDNLSSA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CCN2C1=O ZINC000563458151 484109192 /nfs/dbraw/zinc/10/91/92/484109192.db2.gz RJQATQQTSPYABY-VHDGCEQUSA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)CCN2C1=O ZINC000563458974 484109855 /nfs/dbraw/zinc/10/98/55/484109855.db2.gz XMSBHRJBDNDTDW-GRYCIOLGSA-N 0 3 363.384 -0.176 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)CCN2C1=O ZINC000563458975 484109144 /nfs/dbraw/zinc/10/91/44/484109144.db2.gz XMSBHRJBDNDTDW-IJLUTSLNSA-N 0 3 363.384 -0.176 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CCN2C1=O ZINC000563458976 484109577 /nfs/dbraw/zinc/10/95/77/484109577.db2.gz XMSBHRJBDNDTDW-QJPTWQEYSA-N 0 3 363.384 -0.176 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CCN2C1=O ZINC000563458978 484109260 /nfs/dbraw/zinc/10/92/60/484109260.db2.gz XMSBHRJBDNDTDW-SDDRHHMPSA-N 0 3 363.384 -0.176 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCc3nnc4ccccn43)CCN2C1=O ZINC000563459180 484108969 /nfs/dbraw/zinc/10/89/69/484108969.db2.gz VXHSJJSJXBOGKR-CHWSQXEVSA-N 0 3 357.418 -0.385 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCc3nnc4ccccn43)CCN2C1=O ZINC000563459181 484109395 /nfs/dbraw/zinc/10/93/95/484109395.db2.gz VXHSJJSJXBOGKR-OLZOCXBDSA-N 0 3 357.418 -0.385 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCc3nnc4ccccn43)CCN2C1=O ZINC000563459182 484109237 /nfs/dbraw/zinc/10/92/37/484109237.db2.gz VXHSJJSJXBOGKR-QWHCGFSZSA-N 0 3 357.418 -0.385 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCc3nnc4ccccn43)CCN2C1=O ZINC000563459183 484109740 /nfs/dbraw/zinc/10/97/40/484109740.db2.gz VXHSJJSJXBOGKR-STQMWFEESA-N 0 3 357.418 -0.385 20 0 FBADHN COCCOCCc1nc(C(=O)N2CCN(CCN(C)C)CC2)c[nH]1 ZINC000563466324 484106609 /nfs/dbraw/zinc/10/66/09/484106609.db2.gz OYKGILCATWLTSP-UHFFFAOYSA-N 0 3 353.467 -0.065 20 0 FBADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C)[nH]n1 ZINC000563467736 484121257 /nfs/dbraw/zinc/12/12/57/484121257.db2.gz CKTXJFFFMGREQY-CYBMUJFWSA-N 0 3 352.483 -0.283 20 0 FBADHN Cc1cc(C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C)[nH]n1 ZINC000563467740 484121203 /nfs/dbraw/zinc/12/12/03/484121203.db2.gz CKTXJFFFMGREQY-ZDUSSCGKSA-N 0 3 352.483 -0.283 20 0 FBADHN Cc1cn2c(ncc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c2=O)s1 ZINC000563475493 484112486 /nfs/dbraw/zinc/11/24/86/484112486.db2.gz TWVOXWDNTVTCEW-JTQLQIEISA-N 0 3 351.432 -0.139 20 0 FBADHN Cc1cn2c(ncc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c2=O)s1 ZINC000563475495 484112003 /nfs/dbraw/zinc/11/20/03/484112003.db2.gz TWVOXWDNTVTCEW-SNVBAGLBSA-N 0 3 351.432 -0.139 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)cn1 ZINC000563516612 484137083 /nfs/dbraw/zinc/13/70/83/484137083.db2.gz SEJZKNLFJVPMNU-HNNXBMFYSA-N 0 3 360.462 -0.235 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)cn1 ZINC000563516613 484136905 /nfs/dbraw/zinc/13/69/05/484136905.db2.gz SEJZKNLFJVPMNU-OAHLLOKOSA-N 0 3 360.462 -0.235 20 0 FBADHN O=C(NC1CNC1)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000563522756 484134293 /nfs/dbraw/zinc/13/42/93/484134293.db2.gz MKGBPILYNNGQRU-KZULUSFZSA-N 0 3 359.430 -0.010 20 0 FBADHN CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000563524302 484136026 /nfs/dbraw/zinc/13/60/26/484136026.db2.gz ZMJMLHFIIFLDHH-AWEZNQCLSA-N 0 3 356.467 -0.460 20 0 FBADHN CC[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000563524311 484135698 /nfs/dbraw/zinc/13/56/98/484135698.db2.gz ZMJMLHFIIFLDHH-CQSZACIVSA-N 0 3 356.467 -0.460 20 0 FBADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563528180 484138658 /nfs/dbraw/zinc/13/86/58/484138658.db2.gz BDIIHTQFPMSFSN-HNNXBMFYSA-N 0 3 364.494 -0.215 20 0 FBADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000563528181 484138724 /nfs/dbraw/zinc/13/87/24/484138724.db2.gz BDIIHTQFPMSFSN-OAHLLOKOSA-N 0 3 364.494 -0.215 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@](CO)(c3ccccc3)C2)[C@H](CN)C1 ZINC000563528366 484138055 /nfs/dbraw/zinc/13/80/55/484138055.db2.gz ZVXUJCMSFKVOOL-APWZRJJASA-N 0 3 360.458 -0.750 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@](CO)(c3ccccc3)C2)[C@@H](CN)C1 ZINC000563528367 484138255 /nfs/dbraw/zinc/13/82/55/484138255.db2.gz ZVXUJCMSFKVOOL-LPHOPBHVSA-N 0 3 360.458 -0.750 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@@](CO)(c3ccccc3)C2)[C@@H](CN)C1 ZINC000563528368 484138517 /nfs/dbraw/zinc/13/85/17/484138517.db2.gz ZVXUJCMSFKVOOL-QFBILLFUSA-N 0 3 360.458 -0.750 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@@](CO)(c3ccccc3)C2)[C@H](CN)C1 ZINC000563528369 484138585 /nfs/dbraw/zinc/13/85/85/484138585.db2.gz ZVXUJCMSFKVOOL-VQIMIIECSA-N 0 3 360.458 -0.750 20 0 FBADHN COC(=O)C[C@H](N)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000563534000 484140445 /nfs/dbraw/zinc/14/04/45/484140445.db2.gz IXFPGNIKKXSECL-AWEZNQCLSA-N 0 3 350.419 -0.515 20 0 FBADHN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000563539921 484144892 /nfs/dbraw/zinc/14/48/92/484144892.db2.gz ZRROKTUHIOPLHP-GFCCVEGCSA-N 0 3 361.489 -0.256 20 0 FBADHN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000563539926 484145710 /nfs/dbraw/zinc/14/57/10/484145710.db2.gz ZRROKTUHIOPLHP-LBPRGKRZSA-N 0 3 361.489 -0.256 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000563548646 484143429 /nfs/dbraw/zinc/14/34/29/484143429.db2.gz KKFXGMZQBVTICU-AEGPPILISA-N 0 3 363.462 -0.127 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000563548647 484144120 /nfs/dbraw/zinc/14/41/20/484144120.db2.gz KKFXGMZQBVTICU-BPLDGKMQSA-N 0 3 363.462 -0.127 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000563548648 484144278 /nfs/dbraw/zinc/14/42/78/484144278.db2.gz KKFXGMZQBVTICU-NWANDNLSSA-N 0 3 363.462 -0.127 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CCN2C1=O ZINC000563548649 484143194 /nfs/dbraw/zinc/14/31/94/484143194.db2.gz KKFXGMZQBVTICU-VHDGCEQUSA-N 0 3 363.462 -0.127 20 0 FBADHN CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000563549140 484144111 /nfs/dbraw/zinc/14/41/11/484144111.db2.gz QHRJWISQXMUXMV-LOWDOPEQSA-N 0 3 354.476 -0.453 20 0 FBADHN CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000563549141 484144075 /nfs/dbraw/zinc/14/40/75/484144075.db2.gz QHRJWISQXMUXMV-RVMXOQNASA-N 0 3 354.476 -0.453 20 0 FBADHN CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000563549142 484144357 /nfs/dbraw/zinc/14/43/57/484144357.db2.gz QHRJWISQXMUXMV-UMSGYPCISA-N 0 3 354.476 -0.453 20 0 FBADHN CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000563549143 484143906 /nfs/dbraw/zinc/14/39/06/484143906.db2.gz QHRJWISQXMUXMV-WUHRBBMRSA-N 0 3 354.476 -0.453 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000563549509 484144162 /nfs/dbraw/zinc/14/41/62/484144162.db2.gz ZEZOPEVQQBVFQS-DTZQCDIJSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000563549510 484144339 /nfs/dbraw/zinc/14/43/39/484144339.db2.gz ZEZOPEVQQBVFQS-MIGQKNRLSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000563549511 484144134 /nfs/dbraw/zinc/14/41/34/484144134.db2.gz ZEZOPEVQQBVFQS-QCEMKRCNSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000563549512 484144458 /nfs/dbraw/zinc/14/44/58/484144458.db2.gz ZEZOPEVQQBVFQS-TUUVXOQKSA-N 0 3 374.416 -0.042 20 0 FBADHN COc1cc(OC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563549531 484144144 /nfs/dbraw/zinc/14/41/44/484144144.db2.gz HVJRPKZJDPIJSR-HZMBPMFUSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1cc(OC)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563549533 484143892 /nfs/dbraw/zinc/14/38/92/484143892.db2.gz HVJRPKZJDPIJSR-IINYFYTJSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1cc(OC)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563549534 484143642 /nfs/dbraw/zinc/14/36/42/484143642.db2.gz HVJRPKZJDPIJSR-QMTHXVAHSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1cc(OC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563549535 484144326 /nfs/dbraw/zinc/14/43/26/484144326.db2.gz HVJRPKZJDPIJSR-YGRLFVJLSA-N 0 3 355.416 -0.364 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000563553014 484143117 /nfs/dbraw/zinc/14/31/17/484143117.db2.gz IANMXUVIBMFJDG-UHFFFAOYSA-N 0 3 362.478 -0.335 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000563553974 484146107 /nfs/dbraw/zinc/14/61/07/484146107.db2.gz PSBAETCXDZGXLD-CVEARBPZSA-N 0 3 370.494 -0.560 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000563553975 484145190 /nfs/dbraw/zinc/14/51/90/484145190.db2.gz PSBAETCXDZGXLD-HOTGVXAUSA-N 0 3 370.494 -0.560 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000563553976 484145733 /nfs/dbraw/zinc/14/57/33/484145733.db2.gz PSBAETCXDZGXLD-HZPDHXFCSA-N 0 3 370.494 -0.560 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000563553977 484145000 /nfs/dbraw/zinc/14/50/00/484145000.db2.gz PSBAETCXDZGXLD-JKSUJKDBSA-N 0 3 370.494 -0.560 20 0 FBADHN O=C(NCCS(=O)(=O)NCc1ccccc1)N1CCOC2(CNC2)C1 ZINC000563556167 484145771 /nfs/dbraw/zinc/14/57/71/484145771.db2.gz ONFUYYBBHLMHLM-UHFFFAOYSA-N 0 3 368.459 -0.510 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000563575202 484271562 /nfs/dbraw/zinc/27/15/62/484271562.db2.gz KZRWLTMULNVWBS-AWEZNQCLSA-N 0 3 363.462 0.445 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000563575205 484271516 /nfs/dbraw/zinc/27/15/16/484271516.db2.gz KZRWLTMULNVWBS-CQSZACIVSA-N 0 3 363.462 0.445 20 0 FBADHN O=C(CNC(=O)N1CCC(CCN2CCOCC2)CC1)N1CCNCC1 ZINC000563595184 484149286 /nfs/dbraw/zinc/14/92/86/484149286.db2.gz PYJVWYVHPCDAQF-UHFFFAOYSA-N 0 3 367.494 -0.438 20 0 FBADHN COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563611170 484150602 /nfs/dbraw/zinc/15/06/02/484150602.db2.gz KOCVMEMSUHKZIT-KBPBESRZSA-N 0 3 352.435 -0.555 20 0 FBADHN COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563611177 484150815 /nfs/dbraw/zinc/15/08/15/484150815.db2.gz KOCVMEMSUHKZIT-KGLIPLIRSA-N 0 3 352.435 -0.555 20 0 FBADHN COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000563611179 484150048 /nfs/dbraw/zinc/15/00/48/484150048.db2.gz KOCVMEMSUHKZIT-UONOGXRCSA-N 0 3 352.435 -0.555 20 0 FBADHN COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000563611180 484150826 /nfs/dbraw/zinc/15/08/26/484150826.db2.gz KOCVMEMSUHKZIT-ZIAGYGMSSA-N 0 3 352.435 -0.555 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)[C@H](CN)C1 ZINC000563612162 484151422 /nfs/dbraw/zinc/15/14/22/484151422.db2.gz ASIKFYPZPXIYTH-CHWSQXEVSA-N 0 3 364.425 -0.983 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)[C@@H](CN)C1 ZINC000563612163 484151688 /nfs/dbraw/zinc/15/16/88/484151688.db2.gz ASIKFYPZPXIYTH-OLZOCXBDSA-N 0 3 364.425 -0.983 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)[C@H](CN)C1 ZINC000563612164 484151768 /nfs/dbraw/zinc/15/17/68/484151768.db2.gz ASIKFYPZPXIYTH-QWHCGFSZSA-N 0 3 364.425 -0.983 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)[C@@H](CN)C1 ZINC000563612165 484151719 /nfs/dbraw/zinc/15/17/19/484151719.db2.gz ASIKFYPZPXIYTH-STQMWFEESA-N 0 3 364.425 -0.983 20 0 FBADHN COc1ccc(OC)c(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000563614920 484153137 /nfs/dbraw/zinc/15/31/37/484153137.db2.gz HBYFKQSMLAXRHS-CYBMUJFWSA-N 0 3 350.419 -0.579 20 0 FBADHN COc1ccc(OC)c(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000563614921 484152890 /nfs/dbraw/zinc/15/28/90/484152890.db2.gz HBYFKQSMLAXRHS-ZDUSSCGKSA-N 0 3 350.419 -0.579 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)[C@H](CN)C1 ZINC000563615195 484153318 /nfs/dbraw/zinc/15/33/18/484153318.db2.gz FSNSYSCUJWKHBX-CVEARBPZSA-N 0 3 373.457 -0.601 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)[C@@H](CN)C1 ZINC000563615198 484152796 /nfs/dbraw/zinc/15/27/96/484152796.db2.gz FSNSYSCUJWKHBX-HOTGVXAUSA-N 0 3 373.457 -0.601 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)[C@H](CN)C1 ZINC000563615199 484152995 /nfs/dbraw/zinc/15/29/95/484152995.db2.gz FSNSYSCUJWKHBX-HZPDHXFCSA-N 0 3 373.457 -0.601 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)[C@@H](CN)C1 ZINC000563615200 484152732 /nfs/dbraw/zinc/15/27/32/484152732.db2.gz FSNSYSCUJWKHBX-JKSUJKDBSA-N 0 3 373.457 -0.601 20 0 FBADHN Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563615477 484154151 /nfs/dbraw/zinc/15/41/51/484154151.db2.gz VUPCVKAJFOGQIV-KRWDZBQOSA-N 0 3 370.457 -0.102 20 0 FBADHN Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000563615484 484154583 /nfs/dbraw/zinc/15/45/83/484154583.db2.gz VUPCVKAJFOGQIV-QGZVFWFLSA-N 0 3 370.457 -0.102 20 0 FBADHN O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC1CNC1 ZINC000563619816 484154703 /nfs/dbraw/zinc/15/47/03/484154703.db2.gz ZADSFSVHUHMLPC-HNNXBMFYSA-N 0 3 350.394 -0.597 20 0 FBADHN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC1CNC1 ZINC000563619818 484154710 /nfs/dbraw/zinc/15/47/10/484154710.db2.gz ZADSFSVHUHMLPC-OAHLLOKOSA-N 0 3 350.394 -0.597 20 0 FBADHN CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000563620416 484154492 /nfs/dbraw/zinc/15/44/92/484154492.db2.gz XNTIPKSNPNPTKH-UHFFFAOYSA-N 0 3 368.459 -0.532 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)[C@H](CN)C1 ZINC000563620920 484154811 /nfs/dbraw/zinc/15/48/11/484154811.db2.gz JMIREWNVJLCZHQ-BRWVUGGUSA-N 0 3 360.458 -0.018 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)[C@H](CN)C1 ZINC000563620927 484154741 /nfs/dbraw/zinc/15/47/41/484154741.db2.gz JMIREWNVJLCZHQ-GVDBMIGSSA-N 0 3 360.458 -0.018 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)[C@@H](CN)C1 ZINC000563620928 484154296 /nfs/dbraw/zinc/15/42/96/484154296.db2.gz JMIREWNVJLCZHQ-IXDOHACOSA-N 0 3 360.458 -0.018 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)[C@@H](CN)C1 ZINC000563620929 484154768 /nfs/dbraw/zinc/15/47/68/484154768.db2.gz JMIREWNVJLCZHQ-YESZJQIVSA-N 0 3 360.458 -0.018 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CNC2)s1 ZINC000563620964 484153989 /nfs/dbraw/zinc/15/39/89/484153989.db2.gz RAFKZLWMYSOFAP-UHFFFAOYSA-N 0 3 374.488 -0.517 20 0 FBADHN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563624689 484169234 /nfs/dbraw/zinc/16/92/34/484169234.db2.gz SBSTYOONDIDPES-CHWSQXEVSA-N 0 3 372.495 -0.136 20 0 FBADHN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563624694 484168820 /nfs/dbraw/zinc/16/88/20/484168820.db2.gz SBSTYOONDIDPES-OLZOCXBDSA-N 0 3 372.495 -0.136 20 0 FBADHN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563624697 484168855 /nfs/dbraw/zinc/16/88/55/484168855.db2.gz SBSTYOONDIDPES-QWHCGFSZSA-N 0 3 372.495 -0.136 20 0 FBADHN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563624698 484169038 /nfs/dbraw/zinc/16/90/38/484169038.db2.gz SBSTYOONDIDPES-STQMWFEESA-N 0 3 372.495 -0.136 20 0 FBADHN CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)[C@H](CN)C1 ZINC000563625118 484168294 /nfs/dbraw/zinc/16/82/94/484168294.db2.gz QXFJTPFCFZDEGU-GFCCVEGCSA-N 0 3 360.867 -0.280 20 0 FBADHN CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CN)C1 ZINC000563625133 484169354 /nfs/dbraw/zinc/16/93/54/484169354.db2.gz QXFJTPFCFZDEGU-LBPRGKRZSA-N 0 3 360.867 -0.280 20 0 FBADHN CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccccc1 ZINC000563627521 484175399 /nfs/dbraw/zinc/17/53/99/484175399.db2.gz BYNDUJYUDGLISN-CABCVRRESA-N 0 3 361.446 -0.919 20 0 FBADHN CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1 ZINC000563627538 484175761 /nfs/dbraw/zinc/17/57/61/484175761.db2.gz BYNDUJYUDGLISN-GJZGRUSLSA-N 0 3 361.446 -0.919 20 0 FBADHN CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccccc1 ZINC000563627539 484176106 /nfs/dbraw/zinc/17/61/06/484176106.db2.gz BYNDUJYUDGLISN-HUUCEWRRSA-N 0 3 361.446 -0.919 20 0 FBADHN CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1 ZINC000563627540 484175930 /nfs/dbraw/zinc/17/59/30/484175930.db2.gz BYNDUJYUDGLISN-LSDHHAIUSA-N 0 3 361.446 -0.919 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ncc(-c3ccccc3)cn2)[C@@H](CN)C1 ZINC000563628397 484175920 /nfs/dbraw/zinc/17/59/20/484175920.db2.gz RAFUGJRINWEHRI-INIZCTEOSA-N 0 3 368.441 -0.139 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ncc(-c3ccccc3)cn2)[C@H](CN)C1 ZINC000563628452 484175746 /nfs/dbraw/zinc/17/57/46/484175746.db2.gz RAFUGJRINWEHRI-MRXNPFEDSA-N 0 3 368.441 -0.139 20 0 FBADHN Cn1cnc(S(=O)(=O)NCC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000563628901 484175594 /nfs/dbraw/zinc/17/55/94/484175594.db2.gz JEYYOPBXVLHIAA-UHFFFAOYSA-N 0 3 357.480 -0.063 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000563629437 484175610 /nfs/dbraw/zinc/17/56/10/484175610.db2.gz HFLVOYMDNJUDGW-UHFFFAOYSA-N 0 3 373.479 -0.624 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CSCN3C(=O)C3CCCC3)CCN2C1=O ZINC000563635211 484180384 /nfs/dbraw/zinc/18/03/84/484180384.db2.gz HFVHCHKLADIAJO-BFHYXJOUSA-N 0 3 366.487 -0.152 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CSCN3C(=O)C3CCCC3)CCN2C1=O ZINC000563635217 484180367 /nfs/dbraw/zinc/18/03/67/484180367.db2.gz HFVHCHKLADIAJO-MCIONIFRSA-N 0 3 366.487 -0.152 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CSCN3C(=O)C3CCCC3)CCN2C1=O ZINC000563635372 484180922 /nfs/dbraw/zinc/18/09/22/484180922.db2.gz HFVHCHKLADIAJO-MGPQQGTHSA-N 0 3 366.487 -0.152 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CSCN3C(=O)C3CCCC3)CCN2C1=O ZINC000563635373 484180515 /nfs/dbraw/zinc/18/05/15/484180515.db2.gz HFVHCHKLADIAJO-MJBXVCDLSA-N 0 3 366.487 -0.152 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccc3c(c2)OCCO3)[C@@H](CN)C1 ZINC000563644498 484182068 /nfs/dbraw/zinc/18/20/68/484182068.db2.gz FHDFYCIRHDQIPW-AWEZNQCLSA-N 0 3 362.430 -0.782 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccc3c(c2)OCCO3)[C@H](CN)C1 ZINC000563644522 484182274 /nfs/dbraw/zinc/18/22/74/484182274.db2.gz FHDFYCIRHDQIPW-CQSZACIVSA-N 0 3 362.430 -0.782 20 0 FBADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)NC3CNC3)CC2)c1 ZINC000563644628 484182347 /nfs/dbraw/zinc/18/23/47/484182347.db2.gz KNWALQCEAXELNF-UHFFFAOYSA-N 0 3 359.474 -0.289 20 0 FBADHN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C(=O)NC1CNC1)CC3 ZINC000563645389 484181857 /nfs/dbraw/zinc/18/18/57/484181857.db2.gz SRJQOTSGRXVKDY-UHFFFAOYSA-N 0 3 356.382 -0.073 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000563647515 484182226 /nfs/dbraw/zinc/18/22/26/484182226.db2.gz OORLRBNNDALJRV-AWEZNQCLSA-N 0 3 352.460 -0.503 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000563647541 484182998 /nfs/dbraw/zinc/18/29/98/484182998.db2.gz OORLRBNNDALJRV-CQSZACIVSA-N 0 3 352.460 -0.503 20 0 FBADHN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000563647792 484184390 /nfs/dbraw/zinc/18/43/90/484184390.db2.gz KLQPJUCQBDZPLK-UHFFFAOYSA-N 0 3 362.405 -0.483 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000563648487 484184674 /nfs/dbraw/zinc/18/46/74/484184674.db2.gz RLSANMOFUKHPFG-LLVKDONJSA-N 0 3 355.357 -0.092 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000563648493 484184919 /nfs/dbraw/zinc/18/49/19/484184919.db2.gz RLSANMOFUKHPFG-NSHDSACASA-N 0 3 355.357 -0.092 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000563648821 484184228 /nfs/dbraw/zinc/18/42/28/484184228.db2.gz QRGWWJPRVGJMNA-UHFFFAOYSA-N 0 3 350.806 -0.401 20 0 FBADHN O=C(Cc1ccccc1Cl)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000563648964 484184586 /nfs/dbraw/zinc/18/45/86/484184586.db2.gz ROZWEMDWJJISHE-UHFFFAOYSA-N 0 3 364.833 -0.359 20 0 FBADHN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000563649372 484184687 /nfs/dbraw/zinc/18/46/87/484184687.db2.gz XPZPOSCGMBVRNB-UHFFFAOYSA-N 0 3 359.430 -0.529 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000563653406 484183711 /nfs/dbraw/zinc/18/37/11/484183711.db2.gz CKMWFEJWEPUJNF-CYBMUJFWSA-N 0 3 362.430 -0.435 20 0 FBADHN Cc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)o1 ZINC000563662192 484185947 /nfs/dbraw/zinc/18/59/47/484185947.db2.gz XBKCIOSJERJEFA-KRWDZBQOSA-N 0 3 361.402 -0.046 20 0 FBADHN Cc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)o1 ZINC000563662193 484185751 /nfs/dbraw/zinc/18/57/51/484185751.db2.gz XBKCIOSJERJEFA-QGZVFWFLSA-N 0 3 361.402 -0.046 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@H](COC)C2)CC1 ZINC000563673315 484187650 /nfs/dbraw/zinc/18/76/50/484187650.db2.gz FKWALBUEMLPIBO-CVEARBPZSA-N 0 3 370.494 -0.750 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@H](COC)C2)CC1 ZINC000563673333 484187208 /nfs/dbraw/zinc/18/72/08/484187208.db2.gz FKWALBUEMLPIBO-HOTGVXAUSA-N 0 3 370.494 -0.750 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@@H](COC)C2)CC1 ZINC000563673334 484187795 /nfs/dbraw/zinc/18/77/95/484187795.db2.gz FKWALBUEMLPIBO-HZPDHXFCSA-N 0 3 370.494 -0.750 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](COC)C2)CC1 ZINC000563673336 484187902 /nfs/dbraw/zinc/18/79/02/484187902.db2.gz FKWALBUEMLPIBO-JKSUJKDBSA-N 0 3 370.494 -0.750 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC[C@H]1C ZINC000563674093 484188121 /nfs/dbraw/zinc/18/81/21/484188121.db2.gz KRVCOYZTPNBZAJ-ARFHVFGLSA-N 0 3 354.495 -0.131 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[C@H]1C ZINC000563674099 484188256 /nfs/dbraw/zinc/18/82/56/484188256.db2.gz KRVCOYZTPNBZAJ-BZUAXINKSA-N 0 3 354.495 -0.131 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC[C@@H]1C ZINC000563674102 484187936 /nfs/dbraw/zinc/18/79/36/484187936.db2.gz KRVCOYZTPNBZAJ-HRCADAONSA-N 0 3 354.495 -0.131 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[C@@H]1C ZINC000563674103 484187828 /nfs/dbraw/zinc/18/78/28/484187828.db2.gz KRVCOYZTPNBZAJ-OWCLPIDISA-N 0 3 354.495 -0.131 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCCOC(F)F)CN1CCN(C)CC1 ZINC000563674112 484188077 /nfs/dbraw/zinc/18/80/77/484188077.db2.gz KZJPKYLHKGTQCM-GFCCVEGCSA-N 0 3 350.410 -0.268 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCCOC(F)F)CN1CCN(C)CC1 ZINC000563674117 484187731 /nfs/dbraw/zinc/18/77/31/484187731.db2.gz KZJPKYLHKGTQCM-LBPRGKRZSA-N 0 3 350.410 -0.268 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn3ccc(C)nc23)CC1=O ZINC000563695914 484001092 /nfs/dbraw/zinc/00/10/92/484001092.db2.gz IYQJMPBIDPBXRW-AWEZNQCLSA-N 0 3 374.445 -0.053 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn3ccc(C)nc23)CC1=O ZINC000563695931 484001231 /nfs/dbraw/zinc/00/12/31/484001231.db2.gz IYQJMPBIDPBXRW-CQSZACIVSA-N 0 3 374.445 -0.053 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(=O)n2C)CC1=O ZINC000563698080 484004489 /nfs/dbraw/zinc/00/44/89/484004489.db2.gz RXADOHOJABRIGF-CYBMUJFWSA-N 0 3 350.419 -0.706 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(=O)n2C)CC1=O ZINC000563698081 484004416 /nfs/dbraw/zinc/00/44/16/484004416.db2.gz RXADOHOJABRIGF-ZDUSSCGKSA-N 0 3 350.419 -0.706 20 0 FBADHN Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000563700922 484008376 /nfs/dbraw/zinc/00/83/76/484008376.db2.gz LKUDSYXNFMZLRS-HNNXBMFYSA-N 0 3 360.462 -0.860 20 0 FBADHN Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000563700941 484008694 /nfs/dbraw/zinc/00/86/94/484008694.db2.gz LKUDSYXNFMZLRS-OAHLLOKOSA-N 0 3 360.462 -0.860 20 0 FBADHN COCCNCC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000563708319 484018283 /nfs/dbraw/zinc/01/82/83/484018283.db2.gz RJBXKDFPDOHQBH-UHFFFAOYSA-N 0 3 359.448 -0.848 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)[C@@H]2C1 ZINC000563708931 484021025 /nfs/dbraw/zinc/02/10/25/484021025.db2.gz YGUSJUFQFXHPOY-SMDDNHRTSA-N 0 3 357.414 -0.202 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(N4CCC4=O)c3)CCN2C1=O ZINC000563727974 484033477 /nfs/dbraw/zinc/03/34/77/484033477.db2.gz ALDUODPTYIXVBW-CABCVRRESA-N 0 3 357.414 -0.123 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3cccc(N4CCC4=O)c3)CCN2C1=O ZINC000563727982 484033996 /nfs/dbraw/zinc/03/39/96/484033996.db2.gz ALDUODPTYIXVBW-GJZGRUSLSA-N 0 3 357.414 -0.123 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(N4CCC4=O)c3)CCN2C1=O ZINC000563727984 484034097 /nfs/dbraw/zinc/03/40/97/484034097.db2.gz ALDUODPTYIXVBW-HUUCEWRRSA-N 0 3 357.414 -0.123 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3cccc(N4CCC4=O)c3)CCN2C1=O ZINC000563727986 484032782 /nfs/dbraw/zinc/03/27/82/484032782.db2.gz ALDUODPTYIXVBW-LSDHHAIUSA-N 0 3 357.414 -0.123 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)CCCC4)CCN2C1=O ZINC000563732237 484035086 /nfs/dbraw/zinc/03/50/86/484035086.db2.gz NMSSETWASBPEHP-KBPBESRZSA-N 0 3 357.414 -0.331 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)CCCC4)CCN2C1=O ZINC000563732265 484035047 /nfs/dbraw/zinc/03/50/47/484035047.db2.gz NMSSETWASBPEHP-KGLIPLIRSA-N 0 3 357.414 -0.331 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)CCCC4)CCN2C1=O ZINC000563732266 484035188 /nfs/dbraw/zinc/03/51/88/484035188.db2.gz NMSSETWASBPEHP-UONOGXRCSA-N 0 3 357.414 -0.331 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)CCCC4)CCN2C1=O ZINC000563732267 484035131 /nfs/dbraw/zinc/03/51/31/484035131.db2.gz NMSSETWASBPEHP-ZIAGYGMSSA-N 0 3 357.414 -0.331 20 0 FBADHN NS(=O)(=O)CCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000563742386 484038904 /nfs/dbraw/zinc/03/89/04/484038904.db2.gz PATMHXXTRNECAD-INIZCTEOSA-N 0 3 355.460 -0.192 20 0 FBADHN NS(=O)(=O)CCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000563742393 484038953 /nfs/dbraw/zinc/03/89/53/484038953.db2.gz PATMHXXTRNECAD-MRXNPFEDSA-N 0 3 355.460 -0.192 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000563744425 484039654 /nfs/dbraw/zinc/03/96/54/484039654.db2.gz QUUPHVXIMQWPGE-UHFFFAOYSA-N 0 3 352.435 -0.382 20 0 FBADHN CC1(C)NC(=O)N(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1=O ZINC000563759439 484040969 /nfs/dbraw/zinc/04/09/69/484040969.db2.gz PDNMRBGZDJBEBS-OAHLLOKOSA-N 0 3 374.441 -0.148 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000563762987 484041072 /nfs/dbraw/zinc/04/10/72/484041072.db2.gz VAGXBPYNKKDMKI-AWEZNQCLSA-N 0 3 366.466 -0.801 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000563762992 484042483 /nfs/dbraw/zinc/04/24/83/484042483.db2.gz VAGXBPYNKKDMKI-CQSZACIVSA-N 0 3 366.466 -0.801 20 0 FBADHN CN1CC[C@]2(CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)C2)C1 ZINC000563764131 484044326 /nfs/dbraw/zinc/04/43/26/484044326.db2.gz ANTGUVYCVIICRB-HNNXBMFYSA-N 0 3 371.463 -0.169 20 0 FBADHN CN1CC[C@@]2(CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)C2)C1 ZINC000563764134 484044203 /nfs/dbraw/zinc/04/42/03/484044203.db2.gz ANTGUVYCVIICRB-OAHLLOKOSA-N 0 3 371.463 -0.169 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2cnn(C)c2C)CC1=O ZINC000563776449 484044262 /nfs/dbraw/zinc/04/42/62/484044262.db2.gz AGEKFPYHXLSERI-INIZCTEOSA-N 0 3 365.478 -0.044 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2cnn(C)c2C)CC1=O ZINC000563776450 484044724 /nfs/dbraw/zinc/04/47/24/484044724.db2.gz AGEKFPYHXLSERI-MRXNPFEDSA-N 0 3 365.478 -0.044 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3COCCO3)n2C)CC1 ZINC000563781319 484045772 /nfs/dbraw/zinc/04/57/72/484045772.db2.gz LRECZBFMQINNTK-KBPBESRZSA-N 0 3 364.450 -0.354 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3COCCO3)n2C)CC1 ZINC000563781320 484046740 /nfs/dbraw/zinc/04/67/40/484046740.db2.gz LRECZBFMQINNTK-KGLIPLIRSA-N 0 3 364.450 -0.354 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3COCCO3)n2C)CC1 ZINC000563781321 484045913 /nfs/dbraw/zinc/04/59/13/484045913.db2.gz LRECZBFMQINNTK-UONOGXRCSA-N 0 3 364.450 -0.354 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3COCCO3)n2C)CC1 ZINC000563781322 484046009 /nfs/dbraw/zinc/04/60/09/484046009.db2.gz LRECZBFMQINNTK-ZIAGYGMSSA-N 0 3 364.450 -0.354 20 0 FBADHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000563790379 484048926 /nfs/dbraw/zinc/04/89/26/484048926.db2.gz ZTRQBBGQLJMAEC-GFCCVEGCSA-N 0 3 352.439 -0.245 20 0 FBADHN CCN1CCN(C[C@@H](C)CNCc2nccn2S(=O)(=O)N(C)C)CC1 ZINC000563790576 484048126 /nfs/dbraw/zinc/04/81/26/484048126.db2.gz JOGJMIQNBFIXQK-HNNXBMFYSA-N 0 3 372.539 -0.099 20 0 FBADHN CCN1CCN(C[C@H](C)CNCc2nccn2S(=O)(=O)N(C)C)CC1 ZINC000563790586 484048722 /nfs/dbraw/zinc/04/87/22/484048722.db2.gz JOGJMIQNBFIXQK-OAHLLOKOSA-N 0 3 372.539 -0.099 20 0 FBADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000563804444 484050998 /nfs/dbraw/zinc/05/09/98/484050998.db2.gz IYJAPQUNHNFKPZ-DOTOQJQBSA-N 0 3 374.489 -0.612 20 0 FBADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000563804445 484049722 /nfs/dbraw/zinc/04/97/22/484049722.db2.gz IYJAPQUNHNFKPZ-NVXWUHKLSA-N 0 3 374.489 -0.612 20 0 FBADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000563804446 484050239 /nfs/dbraw/zinc/05/02/39/484050239.db2.gz IYJAPQUNHNFKPZ-RDJZCZTQSA-N 0 3 374.489 -0.612 20 0 FBADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000563804447 484050367 /nfs/dbraw/zinc/05/03/67/484050367.db2.gz IYJAPQUNHNFKPZ-WBVHZDCISA-N 0 3 374.489 -0.612 20 0 FBADHN COc1cccc(C[C@@H](C(=O)NC[C@H]2CNCCO2)n2nnnc2C)c1 ZINC000563805056 484049534 /nfs/dbraw/zinc/04/95/34/484049534.db2.gz PDXOWPXNBBUTOO-CVEARBPZSA-N 0 3 360.418 -0.121 20 0 FBADHN COc1cccc(C[C@@H](C(=O)NC[C@@H]2CNCCO2)n2nnnc2C)c1 ZINC000563805057 484050310 /nfs/dbraw/zinc/05/03/10/484050310.db2.gz PDXOWPXNBBUTOO-HOTGVXAUSA-N 0 3 360.418 -0.121 20 0 FBADHN COc1cccc(C[C@H](C(=O)NC[C@H]2CNCCO2)n2nnnc2C)c1 ZINC000563805058 484050395 /nfs/dbraw/zinc/05/03/95/484050395.db2.gz PDXOWPXNBBUTOO-HZPDHXFCSA-N 0 3 360.418 -0.121 20 0 FBADHN COc1cccc(C[C@H](C(=O)NC[C@@H]2CNCCO2)n2nnnc2C)c1 ZINC000563805059 484049901 /nfs/dbraw/zinc/04/99/01/484049901.db2.gz PDXOWPXNBBUTOO-JKSUJKDBSA-N 0 3 360.418 -0.121 20 0 FBADHN Cc1cc(NC(=O)CCNCCS(=O)(=O)N2CCSCC2)no1 ZINC000563805335 484290113 /nfs/dbraw/zinc/29/01/13/484290113.db2.gz DUMDKCIFPYJKSR-UHFFFAOYSA-N 0 3 362.477 0.280 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC[C@@H](O)CN2CCN(C)CC2)C1=O ZINC000563805461 484050834 /nfs/dbraw/zinc/05/08/34/484050834.db2.gz HCQXFSMSJUHHFL-CVEARBPZSA-N 0 3 364.494 -0.404 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC[C@H](O)CN2CCN(C)CC2)C1=O ZINC000563805462 484050426 /nfs/dbraw/zinc/05/04/26/484050426.db2.gz HCQXFSMSJUHHFL-HOTGVXAUSA-N 0 3 364.494 -0.404 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC[C@@H](O)CN2CCN(C)CC2)C1=O ZINC000563805463 484050921 /nfs/dbraw/zinc/05/09/21/484050921.db2.gz HCQXFSMSJUHHFL-HZPDHXFCSA-N 0 3 364.494 -0.404 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC[C@H](O)CN2CCN(C)CC2)C1=O ZINC000563805464 484050754 /nfs/dbraw/zinc/05/07/54/484050754.db2.gz HCQXFSMSJUHHFL-JKSUJKDBSA-N 0 3 364.494 -0.404 20 0 FBADHN NC[C@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000563808411 484051817 /nfs/dbraw/zinc/05/18/17/484051817.db2.gz RMSVTHPPULZEHE-HNNXBMFYSA-N 0 3 372.425 -0.451 20 0 FBADHN NC[C@@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000563808412 484052790 /nfs/dbraw/zinc/05/27/90/484052790.db2.gz RMSVTHPPULZEHE-OAHLLOKOSA-N 0 3 372.425 -0.451 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CSc3ccccc3O2)[C@H](CN)C1 ZINC000563810381 484050764 /nfs/dbraw/zinc/05/07/64/484050764.db2.gz GRCPARRHUXGFRR-CHWSQXEVSA-N 0 3 364.471 -0.243 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@H]2CSc3ccccc3O2)[C@H](CN)C1 ZINC000563810382 484050097 /nfs/dbraw/zinc/05/00/97/484050097.db2.gz GRCPARRHUXGFRR-OLZOCXBDSA-N 0 3 364.471 -0.243 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CSc3ccccc3O2)[C@@H](CN)C1 ZINC000563810383 484050816 /nfs/dbraw/zinc/05/08/16/484050816.db2.gz GRCPARRHUXGFRR-QWHCGFSZSA-N 0 3 364.471 -0.243 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@H]2CSc3ccccc3O2)[C@@H](CN)C1 ZINC000563810384 484050542 /nfs/dbraw/zinc/05/05/42/484050542.db2.gz GRCPARRHUXGFRR-STQMWFEESA-N 0 3 364.471 -0.243 20 0 FBADHN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N[C@@H]1CNCCC1(F)F ZINC000563811939 484051764 /nfs/dbraw/zinc/05/17/64/484051764.db2.gz NYNYCVBXTYLRIO-LLVKDONJSA-N 0 3 373.385 -0.045 20 0 FBADHN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N[C@H]1CNCCC1(F)F ZINC000563811940 484051835 /nfs/dbraw/zinc/05/18/35/484051835.db2.gz NYNYCVBXTYLRIO-NSHDSACASA-N 0 3 373.385 -0.045 20 0 FBADHN CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CN(CC)CC)CCN1C ZINC000563816980 484052283 /nfs/dbraw/zinc/05/22/83/484052283.db2.gz TVOLMNNBUSXWNS-INIZCTEOSA-N 0 3 355.527 -0.071 20 0 FBADHN CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CN(CC)CC)CCN1C ZINC000563816985 484052591 /nfs/dbraw/zinc/05/25/91/484052591.db2.gz TVOLMNNBUSXWNS-MRXNPFEDSA-N 0 3 355.527 -0.071 20 0 FBADHN O=C(CCCS(=O)(=O)N1CCCC1)NC[C@]1(O)CN2CCC1CC2 ZINC000563819473 484051570 /nfs/dbraw/zinc/05/15/70/484051570.db2.gz LIIMBUAJSAZCIM-INIZCTEOSA-N 0 3 359.492 -0.235 20 0 FBADHN O=C(CCCS(=O)(=O)N1CCCC1)NC[C@@]1(O)CN2CCC1CC2 ZINC000563819474 484052616 /nfs/dbraw/zinc/05/26/16/484052616.db2.gz LIIMBUAJSAZCIM-MRXNPFEDSA-N 0 3 359.492 -0.235 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(=O)N1Cc2ccccc2C1 ZINC000563821208 484055137 /nfs/dbraw/zinc/05/51/37/484055137.db2.gz HNXJIOOKNWGHMD-APHBMKBZSA-N 0 3 371.441 -0.129 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(=O)N1Cc2ccccc2C1 ZINC000563821209 484054698 /nfs/dbraw/zinc/05/46/98/484054698.db2.gz HNXJIOOKNWGHMD-MAZHCROVSA-N 0 3 371.441 -0.129 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(=O)N1Cc2ccccc2C1 ZINC000563821210 484054446 /nfs/dbraw/zinc/05/44/46/484054446.db2.gz HNXJIOOKNWGHMD-RCBQFDQVSA-N 0 3 371.441 -0.129 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(=O)N1Cc2ccccc2C1 ZINC000563821211 484054859 /nfs/dbraw/zinc/05/48/59/484054859.db2.gz HNXJIOOKNWGHMD-VBNZEHGJSA-N 0 3 371.441 -0.129 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CCN2C1=O ZINC000563823218 484054090 /nfs/dbraw/zinc/05/40/90/484054090.db2.gz NLFSUZANUZTOAO-BFHYXJOUSA-N 0 3 359.434 -0.601 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CCN2C1=O ZINC000563823219 484054415 /nfs/dbraw/zinc/05/44/15/484054415.db2.gz NLFSUZANUZTOAO-HZSPNIEDSA-N 0 3 359.434 -0.601 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CCN2C1=O ZINC000563823220 484054795 /nfs/dbraw/zinc/05/47/95/484054795.db2.gz NLFSUZANUZTOAO-MELADBBJSA-N 0 3 359.434 -0.601 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CCN2C1=O ZINC000563823221 484054572 /nfs/dbraw/zinc/05/45/72/484054572.db2.gz NLFSUZANUZTOAO-MGPQQGTHSA-N 0 3 359.434 -0.601 20 0 FBADHN C[C@]1(C(N)=O)CCN(C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000563833732 484056140 /nfs/dbraw/zinc/05/61/40/484056140.db2.gz UPSKFNHURRQHMS-KRWDZBQOSA-N 0 3 353.467 -0.115 20 0 FBADHN C[C@@]1(C(N)=O)CCN(C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000563833733 484056107 /nfs/dbraw/zinc/05/61/07/484056107.db2.gz UPSKFNHURRQHMS-QGZVFWFLSA-N 0 3 353.467 -0.115 20 0 FBADHN CN(C)C1CN(C(=O)c2cc(S(=O)(=O)N3CC(N(C)C)C3)c[nH]2)C1 ZINC000563836357 484058620 /nfs/dbraw/zinc/05/86/20/484058620.db2.gz QYMKYYVDQDSHJM-UHFFFAOYSA-N 0 3 355.464 -0.665 20 0 FBADHN COc1cc(NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)nn1C ZINC000563854994 484063867 /nfs/dbraw/zinc/06/38/67/484063867.db2.gz VNFIZWKNAFASQY-GFCCVEGCSA-N 0 3 353.423 -0.016 20 0 FBADHN COc1cc(NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)nn1C ZINC000563854995 484063785 /nfs/dbraw/zinc/06/37/85/484063785.db2.gz VNFIZWKNAFASQY-LBPRGKRZSA-N 0 3 353.423 -0.016 20 0 FBADHN CC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000563876827 484075207 /nfs/dbraw/zinc/07/52/07/484075207.db2.gz MINWNEPCNQWSQE-CRAIPNDOSA-N 0 3 354.495 -0.250 20 0 FBADHN CC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000563876828 484075555 /nfs/dbraw/zinc/07/55/55/484075555.db2.gz MINWNEPCNQWSQE-MAUKXSAKSA-N 0 3 354.495 -0.250 20 0 FBADHN CC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000563876829 484075528 /nfs/dbraw/zinc/07/55/28/484075528.db2.gz MINWNEPCNQWSQE-QAPCUYQASA-N 0 3 354.495 -0.250 20 0 FBADHN CC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000563876830 484074482 /nfs/dbraw/zinc/07/44/82/484074482.db2.gz MINWNEPCNQWSQE-YJBOKZPZSA-N 0 3 354.495 -0.250 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CNC(=O)COc3ccccc3)C[C@H]2N)cn1 ZINC000563880359 484079626 /nfs/dbraw/zinc/07/96/26/484079626.db2.gz UKFBFYOGHNZDHS-JKSUJKDBSA-N 0 3 357.414 -0.132 20 0 FBADHN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCC(=O)N1CCNCC1 ZINC000563884394 484081780 /nfs/dbraw/zinc/08/17/80/484081780.db2.gz OZJHVUOYKULFIA-KRWDZBQOSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCC(=O)N1CCNCC1 ZINC000563884395 484080660 /nfs/dbraw/zinc/08/06/60/484080660.db2.gz OZJHVUOYKULFIA-QGZVFWFLSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1CNCCO1 ZINC000563885569 484082943 /nfs/dbraw/zinc/08/29/43/484082943.db2.gz BJKVXMWBZSGRSQ-CXAGYDPISA-N 0 3 372.425 -0.433 20 0 FBADHN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1CNCCO1 ZINC000563885570 484083075 /nfs/dbraw/zinc/08/30/75/484083075.db2.gz BJKVXMWBZSGRSQ-DYVFJYSZSA-N 0 3 372.425 -0.433 20 0 FBADHN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1CNCCO1 ZINC000563885571 484082790 /nfs/dbraw/zinc/08/27/90/484082790.db2.gz BJKVXMWBZSGRSQ-GUYCJALGSA-N 0 3 372.425 -0.433 20 0 FBADHN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1CNCCO1 ZINC000563885572 484082573 /nfs/dbraw/zinc/08/25/73/484082573.db2.gz BJKVXMWBZSGRSQ-SUMWQHHRSA-N 0 3 372.425 -0.433 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NC(=O)NCc3cccs3)CCN2C1=O ZINC000563899443 484199570 /nfs/dbraw/zinc/19/95/70/484199570.db2.gz WISSGOBTENJZHB-CMPLNLGQSA-N 0 3 351.432 -0.682 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)NC(=O)NCc3cccs3)CCN2C1=O ZINC000563899444 484200022 /nfs/dbraw/zinc/20/00/22/484200022.db2.gz WISSGOBTENJZHB-JQWIXIFHSA-N 0 3 351.432 -0.682 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)NC(=O)NCc3cccs3)CCN2C1=O ZINC000563899445 484200093 /nfs/dbraw/zinc/20/00/93/484200093.db2.gz WISSGOBTENJZHB-PWSUYJOCSA-N 0 3 351.432 -0.682 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC(=O)NCc3cccs3)CCN2C1=O ZINC000563899446 484199648 /nfs/dbraw/zinc/19/96/48/484199648.db2.gz WISSGOBTENJZHB-ZYHUDNBSSA-N 0 3 351.432 -0.682 20 0 FBADHN CNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCCN(C)C)CC1 ZINC000563902251 484317568 /nfs/dbraw/zinc/31/75/68/484317568.db2.gz SHKBPCJRWZXNKD-UHFFFAOYSA-N 0 3 370.475 -0.151 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)[C@H](CN)C1 ZINC000563950851 484533974 /nfs/dbraw/zinc/53/39/74/484533974.db2.gz CPVQSLRATGISEI-NEPJUHHUSA-N 0 3 366.384 -0.342 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)[C@@H](CN)C1 ZINC000563950854 484533884 /nfs/dbraw/zinc/53/38/84/484533884.db2.gz CPVQSLRATGISEI-NWDGAFQWSA-N 0 3 366.384 -0.342 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)[C@@H](CN)C1 ZINC000563950856 484534362 /nfs/dbraw/zinc/53/43/62/484534362.db2.gz CPVQSLRATGISEI-RYUDHWBXSA-N 0 3 366.384 -0.342 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)[C@H](CN)C1 ZINC000563950857 484534532 /nfs/dbraw/zinc/53/45/32/484534532.db2.gz CPVQSLRATGISEI-VXGBXAGGSA-N 0 3 366.384 -0.342 20 0 FBADHN CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1=O ZINC000563951635 484535431 /nfs/dbraw/zinc/53/54/31/484535431.db2.gz DELVUZPELQITGH-QWHCGFSZSA-N 0 3 362.434 -0.216 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)NCc1ccccc1S(N)(=O)=O ZINC000563958127 484535870 /nfs/dbraw/zinc/53/58/70/484535870.db2.gz SDCSDSCHJOWUKN-UHFFFAOYSA-N 0 3 371.507 -0.031 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000563967331 484535474 /nfs/dbraw/zinc/53/54/74/484535474.db2.gz TZVQIIMSJKHHMU-UHFFFAOYSA-N 0 3 357.414 -0.137 20 0 FBADHN NC(=O)C[C@@H]1COCCN1CCCCCN1CCOC[C@@H]1CC(N)=O ZINC000563971308 484536044 /nfs/dbraw/zinc/53/60/44/484536044.db2.gz OSGSJNWKLKMEGS-GASCZTMLSA-N 0 3 356.467 -0.691 20 0 FBADHN NC(=O)C[C@H]1COCCN1CCCCCN1CCOC[C@@H]1CC(N)=O ZINC000563971315 484535378 /nfs/dbraw/zinc/53/53/78/484535378.db2.gz OSGSJNWKLKMEGS-GJZGRUSLSA-N 0 3 356.467 -0.691 20 0 FBADHN NC(=O)C[C@@H]1COCCN1CCCCCN1CCOC[C@H]1CC(N)=O ZINC000563971316 484535327 /nfs/dbraw/zinc/53/53/27/484535327.db2.gz OSGSJNWKLKMEGS-HUUCEWRRSA-N 0 3 356.467 -0.691 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C(N)=O ZINC000563974938 484538113 /nfs/dbraw/zinc/53/81/13/484538113.db2.gz DTHFOAPHEMORDZ-GWCFXTLKSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C(N)=O ZINC000563974939 484537344 /nfs/dbraw/zinc/53/73/44/484537344.db2.gz DTHFOAPHEMORDZ-GXFFZTMASA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C(N)=O ZINC000563974940 484537245 /nfs/dbraw/zinc/53/72/45/484537245.db2.gz DTHFOAPHEMORDZ-MFKMUULPSA-N 0 3 352.416 -0.974 20 0 FBADHN 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/nfs/dbraw/zinc/76/36/25/483763625.db2.gz VLBOLVHYZQKPQP-LBPRGKRZSA-N 0 3 350.423 -0.876 20 0 FBADHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000564469746 483800268 /nfs/dbraw/zinc/80/02/68/483800268.db2.gz BLGNYIHAGQHGID-SHPPOPEUSA-N 0 3 356.426 -0.194 20 0 FBADHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000564469747 483800077 /nfs/dbraw/zinc/80/00/77/483800077.db2.gz BLGNYIHAGQHGID-UIBBOPPKSA-N 0 3 356.426 -0.194 20 0 FBADHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000564469748 483800327 /nfs/dbraw/zinc/80/03/27/483800327.db2.gz BLGNYIHAGQHGID-WXYCVUISSA-N 0 3 356.426 -0.194 20 0 FBADHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000564469749 483800322 /nfs/dbraw/zinc/80/03/22/483800322.db2.gz BLGNYIHAGQHGID-XABYNWHXSA-N 0 3 356.426 -0.194 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCN2C1=O ZINC000564470593 483800860 /nfs/dbraw/zinc/80/08/60/483800860.db2.gz JFTQDEMXOCXQIH-GHMZBOCLSA-N 0 3 369.219 -0.619 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCN2C1=O ZINC000564470598 483801139 /nfs/dbraw/zinc/80/11/39/483801139.db2.gz JFTQDEMXOCXQIH-MNOVXSKESA-N 0 3 369.219 -0.619 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCN2C1=O ZINC000564470600 483800706 /nfs/dbraw/zinc/80/07/06/483800706.db2.gz JFTQDEMXOCXQIH-QWRGUYRKSA-N 0 3 369.219 -0.619 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCN2C1=O ZINC000564470601 483801029 /nfs/dbraw/zinc/80/10/29/483801029.db2.gz JFTQDEMXOCXQIH-WDEREUQCSA-N 0 3 369.219 -0.619 20 0 FBADHN CCN1CCN(CCC(=O)NCC(C)(C)N2CCS(=O)CC2)CC1 ZINC000564485367 485151426 /nfs/dbraw/zinc/15/14/26/485151426.db2.gz CAFRMSABHQBAIE-UHFFFAOYSA-N 0 3 358.552 -0.027 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000564486700 485151339 /nfs/dbraw/zinc/15/13/39/485151339.db2.gz GWKAFTHLKNOJSK-AWEZNQCLSA-N 0 3 370.494 -0.118 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000564486712 485151048 /nfs/dbraw/zinc/15/10/48/485151048.db2.gz GWKAFTHLKNOJSK-CQSZACIVSA-N 0 3 370.494 -0.118 20 0 FBADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000564536445 485152290 /nfs/dbraw/zinc/15/22/90/485152290.db2.gz GSPCZJRLOGEHSQ-CABCVRRESA-N 0 3 373.523 -0.847 20 0 FBADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000564536447 485152379 /nfs/dbraw/zinc/15/23/79/485152379.db2.gz GSPCZJRLOGEHSQ-GJZGRUSLSA-N 0 3 373.523 -0.847 20 0 FBADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000564536449 485152184 /nfs/dbraw/zinc/15/21/84/485152184.db2.gz GSPCZJRLOGEHSQ-HUUCEWRRSA-N 0 3 373.523 -0.847 20 0 FBADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000564536450 485152101 /nfs/dbraw/zinc/15/21/01/485152101.db2.gz GSPCZJRLOGEHSQ-LSDHHAIUSA-N 0 3 373.523 -0.847 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000564543482 485152540 /nfs/dbraw/zinc/15/25/40/485152540.db2.gz SAWZMHUKIFPBCB-INIZCTEOSA-N 0 3 351.495 -0.589 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000564543483 485152311 /nfs/dbraw/zinc/15/23/11/485152311.db2.gz SAWZMHUKIFPBCB-MRXNPFEDSA-N 0 3 351.495 -0.589 20 0 FBADHN O=C(NC1CNC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000564552881 485152368 /nfs/dbraw/zinc/15/23/68/485152368.db2.gz QLELUTXFJLVSLS-GFCCVEGCSA-N 0 3 354.769 -0.211 20 0 FBADHN O=C(NC1CNC1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000564552894 485152408 /nfs/dbraw/zinc/15/24/08/485152408.db2.gz QLELUTXFJLVSLS-LBPRGKRZSA-N 0 3 354.769 -0.211 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1OC ZINC000564553622 485152021 /nfs/dbraw/zinc/15/20/21/485152021.db2.gz OSHXDRKFILJMDN-CYBMUJFWSA-N 0 3 350.419 -0.579 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1OC ZINC000564553628 485152194 /nfs/dbraw/zinc/15/21/94/485152194.db2.gz OSHXDRKFILJMDN-ZDUSSCGKSA-N 0 3 350.419 -0.579 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC1([S@@](C)=O)CCC1)CN1CCN(C)CC1 ZINC000564555012 485152388 /nfs/dbraw/zinc/15/23/88/485152388.db2.gz WPAVVNUSZNMMDR-DLUDVSRJSA-N 0 3 372.535 -0.597 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC1([S@@](C)=O)CCC1)CN1CCN(C)CC1 ZINC000564555014 485152358 /nfs/dbraw/zinc/15/23/58/485152358.db2.gz WPAVVNUSZNMMDR-HWRSSNJWSA-N 0 3 372.535 -0.597 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC1([S@](C)=O)CCC1)CN1CCN(C)CC1 ZINC000564555015 485151872 /nfs/dbraw/zinc/15/18/72/485151872.db2.gz WPAVVNUSZNMMDR-PWECECGKSA-N 0 3 372.535 -0.597 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC1([S@](C)=O)CCC1)CN1CCN(C)CC1 ZINC000564555016 485152227 /nfs/dbraw/zinc/15/22/27/485152227.db2.gz WPAVVNUSZNMMDR-SXBQZSJRSA-N 0 3 372.535 -0.597 20 0 FBADHN CN(CC(=O)Nc1ccc(N2CCNCC2)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000564567997 485153252 /nfs/dbraw/zinc/15/32/52/485153252.db2.gz VEOSODIUZMDIGS-AWEZNQCLSA-N 0 3 367.475 -0.451 20 0 FBADHN CN(CC(=O)Nc1ccc(N2CCNCC2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000564568006 485153000 /nfs/dbraw/zinc/15/30/00/485153000.db2.gz VEOSODIUZMDIGS-CQSZACIVSA-N 0 3 367.475 -0.451 20 0 FBADHN CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000564569311 483487867 /nfs/dbraw/zinc/48/78/67/483487867.db2.gz YHYCCNHJRRPHMD-CMPLNLGQSA-N 0 3 363.386 -0.264 20 0 FBADHN [NH3+]CCn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC000564587108 485153395 /nfs/dbraw/zinc/15/33/95/485153395.db2.gz UUUWLICHZFWZPE-UHFFFAOYSA-N 0 3 374.373 -0.777 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000564588576 485153432 /nfs/dbraw/zinc/15/34/32/485153432.db2.gz HIWKQLZXBYDAJI-UHFFFAOYSA-N 0 3 350.467 -0.479 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c(F)cc1F ZINC000564599737 483668562 /nfs/dbraw/zinc/66/85/62/483668562.db2.gz UVPPLCLLEGLQDJ-INIZCTEOSA-N 0 3 371.340 -0.127 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c(F)cc1F ZINC000564599738 483668915 /nfs/dbraw/zinc/66/89/15/483668915.db2.gz UVPPLCLLEGLQDJ-MRXNPFEDSA-N 0 3 371.340 -0.127 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCS(=O)(=O)N(C)C ZINC000564611248 485153499 /nfs/dbraw/zinc/15/34/99/485153499.db2.gz XXYNNEPYTDQSNJ-ZDUSSCGKSA-N 0 3 362.496 -0.228 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)n2)CC1 ZINC000564624871 484138172 /nfs/dbraw/zinc/13/81/72/484138172.db2.gz KFVDJSPEJKKGLY-CHWSQXEVSA-N 0 3 350.423 0.304 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)n2)CC1 ZINC000564624872 484139043 /nfs/dbraw/zinc/13/90/43/484139043.db2.gz KFVDJSPEJKKGLY-OLZOCXBDSA-N 0 3 350.423 0.304 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)n2)CC1 ZINC000564624873 484138066 /nfs/dbraw/zinc/13/80/66/484138066.db2.gz KFVDJSPEJKKGLY-QWHCGFSZSA-N 0 3 350.423 0.304 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)n2)CC1 ZINC000564624874 484138288 /nfs/dbraw/zinc/13/82/88/484138288.db2.gz KFVDJSPEJKKGLY-STQMWFEESA-N 0 3 350.423 0.304 20 0 FBADHN CC(=O)c1ccc(OC[C@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000564656677 483801646 /nfs/dbraw/zinc/80/16/46/483801646.db2.gz MPUCQUJJHCJWPA-IAGOWNOFSA-N 0 3 352.431 -0.088 20 0 FBADHN CC(=O)c1ccc(OC[C@@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000564656679 483801415 /nfs/dbraw/zinc/80/14/15/483801415.db2.gz MPUCQUJJHCJWPA-SJORKVTESA-N 0 3 352.431 -0.088 20 0 FBADHN COC(=O)CCOc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000564659969 483842892 /nfs/dbraw/zinc/84/28/92/483842892.db2.gz COICOPHKHGYDRF-CYBMUJFWSA-N 0 3 371.459 -0.108 20 0 FBADHN COC(=O)CCOc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000564659970 483842903 /nfs/dbraw/zinc/84/29/03/483842903.db2.gz COICOPHKHGYDRF-ZDUSSCGKSA-N 0 3 371.459 -0.108 20 0 FBADHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000564662180 483844366 /nfs/dbraw/zinc/84/43/66/483844366.db2.gz QKFDHVZMBYASDH-GFCCVEGCSA-N 0 3 365.434 -0.491 20 0 FBADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1(C)C ZINC000564669299 485154448 /nfs/dbraw/zinc/15/44/48/485154448.db2.gz DRCJAMPEGCJLAL-RFQIPJPRSA-N 0 3 366.462 -0.535 20 0 FBADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1(C)C ZINC000564669300 485154109 /nfs/dbraw/zinc/15/41/09/485154109.db2.gz DRCJAMPEGCJLAL-XDQVBPFNSA-N 0 3 366.462 -0.535 20 0 FBADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1(C)C ZINC000564669301 485154356 /nfs/dbraw/zinc/15/43/56/485154356.db2.gz DRCJAMPEGCJLAL-YIYPIFLZSA-N 0 3 366.462 -0.535 20 0 FBADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1(C)C ZINC000564669302 483860302 /nfs/dbraw/zinc/86/03/02/483860302.db2.gz DRCJAMPEGCJLAL-ZOBORPQBSA-N 0 3 366.462 -0.535 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nn1[C@@H](C)C1CC1 ZINC000564669372 484247369 /nfs/dbraw/zinc/24/73/69/484247369.db2.gz IJAMMAGXOZQUMC-FPMFFAJLSA-N 0 3 374.445 -0.129 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nn1[C@@H](C)C1CC1 ZINC000564669373 484247816 /nfs/dbraw/zinc/24/78/16/484247816.db2.gz IJAMMAGXOZQUMC-IACUBPJLSA-N 0 3 374.445 -0.129 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nn1[C@H](C)C1CC1 ZINC000564669374 484248290 /nfs/dbraw/zinc/24/82/90/484248290.db2.gz IJAMMAGXOZQUMC-KWCYVHTRSA-N 0 3 374.445 -0.129 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nn1[C@H](C)C1CC1 ZINC000564669375 484247653 /nfs/dbraw/zinc/24/76/53/484247653.db2.gz IJAMMAGXOZQUMC-MRVWCRGKSA-N 0 3 374.445 -0.129 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CCN2C1=O ZINC000564669571 485154322 /nfs/dbraw/zinc/15/43/22/485154322.db2.gz UCIXRIBFRVAADL-LBWNCTQTSA-N 0 3 368.437 -0.541 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)CCN2C1=O ZINC000564669572 485154642 /nfs/dbraw/zinc/15/46/42/485154642.db2.gz UCIXRIBFRVAADL-LMHBHQSJSA-N 0 3 368.437 -0.541 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000564682332 485155663 /nfs/dbraw/zinc/15/56/63/485155663.db2.gz ZRZPCCOFHACIDA-UHFFFAOYSA-N 0 3 356.467 -0.996 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cn1C ZINC000564702623 485155573 /nfs/dbraw/zinc/15/55/73/485155573.db2.gz XNYPCRHBCYECNQ-UHFFFAOYSA-N 0 3 367.450 -0.298 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cn1C ZINC000564706397 483896113 /nfs/dbraw/zinc/89/61/13/483896113.db2.gz UXWWDNCKXRJQKL-GFCCVEGCSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)C[C@H](C)C2)cn1C ZINC000564706398 483895875 /nfs/dbraw/zinc/89/58/75/483895875.db2.gz UXWWDNCKXRJQKL-LBPRGKRZSA-N 0 3 369.491 -0.050 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC000564721818 483931925 /nfs/dbraw/zinc/93/19/25/483931925.db2.gz ANEACCUJSINIER-KBPBESRZSA-N 0 3 351.455 -0.230 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC000564721819 483930447 /nfs/dbraw/zinc/93/04/47/483930447.db2.gz ANEACCUJSINIER-KGLIPLIRSA-N 0 3 351.455 -0.230 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC000564721820 483931518 /nfs/dbraw/zinc/93/15/18/483931518.db2.gz ANEACCUJSINIER-UONOGXRCSA-N 0 3 351.455 -0.230 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC000564721821 483931032 /nfs/dbraw/zinc/93/10/32/483931032.db2.gz ANEACCUJSINIER-ZIAGYGMSSA-N 0 3 351.455 -0.230 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)s1 ZINC000564726847 483959482 /nfs/dbraw/zinc/95/94/82/483959482.db2.gz QUEVIVRIZZURMI-UHFFFAOYSA-N 0 3 358.449 -0.474 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000564736468 483990499 /nfs/dbraw/zinc/99/04/99/483990499.db2.gz MHPFCNQGANIWQU-GJZGRUSLSA-N 0 3 369.443 -0.699 20 0 FBADHN C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)NCCN(C)C ZINC000564737764 483994001 /nfs/dbraw/zinc/99/40/01/483994001.db2.gz MOWYLNGYSLDDIX-AWEZNQCLSA-N 0 3 362.478 -0.371 20 0 FBADHN C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)NCCN(C)C ZINC000564737765 483993643 /nfs/dbraw/zinc/99/36/43/483993643.db2.gz MOWYLNGYSLDDIX-CQSZACIVSA-N 0 3 362.478 -0.371 20 0 FBADHN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000564739135 483994695 /nfs/dbraw/zinc/99/46/95/483994695.db2.gz BXAXLBPHOFBOFX-UHFFFAOYSA-N 0 3 362.434 -0.865 20 0 FBADHN CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000564739135 483994691 /nfs/dbraw/zinc/99/46/91/483994691.db2.gz BXAXLBPHOFBOFX-UHFFFAOYSA-N 0 3 362.434 -0.865 20 0 FBADHN Cc1ccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000564739574 483994142 /nfs/dbraw/zinc/99/41/42/483994142.db2.gz JXQSWXODOUBSAN-JKOKRWQUSA-N 0 3 364.471 -0.126 20 0 FBADHN Cc1ccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000564739575 483993777 /nfs/dbraw/zinc/99/37/77/483993777.db2.gz JXQSWXODOUBSAN-SUHUHFCYSA-N 0 3 364.471 -0.126 20 0 FBADHN Cc1ccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000564739576 483994831 /nfs/dbraw/zinc/99/48/31/483994831.db2.gz JXQSWXODOUBSAN-VHRBIJSZSA-N 0 3 364.471 -0.126 20 0 FBADHN Cc1ccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000564739577 483994714 /nfs/dbraw/zinc/99/47/14/483994714.db2.gz JXQSWXODOUBSAN-ZKYQVNSYSA-N 0 3 364.471 -0.126 20 0 FBADHN COC(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)oc1C ZINC000564739990 485156267 /nfs/dbraw/zinc/15/62/67/485156267.db2.gz MXJPOCWUMAQSMO-GWCFXTLKSA-N 0 3 350.375 -0.172 20 0 FBADHN COC(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)oc1C ZINC000564739993 485156531 /nfs/dbraw/zinc/15/65/31/485156531.db2.gz MXJPOCWUMAQSMO-GXFFZTMASA-N 0 3 350.375 -0.172 20 0 FBADHN COC(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)oc1C ZINC000564739994 485156662 /nfs/dbraw/zinc/15/66/62/485156662.db2.gz MXJPOCWUMAQSMO-MFKMUULPSA-N 0 3 350.375 -0.172 20 0 FBADHN COC(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)oc1C ZINC000564739995 485156938 /nfs/dbraw/zinc/15/69/38/485156938.db2.gz MXJPOCWUMAQSMO-ZWNOBZJWSA-N 0 3 350.375 -0.172 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000564751441 485156580 /nfs/dbraw/zinc/15/65/80/485156580.db2.gz YGTSOCGRFMGWOF-UHFFFAOYSA-N 0 3 367.494 -0.743 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCO)CC1 ZINC000564755704 485156918 /nfs/dbraw/zinc/15/69/18/485156918.db2.gz OPRUYVHQMJAUMY-JTQLQIEISA-N 0 3 362.370 -0.190 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCO)CC1 ZINC000564755705 485156746 /nfs/dbraw/zinc/15/67/46/485156746.db2.gz OPRUYVHQMJAUMY-SNVBAGLBSA-N 0 3 362.370 -0.190 20 0 FBADHN CCO[C@@H]1COC[C@H]1NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000564784653 485156684 /nfs/dbraw/zinc/15/66/84/485156684.db2.gz KEVHWLWGXUXILJ-HZPDHXFCSA-N 0 3 370.494 -0.114 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(c3cccs3)CC2)[C@H](CN)C1 ZINC000564827227 485158012 /nfs/dbraw/zinc/15/80/12/485158012.db2.gz JMDFJZHBOAMKET-CYBMUJFWSA-N 0 3 351.476 -0.502 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(c3cccs3)CC2)[C@@H](CN)C1 ZINC000564827228 485157974 /nfs/dbraw/zinc/15/79/74/485157974.db2.gz JMDFJZHBOAMKET-ZDUSSCGKSA-N 0 3 351.476 -0.502 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](CCc3ccccc3)C2)[C@H](CN)C1 ZINC000564827261 485157287 /nfs/dbraw/zinc/15/72/87/485157287.db2.gz OLQMWGLGDJTSEV-MSOLQXFVSA-N 0 3 374.485 -0.052 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](CCc3ccccc3)C2)[C@H](CN)C1 ZINC000564827262 485157609 /nfs/dbraw/zinc/15/76/09/485157609.db2.gz OLQMWGLGDJTSEV-QZTJIDSGSA-N 0 3 374.485 -0.052 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](CCc3ccccc3)C2)[C@@H](CN)C1 ZINC000564827263 485157694 /nfs/dbraw/zinc/15/76/94/485157694.db2.gz OLQMWGLGDJTSEV-ROUUACIJSA-N 0 3 374.485 -0.052 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](CCc3ccccc3)C2)[C@@H](CN)C1 ZINC000564827264 485157870 /nfs/dbraw/zinc/15/78/70/485157870.db2.gz OLQMWGLGDJTSEV-ZWKOTPCHSA-N 0 3 374.485 -0.052 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CCC(C)(C)C)CC2)[C@@H](CN)C1 ZINC000564827267 485157636 /nfs/dbraw/zinc/15/76/36/485157636.db2.gz SWRBANPCTUUMIR-HNNXBMFYSA-N 0 3 353.511 -0.332 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CCC(C)(C)C)CC2)[C@H](CN)C1 ZINC000564827268 485158001 /nfs/dbraw/zinc/15/80/01/485158001.db2.gz SWRBANPCTUUMIR-OAHLLOKOSA-N 0 3 353.511 -0.332 20 0 FBADHN Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)CC2)c1 ZINC000564827287 485157582 /nfs/dbraw/zinc/15/75/82/485157582.db2.gz WOPRWLDNAVUVGB-HNNXBMFYSA-N 0 3 360.462 -0.860 20 0 FBADHN Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)CC2)c1 ZINC000564827288 485158129 /nfs/dbraw/zinc/15/81/29/485158129.db2.gz WOPRWLDNAVUVGB-OAHLLOKOSA-N 0 3 360.462 -0.860 20 0 FBADHN C[C@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(=O)N1CCCCC1 ZINC000564832809 485159157 /nfs/dbraw/zinc/15/91/57/485159157.db2.gz NBOCBLWRZSTKBR-CWRNSKLLSA-N 0 3 362.478 -0.336 20 0 FBADHN C[C@@H](NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(=O)N1CCCCC1 ZINC000564832811 485158273 /nfs/dbraw/zinc/15/82/73/485158273.db2.gz NBOCBLWRZSTKBR-VNQPRFMTSA-N 0 3 362.478 -0.336 20 0 FBADHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CNCCO2)cc1 ZINC000564841559 485158327 /nfs/dbraw/zinc/15/83/27/485158327.db2.gz OAKXBGMFCRODFV-CYBMUJFWSA-N 0 3 369.443 -0.733 20 0 FBADHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000564841560 485158501 /nfs/dbraw/zinc/15/85/01/485158501.db2.gz OAKXBGMFCRODFV-ZDUSSCGKSA-N 0 3 369.443 -0.733 20 0 FBADHN Cc1cc(NC(=O)CCNCCNS(=O)(=O)Cc2ccon2)no1 ZINC000564847956 484288936 /nfs/dbraw/zinc/28/89/36/484288936.db2.gz JQHIQSNNJRGZKX-UHFFFAOYSA-N 0 3 357.392 0.009 20 0 FBADHN COc1ccc(-n2cc(CNC[C@H](O)CN3CCN(C)CC3)nn2)cc1 ZINC000564848173 485158554 /nfs/dbraw/zinc/15/85/54/485158554.db2.gz AMSDSJSLTJUVEL-KRWDZBQOSA-N 0 3 360.462 -0.026 20 0 FBADHN COc1ccc(-n2cc(CNC[C@@H](O)CN3CCN(C)CC3)nn2)cc1 ZINC000564848174 485159165 /nfs/dbraw/zinc/15/91/65/485159165.db2.gz AMSDSJSLTJUVEL-QGZVFWFLSA-N 0 3 360.462 -0.026 20 0 FBADHN COc1ccc(COC[C@H](O)CNC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000564850202 485159186 /nfs/dbraw/zinc/15/91/86/485159186.db2.gz VHMDXTNNTOVXJE-GDBMZVCRSA-N 0 3 359.444 -0.024 20 0 FBADHN COc1ccc(COC[C@@H](O)CNC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000564850203 485159085 /nfs/dbraw/zinc/15/90/85/485159085.db2.gz VHMDXTNNTOVXJE-GOEBONIOSA-N 0 3 359.444 -0.024 20 0 FBADHN COc1ccc(COC[C@@H](O)CNC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000564850204 485158369 /nfs/dbraw/zinc/15/83/69/485158369.db2.gz VHMDXTNNTOVXJE-HOCLYGCPSA-N 0 3 359.444 -0.024 20 0 FBADHN COc1ccc(COC[C@H](O)CNC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000564850205 485158677 /nfs/dbraw/zinc/15/86/77/485158677.db2.gz VHMDXTNNTOVXJE-ZBFHGGJFSA-N 0 3 359.444 -0.024 20 0 FBADHN O=C1C[C@H](NC[C@@H](O)CN2CCOCC2)CN1CCOc1ccccc1 ZINC000564853436 485159178 /nfs/dbraw/zinc/15/91/78/485159178.db2.gz DYGKURJVWORYLH-DLBZAZTESA-N 0 3 363.458 -0.051 20 0 FBADHN O=C1C[C@@H](NC[C@@H](O)CN2CCOCC2)CN1CCOc1ccccc1 ZINC000564853437 485159054 /nfs/dbraw/zinc/15/90/54/485159054.db2.gz DYGKURJVWORYLH-IAGOWNOFSA-N 0 3 363.458 -0.051 20 0 FBADHN O=C1C[C@H](NC[C@H](O)CN2CCOCC2)CN1CCOc1ccccc1 ZINC000564853438 485159308 /nfs/dbraw/zinc/15/93/08/485159308.db2.gz DYGKURJVWORYLH-IRXDYDNUSA-N 0 3 363.458 -0.051 20 0 FBADHN O=C1C[C@@H](NC[C@H](O)CN2CCOCC2)CN1CCOc1ccccc1 ZINC000564853439 485159378 /nfs/dbraw/zinc/15/93/78/485159378.db2.gz DYGKURJVWORYLH-SJORKVTESA-N 0 3 363.458 -0.051 20 0 FBADHN CN1CCN(C[C@H](O)CNCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000564856499 485158352 /nfs/dbraw/zinc/15/83/52/485158352.db2.gz MCKKRBOTALZMDE-GOSISDBHSA-N 0 3 367.538 -0.871 20 0 FBADHN CN1CCN(C[C@@H](O)CNCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000564856506 485159363 /nfs/dbraw/zinc/15/93/63/485159363.db2.gz MCKKRBOTALZMDE-SFHVURJKSA-N 0 3 367.538 -0.871 20 0 FBADHN COC[C@@H](C)OC[C@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000564856636 483689622 /nfs/dbraw/zinc/68/96/22/483689622.db2.gz MEVLUJHVGKVRGF-CHWSQXEVSA-N 0 3 356.510 -0.633 20 0 FBADHN COC[C@@H](C)OC[C@@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000564856637 483689345 /nfs/dbraw/zinc/68/93/45/483689345.db2.gz MEVLUJHVGKVRGF-OLZOCXBDSA-N 0 3 356.510 -0.633 20 0 FBADHN COC[C@H](C)OC[C@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000564856638 483689551 /nfs/dbraw/zinc/68/95/51/483689551.db2.gz MEVLUJHVGKVRGF-QWHCGFSZSA-N 0 3 356.510 -0.633 20 0 FBADHN COC[C@H](C)OC[C@@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000564856639 483689560 /nfs/dbraw/zinc/68/95/60/483689560.db2.gz MEVLUJHVGKVRGF-STQMWFEESA-N 0 3 356.510 -0.633 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CNC[C@H](O)CN2CCN(C)CC2)c1 ZINC000564870418 485159237 /nfs/dbraw/zinc/15/92/37/485159237.db2.gz AGNXKDAFZNDSBJ-INIZCTEOSA-N 0 3 370.519 -0.365 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CNC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000564870420 485158428 /nfs/dbraw/zinc/15/84/28/485158428.db2.gz AGNXKDAFZNDSBJ-MRXNPFEDSA-N 0 3 370.519 -0.365 20 0 FBADHN COC(=O)c1ccc(OC[C@@H](O)CNCCN2CCNC(=O)C2)cc1 ZINC000564874278 485159196 /nfs/dbraw/zinc/15/91/96/485159196.db2.gz YDPRFNWHCPCCGP-AWEZNQCLSA-N 0 3 351.403 -0.766 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CNCCN2CCNC(=O)C2)cc1 ZINC000564874279 485159274 /nfs/dbraw/zinc/15/92/74/485159274.db2.gz YDPRFNWHCPCCGP-CQSZACIVSA-N 0 3 351.403 -0.766 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000564888207 483721844 /nfs/dbraw/zinc/72/18/44/483721844.db2.gz UVVPKLBOGOWOOJ-CYBMUJFWSA-N 0 3 367.450 -0.671 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000564888208 483721840 /nfs/dbraw/zinc/72/18/40/483721840.db2.gz UVVPKLBOGOWOOJ-ZDUSSCGKSA-N 0 3 367.450 -0.671 20 0 FBADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000564905099 661732684 /nfs/dbraw/zinc/73/26/84/661732684.db2.gz IYAONLWOGNIVER-HNNXBMFYSA-N 0 3 359.492 -0.019 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000564905101 661732771 /nfs/dbraw/zinc/73/27/71/661732771.db2.gz IYAONLWOGNIVER-OAHLLOKOSA-N 0 3 359.492 -0.019 20 0 FBADHN [NH3+]CCCn1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nn1 ZINC000564909021 483749184 /nfs/dbraw/zinc/74/91/84/483749184.db2.gz HLPBWBKBWGEATH-UHFFFAOYSA-N 0 3 358.402 -0.069 20 0 FBADHN COCCNS(=O)(=O)c1ccc(CNC(=O)CCOC2CNC2)cc1 ZINC000564910588 485160336 /nfs/dbraw/zinc/16/03/36/485160336.db2.gz GDIVTVYOLSSJPA-UHFFFAOYSA-N 0 3 371.459 -0.394 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000564911190 485160280 /nfs/dbraw/zinc/16/02/80/485160280.db2.gz UVQDJPPHCIILLQ-CYBMUJFWSA-N 0 3 357.432 -0.166 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000564911193 485160263 /nfs/dbraw/zinc/16/02/63/485160263.db2.gz UVQDJPPHCIILLQ-ZDUSSCGKSA-N 0 3 357.432 -0.166 20 0 FBADHN O=C(CN1CCOCC1)N1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000564915475 485160004 /nfs/dbraw/zinc/16/00/04/485160004.db2.gz VPPNDIJXCSOYIN-GOSISDBHSA-N 0 3 372.469 -0.124 20 0 FBADHN O=C(CN1CCOCC1)N1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000564915476 485160270 /nfs/dbraw/zinc/16/02/70/485160270.db2.gz VPPNDIJXCSOYIN-SFHVURJKSA-N 0 3 372.469 -0.124 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000564916176 485159847 /nfs/dbraw/zinc/15/98/47/485159847.db2.gz SGCFBSATVIOSAQ-GFCCVEGCSA-N 0 3 357.432 -0.166 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000564916177 485160489 /nfs/dbraw/zinc/16/04/89/485160489.db2.gz SGCFBSATVIOSAQ-LBPRGKRZSA-N 0 3 357.432 -0.166 20 0 FBADHN COC(=O)C[C@H](N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000564922172 485160351 /nfs/dbraw/zinc/16/03/51/485160351.db2.gz VIEPWXVLVNYPCJ-AWEZNQCLSA-N 0 3 364.450 -0.615 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2C[C@H](OC)CN2)c1 ZINC000564922231 485159927 /nfs/dbraw/zinc/15/99/27/485159927.db2.gz LTVLVGBTOGBCIY-WCQYABFASA-N 0 3 370.431 -0.974 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCOC2CNC2)c1 ZINC000564922365 485159907 /nfs/dbraw/zinc/15/99/07/485159907.db2.gz ZUOMOQIXVQZFTH-UHFFFAOYSA-N 0 3 370.431 -0.972 20 0 FBADHN N[C@H](CC(F)F)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000564929531 483771273 /nfs/dbraw/zinc/77/12/73/483771273.db2.gz MJXZRCPMJDOHGH-GFCCVEGCSA-N 0 3 370.404 -0.056 20 0 FBADHN N[C@@H](CC(F)F)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000564929533 483771526 /nfs/dbraw/zinc/77/15/26/483771526.db2.gz MJXZRCPMJDOHGH-LBPRGKRZSA-N 0 3 370.404 -0.056 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccc(OCC[NH3+])cc2)cn1C ZINC000564931310 483772304 /nfs/dbraw/zinc/77/23/04/483772304.db2.gz DZSUDTKSHFGDJO-UHFFFAOYSA-N 0 3 367.431 -0.017 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000564933908 485161145 /nfs/dbraw/zinc/16/11/45/485161145.db2.gz SDBUFGFVZUVHFZ-LLVKDONJSA-N 0 3 369.365 -0.195 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000564933912 483772709 /nfs/dbraw/zinc/77/27/09/483772709.db2.gz SDBUFGFVZUVHFZ-NSHDSACASA-N 0 3 369.365 -0.195 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2nc(N3CCNCC3)n[nH]2)c1 ZINC000564943762 485161588 /nfs/dbraw/zinc/16/15/88/485161588.db2.gz OFFDJZHNPKJIMA-UHFFFAOYSA-N 0 3 368.423 -0.955 20 0 FBADHN NS(=O)(=O)Cc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000564944683 485161027 /nfs/dbraw/zinc/16/10/27/485161027.db2.gz PPRYDNSJLQJXDU-UHFFFAOYSA-N 0 3 365.419 -0.745 20 0 FBADHN O=C(Cn1ncc2ccccc2c1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000564944726 485161181 /nfs/dbraw/zinc/16/11/81/485161181.db2.gz SOMYKHLNMVKSAB-UHFFFAOYSA-N 0 3 354.374 -0.437 20 0 FBADHN Cc1ccn2c(c1)ncc(C(=O)Nc1nc(N3CCNCC3)n[nH]1)c2=O ZINC000564944796 485161438 /nfs/dbraw/zinc/16/14/38/485161438.db2.gz XPUANRSKXADLIE-UHFFFAOYSA-N 0 3 354.374 -0.217 20 0 FBADHN O=C(CN1CCN(Cc2ccccc2)CC1)NCC(=O)N1CCNCC1 ZINC000564948180 485161134 /nfs/dbraw/zinc/16/11/34/485161134.db2.gz YWPYKTXQAMWIMR-UHFFFAOYSA-N 0 3 359.474 -0.648 20 0 FBADHN COC[C@@]1(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CCC[NH2+]1 ZINC000564948560 485161470 /nfs/dbraw/zinc/16/14/70/485161470.db2.gz PTQUZSWHKXSPDD-HNNXBMFYSA-N 0 3 373.479 -0.718 20 0 FBADHN COC[C@]1(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CCC[NH2+]1 ZINC000564948563 485161450 /nfs/dbraw/zinc/16/14/50/485161450.db2.gz PTQUZSWHKXSPDD-OAHLLOKOSA-N 0 3 373.479 -0.718 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1C ZINC000564950264 485161105 /nfs/dbraw/zinc/16/11/05/485161105.db2.gz FHTHJADJKNSHCV-AVGNSLFASA-N 0 3 355.464 -0.407 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1C ZINC000564950265 483850299 /nfs/dbraw/zinc/85/02/99/483850299.db2.gz FHTHJADJKNSHCV-RWMBFGLXSA-N 0 3 355.464 -0.407 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1C ZINC000564950266 483849974 /nfs/dbraw/zinc/84/99/74/483849974.db2.gz FHTHJADJKNSHCV-XQQFMLRXSA-N 0 3 355.464 -0.407 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1C ZINC000564950267 483850086 /nfs/dbraw/zinc/85/00/86/483850086.db2.gz FHTHJADJKNSHCV-YNEHKIRRSA-N 0 3 355.464 -0.407 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000564955998 483854919 /nfs/dbraw/zinc/85/49/19/483854919.db2.gz DTRPUWVOTHQCRJ-CYBMUJFWSA-N 0 3 368.459 -0.183 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000564955999 483855138 /nfs/dbraw/zinc/85/51/38/483855138.db2.gz DTRPUWVOTHQCRJ-ZDUSSCGKSA-N 0 3 368.459 -0.183 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CNCCO2)c1 ZINC000564956244 483855089 /nfs/dbraw/zinc/85/50/89/483855089.db2.gz KCSKHGWUZASTOK-CYBMUJFWSA-N 0 3 371.459 -0.362 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000564956246 483855161 /nfs/dbraw/zinc/85/51/61/483855161.db2.gz KCSKHGWUZASTOK-ZDUSSCGKSA-N 0 3 371.459 -0.362 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000564957072 485161361 /nfs/dbraw/zinc/16/13/61/485161361.db2.gz YJAHFNSADPSRJJ-CYBMUJFWSA-N 0 3 358.468 -0.428 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000564957073 485160869 /nfs/dbraw/zinc/16/08/69/485160869.db2.gz YJAHFNSADPSRJJ-ZDUSSCGKSA-N 0 3 358.468 -0.428 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000564974458 485162613 /nfs/dbraw/zinc/16/26/13/485162613.db2.gz HLMBLHYEYZBSFP-INIZCTEOSA-N 0 3 359.492 -0.243 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000564974461 485162457 /nfs/dbraw/zinc/16/24/57/485162457.db2.gz HLMBLHYEYZBSFP-MRXNPFEDSA-N 0 3 359.492 -0.243 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCO1 ZINC000564974974 485162399 /nfs/dbraw/zinc/16/23/99/485162399.db2.gz JAFMLZLKRBUQNY-DOTOQJQBSA-N 0 3 374.441 -0.565 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCO1 ZINC000564974975 485162101 /nfs/dbraw/zinc/16/21/01/485162101.db2.gz JAFMLZLKRBUQNY-NVXWUHKLSA-N 0 3 374.441 -0.565 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCO1 ZINC000564974978 485161999 /nfs/dbraw/zinc/16/19/99/485161999.db2.gz JAFMLZLKRBUQNY-RDJZCZTQSA-N 0 3 374.441 -0.565 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCO1 ZINC000564974980 485161965 /nfs/dbraw/zinc/16/19/65/485161965.db2.gz JAFMLZLKRBUQNY-WBVHZDCISA-N 0 3 374.441 -0.565 20 0 FBADHN OC[C@H](CN1CCOCC1)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000564975476 483871525 /nfs/dbraw/zinc/87/15/25/483871525.db2.gz JQUWLCJBRXGHFT-KBPBESRZSA-N 0 3 354.403 -0.562 20 0 FBADHN OC[C@@H](CN1CCOCC1)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000564975479 483872128 /nfs/dbraw/zinc/87/21/28/483872128.db2.gz JQUWLCJBRXGHFT-KGLIPLIRSA-N 0 3 354.403 -0.562 20 0 FBADHN OC[C@H](CN1CCOCC1)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000564975484 483872070 /nfs/dbraw/zinc/87/20/70/483872070.db2.gz JQUWLCJBRXGHFT-UONOGXRCSA-N 0 3 354.403 -0.562 20 0 FBADHN OC[C@@H](CN1CCOCC1)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000564975487 483872117 /nfs/dbraw/zinc/87/21/17/483872117.db2.gz JQUWLCJBRXGHFT-ZIAGYGMSSA-N 0 3 354.403 -0.562 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000564975594 485162600 /nfs/dbraw/zinc/16/26/00/485162600.db2.gz LBQDODNGZYBECM-GDBMZVCRSA-N 0 3 366.414 -0.214 20 0 FBADHN COC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000564975597 485162585 /nfs/dbraw/zinc/16/25/85/485162585.db2.gz LBQDODNGZYBECM-GOEBONIOSA-N 0 3 366.414 -0.214 20 0 FBADHN COC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCCN(CCO)C2=O)cc1 ZINC000564975598 485161944 /nfs/dbraw/zinc/16/19/44/485161944.db2.gz LBQDODNGZYBECM-HOCLYGCPSA-N 0 3 366.414 -0.214 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCN(CCO)C2=O)cc1 ZINC000564975599 485162382 /nfs/dbraw/zinc/16/23/82/485162382.db2.gz LBQDODNGZYBECM-ZBFHGGJFSA-N 0 3 366.414 -0.214 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCS1(=O)=O ZINC000564977563 483873910 /nfs/dbraw/zinc/87/39/10/483873910.db2.gz GMJRVADDOHETKW-DOMZBBRYSA-N 0 3 365.455 -0.283 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCS1(=O)=O ZINC000564977565 483874161 /nfs/dbraw/zinc/87/41/61/483874161.db2.gz GMJRVADDOHETKW-IUODEOHRSA-N 0 3 365.455 -0.283 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCS1(=O)=O ZINC000564977566 483874594 /nfs/dbraw/zinc/87/45/94/483874594.db2.gz GMJRVADDOHETKW-SWLSCSKDSA-N 0 3 365.455 -0.283 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCS1(=O)=O ZINC000564977567 483874539 /nfs/dbraw/zinc/87/45/39/483874539.db2.gz GMJRVADDOHETKW-WFASDCNBSA-N 0 3 365.455 -0.283 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)[C@@H](CN)C1 ZINC000564980028 485161923 /nfs/dbraw/zinc/16/19/23/485161923.db2.gz OWKPLSZQBIJNIO-JHJVBQTASA-N 0 3 354.451 -0.533 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)[C@@H](CN)C1 ZINC000564980029 485162321 /nfs/dbraw/zinc/16/23/21/485162321.db2.gz OWKPLSZQBIJNIO-UPJWGTAASA-N 0 3 354.451 -0.533 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)[C@H](CN)C1 ZINC000564980030 485162284 /nfs/dbraw/zinc/16/22/84/485162284.db2.gz OWKPLSZQBIJNIO-XQQFMLRXSA-N 0 3 354.451 -0.533 20 0 FBADHN CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)[C@H](CN)C1 ZINC000564980031 485162013 /nfs/dbraw/zinc/16/20/13/485162013.db2.gz OWKPLSZQBIJNIO-YNEHKIRRSA-N 0 3 354.451 -0.533 20 0 FBADHN NC(=O)COc1ccc(CNC(=O)CN2CCNC[C@@H]2C(F)F)cc1 ZINC000564985413 485163290 /nfs/dbraw/zinc/16/32/90/485163290.db2.gz IZWOUZMGQYXPDZ-CYBMUJFWSA-N 0 3 356.373 -0.294 20 0 FBADHN NC(=O)COc1ccc(CNC(=O)CN2CCNC[C@H]2C(F)F)cc1 ZINC000564985414 485163336 /nfs/dbraw/zinc/16/33/36/485163336.db2.gz IZWOUZMGQYXPDZ-ZDUSSCGKSA-N 0 3 356.373 -0.294 20 0 FBADHN CN1CCN(C(=O)c2nc3ncc(Br)cn3n2)[C@H](CN)C1 ZINC000564987963 485163496 /nfs/dbraw/zinc/16/34/96/485163496.db2.gz DSYGVIVLXPZGIB-SECBINFHSA-N 0 3 354.212 -0.398 20 0 FBADHN CN1CCN(C(=O)c2nc3ncc(Br)cn3n2)[C@@H](CN)C1 ZINC000564987964 485163373 /nfs/dbraw/zinc/16/33/73/485163373.db2.gz DSYGVIVLXPZGIB-VIFPVBQESA-N 0 3 354.212 -0.398 20 0 FBADHN C[C@]1(F)CNCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000564989553 485163485 /nfs/dbraw/zinc/16/34/85/485163485.db2.gz QZHUODPMTZPSCF-INIZCTEOSA-N 0 3 370.450 -0.144 20 0 FBADHN C[C@@]1(F)CNCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000564989554 483883448 /nfs/dbraw/zinc/88/34/48/483883448.db2.gz QZHUODPMTZPSCF-MRXNPFEDSA-N 0 3 370.450 -0.144 20 0 FBADHN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CN)CC1 ZINC000564994156 485164499 /nfs/dbraw/zinc/16/44/99/485164499.db2.gz OAAFIBBIWISTAX-UHFFFAOYSA-N 0 3 359.404 -0.525 20 0 FBADHN COCCN(CCN(C)C)C(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000565014985 483898190 /nfs/dbraw/zinc/89/81/90/483898190.db2.gz OFIAIFKWRARCMC-UHFFFAOYSA-N 0 3 359.448 -0.007 20 0 FBADHN CC(C)[C@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)N1CCOCC1 ZINC000565030082 485164128 /nfs/dbraw/zinc/16/41/28/485164128.db2.gz USBMICDEXDQAGU-AWEZNQCLSA-N 0 3 361.508 -0.374 20 0 FBADHN CC(C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)N1CCOCC1 ZINC000565030095 485164349 /nfs/dbraw/zinc/16/43/49/485164349.db2.gz USBMICDEXDQAGU-CQSZACIVSA-N 0 3 361.508 -0.374 20 0 FBADHN O=C(CCN1CCN(c2ccccc2)CC1)NCC(=O)N1CCNCC1 ZINC000565033299 485164105 /nfs/dbraw/zinc/16/41/05/485164105.db2.gz CNJOHHXICSVTIB-UHFFFAOYSA-N 0 3 359.474 -0.253 20 0 FBADHN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)s1 ZINC000565043620 485164881 /nfs/dbraw/zinc/16/48/81/485164881.db2.gz HAYHSKYJCJYKPJ-SECBINFHSA-N 0 3 363.461 -0.193 20 0 FBADHN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)s1 ZINC000565043624 485164873 /nfs/dbraw/zinc/16/48/73/485164873.db2.gz HAYHSKYJCJYKPJ-VIFPVBQESA-N 0 3 363.461 -0.193 20 0 FBADHN COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000565045015 483924287 /nfs/dbraw/zinc/92/42/87/483924287.db2.gz WCUWFFRQWHMEJM-GFCCVEGCSA-N 0 3 357.432 -0.255 20 0 FBADHN COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000565045018 483924434 /nfs/dbraw/zinc/92/44/34/483924434.db2.gz WCUWFFRQWHMEJM-LBPRGKRZSA-N 0 3 357.432 -0.255 20 0 FBADHN CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C)C[C@@H]3CN)cc2C1=O ZINC000565045226 483923632 /nfs/dbraw/zinc/92/36/32/483923632.db2.gz XZIYISIVNLKCPH-JTQLQIEISA-N 0 3 352.416 -0.824 20 0 FBADHN CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C)C[C@H]3CN)cc2C1=O ZINC000565045229 483924241 /nfs/dbraw/zinc/92/42/41/483924241.db2.gz XZIYISIVNLKCPH-SNVBAGLBSA-N 0 3 352.416 -0.824 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCNC[C@H]1C(F)F)c(=O)n2C ZINC000565046128 485165363 /nfs/dbraw/zinc/16/53/63/485165363.db2.gz DRIZTSCTVPEBIL-JTQLQIEISA-N 0 3 356.377 -0.637 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CCNC[C@@H]1C(F)F)c(=O)n2C ZINC000565046130 485165162 /nfs/dbraw/zinc/16/51/62/485165162.db2.gz DRIZTSCTVPEBIL-SNVBAGLBSA-N 0 3 356.377 -0.637 20 0 FBADHN CNC(=O)CCS(=O)(=O)C(C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000565054709 485165173 /nfs/dbraw/zinc/16/51/73/485165173.db2.gz RMGDODOCSAKJND-NEPJUHHUSA-N 0 3 370.427 -0.118 20 0 FBADHN CNC(=O)CCS(=O)(=O)C(C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000565054710 485165414 /nfs/dbraw/zinc/16/54/14/485165414.db2.gz RMGDODOCSAKJND-NWDGAFQWSA-N 0 3 370.427 -0.118 20 0 FBADHN 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/nfs/dbraw/zinc/96/30/31/483963031.db2.gz ZFSLSUPPACPVAC-ZIAGYGMSSA-N 0 3 362.496 -0.180 20 0 FBADHN CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000565066461 485166583 /nfs/dbraw/zinc/16/65/83/485166583.db2.gz VRJDJENGIXQWPW-KBPBESRZSA-N 0 3 354.451 -0.707 20 0 FBADHN CC[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000565066462 485166159 /nfs/dbraw/zinc/16/61/59/485166159.db2.gz VRJDJENGIXQWPW-KGLIPLIRSA-N 0 3 354.451 -0.707 20 0 FBADHN CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000565066463 485166303 /nfs/dbraw/zinc/16/63/03/485166303.db2.gz VRJDJENGIXQWPW-UONOGXRCSA-N 0 3 354.451 -0.707 20 0 FBADHN CC[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000565066464 485166416 /nfs/dbraw/zinc/16/64/16/485166416.db2.gz VRJDJENGIXQWPW-ZIAGYGMSSA-N 0 3 354.451 -0.707 20 0 FBADHN CN1CCC(CNC(=O)C2(S(N)(=O)=O)CC2)(N2CCCCC2)CC1 ZINC000565072952 483974252 /nfs/dbraw/zinc/97/42/52/483974252.db2.gz ADYACGDQGFZFGD-UHFFFAOYSA-N 0 3 358.508 -0.126 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000565075643 485166676 /nfs/dbraw/zinc/16/66/76/485166676.db2.gz WTXQUJSAHNBPIT-KBPBESRZSA-N 0 3 361.450 -0.609 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000565075645 485166104 /nfs/dbraw/zinc/16/61/04/485166104.db2.gz WTXQUJSAHNBPIT-KGLIPLIRSA-N 0 3 361.450 -0.609 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000565075647 485166749 /nfs/dbraw/zinc/16/67/49/485166749.db2.gz WTXQUJSAHNBPIT-UONOGXRCSA-N 0 3 361.450 -0.609 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000565075650 485166555 /nfs/dbraw/zinc/16/65/55/485166555.db2.gz WTXQUJSAHNBPIT-ZIAGYGMSSA-N 0 3 361.450 -0.609 20 0 FBADHN COc1cncc(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)n1 ZINC000565083413 484454844 /nfs/dbraw/zinc/45/48/44/484454844.db2.gz PZZABRPZEGGACK-UHFFFAOYSA-N 0 3 372.385 0.176 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000565097537 485167249 /nfs/dbraw/zinc/16/72/49/485167249.db2.gz GLCPDZHGGSCXKS-UHFFFAOYSA-N 0 3 362.496 -0.672 20 0 FBADHN Cn1c2[nH]c(CCC(=O)NCCNc3ccncc3)nc2c(=O)[nH]c1=O ZINC000565102219 485167715 /nfs/dbraw/zinc/16/77/15/485167715.db2.gz CTGUHEJZRXTMFA-UHFFFAOYSA-N 0 3 357.374 -0.660 20 0 FBADHN CC[C@H](NC(=O)C(=O)NC1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000565111737 485167430 /nfs/dbraw/zinc/16/74/30/485167430.db2.gz WUNJRIBOBWUIJY-AWEZNQCLSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NC1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000565111738 484015775 /nfs/dbraw/zinc/01/57/75/484015775.db2.gz WUNJRIBOBWUIJY-CQSZACIVSA-N 0 3 354.451 -0.660 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CCO1 ZINC000565132171 485168693 /nfs/dbraw/zinc/16/86/93/485168693.db2.gz LYXAXJJWDHMUPK-GDBMZVCRSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CCO1 ZINC000565132175 485168821 /nfs/dbraw/zinc/16/88/21/485168821.db2.gz LYXAXJJWDHMUPK-GOEBONIOSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CCO1 ZINC000565132176 485168087 /nfs/dbraw/zinc/16/80/87/485168087.db2.gz LYXAXJJWDHMUPK-HOCLYGCPSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CCO1 ZINC000565132177 485168130 /nfs/dbraw/zinc/16/81/30/485168130.db2.gz LYXAXJJWDHMUPK-ZBFHGGJFSA-N 0 3 368.478 -0.414 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000565134658 485168620 /nfs/dbraw/zinc/16/86/20/485168620.db2.gz FUEZEMWGIOTTNL-UHFFFAOYSA-N 0 3 374.445 -0.961 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)CN1CCN(C)CC1 ZINC000565135595 485168498 /nfs/dbraw/zinc/16/84/98/485168498.db2.gz UITUCSVCPFQFFZ-HNNXBMFYSA-N 0 3 351.495 -0.707 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C2CC2)CC1)CN1CCN(C)CC1 ZINC000565135598 485168150 /nfs/dbraw/zinc/16/81/50/485168150.db2.gz UITUCSVCPFQFFZ-OAHLLOKOSA-N 0 3 351.495 -0.707 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC(CC[NH3+])CC2)cn1C ZINC000565151768 485168176 /nfs/dbraw/zinc/16/81/76/485168176.db2.gz WHWGMOFMWVDGEU-UHFFFAOYSA-N 0 3 357.480 -0.016 20 0 FBADHN CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000565154853 484525640 /nfs/dbraw/zinc/52/56/40/484525640.db2.gz BXMSZGDYAIITCO-UHFFFAOYSA-N 0 3 362.430 -0.456 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000565155552 485168341 /nfs/dbraw/zinc/16/83/41/485168341.db2.gz FECUAJAZTFIAPN-CABCVRRESA-N 0 3 363.466 -0.426 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000565155562 485168662 /nfs/dbraw/zinc/16/86/62/485168662.db2.gz FECUAJAZTFIAPN-GJZGRUSLSA-N 0 3 363.466 -0.426 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000565155563 485168675 /nfs/dbraw/zinc/16/86/75/485168675.db2.gz FECUAJAZTFIAPN-HUUCEWRRSA-N 0 3 363.466 -0.426 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000565155564 485168216 /nfs/dbraw/zinc/16/82/16/485168216.db2.gz FECUAJAZTFIAPN-LSDHHAIUSA-N 0 3 363.466 -0.426 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000565157780 485169948 /nfs/dbraw/zinc/16/99/48/485169948.db2.gz RIGWZJUQPJGAFF-GOSISDBHSA-N 0 3 370.538 -0.008 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000565157791 485169772 /nfs/dbraw/zinc/16/97/72/485169772.db2.gz RIGWZJUQPJGAFF-SFHVURJKSA-N 0 3 370.538 -0.008 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CCN(C)C(=O)C2)CC1 ZINC000565158421 484544068 /nfs/dbraw/zinc/54/40/68/484544068.db2.gz UGHODAVHQXMSEW-UHFFFAOYSA-N 0 3 354.451 -0.707 20 0 FBADHN NS(=O)(=O)c1cccc(N2C(=O)C[C@@H](NCC3(O)CCCC3)C2=O)c1 ZINC000565158868 485169301 /nfs/dbraw/zinc/16/93/01/485169301.db2.gz ZVHQAENTMGDNMS-CYBMUJFWSA-N 0 3 367.427 -0.139 20 0 FBADHN NS(=O)(=O)c1cccc(N2C(=O)C[C@H](NCC3(O)CCCC3)C2=O)c1 ZINC000565158871 485169657 /nfs/dbraw/zinc/16/96/57/485169657.db2.gz ZVHQAENTMGDNMS-ZDUSSCGKSA-N 0 3 367.427 -0.139 20 0 FBADHN COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000565168873 485169170 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CN(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C[C@@H]1O ZINC000565196334 485170406 /nfs/dbraw/zinc/17/04/06/485170406.db2.gz QTFBXDZETUQEDC-GJZGRUSLSA-N 0 3 371.459 -0.954 20 0 FBADHN NS(=O)(=O)Cc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000565196645 485170950 /nfs/dbraw/zinc/17/09/50/485170950.db2.gz LDXLRHKYWXLZGI-INIZCTEOSA-N 0 3 353.444 -0.338 20 0 FBADHN NS(=O)(=O)Cc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000565196648 485170474 /nfs/dbraw/zinc/17/04/74/485170474.db2.gz LDXLRHKYWXLZGI-MRXNPFEDSA-N 0 3 353.444 -0.338 20 0 FBADHN Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)CC(=O)N1C ZINC000565198018 485170377 /nfs/dbraw/zinc/17/03/77/485170377.db2.gz RMOZDJAJMLQGBC-FDQGKXFDSA-N 0 3 361.446 -0.488 20 0 FBADHN Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@]2(O)CN3CCC2CC3)CC(=O)N1C ZINC000565198019 485170892 /nfs/dbraw/zinc/17/08/92/485170892.db2.gz RMOZDJAJMLQGBC-OWQGQXMQSA-N 0 3 361.446 -0.488 20 0 FBADHN Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)CC(=O)N1C ZINC000565198020 485170430 /nfs/dbraw/zinc/17/04/30/485170430.db2.gz RMOZDJAJMLQGBC-QANKJYHBSA-N 0 3 361.446 -0.488 20 0 FBADHN Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@]2(O)CN3CCC2CC3)CC(=O)N1C ZINC000565198021 485170717 /nfs/dbraw/zinc/17/07/17/485170717.db2.gz RMOZDJAJMLQGBC-XCRHUMRWSA-N 0 3 361.446 -0.488 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)C[C@@H]1O ZINC000565200402 485170832 /nfs/dbraw/zinc/17/08/32/485170832.db2.gz VSTOHQCBDCMXOX-STQMWFEESA-N 0 3 364.427 -0.371 20 0 FBADHN O=C(CC(O)CC(=O)NCCN1CC=CCC1)NCCN1CC=CCC1 ZINC000565202268 485170938 /nfs/dbraw/zinc/17/09/38/485170938.db2.gz YIEUQCCBHSQPCQ-UHFFFAOYSA-N 0 3 364.490 -0.116 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)C(=O)NCCN(C)C)C1 ZINC000565202781 485170585 /nfs/dbraw/zinc/17/05/85/485170585.db2.gz BZUKANQIKPXXOY-CHWSQXEVSA-N 0 3 362.496 -0.769 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)C(=O)NCCN(C)C)C1 ZINC000565202782 485170495 /nfs/dbraw/zinc/17/04/95/485170495.db2.gz BZUKANQIKPXXOY-OLZOCXBDSA-N 0 3 362.496 -0.769 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)C1 ZINC000565202783 485170461 /nfs/dbraw/zinc/17/04/61/485170461.db2.gz BZUKANQIKPXXOY-QWHCGFSZSA-N 0 3 362.496 -0.769 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)C1 ZINC000565202784 485170641 /nfs/dbraw/zinc/17/06/41/485170641.db2.gz BZUKANQIKPXXOY-STQMWFEESA-N 0 3 362.496 -0.769 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)C(=O)NCCN(C)C ZINC000565205118 485170446 /nfs/dbraw/zinc/17/04/46/485170446.db2.gz OJKVLOYGSJOPJD-HUBLWGQQSA-N 0 3 364.450 -0.878 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C)C(=O)NCCN(C)C ZINC000565205134 485170883 /nfs/dbraw/zinc/17/08/83/485170883.db2.gz OJKVLOYGSJOPJD-SLEUVZQESA-N 0 3 364.450 -0.878 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)C(=O)NCCN(C)C ZINC000565205137 485170501 /nfs/dbraw/zinc/17/05/01/485170501.db2.gz OJKVLOYGSJOPJD-YWPYICTPSA-N 0 3 364.450 -0.878 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)C(=O)NCCN(C)C ZINC000565205139 485170982 /nfs/dbraw/zinc/17/09/82/485170982.db2.gz OJKVLOYGSJOPJD-ZOWXZIJZSA-N 0 3 364.450 -0.878 20 0 FBADHN COc1ccc(OC)c(NC(=O)C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000565206703 485170523 /nfs/dbraw/zinc/17/05/23/485170523.db2.gz GXVROASSFDWAEA-LLVKDONJSA-N 0 3 366.418 -0.175 20 0 FBADHN COc1ccc(OC)c(NC(=O)C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000565206704 485170507 /nfs/dbraw/zinc/17/05/07/485170507.db2.gz GXVROASSFDWAEA-NSHDSACASA-N 0 3 366.418 -0.175 20 0 FBADHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000565212790 485171451 /nfs/dbraw/zinc/17/14/51/485171451.db2.gz AJJPWSBLRKNAPS-JTQLQIEISA-N 0 3 367.431 -0.291 20 0 FBADHN Cn1ncc2c1nc(N)nc2NCC1(N2CCOCC2)CCN(C)CC1 ZINC000565224202 484545285 /nfs/dbraw/zinc/54/52/85/484545285.db2.gz DZVQNSBBLBTJHP-UHFFFAOYSA-N 0 3 360.466 0.154 20 0 FBADHN NC(=O)c1ncc(Br)cc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565232455 484065522 /nfs/dbraw/zinc/06/55/22/484065522.db2.gz HFVFIXCZRZGPBR-BDAKNGLRSA-N 0 3 354.208 -0.309 20 0 FBADHN NC(=O)c1ncc(Br)cc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565232456 484065715 /nfs/dbraw/zinc/06/57/15/484065715.db2.gz HFVFIXCZRZGPBR-DTWKUNHWSA-N 0 3 354.208 -0.309 20 0 FBADHN NC(=O)c1ncc(Br)cc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565232457 484065423 /nfs/dbraw/zinc/06/54/23/484065423.db2.gz HFVFIXCZRZGPBR-IUCAKERBSA-N 0 3 354.208 -0.309 20 0 FBADHN NC(=O)c1ncc(Br)cc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565232458 484066040 /nfs/dbraw/zinc/06/60/40/484066040.db2.gz HFVFIXCZRZGPBR-RKDXNWHRSA-N 0 3 354.208 -0.309 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000565237576 485172509 /nfs/dbraw/zinc/17/25/09/485172509.db2.gz CTNJWVAXDPRLSE-BPQIPLTHSA-N 0 3 371.485 -0.127 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000565237591 485173367 /nfs/dbraw/zinc/17/33/67/485173367.db2.gz CTNJWVAXDPRLSE-CGTJXYLNSA-N 0 3 371.485 -0.127 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000565237593 485172741 /nfs/dbraw/zinc/17/27/41/485172741.db2.gz CTNJWVAXDPRLSE-KBAYOESNSA-N 0 3 371.485 -0.127 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000565237598 485173215 /nfs/dbraw/zinc/17/32/15/485173215.db2.gz CTNJWVAXDPRLSE-RYQLBKOJSA-N 0 3 371.485 -0.127 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CCN2C1=O ZINC000565238033 485173329 /nfs/dbraw/zinc/17/33/29/485173329.db2.gz FHAJVTUSKZRGGS-NEPJUHHUSA-N 0 3 363.418 -0.989 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CCN2C1=O ZINC000565238037 485172984 /nfs/dbraw/zinc/17/29/84/485172984.db2.gz FHAJVTUSKZRGGS-NWDGAFQWSA-N 0 3 363.418 -0.989 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CCN2C1=O ZINC000565238039 485172576 /nfs/dbraw/zinc/17/25/76/485172576.db2.gz FHAJVTUSKZRGGS-RYUDHWBXSA-N 0 3 363.418 -0.989 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CCN2C1=O ZINC000565238040 485172491 /nfs/dbraw/zinc/17/24/91/485172491.db2.gz FHAJVTUSKZRGGS-VXGBXAGGSA-N 0 3 363.418 -0.989 20 0 FBADHN CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000565238362 485173416 /nfs/dbraw/zinc/17/34/16/485173416.db2.gz HDWOUDFYQUMHQG-GXTWGEPZSA-N 0 3 366.443 -0.631 20 0 FBADHN CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000565238363 485173428 /nfs/dbraw/zinc/17/34/28/485173428.db2.gz HDWOUDFYQUMHQG-JSGCOSHPSA-N 0 3 366.443 -0.631 20 0 FBADHN CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000565238364 485173107 /nfs/dbraw/zinc/17/31/07/485173107.db2.gz HDWOUDFYQUMHQG-OCCSQVGLSA-N 0 3 366.443 -0.631 20 0 FBADHN CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000565238365 485172903 /nfs/dbraw/zinc/17/29/03/485172903.db2.gz HDWOUDFYQUMHQG-TZMCWYRMSA-N 0 3 366.443 -0.631 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(Cl)ccc3-n3cnnn3)CCN2C1=O ZINC000565238809 485172956 /nfs/dbraw/zinc/17/29/56/485172956.db2.gz IDINPBPEQNQNFF-CMPLNLGQSA-N 0 3 361.793 -0.300 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3cc(Cl)ccc3-n3cnnn3)CCN2C1=O ZINC000565238813 485172599 /nfs/dbraw/zinc/17/25/99/485172599.db2.gz IDINPBPEQNQNFF-JQWIXIFHSA-N 0 3 361.793 -0.300 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(Cl)ccc3-n3cnnn3)CCN2C1=O ZINC000565238814 485172534 /nfs/dbraw/zinc/17/25/34/485172534.db2.gz IDINPBPEQNQNFF-PWSUYJOCSA-N 0 3 361.793 -0.300 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(Cl)ccc3-n3cnnn3)CCN2C1=O ZINC000565238816 485172592 /nfs/dbraw/zinc/17/25/92/485172592.db2.gz IDINPBPEQNQNFF-ZYHUDNBSSA-N 0 3 361.793 -0.300 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)CCc3ccc4c(c3)CCO4)CCN2C1=O ZINC000565239247 485173229 /nfs/dbraw/zinc/17/32/29/485173229.db2.gz KLEAMHOJEUXLPO-CABCVRRESA-N 0 3 365.455 -0.262 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)CCc3ccc4c(c3)CCO4)CCN2C1=O ZINC000565239251 485172420 /nfs/dbraw/zinc/17/24/20/485172420.db2.gz KLEAMHOJEUXLPO-GJZGRUSLSA-N 0 3 365.455 -0.262 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)CCc3ccc4c(c3)CCO4)CCN2C1=O ZINC000565239252 485173003 /nfs/dbraw/zinc/17/30/03/485173003.db2.gz KLEAMHOJEUXLPO-HUUCEWRRSA-N 0 3 365.455 -0.262 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)CCc3ccc4c(c3)CCO4)CCN2C1=O ZINC000565239253 485173029 /nfs/dbraw/zinc/17/30/29/485173029.db2.gz KLEAMHOJEUXLPO-LSDHHAIUSA-N 0 3 365.455 -0.262 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NC[C@@H]3COc4ccccc4O3)CCN2C1=O ZINC000565239594 485172890 /nfs/dbraw/zinc/17/28/90/485172890.db2.gz LRNDVMCLWBBETD-BFHYXJOUSA-N 0 3 360.414 -0.814 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC[C@H]3COc4ccccc4O3)CCN2C1=O ZINC000565239595 485172926 /nfs/dbraw/zinc/17/29/26/485172926.db2.gz LRNDVMCLWBBETD-HZSPNIEDSA-N 0 3 360.414 -0.814 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NC[C@H]3COc4ccccc4O3)CCN2C1=O ZINC000565239596 485173321 /nfs/dbraw/zinc/17/33/21/485173321.db2.gz LRNDVMCLWBBETD-MELADBBJSA-N 0 3 360.414 -0.814 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC[C@@H]3COc4ccccc4O3)CCN2C1=O ZINC000565239597 485172627 /nfs/dbraw/zinc/17/26/27/485172627.db2.gz LRNDVMCLWBBETD-MGPQQGTHSA-N 0 3 360.414 -0.814 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)CCN2C1=O ZINC000565239632 485173153 /nfs/dbraw/zinc/17/31/53/485173153.db2.gz LZYAXHCFESPUND-NEPJUHHUSA-N 0 3 363.418 -0.989 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)CCN2C1=O ZINC000565239633 485173056 /nfs/dbraw/zinc/17/30/56/485173056.db2.gz LZYAXHCFESPUND-NWDGAFQWSA-N 0 3 363.418 -0.989 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)CCN2C1=O ZINC000565239634 485172865 /nfs/dbraw/zinc/17/28/65/485172865.db2.gz LZYAXHCFESPUND-RYUDHWBXSA-N 0 3 363.418 -0.989 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)CCN2C1=O ZINC000565239635 485173442 /nfs/dbraw/zinc/17/34/42/485173442.db2.gz LZYAXHCFESPUND-VXGBXAGGSA-N 0 3 363.418 -0.989 20 0 FBADHN CNC(=O)COc1cccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565239785 485173069 /nfs/dbraw/zinc/17/30/69/485173069.db2.gz MISZFXJHGQSIFI-DZGCQCFKSA-N 0 3 360.414 -0.876 20 0 FBADHN CNC(=O)COc1cccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565239786 485172817 /nfs/dbraw/zinc/17/28/17/485172817.db2.gz MISZFXJHGQSIFI-HIFRSBDPSA-N 0 3 360.414 -0.876 20 0 FBADHN CNC(=O)COc1cccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565239787 485173016 /nfs/dbraw/zinc/17/30/16/485173016.db2.gz MISZFXJHGQSIFI-UKRRQHHQSA-N 0 3 360.414 -0.876 20 0 FBADHN CNC(=O)COc1cccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565239788 485172542 /nfs/dbraw/zinc/17/25/42/485172542.db2.gz MISZFXJHGQSIFI-ZFWWWQNUSA-N 0 3 360.414 -0.876 20 0 FBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000565239864 485172539 /nfs/dbraw/zinc/17/25/39/485172539.db2.gz NHZCCPXXZBATJK-GXTWGEPZSA-N 0 3 367.427 -0.204 20 0 FBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000565239865 485173081 /nfs/dbraw/zinc/17/30/81/485173081.db2.gz NHZCCPXXZBATJK-JSGCOSHPSA-N 0 3 367.427 -0.204 20 0 FBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000565239866 485172679 /nfs/dbraw/zinc/17/26/79/485172679.db2.gz NHZCCPXXZBATJK-OCCSQVGLSA-N 0 3 367.427 -0.204 20 0 FBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000565239867 485173181 /nfs/dbraw/zinc/17/31/81/485173181.db2.gz NHZCCPXXZBATJK-TZMCWYRMSA-N 0 3 367.427 -0.204 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCNC(=O)c3[nH]nc4ccccc43)CCN2C1=O ZINC000565239975 485172645 /nfs/dbraw/zinc/17/26/45/485172645.db2.gz OQKGKEJDJJRLCX-AAEUAGOBSA-N 0 3 370.413 -0.547 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3[nH]nc4ccccc43)CCN2C1=O ZINC000565239976 485172759 /nfs/dbraw/zinc/17/27/59/485172759.db2.gz OQKGKEJDJJRLCX-DGCLKSJQSA-N 0 3 370.413 -0.547 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCNC(=O)c3[nH]nc4ccccc43)CCN2C1=O ZINC000565239977 485172520 /nfs/dbraw/zinc/17/25/20/485172520.db2.gz OQKGKEJDJJRLCX-WCQYABFASA-N 0 3 370.413 -0.547 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3[nH]nc4ccccc43)CCN2C1=O ZINC000565239978 485172526 /nfs/dbraw/zinc/17/25/26/485172526.db2.gz OQKGKEJDJJRLCX-YPMHNXCESA-N 0 3 370.413 -0.547 20 0 FBADHN NC(=O)c1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nn1-c1ccccc1 ZINC000565240141 485173385 /nfs/dbraw/zinc/17/33/85/485173385.db2.gz RWGWILQHKJNAIL-CHWSQXEVSA-N 0 3 368.397 -0.645 20 0 FBADHN NC(=O)c1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nn1-c1ccccc1 ZINC000565240142 485172435 /nfs/dbraw/zinc/17/24/35/485172435.db2.gz RWGWILQHKJNAIL-OLZOCXBDSA-N 0 3 368.397 -0.645 20 0 FBADHN NC(=O)c1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nn1-c1ccccc1 ZINC000565240143 485173141 /nfs/dbraw/zinc/17/31/41/485173141.db2.gz RWGWILQHKJNAIL-QWHCGFSZSA-N 0 3 368.397 -0.645 20 0 FBADHN NC(=O)c1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nn1-c1ccccc1 ZINC000565240144 485172841 /nfs/dbraw/zinc/17/28/41/485172841.db2.gz RWGWILQHKJNAIL-STQMWFEESA-N 0 3 368.397 -0.645 20 0 FBADHN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565240182 485172469 /nfs/dbraw/zinc/17/24/69/485172469.db2.gz SKCMZQWQARWUAI-CMPLNLGQSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565240183 485172788 /nfs/dbraw/zinc/17/27/88/485172788.db2.gz SKCMZQWQARWUAI-JQWIXIFHSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565240184 485172443 /nfs/dbraw/zinc/17/24/43/485172443.db2.gz SKCMZQWQARWUAI-PWSUYJOCSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565240185 485172970 /nfs/dbraw/zinc/17/29/70/485172970.db2.gz SKCMZQWQARWUAI-ZYHUDNBSSA-N 0 3 371.390 -0.455 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)CCO4)CCN2C1=O ZINC000565240208 485172687 /nfs/dbraw/zinc/17/26/87/485172687.db2.gz SXIJGJCAXPQNQI-GWCFXTLKSA-N 0 3 365.411 -0.416 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)CCO4)CCN2C1=O ZINC000565240209 485173298 /nfs/dbraw/zinc/17/32/98/485173298.db2.gz SXIJGJCAXPQNQI-GXFFZTMASA-N 0 3 365.411 -0.416 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)CCO4)CCN2C1=O ZINC000565240210 485172567 /nfs/dbraw/zinc/17/25/67/485172567.db2.gz SXIJGJCAXPQNQI-MFKMUULPSA-N 0 3 365.411 -0.416 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)CCO4)CCN2C1=O ZINC000565240211 485172775 /nfs/dbraw/zinc/17/27/75/485172775.db2.gz SXIJGJCAXPQNQI-ZWNOBZJWSA-N 0 3 365.411 -0.416 20 0 FBADHN CN1CCC(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc21 ZINC000565240318 485172477 /nfs/dbraw/zinc/17/24/77/485172477.db2.gz VGHCKWRUGNAURS-CHWSQXEVSA-N 0 3 357.414 -0.151 20 0 FBADHN CN1CCC(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc21 ZINC000565240319 485172632 /nfs/dbraw/zinc/17/26/32/485172632.db2.gz VGHCKWRUGNAURS-OLZOCXBDSA-N 0 3 357.414 -0.151 20 0 FBADHN CN1CCC(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc21 ZINC000565240320 485172484 /nfs/dbraw/zinc/17/24/84/485172484.db2.gz VGHCKWRUGNAURS-QWHCGFSZSA-N 0 3 357.414 -0.151 20 0 FBADHN CN1CCC(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc21 ZINC000565240321 485173241 /nfs/dbraw/zinc/17/32/41/485173241.db2.gz VGHCKWRUGNAURS-STQMWFEESA-N 0 3 357.414 -0.151 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565240418 485173042 /nfs/dbraw/zinc/17/30/42/485173042.db2.gz WLTVPICRMUHUFC-CMPLNLGQSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565240419 485172410 /nfs/dbraw/zinc/17/24/10/485172410.db2.gz WLTVPICRMUHUFC-JQWIXIFHSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565240420 485173166 /nfs/dbraw/zinc/17/31/66/485173166.db2.gz WLTVPICRMUHUFC-PWSUYJOCSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565240421 485173394 /nfs/dbraw/zinc/17/33/94/485173394.db2.gz WLTVPICRMUHUFC-ZYHUDNBSSA-N 0 3 352.416 -0.974 20 0 FBADHN CN1CCN([C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2ccccc2)CC1 ZINC000565240423 485172587 /nfs/dbraw/zinc/17/25/87/485172587.db2.gz WOVMNXQJSGYCRR-BZSNNMDCSA-N 0 3 371.485 -0.255 20 0 FBADHN CN1CCN([C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2ccccc2)CC1 ZINC000565240424 485173265 /nfs/dbraw/zinc/17/32/65/485173265.db2.gz WOVMNXQJSGYCRR-KSZLIROESA-N 0 3 371.485 -0.255 20 0 FBADHN CN1CCN([C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2ccccc2)CC1 ZINC000565240425 485172553 /nfs/dbraw/zinc/17/25/53/485172553.db2.gz WOVMNXQJSGYCRR-KURKYZTESA-N 0 3 371.485 -0.255 20 0 FBADHN CN1CCN([C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2ccccc2)CC1 ZINC000565240426 485174590 /nfs/dbraw/zinc/17/45/90/485174590.db2.gz WOVMNXQJSGYCRR-SQNIBIBYSA-N 0 3 371.485 -0.255 20 0 FBADHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N=c2nc[nH]n2C)C1 ZINC000565246758 485174477 /nfs/dbraw/zinc/17/44/77/485174477.db2.gz RRDMVKHIDWLNLU-HNNXBMFYSA-N 0 3 356.430 -0.049 20 0 FBADHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N=c2nc[nH]n2C)C1 ZINC000565246759 485173662 /nfs/dbraw/zinc/17/36/62/485173662.db2.gz RRDMVKHIDWLNLU-OAHLLOKOSA-N 0 3 356.430 -0.049 20 0 FBADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000565249829 485174574 /nfs/dbraw/zinc/17/45/74/485174574.db2.gz KBABNFZOVDBVBJ-CHWSQXEVSA-N 0 3 361.402 -0.422 20 0 FBADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000565249830 485174704 /nfs/dbraw/zinc/17/47/04/485174704.db2.gz KBABNFZOVDBVBJ-OLZOCXBDSA-N 0 3 361.402 -0.422 20 0 FBADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000565249831 485173754 /nfs/dbraw/zinc/17/37/54/485173754.db2.gz KBABNFZOVDBVBJ-QWHCGFSZSA-N 0 3 361.402 -0.422 20 0 FBADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000565249832 485173705 /nfs/dbraw/zinc/17/37/05/485173705.db2.gz KBABNFZOVDBVBJ-STQMWFEESA-N 0 3 361.402 -0.422 20 0 FBADHN COc1c(F)cc(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565249905 485174720 /nfs/dbraw/zinc/17/47/20/485174720.db2.gz KUFKPTCOIZFATJ-GXSJLCMTSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1c(F)cc(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565249908 485174696 /nfs/dbraw/zinc/17/46/96/485174696.db2.gz KUFKPTCOIZFATJ-KOLCDFICSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1c(F)cc(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565249911 485174515 /nfs/dbraw/zinc/17/45/15/485174515.db2.gz KUFKPTCOIZFATJ-MWLCHTKSSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1c(F)cc(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565249912 485173923 /nfs/dbraw/zinc/17/39/23/485173923.db2.gz KUFKPTCOIZFATJ-ONGXEEELSA-N 0 3 368.340 -0.318 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCC4)CCN2C1=O ZINC000565250113 485174372 /nfs/dbraw/zinc/17/43/72/485174372.db2.gz MKWJGQQKQCYNGV-NXEZZACHSA-N 0 3 363.443 -0.269 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCC4)CCN2C1=O ZINC000565250115 485174630 /nfs/dbraw/zinc/17/46/30/485174630.db2.gz MKWJGQQKQCYNGV-UWVGGRQHSA-N 0 3 363.443 -0.269 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCC4)CCN2C1=O ZINC000565250117 485173694 /nfs/dbraw/zinc/17/36/94/485173694.db2.gz MKWJGQQKQCYNGV-VHSXEESVSA-N 0 3 363.443 -0.269 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCC4)CCN2C1=O ZINC000565250119 485173786 /nfs/dbraw/zinc/17/37/86/485173786.db2.gz MKWJGQQKQCYNGV-ZJUUUORDSA-N 0 3 363.443 -0.269 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565250427 485174087 /nfs/dbraw/zinc/17/40/87/485174087.db2.gz MWGCSBAVYAVHDF-CHWSQXEVSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565250428 485174731 /nfs/dbraw/zinc/17/47/31/485174731.db2.gz MWGCSBAVYAVHDF-OLZOCXBDSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565250430 485173872 /nfs/dbraw/zinc/17/38/72/485173872.db2.gz MWGCSBAVYAVHDF-QWHCGFSZSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565250432 485173722 /nfs/dbraw/zinc/17/37/22/485173722.db2.gz MWGCSBAVYAVHDF-STQMWFEESA-N 0 3 374.397 -0.509 20 0 FBADHN CCc1cccc2c1N(C(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CC2 ZINC000565250532 485173973 /nfs/dbraw/zinc/17/39/73/485173973.db2.gz ONPKBYUFLCSWSC-CABCVRRESA-N 0 3 356.426 -0.092 20 0 FBADHN CCc1cccc2c1N(C(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CC2 ZINC000565250535 485174753 /nfs/dbraw/zinc/17/47/53/485174753.db2.gz ONPKBYUFLCSWSC-GJZGRUSLSA-N 0 3 356.426 -0.092 20 0 FBADHN CCc1cccc2c1N(C(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CC2 ZINC000565250536 485174647 /nfs/dbraw/zinc/17/46/47/485174647.db2.gz ONPKBYUFLCSWSC-HUUCEWRRSA-N 0 3 356.426 -0.092 20 0 FBADHN CCc1cccc2c1N(C(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CC2 ZINC000565250537 485174101 /nfs/dbraw/zinc/17/41/01/485174101.db2.gz ONPKBYUFLCSWSC-LSDHHAIUSA-N 0 3 356.426 -0.092 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCn3cc(Br)cn3)CCN2C1=O ZINC000565250829 485174159 /nfs/dbraw/zinc/17/41/59/485174159.db2.gz ROKANAHNBZKDNC-GHMZBOCLSA-N 0 3 371.239 -0.401 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCn3cc(Br)cn3)CCN2C1=O ZINC000565250956 485173671 /nfs/dbraw/zinc/17/36/71/485173671.db2.gz ROKANAHNBZKDNC-MNOVXSKESA-N 0 3 371.239 -0.401 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCn3cc(Br)cn3)CCN2C1=O ZINC000565250958 485174028 /nfs/dbraw/zinc/17/40/28/485174028.db2.gz ROKANAHNBZKDNC-QWRGUYRKSA-N 0 3 371.239 -0.401 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCn3cc(Br)cn3)CCN2C1=O ZINC000565250960 485174744 /nfs/dbraw/zinc/17/47/44/485174744.db2.gz ROKANAHNBZKDNC-WDEREUQCSA-N 0 3 371.239 -0.401 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC1 ZINC000565251236 485174418 /nfs/dbraw/zinc/17/44/18/485174418.db2.gz YBSYPJDLBQSPBN-KBPBESRZSA-N 0 3 366.462 -0.530 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC1 ZINC000565251237 485174671 /nfs/dbraw/zinc/17/46/71/485174671.db2.gz YBSYPJDLBQSPBN-KGLIPLIRSA-N 0 3 366.462 -0.530 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1 ZINC000565251238 485174244 /nfs/dbraw/zinc/17/42/44/485174244.db2.gz YBSYPJDLBQSPBN-UONOGXRCSA-N 0 3 366.462 -0.530 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC1 ZINC000565251239 485174146 /nfs/dbraw/zinc/17/41/46/485174146.db2.gz YBSYPJDLBQSPBN-ZIAGYGMSSA-N 0 3 366.462 -0.530 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)nc3)CCN2C1=O ZINC000565251322 485174598 /nfs/dbraw/zinc/17/45/98/485174598.db2.gz RVODTXXTHDFZRX-NXEZZACHSA-N 0 3 369.328 -0.608 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)nc3)CCN2C1=O ZINC000565251323 485174274 /nfs/dbraw/zinc/17/42/74/485174274.db2.gz RVODTXXTHDFZRX-UWVGGRQHSA-N 0 3 369.328 -0.608 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)nc3)CCN2C1=O ZINC000565251324 485174116 /nfs/dbraw/zinc/17/41/16/485174116.db2.gz RVODTXXTHDFZRX-VHSXEESVSA-N 0 3 369.328 -0.608 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)nc3)CCN2C1=O ZINC000565251325 485173840 /nfs/dbraw/zinc/17/38/40/485173840.db2.gz RVODTXXTHDFZRX-ZJUUUORDSA-N 0 3 369.328 -0.608 20 0 FBADHN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565251348 485173732 /nfs/dbraw/zinc/17/37/32/485173732.db2.gz SDGNTIRINDLURN-CABCVRRESA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565251349 485174453 /nfs/dbraw/zinc/17/44/53/485174453.db2.gz SDGNTIRINDLURN-GJZGRUSLSA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565251350 485174131 /nfs/dbraw/zinc/17/41/31/485174131.db2.gz SDGNTIRINDLURN-HUUCEWRRSA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565251351 485174235 /nfs/dbraw/zinc/17/42/35/485174235.db2.gz SDGNTIRINDLURN-LSDHHAIUSA-N 0 3 373.413 -0.622 20 0 FBADHN COc1ccc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565251598 485174764 /nfs/dbraw/zinc/17/47/64/485174764.db2.gz UBPZXNJGPZNDCA-BXKDBHETSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1ccc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565251599 485173990 /nfs/dbraw/zinc/17/39/90/485173990.db2.gz UBPZXNJGPZNDCA-CABZTGNLSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1ccc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565251600 485174463 /nfs/dbraw/zinc/17/44/63/485174463.db2.gz UBPZXNJGPZNDCA-JOYOIKCWSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1ccc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565251601 485174205 /nfs/dbraw/zinc/17/42/05/485174205.db2.gz UBPZXNJGPZNDCA-SKDRFNHKSA-N 0 3 350.350 -0.457 20 0 FBADHN Cc1ccn2cc(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)nc2c1 ZINC000565252255 485174409 /nfs/dbraw/zinc/17/44/09/485174409.db2.gz BPKHEHZCYDCEOO-KBPBESRZSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1ccn2cc(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)nc2c1 ZINC000565252256 485173860 /nfs/dbraw/zinc/17/38/60/485173860.db2.gz BPKHEHZCYDCEOO-KGLIPLIRSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1ccn2cc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)nc2c1 ZINC000565252257 485174434 /nfs/dbraw/zinc/17/44/34/485174434.db2.gz BPKHEHZCYDCEOO-UONOGXRCSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1ccn2cc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)nc2c1 ZINC000565252258 485174291 /nfs/dbraw/zinc/17/42/91/485174291.db2.gz BPKHEHZCYDCEOO-ZIAGYGMSSA-N 0 3 370.413 -0.971 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3cccc4O)CCN2C1=O ZINC000565252388 485174306 /nfs/dbraw/zinc/17/43/06/485174306.db2.gz CHGBLAVZQYBTOB-GDLCADMTSA-N 0 3 358.398 -0.734 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3cccc4O)CCN2C1=O ZINC000565252393 485174179 /nfs/dbraw/zinc/17/41/79/485174179.db2.gz CHGBLAVZQYBTOB-HONMWMINSA-N 0 3 358.398 -0.734 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCc4c3cccc4O)CCN2C1=O ZINC000565252395 485174380 /nfs/dbraw/zinc/17/43/80/485174380.db2.gz CHGBLAVZQYBTOB-LERXQTSPSA-N 0 3 358.398 -0.734 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCc4c3cccc4O)CCN2C1=O ZINC000565252396 485174362 /nfs/dbraw/zinc/17/43/62/485174362.db2.gz CHGBLAVZQYBTOB-ZLKJLUDKSA-N 0 3 358.398 -0.734 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3)CCN2C1=O ZINC000565252494 485173713 /nfs/dbraw/zinc/17/37/13/485173713.db2.gz CPTXWJOBUSXSKF-CHWSQXEVSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3)CCN2C1=O ZINC000565252495 485173957 /nfs/dbraw/zinc/17/39/57/485173957.db2.gz CPTXWJOBUSXSKF-OLZOCXBDSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3)CCN2C1=O ZINC000565252496 485174042 /nfs/dbraw/zinc/17/40/42/485174042.db2.gz CPTXWJOBUSXSKF-QWHCGFSZSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3)CCN2C1=O ZINC000565252497 485173679 /nfs/dbraw/zinc/17/36/79/485173679.db2.gz CPTXWJOBUSXSKF-STQMWFEESA-N 0 3 350.806 -0.273 20 0 FBADHN Cc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565253094 485174619 /nfs/dbraw/zinc/17/46/19/485174619.db2.gz GYDQYEVYWHFDNY-ILXRZTDVSA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565253095 485174216 /nfs/dbraw/zinc/17/42/16/485174216.db2.gz GYDQYEVYWHFDNY-KFWWJZLASA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565253096 485174549 /nfs/dbraw/zinc/17/45/49/485174549.db2.gz GYDQYEVYWHFDNY-QLFBSQMISA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565253097 485174562 /nfs/dbraw/zinc/17/45/62/485174562.db2.gz GYDQYEVYWHFDNY-RBSFLKMASA-N 0 3 374.441 -0.351 20 0 FBADHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)C2 ZINC000565253395 485174759 /nfs/dbraw/zinc/17/47/59/485174759.db2.gz IBOGEWUUQNHGAM-IPYPFGDCSA-N 0 3 360.414 -0.048 20 0 FBADHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)C2 ZINC000565253396 485173771 /nfs/dbraw/zinc/17/37/71/485173771.db2.gz IBOGEWUUQNHGAM-NFAWXSAZSA-N 0 3 360.414 -0.048 20 0 FBADHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)C2 ZINC000565253397 485174351 /nfs/dbraw/zinc/17/43/51/485174351.db2.gz IBOGEWUUQNHGAM-UMVBOHGHSA-N 0 3 360.414 -0.048 20 0 FBADHN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)C2 ZINC000565253399 485174657 /nfs/dbraw/zinc/17/46/57/485174657.db2.gz IBOGEWUUQNHGAM-VNHYZAJKSA-N 0 3 360.414 -0.048 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO[C@@H]1C1CC1 ZINC000565253545 485174394 /nfs/dbraw/zinc/17/43/94/485174394.db2.gz JNHKTYKHXYJYGI-HNSFDTNUSA-N 0 3 364.446 -0.922 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO[C@H]1C1CC1 ZINC000565253550 485174057 /nfs/dbraw/zinc/17/40/57/485174057.db2.gz JNHKTYKHXYJYGI-MOROJQBDSA-N 0 3 364.446 -0.922 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO[C@@H]1C1CC1 ZINC000565253551 485175220 /nfs/dbraw/zinc/17/52/20/485175220.db2.gz JNHKTYKHXYJYGI-UHQDVWGKSA-N 0 3 364.446 -0.922 20 0 FBADHN C[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO[C@H]1C1CC1 ZINC000565253552 485173827 /nfs/dbraw/zinc/17/38/27/485173827.db2.gz JNHKTYKHXYJYGI-ZUMXRPEOSA-N 0 3 364.446 -0.922 20 0 FBADHN CCc1noc(CC)c1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565253553 485175587 /nfs/dbraw/zinc/17/55/87/485175587.db2.gz JNIYLIYQXYGELP-CMPLNLGQSA-N 0 3 363.418 -0.814 20 0 FBADHN CCc1noc(CC)c1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565253554 485175230 /nfs/dbraw/zinc/17/52/30/485175230.db2.gz JNIYLIYQXYGELP-JQWIXIFHSA-N 0 3 363.418 -0.814 20 0 FBADHN CCc1noc(CC)c1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565253555 485175453 /nfs/dbraw/zinc/17/54/53/485175453.db2.gz JNIYLIYQXYGELP-PWSUYJOCSA-N 0 3 363.418 -0.814 20 0 FBADHN CCc1noc(CC)c1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565253556 485175565 /nfs/dbraw/zinc/17/55/65/485175565.db2.gz JNIYLIYQXYGELP-ZYHUDNBSSA-N 0 3 363.418 -0.814 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCc4c3cccc4F)CCN2C1=O ZINC000565253598 485175044 /nfs/dbraw/zinc/17/50/44/485175044.db2.gz KNHSVIBXGNUDTL-COLVAYQJSA-N 0 3 360.389 -0.300 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3cccc4F)CCN2C1=O ZINC000565253599 485176048 /nfs/dbraw/zinc/17/60/48/485176048.db2.gz KNHSVIBXGNUDTL-KMUNFCNLSA-N 0 3 360.389 -0.300 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCc4c3cccc4F)CCN2C1=O ZINC000565253600 485176019 /nfs/dbraw/zinc/17/60/19/485176019.db2.gz KNHSVIBXGNUDTL-VCTAVGKDSA-N 0 3 360.389 -0.300 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3cccc4F)CCN2C1=O ZINC000565253601 485176092 /nfs/dbraw/zinc/17/60/92/485176092.db2.gz KNHSVIBXGNUDTL-VQISRLSMSA-N 0 3 360.389 -0.300 20 0 FBADHN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565253947 485175877 /nfs/dbraw/zinc/17/58/77/485175877.db2.gz LYRARKGGOZIUJR-CYUUQNCZSA-N 0 3 372.425 -0.562 20 0 FBADHN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565253948 485176065 /nfs/dbraw/zinc/17/60/65/485176065.db2.gz LYRARKGGOZIUJR-FAAHXZRKSA-N 0 3 372.425 -0.562 20 0 FBADHN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565253949 485175322 /nfs/dbraw/zinc/17/53/22/485175322.db2.gz LYRARKGGOZIUJR-SPWCGHHHSA-N 0 3 372.425 -0.562 20 0 FBADHN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565253950 485175253 /nfs/dbraw/zinc/17/52/53/485175253.db2.gz LYRARKGGOZIUJR-UQOMUDLDSA-N 0 3 372.425 -0.562 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)nc3)CCN2C1=O ZINC000565254369 485176086 /nfs/dbraw/zinc/17/60/86/485176086.db2.gz NDTOTTXWKMFZJA-CABCVRRESA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)nc3)CCN2C1=O ZINC000565254371 485175106 /nfs/dbraw/zinc/17/51/06/485175106.db2.gz NDTOTTXWKMFZJA-GJZGRUSLSA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)nc3)CCN2C1=O ZINC000565254372 485175165 /nfs/dbraw/zinc/17/51/65/485175165.db2.gz NDTOTTXWKMFZJA-HUUCEWRRSA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)nc3)CCN2C1=O ZINC000565254373 485175979 /nfs/dbraw/zinc/17/59/79/485175979.db2.gz NDTOTTXWKMFZJA-LSDHHAIUSA-N 0 3 374.445 -0.628 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nccs1 ZINC000565254878 485175194 /nfs/dbraw/zinc/17/51/94/485175194.db2.gz PTFZGPMHLZDGKA-AXFHLTTASA-N 0 3 351.432 -0.519 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nccs1 ZINC000565254884 485175598 /nfs/dbraw/zinc/17/55/98/485175598.db2.gz PTFZGPMHLZDGKA-DCAQKATOSA-N 0 3 351.432 -0.519 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nccs1 ZINC000565254885 485175890 /nfs/dbraw/zinc/17/58/90/485175890.db2.gz PTFZGPMHLZDGKA-MXWKQRLJSA-N 0 3 351.432 -0.519 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1nccs1 ZINC000565254886 485176056 /nfs/dbraw/zinc/17/60/56/485176056.db2.gz PTFZGPMHLZDGKA-VWYCJHECSA-N 0 3 351.432 -0.519 20 0 FBADHN COCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000565254906 485175209 /nfs/dbraw/zinc/17/52/09/485175209.db2.gz PZTDPPINDJABRE-CABCVRRESA-N 0 3 360.414 -0.780 20 0 FBADHN COCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000565254907 485175528 /nfs/dbraw/zinc/17/55/28/485175528.db2.gz PZTDPPINDJABRE-GJZGRUSLSA-N 0 3 360.414 -0.780 20 0 FBADHN COCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000565254908 485175443 /nfs/dbraw/zinc/17/54/43/485175443.db2.gz PZTDPPINDJABRE-HUUCEWRRSA-N 0 3 360.414 -0.780 20 0 FBADHN COCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000565254910 485175177 /nfs/dbraw/zinc/17/51/77/485175177.db2.gz PZTDPPINDJABRE-LSDHHAIUSA-N 0 3 360.414 -0.780 20 0 FBADHN CC(C)Oc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565254911 485175387 /nfs/dbraw/zinc/17/53/87/485175387.db2.gz PZZHUZMDRBHFGH-CABCVRRESA-N 0 3 374.441 -0.140 20 0 FBADHN CC(C)Oc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565254912 485175186 /nfs/dbraw/zinc/17/51/86/485175186.db2.gz PZZHUZMDRBHFGH-GJZGRUSLSA-N 0 3 374.441 -0.140 20 0 FBADHN CC(C)Oc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565254913 485175077 /nfs/dbraw/zinc/17/50/77/485175077.db2.gz PZZHUZMDRBHFGH-HUUCEWRRSA-N 0 3 374.441 -0.140 20 0 FBADHN CC(C)Oc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565254914 485175662 /nfs/dbraw/zinc/17/56/62/485175662.db2.gz PZZHUZMDRBHFGH-LSDHHAIUSA-N 0 3 374.441 -0.140 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCSc3ccccc3)CCN2C1=O ZINC000565254937 485176028 /nfs/dbraw/zinc/17/60/28/485176028.db2.gz QLFBXMCTCHVCCZ-GXTWGEPZSA-N 0 3 362.455 -0.335 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCSc3ccccc3)CCN2C1=O ZINC000565254938 485175999 /nfs/dbraw/zinc/17/59/99/485175999.db2.gz QLFBXMCTCHVCCZ-JSGCOSHPSA-N 0 3 362.455 -0.335 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCSc3ccccc3)CCN2C1=O ZINC000565254939 485175952 /nfs/dbraw/zinc/17/59/52/485175952.db2.gz QLFBXMCTCHVCCZ-OCCSQVGLSA-N 0 3 362.455 -0.335 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCSc3ccccc3)CCN2C1=O ZINC000565254940 485175514 /nfs/dbraw/zinc/17/55/14/485175514.db2.gz QLFBXMCTCHVCCZ-TZMCWYRMSA-N 0 3 362.455 -0.335 20 0 FBADHN Cc1ccccc1C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000565254969 485175795 /nfs/dbraw/zinc/17/57/95/485175795.db2.gz REDWVEKDDKVSLX-GDBMZVCRSA-N 0 3 370.453 -0.087 20 0 FBADHN Cc1ccccc1C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000565254971 485175501 /nfs/dbraw/zinc/17/55/01/485175501.db2.gz REDWVEKDDKVSLX-GOEBONIOSA-N 0 3 370.453 -0.087 20 0 FBADHN Cc1ccccc1C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000565254972 485175310 /nfs/dbraw/zinc/17/53/10/485175310.db2.gz REDWVEKDDKVSLX-HOCLYGCPSA-N 0 3 370.453 -0.087 20 0 FBADHN Cc1ccccc1C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000565254973 485175929 /nfs/dbraw/zinc/17/59/29/485175929.db2.gz REDWVEKDDKVSLX-ZBFHGGJFSA-N 0 3 370.453 -0.087 20 0 FBADHN Cc1cccc(C)c1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565255006 485175649 /nfs/dbraw/zinc/17/56/49/485175649.db2.gz RXNPEMGJLDBTLY-GDBMZVCRSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1cccc(C)c1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565255008 485175629 /nfs/dbraw/zinc/17/56/29/485175629.db2.gz RXNPEMGJLDBTLY-GOEBONIOSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1cccc(C)c1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565255009 485175428 /nfs/dbraw/zinc/17/54/28/485175428.db2.gz RXNPEMGJLDBTLY-HOCLYGCPSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1cccc(C)c1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565255010 485175336 /nfs/dbraw/zinc/17/53/36/485175336.db2.gz RXNPEMGJLDBTLY-ZBFHGGJFSA-N 0 3 358.442 -0.267 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CCN2C1=O ZINC000565255279 485175488 /nfs/dbraw/zinc/17/54/88/485175488.db2.gz SORDUAGHAHIIRQ-BYNSBNAKSA-N 0 3 360.389 -0.432 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CCN2C1=O ZINC000565255280 485175962 /nfs/dbraw/zinc/17/59/62/485175962.db2.gz SORDUAGHAHIIRQ-CBBWQLFWSA-N 0 3 360.389 -0.432 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CCN2C1=O ZINC000565255281 485176041 /nfs/dbraw/zinc/17/60/41/485176041.db2.gz SORDUAGHAHIIRQ-LXTVHRRPSA-N 0 3 360.389 -0.432 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CCN2C1=O ZINC000565255282 485175087 /nfs/dbraw/zinc/17/50/87/485175087.db2.gz SORDUAGHAHIIRQ-ZQDZILKHSA-N 0 3 360.389 -0.432 20 0 FBADHN CSc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000565255376 485175905 /nfs/dbraw/zinc/17/59/05/485175905.db2.gz UQUZIDONFVSKRU-GXTWGEPZSA-N 0 3 362.455 -0.205 20 0 FBADHN CSc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000565255380 485175728 /nfs/dbraw/zinc/17/57/28/485175728.db2.gz UQUZIDONFVSKRU-JSGCOSHPSA-N 0 3 362.455 -0.205 20 0 FBADHN CSc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000565255381 485175020 /nfs/dbraw/zinc/17/50/20/485175020.db2.gz UQUZIDONFVSKRU-OCCSQVGLSA-N 0 3 362.455 -0.205 20 0 FBADHN CSc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000565255382 485175674 /nfs/dbraw/zinc/17/56/74/485175674.db2.gz UQUZIDONFVSKRU-TZMCWYRMSA-N 0 3 362.455 -0.205 20 0 FBADHN CCOc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565255799 485175847 /nfs/dbraw/zinc/17/58/47/485175847.db2.gz WPIBIAKOHSYDSJ-CABCVRRESA-N 0 3 374.441 -0.486 20 0 FBADHN CCOc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565255803 485175263 /nfs/dbraw/zinc/17/52/63/485175263.db2.gz WPIBIAKOHSYDSJ-GJZGRUSLSA-N 0 3 374.441 -0.486 20 0 FBADHN CCOc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565255805 485175418 /nfs/dbraw/zinc/17/54/18/485175418.db2.gz WPIBIAKOHSYDSJ-HUUCEWRRSA-N 0 3 374.441 -0.486 20 0 FBADHN CCOc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565255807 485175746 /nfs/dbraw/zinc/17/57/46/485175746.db2.gz WPIBIAKOHSYDSJ-LSDHHAIUSA-N 0 3 374.441 -0.486 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000565255821 485175827 /nfs/dbraw/zinc/17/58/27/485175827.db2.gz VFZBCVMGJRVFTC-CVEARBPZSA-N 0 3 367.494 -0.171 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000565255824 485175064 /nfs/dbraw/zinc/17/50/64/485175064.db2.gz VFZBCVMGJRVFTC-HOTGVXAUSA-N 0 3 367.494 -0.171 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000565255826 485175407 /nfs/dbraw/zinc/17/54/07/485175407.db2.gz VFZBCVMGJRVFTC-HZPDHXFCSA-N 0 3 367.494 -0.171 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000565255828 485175690 /nfs/dbraw/zinc/17/56/90/485175690.db2.gz VFZBCVMGJRVFTC-JKSUJKDBSA-N 0 3 367.494 -0.171 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@]12CCCO2 ZINC000565256403 485175579 /nfs/dbraw/zinc/17/55/79/485175579.db2.gz ZPTWPZLZFKBGJW-GODIYZJISA-N 0 3 352.435 -0.334 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@@]12CCCO2 ZINC000565256404 485175609 /nfs/dbraw/zinc/17/56/09/485175609.db2.gz ZPTWPZLZFKBGJW-MPZWGZMNSA-N 0 3 352.435 -0.334 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@]12CCCO2 ZINC000565256405 485175942 /nfs/dbraw/zinc/17/59/42/485175942.db2.gz ZPTWPZLZFKBGJW-RKWLLSJHSA-N 0 3 352.435 -0.334 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@@]12CCCO2 ZINC000565256406 485175281 /nfs/dbraw/zinc/17/52/81/485175281.db2.gz ZPTWPZLZFKBGJW-TVRNETQVSA-N 0 3 352.435 -0.334 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)C1 ZINC000565261322 485175781 /nfs/dbraw/zinc/17/57/81/485175781.db2.gz VKRKMDZGQIHFCH-KBPBESRZSA-N 0 3 362.496 -0.372 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C(=O)N1CCOCC1 ZINC000565266958 485175474 /nfs/dbraw/zinc/17/54/74/485175474.db2.gz SJQYPLFFNCDZNX-KBPBESRZSA-N 0 3 354.451 -0.707 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C(=O)N1CCOCC1 ZINC000565266959 485175294 /nfs/dbraw/zinc/17/52/94/485175294.db2.gz SJQYPLFFNCDZNX-KGLIPLIRSA-N 0 3 354.451 -0.707 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C(=O)N1CCOCC1 ZINC000565266960 485176009 /nfs/dbraw/zinc/17/60/09/485176009.db2.gz SJQYPLFFNCDZNX-UONOGXRCSA-N 0 3 354.451 -0.707 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C(=O)N1CCOCC1 ZINC000565267055 485175989 /nfs/dbraw/zinc/17/59/89/485175989.db2.gz SJQYPLFFNCDZNX-ZIAGYGMSSA-N 0 3 354.451 -0.707 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000565270989 485177037 /nfs/dbraw/zinc/17/70/37/485177037.db2.gz GMGJPOMNISKHNS-CABCVRRESA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000565270999 485176535 /nfs/dbraw/zinc/17/65/35/485176535.db2.gz GMGJPOMNISKHNS-GJZGRUSLSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000565271001 485177346 /nfs/dbraw/zinc/17/73/46/485177346.db2.gz GMGJPOMNISKHNS-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000565271002 485176758 /nfs/dbraw/zinc/17/67/58/485176758.db2.gz GMGJPOMNISKHNS-LSDHHAIUSA-N 0 3 352.479 -0.234 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000565272335 485176408 /nfs/dbraw/zinc/17/64/08/485176408.db2.gz ULDWFPXWQYOTCN-CYBMUJFWSA-N 0 3 362.496 -0.675 20 0 FBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)ccn1 ZINC000565294255 485177338 /nfs/dbraw/zinc/17/73/38/485177338.db2.gz ZFFDFLALMYPWOX-DZGCQCFKSA-N 0 3 363.462 -0.024 20 0 FBADHN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)ccn1 ZINC000565294257 485177134 /nfs/dbraw/zinc/17/71/34/485177134.db2.gz ZFFDFLALMYPWOX-HIFRSBDPSA-N 0 3 363.462 -0.024 20 0 FBADHN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)ccn1 ZINC000565294258 485177272 /nfs/dbraw/zinc/17/72/72/485177272.db2.gz ZFFDFLALMYPWOX-UKRRQHHQSA-N 0 3 363.462 -0.024 20 0 FBADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)ccn1 ZINC000565294260 485176836 /nfs/dbraw/zinc/17/68/36/485176836.db2.gz ZFFDFLALMYPWOX-ZFWWWQNUSA-N 0 3 363.462 -0.024 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)CC1=O ZINC000565295398 485177222 /nfs/dbraw/zinc/17/72/22/485177222.db2.gz CEJNVYXPNQRHRZ-HNNXBMFYSA-N 0 3 364.446 -0.548 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2ccc(C)cc2=O)CC1=O ZINC000565295399 485176854 /nfs/dbraw/zinc/17/68/54/485176854.db2.gz CEJNVYXPNQRHRZ-OAHLLOKOSA-N 0 3 364.446 -0.548 20 0 FBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000565295566 485177211 /nfs/dbraw/zinc/17/72/11/485177211.db2.gz VSUYVQOJSVVBKL-ARFHVFGLSA-N 0 3 370.494 -0.704 20 0 FBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000565295567 485176439 /nfs/dbraw/zinc/17/64/39/485176439.db2.gz VSUYVQOJSVVBKL-BZUAXINKSA-N 0 3 370.494 -0.704 20 0 FBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000565295568 485176672 /nfs/dbraw/zinc/17/66/72/485176672.db2.gz VSUYVQOJSVVBKL-HRCADAONSA-N 0 3 370.494 -0.704 20 0 FBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000565295569 485176810 /nfs/dbraw/zinc/17/68/10/485176810.db2.gz VSUYVQOJSVVBKL-OWCLPIDISA-N 0 3 370.494 -0.704 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@H](C)C1 ZINC000565296329 484428278 /nfs/dbraw/zinc/42/82/78/484428278.db2.gz SZSQRVCPUZNAIJ-CYBMUJFWSA-N 0 3 372.495 0.332 20 0 FBADHN O=C(CCOC1CNC1)NCCCCN1CCN(c2ncccn2)CC1 ZINC000565301342 485176583 /nfs/dbraw/zinc/17/65/83/485176583.db2.gz UCPUAIWMHOTFTL-UHFFFAOYSA-N 0 3 362.478 -0.127 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCn3c4ccccc4[nH]c3=O)CCN2C1=O ZINC000565315213 485177779 /nfs/dbraw/zinc/17/77/79/485177779.db2.gz PGXJJBOWZIVTRK-NEPJUHHUSA-N 0 3 358.402 -0.305 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCn3c4ccccc4[nH]c3=O)CCN2C1=O ZINC000565315214 485178109 /nfs/dbraw/zinc/17/81/09/485178109.db2.gz PGXJJBOWZIVTRK-NWDGAFQWSA-N 0 3 358.402 -0.305 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCn3c4ccccc4[nH]c3=O)CCN2C1=O ZINC000565315215 485177862 /nfs/dbraw/zinc/17/78/62/485177862.db2.gz PGXJJBOWZIVTRK-RYUDHWBXSA-N 0 3 358.402 -0.305 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCn3c4ccccc4[nH]c3=O)CCN2C1=O ZINC000565315216 485178440 /nfs/dbraw/zinc/17/84/40/485178440.db2.gz PGXJJBOWZIVTRK-VXGBXAGGSA-N 0 3 358.402 -0.305 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CCN2C1=O ZINC000565315642 485177657 /nfs/dbraw/zinc/17/76/57/485177657.db2.gz VSLPXAAUNFQFPO-QLFBSQMISA-N 0 3 363.462 -0.315 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CCN2C1=O ZINC000565315648 485178587 /nfs/dbraw/zinc/17/85/87/485178587.db2.gz VSLPXAAUNFQFPO-RBSFLKMASA-N 0 3 363.462 -0.315 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CCN2C1=O ZINC000565315649 485177917 /nfs/dbraw/zinc/17/79/17/485177917.db2.gz VSLPXAAUNFQFPO-RRFJBIMHSA-N 0 3 363.462 -0.315 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CCN2C1=O ZINC000565315650 485178472 /nfs/dbraw/zinc/17/84/72/485178472.db2.gz VSLPXAAUNFQFPO-SOUVJXGZSA-N 0 3 363.462 -0.315 20 0 FBADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565316086 485178488 /nfs/dbraw/zinc/17/84/88/485178488.db2.gz ZZDQNHWIRIEGPS-CMPLNLGQSA-N 0 3 372.385 -0.710 20 0 FBADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565316087 485178450 /nfs/dbraw/zinc/17/84/50/485178450.db2.gz ZZDQNHWIRIEGPS-JQWIXIFHSA-N 0 3 372.385 -0.710 20 0 FBADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565316088 485178148 /nfs/dbraw/zinc/17/81/48/485178148.db2.gz ZZDQNHWIRIEGPS-PWSUYJOCSA-N 0 3 372.385 -0.710 20 0 FBADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565316089 485177790 /nfs/dbraw/zinc/17/77/90/485177790.db2.gz ZZDQNHWIRIEGPS-ZYHUDNBSSA-N 0 3 372.385 -0.710 20 0 FBADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000565330493 485178042 /nfs/dbraw/zinc/17/80/42/485178042.db2.gz UUNHBADNZBZBNV-BFHYXJOUSA-N 0 3 374.507 -0.675 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000565330494 485177833 /nfs/dbraw/zinc/17/78/33/485177833.db2.gz UUNHBADNZBZBNV-MCIONIFRSA-N 0 3 374.507 -0.675 20 0 FBADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000565330495 485178369 /nfs/dbraw/zinc/17/83/69/485178369.db2.gz UUNHBADNZBZBNV-MGPQQGTHSA-N 0 3 374.507 -0.675 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000565330496 485178526 /nfs/dbraw/zinc/17/85/26/485178526.db2.gz UUNHBADNZBZBNV-MJBXVCDLSA-N 0 3 374.507 -0.675 20 0 FBADHN CNc1nc(N[C@H](C)Cn2ccnc2)nc(N[C@@H](C)Cn2ccnc2)n1 ZINC000565336018 485178454 /nfs/dbraw/zinc/17/84/54/485178454.db2.gz JLCZCXDVRSKHIL-BETUJISGSA-N 0 3 356.438 -0.427 20 0 FBADHN CNc1nc(N[C@H](C)Cn2ccnc2)nc(N[C@H](C)Cn2ccnc2)n1 ZINC000565336019 485177932 /nfs/dbraw/zinc/17/79/32/485177932.db2.gz JLCZCXDVRSKHIL-CHWSQXEVSA-N 0 3 356.438 -0.427 20 0 FBADHN CNc1nc(N[C@@H](C)Cn2ccnc2)nc(N[C@@H](C)Cn2ccnc2)n1 ZINC000565336020 485178464 /nfs/dbraw/zinc/17/84/64/485178464.db2.gz JLCZCXDVRSKHIL-STQMWFEESA-N 0 3 356.438 -0.427 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)NC(C)(CO)CO)c1 ZINC000565342323 485179740 /nfs/dbraw/zinc/17/97/40/485179740.db2.gz KFVJTFXMOUKBSA-UHFFFAOYSA-N 0 3 352.435 -0.480 20 0 FBADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H](C)C2)n[nH]1 ZINC000565348096 485179107 /nfs/dbraw/zinc/17/91/07/485179107.db2.gz WYHFEJHCLOEVDY-GDBMZVCRSA-N 0 3 360.462 -0.219 20 0 FBADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H](C)C2)[nH]n1 ZINC000565348096 485179101 /nfs/dbraw/zinc/17/91/01/485179101.db2.gz WYHFEJHCLOEVDY-GDBMZVCRSA-N 0 3 360.462 -0.219 20 0 FBADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H](C)C2)n[nH]1 ZINC000565348097 485179282 /nfs/dbraw/zinc/17/92/82/485179282.db2.gz WYHFEJHCLOEVDY-ZBFHGGJFSA-N 0 3 360.462 -0.219 20 0 FBADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H](C)C2)[nH]n1 ZINC000565348097 485179278 /nfs/dbraw/zinc/17/92/78/485179278.db2.gz WYHFEJHCLOEVDY-ZBFHGGJFSA-N 0 3 360.462 -0.219 20 0 FBADHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000565357538 485179637 /nfs/dbraw/zinc/17/96/37/485179637.db2.gz NXMJPPPOGNFMFX-KRWDZBQOSA-N 0 3 370.457 -0.068 20 0 FBADHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000565357539 485178984 /nfs/dbraw/zinc/17/89/84/485178984.db2.gz NXMJPPPOGNFMFX-QGZVFWFLSA-N 0 3 370.457 -0.068 20 0 FBADHN COC(=O)C1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)(C(=O)OC)CC1 ZINC000565364559 485179025 /nfs/dbraw/zinc/17/90/25/485179025.db2.gz FAHIZRLSINDIDZ-XKZABGERSA-N 0 3 371.434 -0.523 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCN2C1=O ZINC000565371383 485180670 /nfs/dbraw/zinc/18/06/70/485180670.db2.gz GQAWPTGLSCLGSY-BDAKNGLRSA-N 0 3 353.429 -0.376 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCN2C1=O ZINC000565371384 485180639 /nfs/dbraw/zinc/18/06/39/485180639.db2.gz GQAWPTGLSCLGSY-DTWKUNHWSA-N 0 3 353.429 -0.376 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCN2C1=O ZINC000565371385 483902109 /nfs/dbraw/zinc/90/21/09/483902109.db2.gz GQAWPTGLSCLGSY-IUCAKERBSA-N 0 3 353.429 -0.376 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCN2C1=O ZINC000565371386 483902162 /nfs/dbraw/zinc/90/21/62/483902162.db2.gz GQAWPTGLSCLGSY-RKDXNWHRSA-N 0 3 353.429 -0.376 20 0 FBADHN COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000565372094 485180337 /nfs/dbraw/zinc/18/03/37/485180337.db2.gz ITRBJTYHFUNIRQ-CABCVRRESA-N 0 3 362.430 -0.308 20 0 FBADHN COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000565372095 485180062 /nfs/dbraw/zinc/18/00/62/485180062.db2.gz ITRBJTYHFUNIRQ-GJZGRUSLSA-N 0 3 362.430 -0.308 20 0 FBADHN COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000565372096 485180580 /nfs/dbraw/zinc/18/05/80/485180580.db2.gz ITRBJTYHFUNIRQ-HUUCEWRRSA-N 0 3 362.430 -0.308 20 0 FBADHN COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000565372097 485180878 /nfs/dbraw/zinc/18/08/78/485180878.db2.gz ITRBJTYHFUNIRQ-LSDHHAIUSA-N 0 3 362.430 -0.308 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)Cc3noc4ccccc43)CCN2C1=O ZINC000565373460 485180082 /nfs/dbraw/zinc/18/00/82/485180082.db2.gz WDMJPSGFWDSBQG-CMPLNLGQSA-N 0 3 350.400 -0.099 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)Cc3noc4ccccc43)CCN2C1=O ZINC000565373461 485180305 /nfs/dbraw/zinc/18/03/05/485180305.db2.gz WDMJPSGFWDSBQG-JQWIXIFHSA-N 0 3 350.400 -0.099 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3noc4ccccc43)CCN2C1=O ZINC000565373462 485180205 /nfs/dbraw/zinc/18/02/05/485180205.db2.gz WDMJPSGFWDSBQG-PWSUYJOCSA-N 0 3 350.400 -0.099 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3noc4ccccc43)CCN2C1=O ZINC000565373463 485180437 /nfs/dbraw/zinc/18/04/37/485180437.db2.gz WDMJPSGFWDSBQG-ZYHUDNBSSA-N 0 3 350.400 -0.099 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cn1C ZINC000565416533 485181868 /nfs/dbraw/zinc/18/18/68/485181868.db2.gz RWXDKZRPBCSYLD-GFCCVEGCSA-N 0 3 369.491 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1C ZINC000565416534 485181588 /nfs/dbraw/zinc/18/15/88/485181588.db2.gz RWXDKZRPBCSYLD-LBPRGKRZSA-N 0 3 369.491 -0.003 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(OCCF)c3)CCN2C1=O ZINC000565430269 485181903 /nfs/dbraw/zinc/18/19/03/485181903.db2.gz FGJXQMJOUCNFSL-GXTWGEPZSA-N 0 3 364.377 -0.256 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(OCCF)c3)CCN2C1=O ZINC000565430283 485181374 /nfs/dbraw/zinc/18/13/74/485181374.db2.gz FGJXQMJOUCNFSL-JSGCOSHPSA-N 0 3 364.377 -0.256 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCCF)c3)CCN2C1=O ZINC000565430285 485181388 /nfs/dbraw/zinc/18/13/88/485181388.db2.gz FGJXQMJOUCNFSL-OCCSQVGLSA-N 0 3 364.377 -0.256 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(OCCF)c3)CCN2C1=O ZINC000565430288 485181420 /nfs/dbraw/zinc/18/14/20/485181420.db2.gz FGJXQMJOUCNFSL-TZMCWYRMSA-N 0 3 364.377 -0.256 20 0 FBADHN CNC(=O)C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000565431096 485181573 /nfs/dbraw/zinc/18/15/73/485181573.db2.gz KSYLHXPXXPWPHD-ILXRZTDVSA-N 0 3 359.430 -0.183 20 0 FBADHN CNC(=O)C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000565431097 485182011 /nfs/dbraw/zinc/18/20/11/485182011.db2.gz KSYLHXPXXPWPHD-KFWWJZLASA-N 0 3 359.430 -0.183 20 0 FBADHN CNC(=O)C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000565431098 485181460 /nfs/dbraw/zinc/18/14/60/485181460.db2.gz KSYLHXPXXPWPHD-KKUMJFAQSA-N 0 3 359.430 -0.183 20 0 FBADHN CNC(=O)C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000565431099 485181622 /nfs/dbraw/zinc/18/16/22/485181622.db2.gz KSYLHXPXXPWPHD-ZNMIVQPWSA-N 0 3 359.430 -0.183 20 0 FBADHN CCOC(=O)CSc1nnc([N-]C(=O)c2cn(CC[NH3+])nn2)s1 ZINC000565431543 485181961 /nfs/dbraw/zinc/18/19/61/485181961.db2.gz MJRYVJPQPVUVFW-UHFFFAOYSA-N 0 3 357.421 -0.004 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CCN2C1=O ZINC000565432477 485181719 /nfs/dbraw/zinc/18/17/19/485181719.db2.gz ODVPGMJAKIGYOC-BBWFWOEESA-N 0 3 370.453 -0.010 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)CCN2C1=O ZINC000565432484 485181473 /nfs/dbraw/zinc/18/14/73/485181473.db2.gz ODVPGMJAKIGYOC-BRWVUGGUSA-N 0 3 370.453 -0.010 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)CCN2C1=O ZINC000565432486 485181827 /nfs/dbraw/zinc/18/18/27/485181827.db2.gz ODVPGMJAKIGYOC-GVDBMIGSSA-N 0 3 370.453 -0.010 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CCN2C1=O ZINC000565432488 485181307 /nfs/dbraw/zinc/18/13/07/485181307.db2.gz ODVPGMJAKIGYOC-ZACQAIPSSA-N 0 3 370.453 -0.010 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cccnc1 ZINC000565434394 485181561 /nfs/dbraw/zinc/18/15/61/485181561.db2.gz JSNAFYVKVSIDST-HNNXBMFYSA-N 0 3 361.446 -0.243 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccnc1 ZINC000565434397 485181503 /nfs/dbraw/zinc/18/15/03/485181503.db2.gz JSNAFYVKVSIDST-OAHLLOKOSA-N 0 3 361.446 -0.243 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CCN(C2CCC2)C1 ZINC000565437472 485182603 /nfs/dbraw/zinc/18/26/03/485182603.db2.gz GUDFHLWMWTWCDO-GFCCVEGCSA-N 0 3 362.434 -0.360 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CCN(C2CCC2)C1 ZINC000565437481 485183022 /nfs/dbraw/zinc/18/30/22/485183022.db2.gz GUDFHLWMWTWCDO-LBPRGKRZSA-N 0 3 362.434 -0.360 20 0 FBADHN COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000565444278 485182438 /nfs/dbraw/zinc/18/24/38/485182438.db2.gz PGWPGZGHJSNGBP-CVEARBPZSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000565444283 485183072 /nfs/dbraw/zinc/18/30/72/485183072.db2.gz PGWPGZGHJSNGBP-HOTGVXAUSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000565444284 485183194 /nfs/dbraw/zinc/18/31/94/485183194.db2.gz PGWPGZGHJSNGBP-HZPDHXFCSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000565444288 485182933 /nfs/dbraw/zinc/18/29/33/485182933.db2.gz PGWPGZGHJSNGBP-JKSUJKDBSA-N 0 3 371.478 -0.134 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000565444698 485183035 /nfs/dbraw/zinc/18/30/35/485183035.db2.gz QKLZNSLFDLVOPZ-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000565444717 485182309 /nfs/dbraw/zinc/18/23/09/485182309.db2.gz QKLZNSLFDLVOPZ-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN CN1CCN(C[C@@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478962 483598398 /nfs/dbraw/zinc/59/83/98/483598398.db2.gz ZOLKENZZSPORIV-KBPBESRZSA-N 0 3 354.417 -0.553 20 0 FBADHN CN1CCN(C[C@H](O)CNC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478963 483598412 /nfs/dbraw/zinc/59/84/12/483598412.db2.gz ZOLKENZZSPORIV-KGLIPLIRSA-N 0 3 354.417 -0.553 20 0 FBADHN CN1CCN(C[C@@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478964 483597729 /nfs/dbraw/zinc/59/77/29/483597729.db2.gz ZOLKENZZSPORIV-UONOGXRCSA-N 0 3 354.417 -0.553 20 0 FBADHN CN1CCN(C[C@H](O)CNC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478965 483598289 /nfs/dbraw/zinc/59/82/89/483598289.db2.gz ZOLKENZZSPORIV-ZIAGYGMSSA-N 0 3 354.417 -0.553 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000565489997 485184086 /nfs/dbraw/zinc/18/40/86/485184086.db2.gz DZNXAEYEBWSTAK-QLFBSQMISA-N 0 3 360.414 -0.739 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000565489999 485183877 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/nfs/dbraw/zinc/18/88/89/485188889.db2.gz STZDJEJVEQAHCD-LBPRGKRZSA-N 0 3 354.769 -0.211 20 0 FBADHN CN1CCC(n2ccc(NC(=O)N3CCN(C(=O)CO)CC3)n2)CC1 ZINC000565650726 484136199 /nfs/dbraw/zinc/13/61/99/484136199.db2.gz PFSIUEQJKJSARF-UHFFFAOYSA-N 0 3 350.423 -0.182 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC(Cc3cccnc3)CC2)[C@@H](CN)C1 ZINC000565651574 485189796 /nfs/dbraw/zinc/18/97/96/485189796.db2.gz LVCFFPHIHOYRDS-KRWDZBQOSA-N 0 3 359.474 -0.036 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC(Cc3cccnc3)CC2)[C@H](CN)C1 ZINC000565651587 485189839 /nfs/dbraw/zinc/18/98/39/485189839.db2.gz LVCFFPHIHOYRDS-QGZVFWFLSA-N 0 3 359.474 -0.036 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2CCN(C)CC2)cc1 ZINC000565652480 485189712 /nfs/dbraw/zinc/18/97/12/485189712.db2.gz QLYGSSQPOMHSCZ-INIZCTEOSA-N 0 3 370.519 -0.529 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)CN2CCN(C)CC2)cc1 ZINC000565652481 485189455 /nfs/dbraw/zinc/18/94/55/485189455.db2.gz QLYGSSQPOMHSCZ-MRXNPFEDSA-N 0 3 370.519 -0.529 20 0 FBADHN COCc1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565667162 485189738 /nfs/dbraw/zinc/18/97/38/485189738.db2.gz JRVWKDFSOCBLIE-CABCVRRESA-N 0 3 353.444 -0.093 20 0 FBADHN COCc1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565667163 485189750 /nfs/dbraw/zinc/18/97/50/485189750.db2.gz JRVWKDFSOCBLIE-GJZGRUSLSA-N 0 3 353.444 -0.093 20 0 FBADHN COCc1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565667164 485189651 /nfs/dbraw/zinc/18/96/51/485189651.db2.gz JRVWKDFSOCBLIE-HUUCEWRRSA-N 0 3 353.444 -0.093 20 0 FBADHN COCc1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565667165 485189422 /nfs/dbraw/zinc/18/94/22/485189422.db2.gz JRVWKDFSOCBLIE-LSDHHAIUSA-N 0 3 353.444 -0.093 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccn(CCN(C)C)n1 ZINC000565668199 485189815 /nfs/dbraw/zinc/18/98/15/485189815.db2.gz YPEMYXCJRRFEDK-NEPJUHHUSA-N 0 3 353.423 -0.369 20 0 FBADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccn(CCN(C)C)n1 ZINC000565668201 485190035 /nfs/dbraw/zinc/19/00/35/485190035.db2.gz YPEMYXCJRRFEDK-NWDGAFQWSA-N 0 3 353.423 -0.369 20 0 FBADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccn(CCN(C)C)n1 ZINC000565668202 485189969 /nfs/dbraw/zinc/18/99/69/485189969.db2.gz YPEMYXCJRRFEDK-RYUDHWBXSA-N 0 3 353.423 -0.369 20 0 FBADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccn(CCN(C)C)n1 ZINC000565668203 485189661 /nfs/dbraw/zinc/18/96/61/485189661.db2.gz YPEMYXCJRRFEDK-VXGBXAGGSA-N 0 3 353.423 -0.369 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)CCN2C1=O ZINC000565672499 485190757 /nfs/dbraw/zinc/19/07/57/485190757.db2.gz WSXLHAOTWFFFHP-BRXULGCHSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)CCN2C1=O ZINC000565672507 485191248 /nfs/dbraw/zinc/19/12/48/485191248.db2.gz WSXLHAOTWFFFHP-JXFSHQFZSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)CCN2C1=O ZINC000565672508 485191037 /nfs/dbraw/zinc/19/10/37/485191037.db2.gz WSXLHAOTWFFFHP-QCQGSNGOSA-N 0 3 374.416 -0.042 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)CCN2C1=O ZINC000565672511 485190844 /nfs/dbraw/zinc/19/08/44/485190844.db2.gz WSXLHAOTWFFFHP-WFGGJUAMSA-N 0 3 374.416 -0.042 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000565679120 485191268 /nfs/dbraw/zinc/19/12/68/485191268.db2.gz WEAJFVNDSNMFKR-INIZCTEOSA-N 0 3 353.444 -0.171 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000565679123 485190485 /nfs/dbraw/zinc/19/04/85/485190485.db2.gz WEAJFVNDSNMFKR-MRXNPFEDSA-N 0 3 353.444 -0.171 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(C[C@@H](O)CN(C)CCOC)CC1 ZINC000565695750 483669761 /nfs/dbraw/zinc/66/97/61/483669761.db2.gz UOKVFPRMTLURTC-HNNXBMFYSA-N 0 3 351.513 -0.329 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(C[C@H](O)CN(C)CCOC)CC1 ZINC000565695751 483670059 /nfs/dbraw/zinc/67/00/59/483670059.db2.gz UOKVFPRMTLURTC-OAHLLOKOSA-N 0 3 351.513 -0.329 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1=O ZINC000565708666 485191355 /nfs/dbraw/zinc/19/13/55/485191355.db2.gz PKFSJOUVGNWUQF-KBPBESRZSA-N 0 3 359.492 -0.320 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1=O ZINC000565708677 483671037 /nfs/dbraw/zinc/67/10/37/483671037.db2.gz PKFSJOUVGNWUQF-KGLIPLIRSA-N 0 3 359.492 -0.320 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1=O ZINC000565708680 483670966 /nfs/dbraw/zinc/67/09/66/483670966.db2.gz PKFSJOUVGNWUQF-UONOGXRCSA-N 0 3 359.492 -0.320 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1=O ZINC000565708688 483671463 /nfs/dbraw/zinc/67/14/63/483671463.db2.gz PKFSJOUVGNWUQF-ZIAGYGMSSA-N 0 3 359.492 -0.320 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000565714661 485190817 /nfs/dbraw/zinc/19/08/17/485190817.db2.gz PVRVZWVXKHNKHW-AWEZNQCLSA-N 0 3 370.475 -0.674 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000565714666 485190809 /nfs/dbraw/zinc/19/08/09/485190809.db2.gz PVRVZWVXKHNKHW-CQSZACIVSA-N 0 3 370.475 -0.674 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ncccc3N3CCOCC3)CCN2C1=O ZINC000565727029 485191752 /nfs/dbraw/zinc/19/17/52/485191752.db2.gz AKQKAUXLTSBKJF-CHWSQXEVSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ncccc3N3CCOCC3)CCN2C1=O ZINC000565727030 485192375 /nfs/dbraw/zinc/19/23/75/485192375.db2.gz AKQKAUXLTSBKJF-OLZOCXBDSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ncccc3N3CCOCC3)CCN2C1=O ZINC000565727031 485192480 /nfs/dbraw/zinc/19/24/80/485192480.db2.gz AKQKAUXLTSBKJF-QWHCGFSZSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ncccc3N3CCOCC3)CCN2C1=O ZINC000565727032 485191730 /nfs/dbraw/zinc/19/17/30/485191730.db2.gz AKQKAUXLTSBKJF-STQMWFEESA-N 0 3 360.418 -0.306 20 0 FBADHN COCCN(C)CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000565733714 485191871 /nfs/dbraw/zinc/19/18/71/485191871.db2.gz JMFMQWCKOGVQJM-CYBMUJFWSA-N 0 3 365.500 -0.865 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000565738084 485192413 /nfs/dbraw/zinc/19/24/13/485192413.db2.gz RPYZYLSOZJBENA-UHFFFAOYSA-N 0 3 357.451 -0.664 20 0 FBADHN O=C(CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)NCCN1CCCCCC1 ZINC000565752954 485193544 /nfs/dbraw/zinc/19/35/44/485193544.db2.gz FTCWLHUWQKGTQV-HUUCEWRRSA-N 0 3 365.478 -0.101 20 0 FBADHN NS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC000565762073 485193568 /nfs/dbraw/zinc/19/35/68/485193568.db2.gz BDUAGUILEIRUIC-AWEZNQCLSA-N 0 3 355.460 -0.161 20 0 FBADHN NS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC000565762074 485193015 /nfs/dbraw/zinc/19/30/15/485193015.db2.gz BDUAGUILEIRUIC-CQSZACIVSA-N 0 3 355.460 -0.161 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000565764868 485193355 /nfs/dbraw/zinc/19/33/55/485193355.db2.gz TYKFDONFNLLRQJ-AWEZNQCLSA-N 0 3 369.491 -0.442 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000565764870 485193133 /nfs/dbraw/zinc/19/31/33/485193133.db2.gz TYKFDONFNLLRQJ-CQSZACIVSA-N 0 3 369.491 -0.442 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2nnc3n2CCCC3)CCSC1 ZINC000565788325 485194360 /nfs/dbraw/zinc/19/43/60/485194360.db2.gz FZXJTEZOWCVDPP-INIZCTEOSA-N 0 3 366.491 -0.216 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2nnc3n2CCCC3)CCSC1 ZINC000565788327 485194521 /nfs/dbraw/zinc/19/45/21/485194521.db2.gz FZXJTEZOWCVDPP-MRXNPFEDSA-N 0 3 366.491 -0.216 20 0 FBADHN CC(=O)N1CCCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000565795802 485194401 /nfs/dbraw/zinc/19/44/01/485194401.db2.gz PYORBDYCABAPOM-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CC(=O)N1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000565795803 485194475 /nfs/dbraw/zinc/19/44/75/485194475.db2.gz PYORBDYCABAPOM-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000565824202 485194164 /nfs/dbraw/zinc/19/41/64/485194164.db2.gz HJXNLKMSMNSNKY-DAYGRLMNSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000565824204 485194377 /nfs/dbraw/zinc/19/43/77/485194377.db2.gz HJXNLKMSMNSNKY-HDMKZQKVSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000565824205 485194245 /nfs/dbraw/zinc/19/42/45/485194245.db2.gz HJXNLKMSMNSNKY-MPGHIAIKSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000565824206 485194638 /nfs/dbraw/zinc/19/46/38/485194638.db2.gz HJXNLKMSMNSNKY-RLFYNMQTSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000565834202 485195027 /nfs/dbraw/zinc/19/50/27/485195027.db2.gz ZPYUXKUPPIFHKD-CHWSQXEVSA-N 0 3 362.430 -0.081 20 0 FBADHN C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000565834203 485195336 /nfs/dbraw/zinc/19/53/36/485195336.db2.gz ZPYUXKUPPIFHKD-OLZOCXBDSA-N 0 3 362.430 -0.081 20 0 FBADHN C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000565834204 485195605 /nfs/dbraw/zinc/19/56/05/485195605.db2.gz ZPYUXKUPPIFHKD-QWHCGFSZSA-N 0 3 362.430 -0.081 20 0 FBADHN C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000565834205 485195537 /nfs/dbraw/zinc/19/55/37/485195537.db2.gz ZPYUXKUPPIFHKD-STQMWFEESA-N 0 3 362.430 -0.081 20 0 FBADHN Nc1nc(C(=O)NC2CC(N3CCCCC3)C2)nc(N2CCOCC2)n1 ZINC000565838009 484555799 /nfs/dbraw/zinc/55/57/99/484555799.db2.gz ITIVFVMGXFVRCQ-UHFFFAOYSA-N 0 3 361.450 0.037 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843039 485195406 /nfs/dbraw/zinc/19/54/06/485195406.db2.gz WYKXYTWFDBIDJF-AEFFLSMTSA-N 0 3 370.538 -0.010 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843041 485195565 /nfs/dbraw/zinc/19/55/65/485195565.db2.gz WYKXYTWFDBIDJF-FUHWJXTLSA-N 0 3 370.538 -0.010 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843042 485195302 /nfs/dbraw/zinc/19/53/02/485195302.db2.gz WYKXYTWFDBIDJF-SJLPKXTDSA-N 0 3 370.538 -0.010 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843043 485195097 /nfs/dbraw/zinc/19/50/97/485195097.db2.gz WYKXYTWFDBIDJF-WMZOPIPTSA-N 0 3 370.538 -0.010 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 ZINC000565853306 485195484 /nfs/dbraw/zinc/19/54/84/485195484.db2.gz HLPDLGRCTVCPIA-AWEZNQCLSA-N 0 3 356.467 -0.412 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 ZINC000565853328 485195586 /nfs/dbraw/zinc/19/55/86/485195586.db2.gz HLPDLGRCTVCPIA-CQSZACIVSA-N 0 3 356.467 -0.412 20 0 FBADHN CS[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000565853970 485194959 /nfs/dbraw/zinc/19/49/59/485194959.db2.gz NBNKSNFVTQXIKW-CHWSQXEVSA-N 0 3 356.492 -0.381 20 0 FBADHN CS[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000565853973 485195601 /nfs/dbraw/zinc/19/56/01/485195601.db2.gz NBNKSNFVTQXIKW-OLZOCXBDSA-N 0 3 356.492 -0.381 20 0 FBADHN CS[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000565853974 485195525 /nfs/dbraw/zinc/19/55/25/485195525.db2.gz NBNKSNFVTQXIKW-QWHCGFSZSA-N 0 3 356.492 -0.381 20 0 FBADHN CS[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000565853975 485195596 /nfs/dbraw/zinc/19/55/96/485195596.db2.gz NBNKSNFVTQXIKW-STQMWFEESA-N 0 3 356.492 -0.381 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000565882655 485196387 /nfs/dbraw/zinc/19/63/87/485196387.db2.gz MGEDJXLUEZBNIQ-UHFFFAOYSA-N 0 3 362.411 -0.133 20 0 FBADHN C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000565882867 485196362 /nfs/dbraw/zinc/19/63/62/485196362.db2.gz SVJOLSKDUKBBSP-GXTWGEPZSA-N 0 3 352.410 -0.190 20 0 FBADHN C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000565882877 485196207 /nfs/dbraw/zinc/19/62/07/485196207.db2.gz SVJOLSKDUKBBSP-JSGCOSHPSA-N 0 3 352.410 -0.190 20 0 FBADHN C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000565882878 485196391 /nfs/dbraw/zinc/19/63/91/485196391.db2.gz SVJOLSKDUKBBSP-OCCSQVGLSA-N 0 3 352.410 -0.190 20 0 FBADHN C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000565882879 485196589 /nfs/dbraw/zinc/19/65/89/485196589.db2.gz SVJOLSKDUKBBSP-TZMCWYRMSA-N 0 3 352.410 -0.190 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H](CO)O1 ZINC000565883922 485196551 /nfs/dbraw/zinc/19/65/51/485196551.db2.gz RIRYUFMYODTDAR-DJIMGWMZSA-N 0 3 363.458 -0.116 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H](CO)O1 ZINC000565883925 485196242 /nfs/dbraw/zinc/19/62/42/485196242.db2.gz RIRYUFMYODTDAR-HYVNUMGLSA-N 0 3 363.458 -0.116 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](CO)O1 ZINC000565883927 485196015 /nfs/dbraw/zinc/19/60/15/485196015.db2.gz RIRYUFMYODTDAR-OIISXLGYSA-N 0 3 363.458 -0.116 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@@H](CO)O1 ZINC000565883928 485196343 /nfs/dbraw/zinc/19/63/43/485196343.db2.gz RIRYUFMYODTDAR-PVAVHDDUSA-N 0 3 363.458 -0.116 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000565893140 485197613 /nfs/dbraw/zinc/19/76/13/485197613.db2.gz SCAKOFBUBAQMQP-DZKIICNBSA-N 0 3 368.457 -0.452 20 0 FBADHN C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000565901369 485197692 /nfs/dbraw/zinc/19/76/92/485197692.db2.gz MJTBHRYNGLXITF-PMACEKPBSA-N 0 3 373.453 -0.034 20 0 FBADHN C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000565901370 485197025 /nfs/dbraw/zinc/19/70/25/485197025.db2.gz MJTBHRYNGLXITF-UXHICEINSA-N 0 3 373.453 -0.034 20 0 FBADHN C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000565901371 485197463 /nfs/dbraw/zinc/19/74/63/485197463.db2.gz MJTBHRYNGLXITF-VQTJNVASSA-N 0 3 373.453 -0.034 20 0 FBADHN C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000565901372 485197755 /nfs/dbraw/zinc/19/77/55/485197755.db2.gz MJTBHRYNGLXITF-WOJBJXKFSA-N 0 3 373.453 -0.034 20 0 FBADHN Cc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000565901860 485197414 /nfs/dbraw/zinc/19/74/14/485197414.db2.gz AREYMBQKBYJMOG-CAOSSQGBSA-N 0 3 356.426 -0.262 20 0 FBADHN Cc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000565901861 485197420 /nfs/dbraw/zinc/19/74/20/485197420.db2.gz AREYMBQKBYJMOG-FXUDXRNXSA-N 0 3 356.426 -0.262 20 0 FBADHN Cc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000565901862 485197000 /nfs/dbraw/zinc/19/70/00/485197000.db2.gz AREYMBQKBYJMOG-QKPAOTATSA-N 0 3 356.426 -0.262 20 0 FBADHN Cc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000565901863 485197769 /nfs/dbraw/zinc/19/77/69/485197769.db2.gz AREYMBQKBYJMOG-YHUYYLMFSA-N 0 3 356.426 -0.262 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(F)cc1F ZINC000565901979 485197011 /nfs/dbraw/zinc/19/70/11/485197011.db2.gz HAWCZGROYARDQS-GLXFQSAKSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(F)cc1F ZINC000565901980 485196985 /nfs/dbraw/zinc/19/69/85/485196985.db2.gz HAWCZGROYARDQS-OLUVUFQESA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(F)cc1F ZINC000565901981 485197080 /nfs/dbraw/zinc/19/70/80/485197080.db2.gz HAWCZGROYARDQS-PUYPPJJSSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(F)cc1F ZINC000565901982 485197743 /nfs/dbraw/zinc/19/77/43/485197743.db2.gz HAWCZGROYARDQS-UDZFHETQSA-N 0 3 366.368 -0.088 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000565902614 485197241 /nfs/dbraw/zinc/19/72/41/485197241.db2.gz ZUJJBSOIBZVIRC-KBPBESRZSA-N 0 3 372.429 -0.609 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000565902615 485197167 /nfs/dbraw/zinc/19/71/67/485197167.db2.gz ZUJJBSOIBZVIRC-KGLIPLIRSA-N 0 3 372.429 -0.609 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000565902616 485197201 /nfs/dbraw/zinc/19/72/01/485197201.db2.gz ZUJJBSOIBZVIRC-UONOGXRCSA-N 0 3 372.429 -0.609 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000565902617 485197296 /nfs/dbraw/zinc/19/72/96/485197296.db2.gz ZUJJBSOIBZVIRC-ZIAGYGMSSA-N 0 3 372.429 -0.609 20 0 FBADHN C[C@@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)NCCN(C)C ZINC000565908442 485197440 /nfs/dbraw/zinc/19/74/40/485197440.db2.gz LUXINJALLCWFBR-DOMZBBRYSA-N 0 3 374.441 -0.312 20 0 FBADHN C[C@@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)NCCN(C)C ZINC000565908443 485197407 /nfs/dbraw/zinc/19/74/07/485197407.db2.gz LUXINJALLCWFBR-IUODEOHRSA-N 0 3 374.441 -0.312 20 0 FBADHN C[C@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)NCCN(C)C ZINC000565908444 485197218 /nfs/dbraw/zinc/19/72/18/485197218.db2.gz LUXINJALLCWFBR-SWLSCSKDSA-N 0 3 374.441 -0.312 20 0 FBADHN C[C@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)NCCN(C)C ZINC000565908447 485197482 /nfs/dbraw/zinc/19/74/82/485197482.db2.gz LUXINJALLCWFBR-WFASDCNBSA-N 0 3 374.441 -0.312 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000565910164 485197549 /nfs/dbraw/zinc/19/75/49/485197549.db2.gz ZDHGZBHWKBZVBH-ILXRZTDVSA-N 0 3 368.478 -0.319 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC000565910167 485197376 /nfs/dbraw/zinc/19/73/76/485197376.db2.gz ZDHGZBHWKBZVBH-KKUMJFAQSA-N 0 3 368.478 -0.319 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000565910168 485197497 /nfs/dbraw/zinc/19/74/97/485197497.db2.gz ZDHGZBHWKBZVBH-QLFBSQMISA-N 0 3 368.478 -0.319 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC000565910169 485197315 /nfs/dbraw/zinc/19/73/15/485197315.db2.gz ZDHGZBHWKBZVBH-SOUVJXGZSA-N 0 3 368.478 -0.319 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000565910192 485196940 /nfs/dbraw/zinc/19/69/40/485196940.db2.gz WOHAWPOMSQKPIX-CYBMUJFWSA-N 0 3 366.466 -0.296 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000565910195 485197567 /nfs/dbraw/zinc/19/75/67/485197567.db2.gz WOHAWPOMSQKPIX-ZDUSSCGKSA-N 0 3 366.466 -0.296 20 0 FBADHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000565943127 485198228 /nfs/dbraw/zinc/19/82/28/485198228.db2.gz MTIJVTHLCSSPIK-CABCVRRESA-N 0 3 368.478 -0.269 20 0 FBADHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000565943128 485198783 /nfs/dbraw/zinc/19/87/83/485198783.db2.gz MTIJVTHLCSSPIK-GJZGRUSLSA-N 0 3 368.478 -0.269 20 0 FBADHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000565943129 485198157 /nfs/dbraw/zinc/19/81/57/485198157.db2.gz MTIJVTHLCSSPIK-HUUCEWRRSA-N 0 3 368.478 -0.269 20 0 FBADHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000565943130 485198168 /nfs/dbraw/zinc/19/81/68/485198168.db2.gz MTIJVTHLCSSPIK-LSDHHAIUSA-N 0 3 368.478 -0.269 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)[C@@H]2C1 ZINC000565947750 485198512 /nfs/dbraw/zinc/19/85/12/485198512.db2.gz VPZNDXBWDWGCQW-SMDDNHRTSA-N 0 3 357.414 -0.202 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000565951329 485198555 /nfs/dbraw/zinc/19/85/55/485198555.db2.gz OVTCYHVDJXQBMM-JYJNAYRXSA-N 0 3 372.425 -0.813 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000565951332 485198663 /nfs/dbraw/zinc/19/86/63/485198663.db2.gz OVTCYHVDJXQBMM-XHSDSOJGSA-N 0 3 372.425 -0.813 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)n(C)c1 ZINC000565960993 485200085 /nfs/dbraw/zinc/20/00/85/485200085.db2.gz QJYVCGXFHPMLPB-INIZCTEOSA-N 0 3 370.475 -0.538 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)n(C)c1 ZINC000565960994 485199286 /nfs/dbraw/zinc/19/92/86/485199286.db2.gz QJYVCGXFHPMLPB-MRXNPFEDSA-N 0 3 370.475 -0.538 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4cccc(F)c4)CC3)CCN2C1=O ZINC000565961370 485199696 /nfs/dbraw/zinc/19/96/96/485199696.db2.gz BXRWJIRVLMDHTR-CABCVRRESA-N 0 3 374.416 -0.256 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4cccc(F)c4)CC3)CCN2C1=O ZINC000565961384 485200012 /nfs/dbraw/zinc/20/00/12/485200012.db2.gz BXRWJIRVLMDHTR-GJZGRUSLSA-N 0 3 374.416 -0.256 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4cccc(F)c4)CC3)CCN2C1=O ZINC000565961385 485199345 /nfs/dbraw/zinc/19/93/45/485199345.db2.gz BXRWJIRVLMDHTR-HUUCEWRRSA-N 0 3 374.416 -0.256 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4cccc(F)c4)CC3)CCN2C1=O ZINC000565961387 485199883 /nfs/dbraw/zinc/19/98/83/485199883.db2.gz BXRWJIRVLMDHTR-LSDHHAIUSA-N 0 3 374.416 -0.256 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000565962668 485199391 /nfs/dbraw/zinc/19/93/91/485199391.db2.gz YAONLLHGSVTLSG-AAEUAGOBSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000565962671 485200101 /nfs/dbraw/zinc/20/01/01/485200101.db2.gz YAONLLHGSVTLSG-DGCLKSJQSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000565962674 485199529 /nfs/dbraw/zinc/19/95/29/485199529.db2.gz YAONLLHGSVTLSG-WCQYABFASA-N 0 3 364.377 -0.779 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000565962676 485199553 /nfs/dbraw/zinc/19/95/53/485199553.db2.gz YAONLLHGSVTLSG-YPMHNXCESA-N 0 3 364.377 -0.779 20 0 FBADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565962809 485199247 /nfs/dbraw/zinc/19/92/47/485199247.db2.gz LUBNBTNJWHMRAB-BARDWOONSA-N 0 3 374.441 -0.425 20 0 FBADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565962815 485199737 /nfs/dbraw/zinc/19/97/37/485199737.db2.gz LUBNBTNJWHMRAB-KBUPBQIOSA-N 0 3 374.441 -0.425 20 0 FBADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565962817 485199835 /nfs/dbraw/zinc/19/98/35/485199835.db2.gz LUBNBTNJWHMRAB-LXTVHRRPSA-N 0 3 374.441 -0.425 20 0 FBADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565962818 485199134 /nfs/dbraw/zinc/19/91/34/485199134.db2.gz LUBNBTNJWHMRAB-TUVASFSCSA-N 0 3 374.441 -0.425 20 0 FBADHN Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc12 ZINC000565963055 485200022 /nfs/dbraw/zinc/20/00/22/485200022.db2.gz OBQOCHOVCBFOIG-GXTWGEPZSA-N 0 3 370.413 -0.409 20 0 FBADHN Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc12 ZINC000565963056 485199206 /nfs/dbraw/zinc/19/92/06/485199206.db2.gz OBQOCHOVCBFOIG-JSGCOSHPSA-N 0 3 370.413 -0.409 20 0 FBADHN Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc12 ZINC000565963057 485199108 /nfs/dbraw/zinc/19/91/08/485199108.db2.gz OBQOCHOVCBFOIG-OCCSQVGLSA-N 0 3 370.413 -0.409 20 0 FBADHN Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc12 ZINC000565963058 485199577 /nfs/dbraw/zinc/19/95/77/485199577.db2.gz OBQOCHOVCBFOIG-TZMCWYRMSA-N 0 3 370.413 -0.409 20 0 FBADHN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000565988885 485200952 /nfs/dbraw/zinc/20/09/52/485200952.db2.gz KJJXCQVENRTPAV-IKGGRYGDSA-N 0 3 361.442 -0.280 20 0 FBADHN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000565988886 485200800 /nfs/dbraw/zinc/20/08/00/485200800.db2.gz KJJXCQVENRTPAV-ULQDDVLXSA-N 0 3 361.442 -0.280 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)NCC(=O)N2CCNCC2)cc1 ZINC000565999203 485200657 /nfs/dbraw/zinc/20/06/57/485200657.db2.gz UNVLPEBVJZAJHQ-UHFFFAOYSA-N 0 3 363.462 -0.142 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000566002537 485200849 /nfs/dbraw/zinc/20/08/49/485200849.db2.gz QHZKIBQWMZXJDC-IIDMSEBBSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000566002538 485200742 /nfs/dbraw/zinc/20/07/42/485200742.db2.gz QHZKIBQWMZXJDC-RKVPGOIHSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)NCCOCCN(C)C)C[C@H](C)O2 ZINC000566002539 485201187 /nfs/dbraw/zinc/20/11/87/485201187.db2.gz QHZKIBQWMZXJDC-RVKKMQEKSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)NCCOCCN(C)C)C[C@H](C)O2 ZINC000566002540 485200449 /nfs/dbraw/zinc/20/04/49/485200449.db2.gz QHZKIBQWMZXJDC-VKJFTORMSA-N 0 3 371.478 -0.134 20 0 FBADHN O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)N1CCCNCC1 ZINC000566009641 485200892 /nfs/dbraw/zinc/20/08/92/485200892.db2.gz DMKDKEZKKMHIQG-GFCCVEGCSA-N 0 3 367.427 -0.841 20 0 FBADHN O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)N1CCCNCC1 ZINC000566009642 485200686 /nfs/dbraw/zinc/20/06/86/485200686.db2.gz DMKDKEZKKMHIQG-LBPRGKRZSA-N 0 3 367.427 -0.841 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2cncc(O)c2)CC1=O ZINC000566019334 485202090 /nfs/dbraw/zinc/20/20/90/485202090.db2.gz FHOQEJXOQLNBJV-AWEZNQCLSA-N 0 3 350.419 -0.375 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2cncc(O)c2)CC1=O ZINC000566019335 485202270 /nfs/dbraw/zinc/20/22/70/485202270.db2.gz FHOQEJXOQLNBJV-CQSZACIVSA-N 0 3 350.419 -0.375 20 0 FBADHN N[C@H]1C[C@@H]2CN(c3ncc(I)cn3)CCN2C1=O ZINC000566020427 485202205 /nfs/dbraw/zinc/20/22/05/485202205.db2.gz PNLFYXHPLUEQRS-BDAKNGLRSA-N 0 3 359.171 -0.171 20 0 FBADHN N[C@@H]1C[C@H]2CN(c3ncc(I)cn3)CCN2C1=O ZINC000566020428 485202189 /nfs/dbraw/zinc/20/21/89/485202189.db2.gz PNLFYXHPLUEQRS-DTWKUNHWSA-N 0 3 359.171 -0.171 20 0 FBADHN N[C@H]1C[C@H]2CN(c3ncc(I)cn3)CCN2C1=O ZINC000566020429 485201773 /nfs/dbraw/zinc/20/17/73/485201773.db2.gz PNLFYXHPLUEQRS-IUCAKERBSA-N 0 3 359.171 -0.171 20 0 FBADHN N[C@@H]1C[C@@H]2CN(c3ncc(I)cn3)CCN2C1=O ZINC000566020430 485202173 /nfs/dbraw/zinc/20/21/73/485202173.db2.gz PNLFYXHPLUEQRS-RKDXNWHRSA-N 0 3 359.171 -0.171 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000566020963 485201571 /nfs/dbraw/zinc/20/15/71/485201571.db2.gz JNIITWDADKQOCS-DZGCQCFKSA-N 0 3 350.394 -0.436 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000566020964 485202292 /nfs/dbraw/zinc/20/22/92/485202292.db2.gz JNIITWDADKQOCS-HIFRSBDPSA-N 0 3 350.394 -0.436 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000566020965 485202285 /nfs/dbraw/zinc/20/22/85/485202285.db2.gz JNIITWDADKQOCS-UKRRQHHQSA-N 0 3 350.394 -0.436 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000566020966 485201957 /nfs/dbraw/zinc/20/19/57/485201957.db2.gz JNIITWDADKQOCS-ZFWWWQNUSA-N 0 3 350.394 -0.436 20 0 FBADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000566021232 485201510 /nfs/dbraw/zinc/20/15/10/485201510.db2.gz RCLKNMHRKNFTNU-KBPBESRZSA-N 0 3 359.386 -0.646 20 0 FBADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000566021233 485202218 /nfs/dbraw/zinc/20/22/18/485202218.db2.gz RCLKNMHRKNFTNU-KGLIPLIRSA-N 0 3 359.386 -0.646 20 0 FBADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000566021234 485201991 /nfs/dbraw/zinc/20/19/91/485201991.db2.gz RCLKNMHRKNFTNU-UONOGXRCSA-N 0 3 359.386 -0.646 20 0 FBADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000566021235 485201635 /nfs/dbraw/zinc/20/16/35/485201635.db2.gz RCLKNMHRKNFTNU-ZIAGYGMSSA-N 0 3 359.386 -0.646 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCO1 ZINC000566021335 485201742 /nfs/dbraw/zinc/20/17/42/485201742.db2.gz UZHXCEDQRVTKLG-ILXRZTDVSA-N 0 3 353.467 -0.559 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCO1 ZINC000566021336 485202063 /nfs/dbraw/zinc/20/20/63/485202063.db2.gz UZHXCEDQRVTKLG-KFWWJZLASA-N 0 3 353.467 -0.559 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCO1 ZINC000566021337 485201863 /nfs/dbraw/zinc/20/18/63/485201863.db2.gz UZHXCEDQRVTKLG-QLFBSQMISA-N 0 3 353.467 -0.559 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCO1 ZINC000566021338 485201499 /nfs/dbraw/zinc/20/14/99/485201499.db2.gz UZHXCEDQRVTKLG-RBSFLKMASA-N 0 3 353.467 -0.559 20 0 FBADHN COc1nnc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000566022196 484463905 /nfs/dbraw/zinc/46/39/05/484463905.db2.gz WZTJDZZCJOWGBY-UHFFFAOYSA-N 0 3 354.436 0.319 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)nn1 ZINC000566024560 484432305 /nfs/dbraw/zinc/43/23/05/484432305.db2.gz CXAFMBWSDJWCTN-UHFFFAOYSA-N 0 3 372.385 0.176 20 0 FBADHN CN1C[C@@H](NC(=O)NCC(=O)NCCN2CCCCCC2)CCC1=O ZINC000566046321 485202072 /nfs/dbraw/zinc/20/20/72/485202072.db2.gz PIKKHPMCXBQXOP-AWEZNQCLSA-N 0 3 353.467 -0.101 20 0 FBADHN CN1C[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)CCC1=O ZINC000566046322 485201782 /nfs/dbraw/zinc/20/17/82/485201782.db2.gz PIKKHPMCXBQXOP-CQSZACIVSA-N 0 3 353.467 -0.101 20 0 FBADHN Cc1cnn([C@H]2CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C2)c1 ZINC000566054832 485202783 /nfs/dbraw/zinc/20/27/83/485202783.db2.gz KPLVBZWBFYHZMI-INIZCTEOSA-N 0 3 364.494 -0.083 20 0 FBADHN Cc1cnn([C@@H]2CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C2)c1 ZINC000566054833 485202869 /nfs/dbraw/zinc/20/28/69/485202869.db2.gz KPLVBZWBFYHZMI-MRXNPFEDSA-N 0 3 364.494 -0.083 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCOCC3(CCOCC3)C2)n1 ZINC000566059855 485203118 /nfs/dbraw/zinc/20/31/18/485203118.db2.gz FBMUHRQCZHBHJF-UHFFFAOYSA-N 0 3 366.466 -0.427 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)[C@@H](CN)C1 ZINC000566062570 485203364 /nfs/dbraw/zinc/20/33/64/485203364.db2.gz HEWYOXLBHOCPRI-INIZCTEOSA-N 0 3 373.457 -0.928 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)[C@H](CN)C1 ZINC000566062571 485203304 /nfs/dbraw/zinc/20/33/04/485203304.db2.gz HEWYOXLBHOCPRI-MRXNPFEDSA-N 0 3 373.457 -0.928 20 0 FBADHN Cc1cc(NC(=O)CCNC[C@H]2CCCCN2S(=O)(=O)N(C)C)no1 ZINC000566064234 484289141 /nfs/dbraw/zinc/28/91/41/484289141.db2.gz HDJOWBJCOZIEEG-CYBMUJFWSA-N 0 3 373.479 0.562 20 0 FBADHN Cc1cc(NC(=O)CCNC[C@@H]2CCCCN2S(=O)(=O)N(C)C)no1 ZINC000566064235 484289827 /nfs/dbraw/zinc/28/98/27/484289827.db2.gz HDJOWBJCOZIEEG-ZDUSSCGKSA-N 0 3 373.479 0.562 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](Nc3ncccn3)C2)n1 ZINC000566065014 485203103 /nfs/dbraw/zinc/20/31/03/485203103.db2.gz DNGVFACFAAIBDJ-GFCCVEGCSA-N 0 3 359.438 -0.579 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H](Nc3ncccn3)C2)n1 ZINC000566065015 485203555 /nfs/dbraw/zinc/20/35/55/485203555.db2.gz DNGVFACFAAIBDJ-LBPRGKRZSA-N 0 3 359.438 -0.579 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000566069026 485203479 /nfs/dbraw/zinc/20/34/79/485203479.db2.gz QYYIJIUEMZMICX-HNNXBMFYSA-N 0 3 360.414 -0.954 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000566069027 485203377 /nfs/dbraw/zinc/20/33/77/485203377.db2.gz QYYIJIUEMZMICX-OAHLLOKOSA-N 0 3 360.414 -0.954 20 0 FBADHN Nc1nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)nc(N2CCOCC2)n1 ZINC000566074496 484556308 /nfs/dbraw/zinc/55/63/08/484556308.db2.gz WHVQHPNNORKRIO-CYBMUJFWSA-N 0 3 361.450 -0.009 20 0 FBADHN Nc1nc(C(=O)N2CC[C@H](N3CCCCC3)C2)nc(N2CCOCC2)n1 ZINC000566074502 484556058 /nfs/dbraw/zinc/55/60/58/484556058.db2.gz WHVQHPNNORKRIO-ZDUSSCGKSA-N 0 3 361.450 -0.009 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](CN)C1 ZINC000566091752 485204232 /nfs/dbraw/zinc/20/42/32/485204232.db2.gz AIYRCGUSQMUAST-INIZCTEOSA-N 0 3 363.437 -0.424 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](CN)C1 ZINC000566091753 485203992 /nfs/dbraw/zinc/20/39/92/485203992.db2.gz AIYRCGUSQMUAST-MRXNPFEDSA-N 0 3 363.437 -0.424 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)[C@H](CN)C1 ZINC000566091854 485204534 /nfs/dbraw/zinc/20/45/34/485204534.db2.gz JVVFTVVEHLMGLY-GDBMZVCRSA-N 0 3 362.430 -0.607 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)[C@@H](CN)C1 ZINC000566091857 485204244 /nfs/dbraw/zinc/20/42/44/485204244.db2.gz JVVFTVVEHLMGLY-GOEBONIOSA-N 0 3 362.430 -0.607 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)[C@@H](CN)C1 ZINC000566091859 485204328 /nfs/dbraw/zinc/20/43/28/485204328.db2.gz JVVFTVVEHLMGLY-HOCLYGCPSA-N 0 3 362.430 -0.607 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)[C@H](CN)C1 ZINC000566091861 485204545 /nfs/dbraw/zinc/20/45/45/485204545.db2.gz JVVFTVVEHLMGLY-ZBFHGGJFSA-N 0 3 362.430 -0.607 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(Cc3ccsc3)CC2)[C@@H](CN)C1 ZINC000566091897 485204518 /nfs/dbraw/zinc/20/45/18/485204518.db2.gz OYHOGLSPZNKSMC-HNNXBMFYSA-N 0 3 365.503 -0.506 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(Cc3ccsc3)CC2)[C@H](CN)C1 ZINC000566091900 485204566 /nfs/dbraw/zinc/20/45/66/485204566.db2.gz OYHOGLSPZNKSMC-OAHLLOKOSA-N 0 3 365.503 -0.506 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000566095596 485204445 /nfs/dbraw/zinc/20/44/45/485204445.db2.gz PVNJNIYITXXJCB-NWDGAFQWSA-N 0 3 369.472 -0.043 20 0 FBADHN O=C(CCOC1CNC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000566098382 485204355 /nfs/dbraw/zinc/20/43/55/485204355.db2.gz PWZUTCGLEBQPJK-UHFFFAOYSA-N 0 3 358.420 -0.973 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](OC(F)F)C3)C[C@H]2N)cn1 ZINC000566104909 485204406 /nfs/dbraw/zinc/20/44/06/485204406.db2.gz CPEYARUIUYKJEQ-SDDRHHMPSA-N 0 3 357.361 -0.487 20 0 FBADHN O=C(CCNC[C@@H](O)COc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000566106736 485204527 /nfs/dbraw/zinc/20/45/27/485204527.db2.gz YNBHUCAQEWQQBW-CYBMUJFWSA-N 0 3 352.387 -0.007 20 0 FBADHN O=C(CCNC[C@H](O)COc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000566106737 485204571 /nfs/dbraw/zinc/20/45/71/485204571.db2.gz YNBHUCAQEWQQBW-ZDUSSCGKSA-N 0 3 352.387 -0.007 20 0 FBADHN COC[C@H](O)CNCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000566107744 485204587 /nfs/dbraw/zinc/20/45/87/485204587.db2.gz OSYSWNOSRZSOKK-MRXNPFEDSA-N 0 3 358.460 -0.055 20 0 FBADHN CN1CCN(C[C@@H](O)CNCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000566108037 485204396 /nfs/dbraw/zinc/20/43/96/485204396.db2.gz UBRNHOCWYMHGTO-HNNXBMFYSA-N 0 3 371.503 -0.333 20 0 FBADHN CN1CCN(C[C@H](O)CNCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000566108040 485204579 /nfs/dbraw/zinc/20/45/79/485204579.db2.gz UBRNHOCWYMHGTO-OAHLLOKOSA-N 0 3 371.503 -0.333 20 0 FBADHN COC(=O)c1ccc(OC[C@@H](O)CNCC(=O)N2CCOCC2)cc1 ZINC000566112044 485204662 /nfs/dbraw/zinc/20/46/62/485204662.db2.gz QOELRKCHLJQIGG-AWEZNQCLSA-N 0 3 352.387 -0.339 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CNCC(=O)N2CCOCC2)cc1 ZINC000566112049 485204084 /nfs/dbraw/zinc/20/40/84/485204084.db2.gz QOELRKCHLJQIGG-CQSZACIVSA-N 0 3 352.387 -0.339 20 0 FBADHN CN1CCN(C(=O)CCNC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000566117328 485204180 /nfs/dbraw/zinc/20/41/80/485204180.db2.gz QRIVVGURYVBKII-AWEZNQCLSA-N 0 3 365.430 -0.091 20 0 FBADHN CN1CCN(C(=O)CCNC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000566117333 485204485 /nfs/dbraw/zinc/20/44/85/485204485.db2.gz QRIVVGURYVBKII-CQSZACIVSA-N 0 3 365.430 -0.091 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000566124126 485204208 /nfs/dbraw/zinc/20/42/08/485204208.db2.gz UCOXKRJYNBLQQC-CABCVRRESA-N 0 3 351.451 -0.319 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000566124131 485204143 /nfs/dbraw/zinc/20/41/43/485204143.db2.gz UCOXKRJYNBLQQC-GJZGRUSLSA-N 0 3 351.451 -0.319 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000566124132 485204540 /nfs/dbraw/zinc/20/45/40/485204540.db2.gz UCOXKRJYNBLQQC-HUUCEWRRSA-N 0 3 351.451 -0.319 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000566124133 485204657 /nfs/dbraw/zinc/20/46/57/485204657.db2.gz UCOXKRJYNBLQQC-LSDHHAIUSA-N 0 3 351.451 -0.319 20 0 FBADHN COc1cccc(OC)c1OC[C@H](O)CNCCS(=O)(=O)N(C)C ZINC000566129607 485204500 /nfs/dbraw/zinc/20/45/00/485204500.db2.gz KIWPDEOONIIXDE-GFCCVEGCSA-N 0 3 362.448 -0.076 20 0 FBADHN COc1cccc(OC)c1OC[C@@H](O)CNCCS(=O)(=O)N(C)C ZINC000566129609 485204198 /nfs/dbraw/zinc/20/41/98/485204198.db2.gz KIWPDEOONIIXDE-LBPRGKRZSA-N 0 3 362.448 -0.076 20 0 FBADHN O=C1CCc2cc(OC[C@@H](O)CNCCN3CCNC(=O)C3)ccc2N1 ZINC000566131994 485204555 /nfs/dbraw/zinc/20/45/55/485204555.db2.gz INTQNUMPYMKEAN-AWEZNQCLSA-N 0 3 362.430 -0.668 20 0 FBADHN O=C1CCc2cc(OC[C@H](O)CNCCN3CCNC(=O)C3)ccc2N1 ZINC000566131995 485204124 /nfs/dbraw/zinc/20/41/24/485204124.db2.gz INTQNUMPYMKEAN-CQSZACIVSA-N 0 3 362.430 -0.668 20 0 FBADHN CNS(=O)(=O)CCNC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000566132094 485204603 /nfs/dbraw/zinc/20/46/03/485204603.db2.gz KLFSBXUCEXYBPJ-GFCCVEGCSA-N 0 3 356.404 -0.997 20 0 FBADHN CNS(=O)(=O)CCNC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000566132095 485204368 /nfs/dbraw/zinc/20/43/68/485204368.db2.gz KLFSBXUCEXYBPJ-LBPRGKRZSA-N 0 3 356.404 -0.997 20 0 FBADHN CCOC(=O)c1ccc(N2CC(NC[C@H](O)CN3CCOCC3)C2)nc1 ZINC000566132144 485204109 /nfs/dbraw/zinc/20/41/09/485204109.db2.gz SYXZHYAKOUZZPH-INIZCTEOSA-N 0 3 364.446 -0.270 20 0 FBADHN CCOC(=O)c1ccc(N2CC(NC[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000566132148 485204095 /nfs/dbraw/zinc/20/40/95/485204095.db2.gz SYXZHYAKOUZZPH-MRXNPFEDSA-N 0 3 364.446 -0.270 20 0 FBADHN COc1cccc(OC)c1OC[C@H](O)CNCCN1CCNC(=O)C1 ZINC000566132172 485205716 /nfs/dbraw/zinc/20/57/16/485205716.db2.gz MFBKFQUHPONXDH-CYBMUJFWSA-N 0 3 353.419 -0.535 20 0 FBADHN COc1cccc(OC)c1OC[C@@H](O)CNCCN1CCNC(=O)C1 ZINC000566132176 485205042 /nfs/dbraw/zinc/20/50/42/485205042.db2.gz MFBKFQUHPONXDH-ZDUSSCGKSA-N 0 3 353.419 -0.535 20 0 FBADHN C[C@@]1(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000566165922 485205409 /nfs/dbraw/zinc/20/54/09/485205409.db2.gz AUYYEHBEUGTDQU-PXAZEXFGSA-N 0 3 359.386 -0.452 20 0 FBADHN C[C@@]1(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000566165923 485205724 /nfs/dbraw/zinc/20/57/24/485205724.db2.gz AUYYEHBEUGTDQU-SJCJKPOMSA-N 0 3 359.386 -0.452 20 0 FBADHN C[C@]1(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000566165924 485205029 /nfs/dbraw/zinc/20/50/29/485205029.db2.gz AUYYEHBEUGTDQU-SJKOYZFVSA-N 0 3 359.386 -0.452 20 0 FBADHN C[C@]1(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000566165925 485205651 /nfs/dbraw/zinc/20/56/51/485205651.db2.gz AUYYEHBEUGTDQU-YVEFUNNKSA-N 0 3 359.386 -0.452 20 0 FBADHN C[C@@H](NC1CC1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566166119 485205313 /nfs/dbraw/zinc/20/53/13/485205313.db2.gz OLWMMIYBPUBCNF-HZSPNIEDSA-N 0 3 374.507 -0.375 20 0 FBADHN C[C@H](NC1CC1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000566166120 485205288 /nfs/dbraw/zinc/20/52/88/485205288.db2.gz OLWMMIYBPUBCNF-MCIONIFRSA-N 0 3 374.507 -0.375 20 0 FBADHN C[C@@H](NC1CC1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000566166121 485205607 /nfs/dbraw/zinc/20/56/07/485205607.db2.gz OLWMMIYBPUBCNF-MGPQQGTHSA-N 0 3 374.507 -0.375 20 0 FBADHN C[C@H](NC1CC1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566166122 485205546 /nfs/dbraw/zinc/20/55/46/485205546.db2.gz OLWMMIYBPUBCNF-MJBXVCDLSA-N 0 3 374.507 -0.375 20 0 FBADHN O=C(CCOC1CNC1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000566170563 485205477 /nfs/dbraw/zinc/20/54/77/485205477.db2.gz NSHIPKZYEPFLEN-UHFFFAOYSA-N 0 3 360.458 -0.175 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000566171839 485206669 /nfs/dbraw/zinc/20/66/69/485206669.db2.gz UXXVRRFWCAZWAN-LLVKDONJSA-N 0 3 354.407 -0.362 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000566171841 485206897 /nfs/dbraw/zinc/20/68/97/485206897.db2.gz UXXVRRFWCAZWAN-NSHDSACASA-N 0 3 354.407 -0.362 20 0 FBADHN CO[C@H](CN)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000566172012 485206539 /nfs/dbraw/zinc/20/65/39/485206539.db2.gz TUZQLBFBIUDQSF-LLVKDONJSA-N 0 3 363.461 -0.641 20 0 FBADHN CO[C@@H](CN)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000566172013 485206315 /nfs/dbraw/zinc/20/63/15/485206315.db2.gz TUZQLBFBIUDQSF-NSHDSACASA-N 0 3 363.461 -0.641 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000566179988 485206658 /nfs/dbraw/zinc/20/66/58/485206658.db2.gz ZDXSHKBFZRYPBI-GHMZBOCLSA-N 0 3 354.373 -0.439 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000566179992 485206304 /nfs/dbraw/zinc/20/63/04/485206304.db2.gz ZDXSHKBFZRYPBI-MNOVXSKESA-N 0 3 354.373 -0.439 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000566179993 485206758 /nfs/dbraw/zinc/20/67/58/485206758.db2.gz ZDXSHKBFZRYPBI-QWRGUYRKSA-N 0 3 354.373 -0.439 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000566179994 485206914 /nfs/dbraw/zinc/20/69/14/485206914.db2.gz ZDXSHKBFZRYPBI-WDEREUQCSA-N 0 3 354.373 -0.439 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000566184389 485206946 /nfs/dbraw/zinc/20/69/46/485206946.db2.gz BLEORKHDQNPRFW-GFCCVEGCSA-N 0 3 350.423 -0.528 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000566184391 485206742 /nfs/dbraw/zinc/20/67/42/485206742.db2.gz BLEORKHDQNPRFW-LBPRGKRZSA-N 0 3 350.423 -0.528 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000566188744 485207836 /nfs/dbraw/zinc/20/78/36/485207836.db2.gz LLEQGNJRFXRAGJ-CYBMUJFWSA-N 0 3 353.448 -0.891 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000566188745 485207447 /nfs/dbraw/zinc/20/74/47/485207447.db2.gz LLEQGNJRFXRAGJ-ZDUSSCGKSA-N 0 3 353.448 -0.891 20 0 FBADHN O=C(COC1C[NH2+]C1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000566194668 485207416 /nfs/dbraw/zinc/20/74/16/485207416.db2.gz FCGUCINXJWQMHB-UHFFFAOYSA-N 0 3 365.814 -0.138 20 0 FBADHN CN[C@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)c1cnn(C)c1 ZINC000566195328 485207475 /nfs/dbraw/zinc/20/74/75/485207475.db2.gz LEWZDINVNBINAX-HIFRSBDPSA-N 0 3 350.467 -0.213 20 0 FBADHN CN[C@@H](C(=O)N[C@H](C)C(=O)NCCN1CCCCC1)c1cnn(C)c1 ZINC000566195329 485207687 /nfs/dbraw/zinc/20/76/87/485207687.db2.gz LEWZDINVNBINAX-UKRRQHHQSA-N 0 3 350.467 -0.213 20 0 FBADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCN(C)C[C@@H]2CN)no1 ZINC000566200383 484337164 /nfs/dbraw/zinc/33/71/64/484337164.db2.gz SGAYOKRMMKIMDG-NEPJUHHUSA-N 0 3 355.464 0.145 20 0 FBADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(C)C[C@H]2CN)no1 ZINC000566200387 484345086 /nfs/dbraw/zinc/34/50/86/484345086.db2.gz SGAYOKRMMKIMDG-NWDGAFQWSA-N 0 3 355.464 0.145 20 0 FBADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(C)C[C@@H]2CN)no1 ZINC000566200389 484345747 /nfs/dbraw/zinc/34/57/47/484345747.db2.gz SGAYOKRMMKIMDG-RYUDHWBXSA-N 0 3 355.464 0.145 20 0 FBADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCN(C)C[C@H]2CN)no1 ZINC000566200390 484336778 /nfs/dbraw/zinc/33/67/78/484336778.db2.gz SGAYOKRMMKIMDG-VXGBXAGGSA-N 0 3 355.464 0.145 20 0 FBADHN CCCCS(=O)(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000566200507 483793876 /nfs/dbraw/zinc/79/38/76/483793876.db2.gz YEOGIUCPONNJTQ-HNNXBMFYSA-N 0 3 360.524 -0.070 20 0 FBADHN CCCCS(=O)(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000566200509 483793920 /nfs/dbraw/zinc/79/39/20/483793920.db2.gz YEOGIUCPONNJTQ-OAHLLOKOSA-N 0 3 360.524 -0.070 20 0 FBADHN CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@H](CN)C1 ZINC000566200570 485207805 /nfs/dbraw/zinc/20/78/05/485207805.db2.gz UDNFNJLDYKMCTB-DZGCQCFKSA-N 0 3 374.441 -0.088 20 0 FBADHN CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H](CN)C1 ZINC000566200573 485207660 /nfs/dbraw/zinc/20/76/60/485207660.db2.gz UDNFNJLDYKMCTB-HIFRSBDPSA-N 0 3 374.441 -0.088 20 0 FBADHN CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@H](CN)C1 ZINC000566200574 485207527 /nfs/dbraw/zinc/20/75/27/485207527.db2.gz UDNFNJLDYKMCTB-UKRRQHHQSA-N 0 3 374.441 -0.088 20 0 FBADHN CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H](CN)C1 ZINC000566200576 485207349 /nfs/dbraw/zinc/20/73/49/485207349.db2.gz UDNFNJLDYKMCTB-ZFWWWQNUSA-N 0 3 374.441 -0.088 20 0 FBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000566206697 485207718 /nfs/dbraw/zinc/20/77/18/485207718.db2.gz HKHXMMAUHFSSOT-BFIPOCKSSA-N 0 3 364.490 -0.058 20 0 FBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000566206698 485207736 /nfs/dbraw/zinc/20/77/36/485207736.db2.gz HKHXMMAUHFSSOT-DZASIIFFSA-N 0 3 364.490 -0.058 20 0 FBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000566206699 485208045 /nfs/dbraw/zinc/20/80/45/485208045.db2.gz HKHXMMAUHFSSOT-QHHYFVSCSA-N 0 3 364.490 -0.058 20 0 FBADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000566206700 485208010 /nfs/dbraw/zinc/20/80/10/485208010.db2.gz HKHXMMAUHFSSOT-QRCPMIHRSA-N 0 3 364.490 -0.058 20 0 FBADHN [NH3+]C1(CNC(=O)CN2CC(=O)[N-]C2=O)CCN(Cc2ccccc2)CC1 ZINC000566207499 485208155 /nfs/dbraw/zinc/20/81/55/485208155.db2.gz GDLGKMJOEDOTNL-UHFFFAOYSA-N 0 3 359.430 -0.352 20 0 FBADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@H]1CNCCO1 ZINC000566210962 485208601 /nfs/dbraw/zinc/20/86/01/485208601.db2.gz AODHOSLXHDCKQR-GFCCVEGCSA-N 0 3 360.418 -0.518 20 0 FBADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@@H]1CNCCO1 ZINC000566210964 485208659 /nfs/dbraw/zinc/20/86/59/485208659.db2.gz AODHOSLXHDCKQR-LBPRGKRZSA-N 0 3 360.418 -0.518 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CNCCC2(F)F)cn1C ZINC000566211059 485209080 /nfs/dbraw/zinc/20/90/80/485209080.db2.gz CLPZICANTLQFOV-JTQLQIEISA-N 0 3 365.406 -0.490 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CNCCC2(F)F)cn1C ZINC000566211069 485208575 /nfs/dbraw/zinc/20/85/75/485208575.db2.gz CLPZICANTLQFOV-SNVBAGLBSA-N 0 3 365.406 -0.490 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)nn1 ZINC000566211242 485208807 /nfs/dbraw/zinc/20/88/07/485208807.db2.gz HGLGYRSYMRWLAS-CYBMUJFWSA-N 0 3 356.390 -0.590 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)nn1 ZINC000566211245 485209196 /nfs/dbraw/zinc/20/91/96/485209196.db2.gz HGLGYRSYMRWLAS-ZDUSSCGKSA-N 0 3 356.390 -0.590 20 0 FBADHN COCC(=O)N[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(C)C ZINC000566213559 485208917 /nfs/dbraw/zinc/20/89/17/485208917.db2.gz VYLADJAPPWBPKC-HIFRSBDPSA-N 0 3 352.439 -0.313 20 0 FBADHN COCC(=O)N[C@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(C)C ZINC000566213560 485208619 /nfs/dbraw/zinc/20/86/19/485208619.db2.gz VYLADJAPPWBPKC-ZFWWWQNUSA-N 0 3 352.439 -0.313 20 0 FBADHN CC(C)[C@H](N)C(=O)NCc1nc(-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000566214799 485208780 /nfs/dbraw/zinc/20/87/80/485208780.db2.gz AFYTZARPCPQTCF-LBPRGKRZSA-N 0 3 353.404 -0.017 20 0 FBADHN CN1CCNC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000566223959 483841361 /nfs/dbraw/zinc/84/13/61/483841361.db2.gz BHFCBHMFYDQRQF-GFCCVEGCSA-N 0 3 359.473 -0.802 20 0 FBADHN CN1CCNC[C@H]1CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000566223960 483841664 /nfs/dbraw/zinc/84/16/64/483841664.db2.gz BHFCBHMFYDQRQF-LBPRGKRZSA-N 0 3 359.473 -0.802 20 0 FBADHN CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000566223973 485208765 /nfs/dbraw/zinc/20/87/65/485208765.db2.gz CFWOSTOTUDWQFL-DOMZBBRYSA-N 0 3 355.464 -0.172 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN[C@H]1CCCN(CCO)C1=O ZINC000566230830 485209000 /nfs/dbraw/zinc/20/90/00/485209000.db2.gz DXQIMLGHKZYNKZ-DOMZBBRYSA-N 0 3 361.398 -0.784 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN[C@@H]1CCCN(CCO)C1=O ZINC000566230831 485208613 /nfs/dbraw/zinc/20/86/13/485208613.db2.gz DXQIMLGHKZYNKZ-IUODEOHRSA-N 0 3 361.398 -0.784 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN[C@@H]1CCCN(CCO)C1=O ZINC000566230832 485208950 /nfs/dbraw/zinc/20/89/50/485208950.db2.gz DXQIMLGHKZYNKZ-SWLSCSKDSA-N 0 3 361.398 -0.784 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN[C@H]1CCCN(CCO)C1=O ZINC000566230833 485208516 /nfs/dbraw/zinc/20/85/16/485208516.db2.gz DXQIMLGHKZYNKZ-WFASDCNBSA-N 0 3 361.398 -0.784 20 0 FBADHN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000566233735 485208561 /nfs/dbraw/zinc/20/85/61/485208561.db2.gz MIHWNRUMMYVLBV-AEFFLSMTSA-N 0 3 374.485 -0.014 20 0 FBADHN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000566233736 485208832 /nfs/dbraw/zinc/20/88/32/485208832.db2.gz MIHWNRUMMYVLBV-FUHWJXTLSA-N 0 3 374.485 -0.014 20 0 FBADHN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000566233738 485209062 /nfs/dbraw/zinc/20/90/62/485209062.db2.gz MIHWNRUMMYVLBV-SJLPKXTDSA-N 0 3 374.485 -0.014 20 0 FBADHN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000566233740 485208978 /nfs/dbraw/zinc/20/89/78/485208978.db2.gz MIHWNRUMMYVLBV-WMZOPIPTSA-N 0 3 374.485 -0.014 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCc1nnc2n1CCC2 ZINC000566236934 485209948 /nfs/dbraw/zinc/20/99/48/485209948.db2.gz FCWPOUQMADLKQO-AWEZNQCLSA-N 0 3 354.414 -0.075 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCc1nnc2n1CCC2 ZINC000566236935 485209856 /nfs/dbraw/zinc/20/98/56/485209856.db2.gz FCWPOUQMADLKQO-CQSZACIVSA-N 0 3 354.414 -0.075 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCc1nnc2n1CCC2 ZINC000566237336 485209674 /nfs/dbraw/zinc/20/96/74/485209674.db2.gz QPEPQSXZVFHHPO-HNNXBMFYSA-N 0 3 368.441 -0.032 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCc1nnc2n1CCC2 ZINC000566237337 485209912 /nfs/dbraw/zinc/20/99/12/485209912.db2.gz QPEPQSXZVFHHPO-OAHLLOKOSA-N 0 3 368.441 -0.032 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000566247400 485209930 /nfs/dbraw/zinc/20/99/30/485209930.db2.gz DSNJORPIGIUVEK-HNNXBMFYSA-N 0 3 353.444 -0.268 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000566248581 485211032 /nfs/dbraw/zinc/21/10/32/485211032.db2.gz DVYDQHQNFUQIBS-AAEUAGOBSA-N 0 3 352.439 -0.059 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000566248584 485210767 /nfs/dbraw/zinc/21/07/67/485210767.db2.gz DVYDQHQNFUQIBS-YPMHNXCESA-N 0 3 352.439 -0.059 20 0 FBADHN Cc1cc(N2CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C2=O)n(C)n1 ZINC000566250360 485211080 /nfs/dbraw/zinc/21/10/80/485211080.db2.gz UONWDPJOADWHIA-FZMZJTMJSA-N 0 3 350.423 -0.950 20 0 FBADHN Cc1cc(N2CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C2=O)n(C)n1 ZINC000566250361 485211185 /nfs/dbraw/zinc/21/11/85/485211185.db2.gz UONWDPJOADWHIA-RISCZKNCSA-N 0 3 350.423 -0.950 20 0 FBADHN CN(C(=O)c1cnccc1N)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000566250485 485210919 /nfs/dbraw/zinc/21/09/19/485210919.db2.gz ANIHHZDFGLMSID-UHFFFAOYSA-N 0 3 374.489 -0.195 20 0 FBADHN CCN(CC)CCN(C(=O)C[C@@H]1COCCN1)[C@H]1CCS(=O)(=O)C1 ZINC000566251114 485210583 /nfs/dbraw/zinc/21/05/83/485210583.db2.gz MLOVFISBQRQUSY-CABCVRRESA-N 0 3 361.508 -0.278 20 0 FBADHN CCN(CC)CCN(C(=O)C[C@H]1COCCN1)[C@H]1CCS(=O)(=O)C1 ZINC000566251115 485210841 /nfs/dbraw/zinc/21/08/41/485210841.db2.gz MLOVFISBQRQUSY-GJZGRUSLSA-N 0 3 361.508 -0.278 20 0 FBADHN CCN(CC)CCN(C(=O)C[C@@H]1COCCN1)[C@@H]1CCS(=O)(=O)C1 ZINC000566251165 485210541 /nfs/dbraw/zinc/21/05/41/485210541.db2.gz MLOVFISBQRQUSY-HUUCEWRRSA-N 0 3 361.508 -0.278 20 0 FBADHN CCN(CC)CCN(C(=O)C[C@H]1COCCN1)[C@@H]1CCS(=O)(=O)C1 ZINC000566251167 485211062 /nfs/dbraw/zinc/21/10/62/485211062.db2.gz MLOVFISBQRQUSY-LSDHHAIUSA-N 0 3 361.508 -0.278 20 0 FBADHN CN(C(=O)[C@@H]1CSCN1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000566252033 485210830 /nfs/dbraw/zinc/21/08/30/485210830.db2.gz YUDVJXHREQTHOU-HNNXBMFYSA-N 0 3 369.535 -0.654 20 0 FBADHN CN(C(=O)[C@H]1CSCN1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000566252034 485210636 /nfs/dbraw/zinc/21/06/36/485210636.db2.gz YUDVJXHREQTHOU-OAHLLOKOSA-N 0 3 369.535 -0.654 20 0 FBADHN CO[C@H](CN)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000566258050 485210776 /nfs/dbraw/zinc/21/07/76/485210776.db2.gz SBSBUZACBRUOCR-GDBMZVCRSA-N 0 3 367.421 -0.067 20 0 FBADHN CO[C@H](CN)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000566258051 485210754 /nfs/dbraw/zinc/21/07/54/485210754.db2.gz SBSBUZACBRUOCR-GOEBONIOSA-N 0 3 367.421 -0.067 20 0 FBADHN CO[C@@H](CN)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000566258052 485210597 /nfs/dbraw/zinc/21/05/97/485210597.db2.gz SBSBUZACBRUOCR-HOCLYGCPSA-N 0 3 367.421 -0.067 20 0 FBADHN CO[C@@H](CN)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000566258053 485211025 /nfs/dbraw/zinc/21/10/25/485211025.db2.gz SBSBUZACBRUOCR-ZBFHGGJFSA-N 0 3 367.421 -0.067 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000566286866 485211954 /nfs/dbraw/zinc/21/19/54/485211954.db2.gz GXMXNBQCXLNVJL-KRWDZBQOSA-N 0 3 362.474 -0.147 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000566286867 485211966 /nfs/dbraw/zinc/21/19/66/485211966.db2.gz GXMXNBQCXLNVJL-QGZVFWFLSA-N 0 3 362.474 -0.147 20 0 FBADHN CCN1CCN(C(=O)CNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000566286996 485211821 /nfs/dbraw/zinc/21/18/21/485211821.db2.gz VZYCVEGMKGNDLD-UHFFFAOYSA-N 0 3 363.462 -0.084 20 0 FBADHN N[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1c1cccc(F)c1 ZINC000566295856 485211943 /nfs/dbraw/zinc/21/19/43/485211943.db2.gz GXUWDACSHFIDSH-LSDHHAIUSA-N 0 3 355.435 -0.191 20 0 FBADHN CCCCn1c(N)c(N(CC)C(=O)CN2CCNCC2)c(=O)[nH]c1=O ZINC000566298377 485211745 /nfs/dbraw/zinc/21/17/45/485211745.db2.gz VNFJNGAMZOWCJD-UHFFFAOYSA-N 0 3 352.439 -0.411 20 0 FBADHN CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[C@@H](CN)C1 ZINC000566300589 485212081 /nfs/dbraw/zinc/21/20/81/485212081.db2.gz OCENQXAVONKPGN-LBPRGKRZSA-N 0 3 355.464 -0.486 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000566367403 485215081 /nfs/dbraw/zinc/21/50/81/485215081.db2.gz LPGJLOAIUOMJAF-AWEZNQCLSA-N 0 3 366.443 -0.579 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000566367411 485215604 /nfs/dbraw/zinc/21/56/04/485215604.db2.gz LPGJLOAIUOMJAF-CQSZACIVSA-N 0 3 366.443 -0.579 20 0 FBADHN CN1CCC(NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000566391670 485215067 /nfs/dbraw/zinc/21/50/67/485215067.db2.gz MLMFGPJRVIFALK-UHFFFAOYSA-N 0 3 374.489 -0.340 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000566401043 485217079 /nfs/dbraw/zinc/21/70/79/485217079.db2.gz JCVHIHAEUXJRHQ-UHFFFAOYSA-N 0 3 355.483 -0.757 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1=O ZINC000566411295 485217207 /nfs/dbraw/zinc/21/72/07/485217207.db2.gz CZKYVYYMESSYJE-INIZCTEOSA-N 0 3 374.441 -0.830 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1=O ZINC000566411299 485217057 /nfs/dbraw/zinc/21/70/57/485217057.db2.gz CZKYVYYMESSYJE-MRXNPFEDSA-N 0 3 374.441 -0.830 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C)C(=O)C2)Cc2ccccc2C1 ZINC000566411307 485216567 /nfs/dbraw/zinc/21/65/67/485216567.db2.gz BNPNSMXQBCHVFM-UHFFFAOYSA-N 0 3 358.442 -0.498 20 0 FBADHN O=C(NCCN1CCCC1=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000566411554 485216760 /nfs/dbraw/zinc/21/67/60/485216760.db2.gz HLENOFYMIQSATL-UHFFFAOYSA-N 0 3 366.462 -0.514 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCN2CCCC2=O)CCCO1 ZINC000566412759 485216526 /nfs/dbraw/zinc/21/65/26/485216526.db2.gz KQIBFRLTBSZVLZ-AWEZNQCLSA-N 0 3 354.451 -0.658 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCN2CCCC2=O)CCCO1 ZINC000566412761 485217301 /nfs/dbraw/zinc/21/73/01/485217301.db2.gz KQIBFRLTBSZVLZ-CQSZACIVSA-N 0 3 354.451 -0.658 20 0 FBADHN CCN(CC(=O)NCc1cccs1)C(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566423328 485217528 /nfs/dbraw/zinc/21/75/28/485217528.db2.gz BFHAOTPLQLORSH-GJZGRUSLSA-N 0 3 368.503 -0.181 20 0 FBADHN C[C@H]1COCCN1C1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000566425687 485218282 /nfs/dbraw/zinc/21/82/82/485218282.db2.gz FOPVHEVEOYXLAR-AWEZNQCLSA-N 0 3 371.507 -0.117 20 0 FBADHN C[C@@H]1COCCN1C1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000566425688 485218037 /nfs/dbraw/zinc/21/80/37/485218037.db2.gz FOPVHEVEOYXLAR-CQSZACIVSA-N 0 3 371.507 -0.117 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000566441034 485218296 /nfs/dbraw/zinc/21/82/96/485218296.db2.gz ZETIQYBBDYBZRW-INIZCTEOSA-N 0 3 362.478 -0.177 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000566441035 485218089 /nfs/dbraw/zinc/21/80/89/485218089.db2.gz ZETIQYBBDYBZRW-MRXNPFEDSA-N 0 3 362.478 -0.177 20 0 FBADHN C[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)N1CCOCC1 ZINC000566444814 485218171 /nfs/dbraw/zinc/21/81/71/485218171.db2.gz LAULUTFDZYNPMB-ZDUSSCGKSA-N 0 3 352.439 -0.780 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2cc3c(nc4ccccn4c3=O)n2C)C[C@@H]1O ZINC000566451295 485217985 /nfs/dbraw/zinc/21/79/85/485217985.db2.gz BPGWTOQEOIRGBS-KBPBESRZSA-N 0 3 355.398 -0.067 20 0 FBADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566453034 485218100 /nfs/dbraw/zinc/21/81/00/485218100.db2.gz NFNFVGYGCQAOEP-ILXRZTDVSA-N 0 3 359.434 -0.592 20 0 FBADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566453037 485217931 /nfs/dbraw/zinc/21/79/31/485217931.db2.gz NFNFVGYGCQAOEP-KKUMJFAQSA-N 0 3 359.434 -0.592 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)n1 ZINC000566453789 485217620 /nfs/dbraw/zinc/21/76/20/485217620.db2.gz LLZZLYXETHBRLW-INIZCTEOSA-N 0 3 362.478 -0.130 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)n1 ZINC000566453790 485217639 /nfs/dbraw/zinc/21/76/39/485217639.db2.gz LLZZLYXETHBRLW-MRXNPFEDSA-N 0 3 362.478 -0.130 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)NC[C@]1(O)CN2CCC1CC2 ZINC000566453994 485217901 /nfs/dbraw/zinc/21/79/01/485217901.db2.gz OYTZKFRNTDTDGV-INIZCTEOSA-N 0 3 371.434 -0.323 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)NC[C@@]1(O)CN2CCC1CC2 ZINC000566453995 485218049 /nfs/dbraw/zinc/21/80/49/485218049.db2.gz OYTZKFRNTDTDGV-MRXNPFEDSA-N 0 3 371.434 -0.323 20 0 FBADHN C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000566461568 485218957 /nfs/dbraw/zinc/21/89/57/485218957.db2.gz ILJBVNKGFWNGIE-LLVKDONJSA-N 0 3 356.448 -0.941 20 0 FBADHN C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000566461571 485218817 /nfs/dbraw/zinc/21/88/17/485218817.db2.gz ILJBVNKGFWNGIE-NSHDSACASA-N 0 3 356.448 -0.941 20 0 FBADHN C[C@@H](NC(=O)c1cc2c(ncnc2N(C)C)n1C)C(=O)NCCN(C)C ZINC000566462439 485218597 /nfs/dbraw/zinc/21/85/97/485218597.db2.gz NQHKOYHOSRTRPJ-LLVKDONJSA-N 0 3 361.450 -0.170 20 0 FBADHN C[C@H](NC(=O)c1cc2c(ncnc2N(C)C)n1C)C(=O)NCCN(C)C ZINC000566462440 485219286 /nfs/dbraw/zinc/21/92/86/485219286.db2.gz NQHKOYHOSRTRPJ-NSHDSACASA-N 0 3 361.450 -0.170 20 0 FBADHN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccn(CCN(C)C)n1 ZINC000566465592 485218619 /nfs/dbraw/zinc/21/86/19/485218619.db2.gz HPOJTCRMMIJNGV-CYBMUJFWSA-N 0 3 351.407 -0.662 20 0 FBADHN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccn(CCN(C)C)n1 ZINC000566465593 485218556 /nfs/dbraw/zinc/21/85/56/485218556.db2.gz HPOJTCRMMIJNGV-ZDUSSCGKSA-N 0 3 351.407 -0.662 20 0 FBADHN CS(=O)(=O)Nc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000566494776 485220023 /nfs/dbraw/zinc/22/00/23/485220023.db2.gz BLYJVYDLJPOVRE-CHWSQXEVSA-N 0 3 352.416 -0.558 20 0 FBADHN CS(=O)(=O)Nc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000566494777 485220350 /nfs/dbraw/zinc/22/03/50/485220350.db2.gz BLYJVYDLJPOVRE-OLZOCXBDSA-N 0 3 352.416 -0.558 20 0 FBADHN CS(=O)(=O)Nc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000566494779 485219911 /nfs/dbraw/zinc/21/99/11/485219911.db2.gz BLYJVYDLJPOVRE-QWHCGFSZSA-N 0 3 352.416 -0.558 20 0 FBADHN CS(=O)(=O)Nc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000566494781 485219889 /nfs/dbraw/zinc/21/98/89/485219889.db2.gz BLYJVYDLJPOVRE-STQMWFEESA-N 0 3 352.416 -0.558 20 0 FBADHN CS(=O)(=O)Nc1cccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000566495115 485219768 /nfs/dbraw/zinc/21/97/68/485219768.db2.gz CQIVVDYAVTWVEK-KBPBESRZSA-N 0 3 366.443 -0.629 20 0 FBADHN CS(=O)(=O)Nc1cccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000566495120 485219940 /nfs/dbraw/zinc/21/99/40/485219940.db2.gz CQIVVDYAVTWVEK-KGLIPLIRSA-N 0 3 366.443 -0.629 20 0 FBADHN CS(=O)(=O)Nc1cccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566495122 485220042 /nfs/dbraw/zinc/22/00/42/485220042.db2.gz CQIVVDYAVTWVEK-UONOGXRCSA-N 0 3 366.443 -0.629 20 0 FBADHN CS(=O)(=O)Nc1cccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000566495125 485219898 /nfs/dbraw/zinc/21/98/98/485219898.db2.gz CQIVVDYAVTWVEK-ZIAGYGMSSA-N 0 3 366.443 -0.629 20 0 FBADHN Cc1ccc(-c2nnn(CC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)n2)cc1 ZINC000566495675 485220345 /nfs/dbraw/zinc/22/03/45/485220345.db2.gz IBODDTXAFCMKRF-KBPBESRZSA-N 0 3 355.402 -0.581 20 0 FBADHN Cc1ccc(-c2nnn(CC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)n2)cc1 ZINC000566495676 485220062 /nfs/dbraw/zinc/22/00/62/485220062.db2.gz IBODDTXAFCMKRF-KGLIPLIRSA-N 0 3 355.402 -0.581 20 0 FBADHN Cc1ccc(-c2nnn(CC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)n2)cc1 ZINC000566495677 485220337 /nfs/dbraw/zinc/22/03/37/485220337.db2.gz IBODDTXAFCMKRF-UONOGXRCSA-N 0 3 355.402 -0.581 20 0 FBADHN Cc1ccc(-c2nnn(CC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)n2)cc1 ZINC000566495678 485219846 /nfs/dbraw/zinc/21/98/46/485219846.db2.gz IBODDTXAFCMKRF-ZIAGYGMSSA-N 0 3 355.402 -0.581 20 0 FBADHN COC(=O)c1sccc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566495779 485220431 /nfs/dbraw/zinc/22/04/31/485220431.db2.gz JTIBXHMTYZUSMF-NXEZZACHSA-N 0 3 352.416 -0.283 20 0 FBADHN COC(=O)c1sccc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566495780 485220073 /nfs/dbraw/zinc/22/00/73/485220073.db2.gz JTIBXHMTYZUSMF-UWVGGRQHSA-N 0 3 352.416 -0.283 20 0 FBADHN COC(=O)c1sccc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566495781 485219869 /nfs/dbraw/zinc/21/98/69/485219869.db2.gz JTIBXHMTYZUSMF-VHSXEESVSA-N 0 3 352.416 -0.283 20 0 FBADHN COC(=O)c1sccc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566495782 485219862 /nfs/dbraw/zinc/21/98/62/485219862.db2.gz JTIBXHMTYZUSMF-ZJUUUORDSA-N 0 3 352.416 -0.283 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCn3[nH]c(=O)c4ccccc4c3=O)CCN2C1=O ZINC000566495826 485219876 /nfs/dbraw/zinc/21/98/76/485219876.db2.gz KSWJCHDQXHHNER-BXUZGUMPSA-N 0 3 371.397 -0.737 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCn3[nH]c(=O)c4ccccc4c3=O)CCN2C1=O ZINC000566495827 485219834 /nfs/dbraw/zinc/21/98/34/485219834.db2.gz KSWJCHDQXHHNER-FZMZJTMJSA-N 0 3 371.397 -0.737 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCn3[nH]c(=O)c4ccccc4c3=O)CCN2C1=O ZINC000566495828 485220132 /nfs/dbraw/zinc/22/01/32/485220132.db2.gz KSWJCHDQXHHNER-RISCZKNCSA-N 0 3 371.397 -0.737 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCn3[nH]c(=O)c4ccccc4c3=O)CCN2C1=O ZINC000566495829 485220166 /nfs/dbraw/zinc/22/01/66/485220166.db2.gz KSWJCHDQXHHNER-SMDDNHRTSA-N 0 3 371.397 -0.737 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CCN2C1=O ZINC000566495916 485220265 /nfs/dbraw/zinc/22/02/65/485220265.db2.gz LYYOLLZDYIAPFC-AAEUAGOBSA-N 0 3 371.397 -0.737 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CCN2C1=O ZINC000566495917 485220293 /nfs/dbraw/zinc/22/02/93/485220293.db2.gz LYYOLLZDYIAPFC-DGCLKSJQSA-N 0 3 371.397 -0.737 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CCN2C1=O ZINC000566495918 485220031 /nfs/dbraw/zinc/22/00/31/485220031.db2.gz LYYOLLZDYIAPFC-WCQYABFASA-N 0 3 371.397 -0.737 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CCN2C1=O ZINC000566495919 485220225 /nfs/dbraw/zinc/22/02/25/485220225.db2.gz LYYOLLZDYIAPFC-YPMHNXCESA-N 0 3 371.397 -0.737 20 0 FBADHN CCN(CC)C(=O)N1CCC(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000566495975 485219800 /nfs/dbraw/zinc/21/98/00/485219800.db2.gz MXKJNPBRYVSKCB-CABCVRRESA-N 0 3 365.478 -0.069 20 0 FBADHN CCN(CC)C(=O)N1CCC(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000566495976 485219985 /nfs/dbraw/zinc/21/99/85/485219985.db2.gz MXKJNPBRYVSKCB-GJZGRUSLSA-N 0 3 365.478 -0.069 20 0 FBADHN CCN(CC)C(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000566495977 485220234 /nfs/dbraw/zinc/22/02/34/485220234.db2.gz MXKJNPBRYVSKCB-HUUCEWRRSA-N 0 3 365.478 -0.069 20 0 FBADHN CCN(CC)C(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000566495978 485219825 /nfs/dbraw/zinc/21/98/25/485219825.db2.gz MXKJNPBRYVSKCB-LSDHHAIUSA-N 0 3 365.478 -0.069 20 0 FBADHN CCS(=O)(=O)c1cccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566496480 485220209 /nfs/dbraw/zinc/22/02/09/485220209.db2.gz RTAIDJFZNSUSQA-DZGCQCFKSA-N 0 3 365.455 -0.207 20 0 FBADHN CCS(=O)(=O)c1cccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000566496481 485220157 /nfs/dbraw/zinc/22/01/57/485220157.db2.gz RTAIDJFZNSUSQA-HIFRSBDPSA-N 0 3 365.455 -0.207 20 0 FBADHN CCS(=O)(=O)c1cccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000566496482 485220300 /nfs/dbraw/zinc/22/03/00/485220300.db2.gz RTAIDJFZNSUSQA-UKRRQHHQSA-N 0 3 365.455 -0.207 20 0 FBADHN CCS(=O)(=O)c1cccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000566496483 485221128 /nfs/dbraw/zinc/22/11/28/485221128.db2.gz RTAIDJFZNSUSQA-ZFWWWQNUSA-N 0 3 365.455 -0.207 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)n1nnc(-c2ccccc2)n1 ZINC000566496571 485221822 /nfs/dbraw/zinc/22/18/22/485221822.db2.gz SBBHGLWAQCWPFO-BNOWGMLFSA-N 0 3 355.402 -0.329 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)n1nnc(-c2ccccc2)n1 ZINC000566496574 485220902 /nfs/dbraw/zinc/22/09/02/485220902.db2.gz SBBHGLWAQCWPFO-KWCYVHTRSA-N 0 3 355.402 -0.329 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)n1nnc(-c2ccccc2)n1 ZINC000566496575 485220950 /nfs/dbraw/zinc/22/09/50/485220950.db2.gz SBBHGLWAQCWPFO-MRVWCRGKSA-N 0 3 355.402 -0.329 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)n1nnc(-c2ccccc2)n1 ZINC000566496576 485221748 /nfs/dbraw/zinc/22/17/48/485221748.db2.gz SBBHGLWAQCWPFO-XBFCOCLRSA-N 0 3 355.402 -0.329 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C1=O ZINC000566496881 485221405 /nfs/dbraw/zinc/22/14/05/485221405.db2.gz VNIUQFYDCGHDJJ-DOTOQJQBSA-N 0 3 358.442 -0.097 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C1=O ZINC000566496882 485221503 /nfs/dbraw/zinc/22/15/03/485221503.db2.gz VNIUQFYDCGHDJJ-NVXWUHKLSA-N 0 3 358.442 -0.097 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C1=O ZINC000566496883 485221831 /nfs/dbraw/zinc/22/18/31/485221831.db2.gz VNIUQFYDCGHDJJ-RDJZCZTQSA-N 0 3 358.442 -0.097 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C1=O ZINC000566496884 485220743 /nfs/dbraw/zinc/22/07/43/485220743.db2.gz VNIUQFYDCGHDJJ-WBVHZDCISA-N 0 3 358.442 -0.097 20 0 FBADHN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566497257 485220886 /nfs/dbraw/zinc/22/08/86/485220886.db2.gz YLDFRMFNGFHFBZ-AGIUHOORSA-N 0 3 353.467 -0.121 20 0 FBADHN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566497258 485221816 /nfs/dbraw/zinc/22/18/16/485221816.db2.gz YLDFRMFNGFHFBZ-AVGNSLFASA-N 0 3 353.467 -0.121 20 0 FBADHN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566497259 485220826 /nfs/dbraw/zinc/22/08/26/485220826.db2.gz YLDFRMFNGFHFBZ-UPJWGTAASA-N 0 3 353.467 -0.121 20 0 FBADHN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566497260 485221796 /nfs/dbraw/zinc/22/17/96/485221796.db2.gz YLDFRMFNGFHFBZ-XQQFMLRXSA-N 0 3 353.467 -0.121 20 0 FBADHN Cn1cc(-c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCN(C)C3)c2)nn1 ZINC000566500317 485221274 /nfs/dbraw/zinc/22/12/74/485221274.db2.gz LCURZHWSFPBADL-KRWDZBQOSA-N 0 3 358.402 -0.397 20 0 FBADHN Cn1cc(-c2cccc(NC(=O)C(=O)NC[C@]3(O)CCN(C)C3)c2)nn1 ZINC000566500318 485221531 /nfs/dbraw/zinc/22/15/31/485221531.db2.gz LCURZHWSFPBADL-QGZVFWFLSA-N 0 3 358.402 -0.397 20 0 FBADHN Cn1cc(-c2cccc(NC(=O)C(=O)NCC3(O)CCN(C)CC3)c2)nn1 ZINC000566500465 485221641 /nfs/dbraw/zinc/22/16/41/485221641.db2.gz NDNIEFKUSAPESA-UHFFFAOYSA-N 0 3 372.429 -0.007 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCc4c3cccc4Cl)CCN2C1=O ZINC000566504307 485221349 /nfs/dbraw/zinc/22/13/49/485221349.db2.gz BFMDAMPHVNCCFE-GWCFXTLKSA-N 0 3 362.817 -0.001 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCc4c3cccc4Cl)CCN2C1=O ZINC000566504309 485221844 /nfs/dbraw/zinc/22/18/44/485221844.db2.gz BFMDAMPHVNCCFE-GXFFZTMASA-N 0 3 362.817 -0.001 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCc4c3cccc4Cl)CCN2C1=O ZINC000566504311 485221631 /nfs/dbraw/zinc/22/16/31/485221631.db2.gz BFMDAMPHVNCCFE-MFKMUULPSA-N 0 3 362.817 -0.001 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCc4c3cccc4Cl)CCN2C1=O ZINC000566504313 485221166 /nfs/dbraw/zinc/22/11/66/485221166.db2.gz BFMDAMPHVNCCFE-ZWNOBZJWSA-N 0 3 362.817 -0.001 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc(F)c3F)CCN2C1=O ZINC000566504467 485221850 /nfs/dbraw/zinc/22/18/50/485221850.db2.gz CYWXPPBRHYFGME-PSASIEDQSA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc(F)c3F)CCN2C1=O ZINC000566504471 485221004 /nfs/dbraw/zinc/22/10/04/485221004.db2.gz CYWXPPBRHYFGME-SCZZXKLOSA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc(F)c3F)CCN2C1=O ZINC000566504472 485221087 /nfs/dbraw/zinc/22/10/87/485221087.db2.gz CYWXPPBRHYFGME-WCBMZHEXSA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc(F)c3F)CCN2C1=O ZINC000566504473 485221386 /nfs/dbraw/zinc/22/13/86/485221386.db2.gz CYWXPPBRHYFGME-WPRPVWTQSA-N 0 3 356.304 -0.187 20 0 FBADHN CCCn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C1CC1 ZINC000566504714 485220876 /nfs/dbraw/zinc/22/08/76/485220876.db2.gz GWTAMWPFSAJOFP-CHWSQXEVSA-N 0 3 374.445 -0.121 20 0 FBADHN CCCn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1C1CC1 ZINC000566504715 485221866 /nfs/dbraw/zinc/22/18/66/485221866.db2.gz GWTAMWPFSAJOFP-OLZOCXBDSA-N 0 3 374.445 -0.121 20 0 FBADHN CCCn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C1CC1 ZINC000566504716 485221101 /nfs/dbraw/zinc/22/11/01/485221101.db2.gz GWTAMWPFSAJOFP-QWHCGFSZSA-N 0 3 374.445 -0.121 20 0 FBADHN CCCn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C1CC1 ZINC000566504717 485221044 /nfs/dbraw/zinc/22/10/44/485221044.db2.gz GWTAMWPFSAJOFP-STQMWFEESA-N 0 3 374.445 -0.121 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)CCN2C1=O ZINC000566504989 485221205 /nfs/dbraw/zinc/22/12/05/485221205.db2.gz QRNHPPNFYMULTK-CMPLNLGQSA-N 0 3 360.353 -0.423 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)CCN2C1=O ZINC000566504992 485221769 /nfs/dbraw/zinc/22/17/69/485221769.db2.gz QRNHPPNFYMULTK-JQWIXIFHSA-N 0 3 360.353 -0.423 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)CCN2C1=O ZINC000566504993 485221019 /nfs/dbraw/zinc/22/10/19/485221019.db2.gz QRNHPPNFYMULTK-PWSUYJOCSA-N 0 3 360.353 -0.423 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)CCN2C1=O ZINC000566504994 485221838 /nfs/dbraw/zinc/22/18/38/485221838.db2.gz QRNHPPNFYMULTK-ZYHUDNBSSA-N 0 3 360.353 -0.423 20 0 FBADHN CC(C)Cc1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000566505628 485221317 /nfs/dbraw/zinc/22/13/17/485221317.db2.gz PPCNRMCFDPBHCD-CHWSQXEVSA-N 0 3 360.418 -0.616 20 0 FBADHN CC(C)Cc1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000566505632 485221689 /nfs/dbraw/zinc/22/16/89/485221689.db2.gz PPCNRMCFDPBHCD-OLZOCXBDSA-N 0 3 360.418 -0.616 20 0 FBADHN CC(C)Cc1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000566505635 485221242 /nfs/dbraw/zinc/22/12/42/485221242.db2.gz PPCNRMCFDPBHCD-QWHCGFSZSA-N 0 3 360.418 -0.616 20 0 FBADHN CC(C)Cc1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000566505637 485221460 /nfs/dbraw/zinc/22/14/60/485221460.db2.gz PPCNRMCFDPBHCD-STQMWFEESA-N 0 3 360.418 -0.616 20 0 FBADHN CCOc1ncc(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566505856 485221622 /nfs/dbraw/zinc/22/16/22/485221622.db2.gz TZRGOFYOBBTLSW-NEPJUHHUSA-N 0 3 361.402 -0.502 20 0 FBADHN CCOc1ncc(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566505857 485221284 /nfs/dbraw/zinc/22/12/84/485221284.db2.gz TZRGOFYOBBTLSW-NWDGAFQWSA-N 0 3 361.402 -0.502 20 0 FBADHN CCOc1ncc(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566505859 485220991 /nfs/dbraw/zinc/22/09/91/485220991.db2.gz TZRGOFYOBBTLSW-RYUDHWBXSA-N 0 3 361.402 -0.502 20 0 FBADHN CCOc1ncc(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566505860 485220864 /nfs/dbraw/zinc/22/08/64/485220864.db2.gz TZRGOFYOBBTLSW-VXGBXAGGSA-N 0 3 361.402 -0.502 20 0 FBADHN CCCc1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000566506211 485221217 /nfs/dbraw/zinc/22/12/17/485221217.db2.gz ZBPOOJJGXCFDCY-GXSJLCMTSA-N 0 3 351.432 -0.196 20 0 FBADHN CCCc1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000566506212 485220980 /nfs/dbraw/zinc/22/09/80/485220980.db2.gz ZBPOOJJGXCFDCY-KOLCDFICSA-N 0 3 351.432 -0.196 20 0 FBADHN CCCc1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000566506213 485221673 /nfs/dbraw/zinc/22/16/73/485221673.db2.gz ZBPOOJJGXCFDCY-MWLCHTKSSA-N 0 3 351.432 -0.196 20 0 FBADHN CCCc1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000566506214 485221337 /nfs/dbraw/zinc/22/13/37/485221337.db2.gz ZBPOOJJGXCFDCY-ONGXEEELSA-N 0 3 351.432 -0.196 20 0 FBADHN CN1CCOc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000566506244 485221364 /nfs/dbraw/zinc/22/13/64/485221364.db2.gz ZPVOHQYTWPQTDH-CHWSQXEVSA-N 0 3 373.413 -0.776 20 0 FBADHN CN1CCOc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000566506245 485221600 /nfs/dbraw/zinc/22/16/00/485221600.db2.gz ZPVOHQYTWPQTDH-OLZOCXBDSA-N 0 3 373.413 -0.776 20 0 FBADHN CN1CCOc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc21 ZINC000566506246 485221805 /nfs/dbraw/zinc/22/18/05/485221805.db2.gz ZPVOHQYTWPQTDH-QWHCGFSZSA-N 0 3 373.413 -0.776 20 0 FBADHN CN1CCOc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000566506247 485221561 /nfs/dbraw/zinc/22/15/61/485221561.db2.gz ZPVOHQYTWPQTDH-STQMWFEESA-N 0 3 373.413 -0.776 20 0 FBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc(N2CCCC2)n1 ZINC000566509362 485221729 /nfs/dbraw/zinc/22/17/29/485221729.db2.gz SYDWTFZPHRHIAP-CABCVRRESA-N 0 3 373.461 -0.161 20 0 FBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc(N2CCCC2)n1 ZINC000566509363 485221296 /nfs/dbraw/zinc/22/12/96/485221296.db2.gz SYDWTFZPHRHIAP-GJZGRUSLSA-N 0 3 373.461 -0.161 20 0 FBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc(N2CCCC2)n1 ZINC000566509364 485220767 /nfs/dbraw/zinc/22/07/67/485220767.db2.gz SYDWTFZPHRHIAP-HUUCEWRRSA-N 0 3 373.461 -0.161 20 0 FBADHN Cc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc(N2CCCC2)n1 ZINC000566509365 485221255 /nfs/dbraw/zinc/22/12/55/485221255.db2.gz SYDWTFZPHRHIAP-LSDHHAIUSA-N 0 3 373.461 -0.161 20 0 FBADHN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566510803 485221476 /nfs/dbraw/zinc/22/14/76/485221476.db2.gz BTOSQYNHTLRKLA-GUTXKFCHSA-N 0 3 374.441 -0.049 20 0 FBADHN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566510804 485221539 /nfs/dbraw/zinc/22/15/39/485221539.db2.gz BTOSQYNHTLRKLA-GZBFAFLISA-N 0 3 374.441 -0.049 20 0 FBADHN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566510805 485221418 /nfs/dbraw/zinc/22/14/18/485221418.db2.gz BTOSQYNHTLRKLA-KCQAQPDRSA-N 0 3 374.441 -0.049 20 0 FBADHN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566510806 485221150 /nfs/dbraw/zinc/22/11/50/485221150.db2.gz BTOSQYNHTLRKLA-YDHLFZDLSA-N 0 3 374.441 -0.049 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc4cccnc43)CCN2C1=O ZINC000566510914 485221184 /nfs/dbraw/zinc/22/11/84/485221184.db2.gz DMOJLYWIUMAXFP-CABCVRRESA-N 0 3 367.409 -0.379 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc4cccnc43)CCN2C1=O ZINC000566510915 485221610 /nfs/dbraw/zinc/22/16/10/485221610.db2.gz DMOJLYWIUMAXFP-GJZGRUSLSA-N 0 3 367.409 -0.379 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc4cccnc43)CCN2C1=O ZINC000566510916 485220838 /nfs/dbraw/zinc/22/08/38/485220838.db2.gz DMOJLYWIUMAXFP-HUUCEWRRSA-N 0 3 367.409 -0.379 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc4cccnc43)CCN2C1=O ZINC000566510917 485221375 /nfs/dbraw/zinc/22/13/75/485221375.db2.gz DMOJLYWIUMAXFP-LSDHHAIUSA-N 0 3 367.409 -0.379 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000566510978 485221710 /nfs/dbraw/zinc/22/17/10/485221710.db2.gz FYMOHAKWQWTKFF-CVEARBPZSA-N 0 3 373.457 -0.995 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000566510979 485220922 /nfs/dbraw/zinc/22/09/22/485220922.db2.gz FYMOHAKWQWTKFF-HOTGVXAUSA-N 0 3 373.457 -0.995 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000566510980 485220811 /nfs/dbraw/zinc/22/08/11/485220811.db2.gz FYMOHAKWQWTKFF-HZPDHXFCSA-N 0 3 373.457 -0.995 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000566510981 485221662 /nfs/dbraw/zinc/22/16/62/485221662.db2.gz FYMOHAKWQWTKFF-JKSUJKDBSA-N 0 3 373.457 -0.995 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3F)CCN2C1=O ZINC000566510987 485221786 /nfs/dbraw/zinc/22/17/86/485221786.db2.gz GDPCSEYCDPHENS-AAEUAGOBSA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3F)CCN2C1=O ZINC000566510988 485221329 /nfs/dbraw/zinc/22/13/29/485221329.db2.gz GDPCSEYCDPHENS-DGCLKSJQSA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3F)CCN2C1=O ZINC000566510989 485221590 /nfs/dbraw/zinc/22/15/90/485221590.db2.gz GDPCSEYCDPHENS-WCQYABFASA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3F)CCN2C1=O ZINC000566510990 485221720 /nfs/dbraw/zinc/22/17/20/485221720.db2.gz GDPCSEYCDPHENS-YPMHNXCESA-N 0 3 352.341 -0.649 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1c(F)cccc1F ZINC000566511023 485221575 /nfs/dbraw/zinc/22/15/75/485221575.db2.gz GVMPHBKFESPVDW-CWSCBRNRSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1c(F)cccc1F ZINC000566511024 485221740 /nfs/dbraw/zinc/22/17/40/485221740.db2.gz GVMPHBKFESPVDW-KWBADKCTSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1c(F)cccc1F ZINC000566511025 485220711 /nfs/dbraw/zinc/22/07/11/485220711.db2.gz GVMPHBKFESPVDW-OPQQBVKSSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1c(F)cccc1F ZINC000566511026 485220725 /nfs/dbraw/zinc/22/07/25/485220725.db2.gz GVMPHBKFESPVDW-OUJBWJOFSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](CCCc1cccnc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566511119 485221759 /nfs/dbraw/zinc/22/17/59/485221759.db2.gz JUHGIDHERXCXDW-BMFZPTHFSA-N 0 3 373.457 -0.321 20 0 FBADHN C[C@H](CCCc1cccnc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566511120 485220782 /nfs/dbraw/zinc/22/07/82/485220782.db2.gz JUHGIDHERXCXDW-FVQBIDKESA-N 0 3 373.457 -0.321 20 0 FBADHN C[C@H](CCCc1cccnc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566511121 485221072 /nfs/dbraw/zinc/22/10/72/485221072.db2.gz JUHGIDHERXCXDW-KBMXLJTQSA-N 0 3 373.457 -0.321 20 0 FBADHN C[C@H](CCCc1cccnc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566511122 485222548 /nfs/dbraw/zinc/22/25/48/485222548.db2.gz JUHGIDHERXCXDW-VNQPRFMTSA-N 0 3 373.457 -0.321 20 0 FBADHN CC(C)[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566511130 485223161 /nfs/dbraw/zinc/22/31/61/485223161.db2.gz KDFFOCYSZFFIHL-AXFHLTTASA-N 0 3 364.368 -0.150 20 0 FBADHN CC(C)[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566511131 485223015 /nfs/dbraw/zinc/22/30/15/485223015.db2.gz KDFFOCYSZFFIHL-DCAQKATOSA-N 0 3 364.368 -0.150 20 0 FBADHN CC(C)[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566511132 485222838 /nfs/dbraw/zinc/22/28/38/485222838.db2.gz KDFFOCYSZFFIHL-MXWKQRLJSA-N 0 3 364.368 -0.150 20 0 FBADHN CC(C)[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566511133 485223006 /nfs/dbraw/zinc/22/30/06/485223006.db2.gz KDFFOCYSZFFIHL-VWYCJHECSA-N 0 3 364.368 -0.150 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)c1 ZINC000566511214 485222921 /nfs/dbraw/zinc/22/29/21/485222921.db2.gz MFTOHLOSLXYNCL-DZGCQCFKSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)c1 ZINC000566511215 485222473 /nfs/dbraw/zinc/22/24/73/485222473.db2.gz MFTOHLOSLXYNCL-HIFRSBDPSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)c1 ZINC000566511216 485223091 /nfs/dbraw/zinc/22/30/91/485223091.db2.gz MFTOHLOSLXYNCL-UKRRQHHQSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1 ZINC000566511217 485222633 /nfs/dbraw/zinc/22/26/33/485222633.db2.gz MFTOHLOSLXYNCL-ZFWWWQNUSA-N 0 3 360.414 -0.610 20 0 FBADHN CCOCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000566511305 485222149 /nfs/dbraw/zinc/22/21/49/485222149.db2.gz OOURNFLONXGGEZ-CHWSQXEVSA-N 0 3 352.435 -0.920 20 0 FBADHN CCOCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000566511306 485222261 /nfs/dbraw/zinc/22/22/61/485222261.db2.gz OOURNFLONXGGEZ-OLZOCXBDSA-N 0 3 352.435 -0.920 20 0 FBADHN CCOCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000566511307 485223146 /nfs/dbraw/zinc/22/31/46/485223146.db2.gz OOURNFLONXGGEZ-QWHCGFSZSA-N 0 3 352.435 -0.920 20 0 FBADHN CCOCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000566511308 485222899 /nfs/dbraw/zinc/22/28/99/485222899.db2.gz OOURNFLONXGGEZ-STQMWFEESA-N 0 3 352.435 -0.920 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CC3)CCN2C1=O ZINC000566511431 485223112 /nfs/dbraw/zinc/22/31/12/485223112.db2.gz RTPPTVFPLKDMGS-CABCVRRESA-N 0 3 356.426 -0.395 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CC3)CCN2C1=O ZINC000566511432 485222974 /nfs/dbraw/zinc/22/29/74/485222974.db2.gz RTPPTVFPLKDMGS-GJZGRUSLSA-N 0 3 356.426 -0.395 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CC3)CCN2C1=O ZINC000566511433 485222914 /nfs/dbraw/zinc/22/29/14/485222914.db2.gz RTPPTVFPLKDMGS-HUUCEWRRSA-N 0 3 356.426 -0.395 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CC3)CCN2C1=O ZINC000566511434 485222487 /nfs/dbraw/zinc/22/24/87/485222487.db2.gz RTPPTVFPLKDMGS-LSDHHAIUSA-N 0 3 356.426 -0.395 20 0 FBADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000566511536 485223154 /nfs/dbraw/zinc/22/31/54/485223154.db2.gz VBTKRVAVBRMDKX-DZKIICNBSA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000566511537 485222871 /nfs/dbraw/zinc/22/28/71/485222871.db2.gz VBTKRVAVBRMDKX-LZWOXQAQSA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566511538 485222295 /nfs/dbraw/zinc/22/22/95/485222295.db2.gz VBTKRVAVBRMDKX-OFQRWUPVSA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000566511539 485222700 /nfs/dbraw/zinc/22/27/00/485222700.db2.gz VBTKRVAVBRMDKX-SQWLQELKSA-N 0 3 374.441 -0.351 20 0 FBADHN C[C@@H]1CC(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H](C)O1 ZINC000566511630 485223034 /nfs/dbraw/zinc/22/30/34/485223034.db2.gz XASBOTBNRUYZOP-HBJVGIJOSA-N 0 3 352.435 -0.923 20 0 FBADHN C[C@@H]1CC(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H](C)O1 ZINC000566511631 485222747 /nfs/dbraw/zinc/22/27/47/485222747.db2.gz XASBOTBNRUYZOP-MHDGFBEUSA-N 0 3 352.435 -0.923 20 0 FBADHN C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H](C)O1 ZINC000566511632 485223121 /nfs/dbraw/zinc/22/31/21/485223121.db2.gz XASBOTBNRUYZOP-XVIXHAIJSA-N 0 3 352.435 -0.923 20 0 FBADHN C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H](C)O1 ZINC000566511633 485223028 /nfs/dbraw/zinc/22/30/28/485223028.db2.gz XASBOTBNRUYZOP-ZUWCUPBKSA-N 0 3 352.435 -0.923 20 0 FBADHN CC1(c2ccccc2)CC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000566511676 485222357 /nfs/dbraw/zinc/22/23/57/485222357.db2.gz XSTGRAYONZBLAQ-FZTQNYJHSA-N 0 3 370.453 -0.007 20 0 FBADHN CC1(c2ccccc2)CC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000566511677 485222519 /nfs/dbraw/zinc/22/25/19/485222519.db2.gz XSTGRAYONZBLAQ-KMFGOTIKSA-N 0 3 370.453 -0.007 20 0 FBADHN CC1(c2ccccc2)CC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000566511678 485223039 /nfs/dbraw/zinc/22/30/39/485223039.db2.gz XSTGRAYONZBLAQ-QNBXZPKWSA-N 0 3 370.453 -0.007 20 0 FBADHN CC1(c2ccccc2)CC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000566511679 485222856 /nfs/dbraw/zinc/22/28/56/485222856.db2.gz XSTGRAYONZBLAQ-SIRSKZSMSA-N 0 3 370.453 -0.007 20 0 FBADHN CC(C)n1cc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000566511707 485222956 /nfs/dbraw/zinc/22/29/56/485222956.db2.gz XVDJALSIBUPIIL-FPMFFAJLSA-N 0 3 362.434 -0.588 20 0 FBADHN CC(C)n1cc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000566511713 485222937 /nfs/dbraw/zinc/22/29/37/485222937.db2.gz XVDJALSIBUPIIL-IACUBPJLSA-N 0 3 362.434 -0.588 20 0 FBADHN CC(C)n1cc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000566511715 485222908 /nfs/dbraw/zinc/22/29/08/485222908.db2.gz XVDJALSIBUPIIL-UBHSHLNASA-N 0 3 362.434 -0.588 20 0 FBADHN CC(C)n1cc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000566511717 485223077 /nfs/dbraw/zinc/22/30/77/485223077.db2.gz XVDJALSIBUPIIL-YUTCNCBUSA-N 0 3 362.434 -0.588 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOC3CCCCC3)CCN2C1=O ZINC000566511774 485222883 /nfs/dbraw/zinc/22/28/83/485222883.db2.gz YJNSSAYWSHJNNI-GXTWGEPZSA-N 0 3 352.435 -0.778 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOC3CCCCC3)CCN2C1=O ZINC000566511778 485222687 /nfs/dbraw/zinc/22/26/87/485222687.db2.gz YJNSSAYWSHJNNI-JSGCOSHPSA-N 0 3 352.435 -0.778 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOC3CCCCC3)CCN2C1=O ZINC000566511779 485223129 /nfs/dbraw/zinc/22/31/29/485223129.db2.gz YJNSSAYWSHJNNI-OCCSQVGLSA-N 0 3 352.435 -0.778 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOC3CCCCC3)CCN2C1=O ZINC000566511781 485223180 /nfs/dbraw/zinc/22/31/80/485223180.db2.gz YJNSSAYWSHJNNI-TZMCWYRMSA-N 0 3 352.435 -0.778 20 0 FBADHN Cc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)sc1C ZINC000566511835 485222831 /nfs/dbraw/zinc/22/28/31/485222831.db2.gz YXVNJHAJIRERHW-NEPJUHHUSA-N 0 3 365.459 -0.811 20 0 FBADHN Cc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)sc1C ZINC000566511840 485222789 /nfs/dbraw/zinc/22/27/89/485222789.db2.gz YXVNJHAJIRERHW-NWDGAFQWSA-N 0 3 365.459 -0.811 20 0 FBADHN Cc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)sc1C ZINC000566511841 485222536 /nfs/dbraw/zinc/22/25/36/485222536.db2.gz YXVNJHAJIRERHW-RYUDHWBXSA-N 0 3 365.459 -0.811 20 0 FBADHN Cc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)sc1C ZINC000566511842 485223105 /nfs/dbraw/zinc/22/31/05/485223105.db2.gz YXVNJHAJIRERHW-VXGBXAGGSA-N 0 3 365.459 -0.811 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(=O)N1CCCC[C@@H]1C ZINC000566512291 485223136 /nfs/dbraw/zinc/22/31/36/485223136.db2.gz KBFKSZKPLHAPTO-IGQOVBAYSA-N 0 3 351.451 -0.271 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(=O)N1CCCC[C@@H]1C ZINC000566512292 485222646 /nfs/dbraw/zinc/22/26/46/485222646.db2.gz KBFKSZKPLHAPTO-XDQVBPFNSA-N 0 3 351.451 -0.271 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(=O)N1CCCC[C@H]1C ZINC000566512293 485222407 /nfs/dbraw/zinc/22/24/07/485222407.db2.gz KBFKSZKPLHAPTO-XJFOESAGSA-N 0 3 351.451 -0.271 20 0 FBADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(=O)N1CCCC[C@H]1C ZINC000566512294 485222277 /nfs/dbraw/zinc/22/22/77/485222277.db2.gz KBFKSZKPLHAPTO-ZOBORPQBSA-N 0 3 351.451 -0.271 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccnc(-n4cccn4)c3)CCN2C1=O ZINC000566512351 485222603 /nfs/dbraw/zinc/22/26/03/485222603.db2.gz DVZHWOLECKWFNN-KBPBESRZSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccnc(-n4cccn4)c3)CCN2C1=O ZINC000566512355 485223086 /nfs/dbraw/zinc/22/30/86/485223086.db2.gz DVZHWOLECKWFNN-KGLIPLIRSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccnc(-n4cccn4)c3)CCN2C1=O ZINC000566512357 485222866 /nfs/dbraw/zinc/22/28/66/485222866.db2.gz DVZHWOLECKWFNN-UONOGXRCSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccnc(-n4cccn4)c3)CCN2C1=O ZINC000566512359 485223190 /nfs/dbraw/zinc/22/31/90/485223190.db2.gz DVZHWOLECKWFNN-ZIAGYGMSSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000566512367 485222968 /nfs/dbraw/zinc/22/29/68/485222968.db2.gz DYYCPTJIDAMERZ-DLBZAZTESA-N 0 3 357.458 -0.002 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000566512369 485222820 /nfs/dbraw/zinc/22/28/20/485222820.db2.gz DYYCPTJIDAMERZ-IAGOWNOFSA-N 0 3 357.458 -0.002 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000566512373 485222593 /nfs/dbraw/zinc/22/25/93/485222593.db2.gz DYYCPTJIDAMERZ-IRXDYDNUSA-N 0 3 357.458 -0.002 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000566512374 485222669 /nfs/dbraw/zinc/22/26/69/485222669.db2.gz DYYCPTJIDAMERZ-SJORKVTESA-N 0 3 357.458 -0.002 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NC3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000566513238 485223099 /nfs/dbraw/zinc/22/30/99/485223099.db2.gz ORLXEWVNZODWGD-DLBZAZTESA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NC3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000566513239 485222321 /nfs/dbraw/zinc/22/23/21/485222321.db2.gz ORLXEWVNZODWGD-IAGOWNOFSA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NC3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000566513240 485222435 /nfs/dbraw/zinc/22/24/35/485222435.db2.gz ORLXEWVNZODWGD-IRXDYDNUSA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NC3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000566513242 485222724 /nfs/dbraw/zinc/22/27/24/485222724.db2.gz ORLXEWVNZODWGD-SJORKVTESA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCC(=O)NC3CCCCC3)CCN2C1=O ZINC000566513243 485223000 /nfs/dbraw/zinc/22/30/00/485223000.db2.gz OSFMILCGFCRZJK-KBPBESRZSA-N 0 3 351.451 -0.221 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCC(=O)NC3CCCCC3)CCN2C1=O ZINC000566513245 485222929 /nfs/dbraw/zinc/22/29/29/485222929.db2.gz OSFMILCGFCRZJK-KGLIPLIRSA-N 0 3 351.451 -0.221 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCC(=O)NC3CCCCC3)CCN2C1=O ZINC000566513246 485222454 /nfs/dbraw/zinc/22/24/54/485222454.db2.gz OSFMILCGFCRZJK-UONOGXRCSA-N 0 3 351.451 -0.221 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCC(=O)NC3CCCCC3)CCN2C1=O ZINC000566513248 485223081 /nfs/dbraw/zinc/22/30/81/485223081.db2.gz OSFMILCGFCRZJK-ZIAGYGMSSA-N 0 3 351.451 -0.221 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1 ZINC000566517950 485222417 /nfs/dbraw/zinc/22/24/17/485222417.db2.gz LHCXHEYDCZBLIL-HNNXBMFYSA-N 0 3 357.451 -0.475 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCCOC[C@H]2CCCO2)CC1 ZINC000566517951 485222232 /nfs/dbraw/zinc/22/22/32/485222232.db2.gz LHCXHEYDCZBLIL-OAHLLOKOSA-N 0 3 357.451 -0.475 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NCCN(C)CCOC)[C@H](C)C1 ZINC000566520520 485222620 /nfs/dbraw/zinc/22/26/20/485222620.db2.gz ZNGBUBOYODANHM-CYBMUJFWSA-N 0 3 350.485 -0.370 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000566524580 485224060 /nfs/dbraw/zinc/22/40/60/485224060.db2.gz TXHXRLPJKGUCQX-LLVKDONJSA-N 0 3 356.448 -0.561 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000566524581 485223917 /nfs/dbraw/zinc/22/39/17/485223917.db2.gz TXHXRLPJKGUCQX-NSHDSACASA-N 0 3 356.448 -0.561 20 0 FBADHN CN1CCN(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)[C@H](CN)C1 ZINC000566551261 485224296 /nfs/dbraw/zinc/22/42/96/485224296.db2.gz LAFCBTAXLUDUQP-CVEARBPZSA-N 0 3 360.462 -0.143 20 0 FBADHN CN1CCN(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)[C@@H](CN)C1 ZINC000566551262 485224269 /nfs/dbraw/zinc/22/42/69/485224269.db2.gz LAFCBTAXLUDUQP-HOTGVXAUSA-N 0 3 360.462 -0.143 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)[C@H](CN)C1 ZINC000566551263 485224320 /nfs/dbraw/zinc/22/43/20/485224320.db2.gz LAFCBTAXLUDUQP-HZPDHXFCSA-N 0 3 360.462 -0.143 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)[C@@H](CN)C1 ZINC000566551264 485224082 /nfs/dbraw/zinc/22/40/82/485224082.db2.gz LAFCBTAXLUDUQP-JKSUJKDBSA-N 0 3 360.462 -0.143 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccc(F)c(F)c2F)[C@H](CN)C1 ZINC000566552107 485223820 /nfs/dbraw/zinc/22/38/20/485223820.db2.gz ZIGXNPZPPJFOBV-LLVKDONJSA-N 0 3 358.364 -0.136 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccc(F)c(F)c2F)[C@@H](CN)C1 ZINC000566552108 485223575 /nfs/dbraw/zinc/22/35/75/485223575.db2.gz ZIGXNPZPPJFOBV-NSHDSACASA-N 0 3 358.364 -0.136 20 0 FBADHN CCS(=O)(=O)NCc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000566560512 485223642 /nfs/dbraw/zinc/22/36/42/485223642.db2.gz XIMGRRDRYUOUNT-HNNXBMFYSA-N 0 3 354.476 -0.159 20 0 FBADHN CCS(=O)(=O)NCc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000566560513 485224002 /nfs/dbraw/zinc/22/40/02/485224002.db2.gz XIMGRRDRYUOUNT-OAHLLOKOSA-N 0 3 354.476 -0.159 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000566561867 485224250 /nfs/dbraw/zinc/22/42/50/485224250.db2.gz UESBIWHAKFYKQW-KRWDZBQOSA-N 0 3 374.485 -0.014 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000566561868 485224099 /nfs/dbraw/zinc/22/40/99/485224099.db2.gz UESBIWHAKFYKQW-QGZVFWFLSA-N 0 3 374.485 -0.014 20 0 FBADHN Cc1nn2cc(S(=O)(=O)N3CCN(C)C[C@@H]3CN)cnc2c1Cl ZINC000566563893 485224220 /nfs/dbraw/zinc/22/42/20/485224220.db2.gz JTETUCWWRFZEIT-JTQLQIEISA-N 0 3 358.855 -0.045 20 0 FBADHN Cc1nn2cc(S(=O)(=O)N3CCN(C)C[C@H]3CN)cnc2c1Cl ZINC000566563895 485224031 /nfs/dbraw/zinc/22/40/31/485224031.db2.gz JTETUCWWRFZEIT-SNVBAGLBSA-N 0 3 358.855 -0.045 20 0 FBADHN CN(C)CCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000566566044 485223499 /nfs/dbraw/zinc/22/34/99/485223499.db2.gz WLBCJJMNTWYZNN-UHFFFAOYSA-N 0 3 372.491 -0.019 20 0 FBADHN CCOC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566571735 485225459 /nfs/dbraw/zinc/22/54/59/485225459.db2.gz BXNXWOGYUDQMHW-GXTWGEPZSA-N 0 3 367.427 -0.204 20 0 FBADHN CCOC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000566571736 485225445 /nfs/dbraw/zinc/22/54/45/485225445.db2.gz BXNXWOGYUDQMHW-JSGCOSHPSA-N 0 3 367.427 -0.204 20 0 FBADHN CCOC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000566571737 485225180 /nfs/dbraw/zinc/22/51/80/485225180.db2.gz BXNXWOGYUDQMHW-OCCSQVGLSA-N 0 3 367.427 -0.204 20 0 FBADHN CCOC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000566571738 485225266 /nfs/dbraw/zinc/22/52/66/485225266.db2.gz BXNXWOGYUDQMHW-TZMCWYRMSA-N 0 3 367.427 -0.204 20 0 FBADHN CC(C)c1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000566572197 485225761 /nfs/dbraw/zinc/22/57/61/485225761.db2.gz AIBURGRUCFUXHM-NXEZZACHSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000566572198 485224990 /nfs/dbraw/zinc/22/49/90/485224990.db2.gz AIBURGRUCFUXHM-UWVGGRQHSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000566572200 485225575 /nfs/dbraw/zinc/22/55/75/485225575.db2.gz AIBURGRUCFUXHM-VHSXEESVSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1cnc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000566572202 485225409 /nfs/dbraw/zinc/22/54/09/485225409.db2.gz AIBURGRUCFUXHM-ZJUUUORDSA-N 0 3 351.432 -0.025 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC4COC4)cc3)CCN2C1=O ZINC000566573286 485225567 /nfs/dbraw/zinc/22/55/67/485225567.db2.gz XBZKLMYGJLTTHH-DOMZBBRYSA-N 0 3 374.397 -0.827 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC4COC4)cc3)CCN2C1=O ZINC000566573287 485224768 /nfs/dbraw/zinc/22/47/68/485224768.db2.gz XBZKLMYGJLTTHH-IUODEOHRSA-N 0 3 374.397 -0.827 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC4COC4)cc3)CCN2C1=O ZINC000566573288 485224775 /nfs/dbraw/zinc/22/47/75/485224775.db2.gz XBZKLMYGJLTTHH-SWLSCSKDSA-N 0 3 374.397 -0.827 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC4COC4)cc3)CCN2C1=O ZINC000566573289 485225281 /nfs/dbraw/zinc/22/52/81/485225281.db2.gz XBZKLMYGJLTTHH-WFASDCNBSA-N 0 3 374.397 -0.827 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCCc1c(C)nn(C)c1C ZINC000566576472 485225478 /nfs/dbraw/zinc/22/54/78/485225478.db2.gz ZGQPHRHFARNXKR-UHFFFAOYSA-N 0 3 353.467 -0.268 20 0 FBADHN COC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000566587427 485224692 /nfs/dbraw/zinc/22/46/92/485224692.db2.gz CBYSKMYUCKKHFZ-UHFFFAOYSA-N 0 3 366.462 -0.562 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000566588911 485225025 /nfs/dbraw/zinc/22/50/25/485225025.db2.gz CJGCDWYXSJLYHA-CABCVRRESA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000566588912 485224744 /nfs/dbraw/zinc/22/47/44/485224744.db2.gz CJGCDWYXSJLYHA-GJZGRUSLSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000566588913 485225617 /nfs/dbraw/zinc/22/56/17/485225617.db2.gz CJGCDWYXSJLYHA-HUUCEWRRSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000566588914 485224816 /nfs/dbraw/zinc/22/48/16/485224816.db2.gz CJGCDWYXSJLYHA-LSDHHAIUSA-N 0 3 368.478 -0.414 20 0 FBADHN CSC1(CNS(=O)(=O)N2CCS(=O)(=O)CC2)CCN(C)CC1 ZINC000566589998 485225420 /nfs/dbraw/zinc/22/54/20/485225420.db2.gz KLCROSOGHYLYAO-UHFFFAOYSA-N 0 3 371.550 -0.621 20 0 FBADHN COCC1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCOCC1 ZINC000566591795 485224658 /nfs/dbraw/zinc/22/46/58/485224658.db2.gz NWGSGBVMTWKZGZ-UHFFFAOYSA-N 0 3 367.450 -0.057 20 0 FBADHN CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)CN1CCCC1 ZINC000566610328 485224797 /nfs/dbraw/zinc/22/47/97/485224797.db2.gz NKTRLTROUVZHNQ-UHFFFAOYSA-N 0 3 351.451 -0.345 20 0 FBADHN O=C(c1cccc(CNC[C@@H](O)CN2CCOCC2)c1)N1CCOCC1 ZINC000566612512 485226576 /nfs/dbraw/zinc/22/65/76/485226576.db2.gz QEYJVSDHWFFFSN-GOSISDBHSA-N 0 3 363.458 -0.058 20 0 FBADHN O=C(c1cccc(CNC[C@H](O)CN2CCOCC2)c1)N1CCOCC1 ZINC000566612513 485226277 /nfs/dbraw/zinc/22/62/77/485226277.db2.gz QEYJVSDHWFFFSN-SFHVURJKSA-N 0 3 363.458 -0.058 20 0 FBADHN C[C@H](CNCCC(=O)N1CCN(c2ncccn2)CC1)S(C)(=O)=O ZINC000566614981 485226373 /nfs/dbraw/zinc/22/63/73/485226373.db2.gz CHOZOIQYEFJZBN-CYBMUJFWSA-N 0 3 355.464 -0.462 20 0 FBADHN C[C@@H](CNCCC(=O)N1CCN(c2ncccn2)CC1)S(C)(=O)=O ZINC000566614983 483931745 /nfs/dbraw/zinc/93/17/45/483931745.db2.gz CHOZOIQYEFJZBN-ZDUSSCGKSA-N 0 3 355.464 -0.462 20 0 FBADHN COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H](CN)OC)CC2)c1 ZINC000566615170 485226381 /nfs/dbraw/zinc/22/63/81/485226381.db2.gz OFJPMPYYAVXLPA-HNNXBMFYSA-N 0 3 351.403 -0.038 20 0 FBADHN COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H](CN)OC)CC2)c1 ZINC000566615175 485226603 /nfs/dbraw/zinc/22/66/03/485226603.db2.gz OFJPMPYYAVXLPA-OAHLLOKOSA-N 0 3 351.403 -0.038 20 0 FBADHN CN(C(=O)C1(N)CCC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000566620925 485226395 /nfs/dbraw/zinc/22/63/95/485226395.db2.gz IPQINJDUASXQEG-UHFFFAOYSA-N 0 3 351.495 -0.435 20 0 FBADHN CN(C)C(=O)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC1 ZINC000566631608 485226584 /nfs/dbraw/zinc/22/65/84/485226584.db2.gz SBULXJWAPHSVOJ-CHWSQXEVSA-N 0 3 351.451 -0.412 20 0 FBADHN CN(C)C(=O)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC1 ZINC000566631609 485226502 /nfs/dbraw/zinc/22/65/02/485226502.db2.gz SBULXJWAPHSVOJ-OLZOCXBDSA-N 0 3 351.451 -0.412 20 0 FBADHN CN(C)C(=O)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1 ZINC000566631610 485226347 /nfs/dbraw/zinc/22/63/47/485226347.db2.gz SBULXJWAPHSVOJ-QWHCGFSZSA-N 0 3 351.451 -0.412 20 0 FBADHN CN(C)C(=O)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC1 ZINC000566631611 485226304 /nfs/dbraw/zinc/22/63/04/485226304.db2.gz SBULXJWAPHSVOJ-STQMWFEESA-N 0 3 351.451 -0.412 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C(=O)N1Cc2ccccc2C1 ZINC000566668529 485227313 /nfs/dbraw/zinc/22/73/13/485227313.db2.gz IHAIRBJWJGYFLM-BBRMVZONSA-N 0 3 373.457 -0.865 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)C(=O)N1Cc2ccccc2C1 ZINC000566668530 485227099 /nfs/dbraw/zinc/22/70/99/485227099.db2.gz IHAIRBJWJGYFLM-XJKSGUPXSA-N 0 3 373.457 -0.865 20 0 FBADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC000566676208 485227348 /nfs/dbraw/zinc/22/73/48/485227348.db2.gz SYTHHBCVCATKAR-CABCVRRESA-N 0 3 359.492 -0.020 20 0 FBADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000566676211 485227765 /nfs/dbraw/zinc/22/77/65/485227765.db2.gz SYTHHBCVCATKAR-GJZGRUSLSA-N 0 3 359.492 -0.020 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC000566676212 485227301 /nfs/dbraw/zinc/22/73/01/485227301.db2.gz SYTHHBCVCATKAR-HUUCEWRRSA-N 0 3 359.492 -0.020 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000566676213 485227255 /nfs/dbraw/zinc/22/72/55/485227255.db2.gz SYTHHBCVCATKAR-LSDHHAIUSA-N 0 3 359.492 -0.020 20 0 FBADHN CO[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)[C@@H](C[NH3+])C1 ZINC000566679440 485227129 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C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CCN1C ZINC000566932620 484017861 /nfs/dbraw/zinc/01/78/61/484017861.db2.gz NRJJTKDHZYWHAE-ZJUUUORDSA-N 0 3 350.341 -0.224 20 0 FBADHN Cn1cnnc1COCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000566934489 485235575 /nfs/dbraw/zinc/23/55/75/485235575.db2.gz YHJJVEIXGWCUNF-MRXNPFEDSA-N 0 3 359.430 -0.133 20 0 FBADHN CNC(=O)C(C)(C)CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000566935939 485235992 /nfs/dbraw/zinc/23/59/92/485235992.db2.gz MUAHVOQZZFZWFY-CYBMUJFWSA-N 0 3 356.467 -0.508 20 0 FBADHN CNC(=O)C(C)(C)CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000566935941 485236377 /nfs/dbraw/zinc/23/63/77/485236377.db2.gz MUAHVOQZZFZWFY-ZDUSSCGKSA-N 0 3 356.467 -0.508 20 0 FBADHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000566945249 484199017 /nfs/dbraw/zinc/19/90/17/484199017.db2.gz ZTRQBBGQLJMAEC-LBPRGKRZSA-N 0 3 352.439 -0.245 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000566946196 485237296 /nfs/dbraw/zinc/23/72/96/485237296.db2.gz XKEMWWAOTGPYSY-UHFFFAOYSA-N 0 3 364.512 -0.916 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)O1 ZINC000566946322 485236747 /nfs/dbraw/zinc/23/67/47/485236747.db2.gz YOCCAYPZTHTXKZ-MELADBBJSA-N 0 3 357.451 -0.084 20 0 FBADHN O=C1CNC(=O)N1CCNC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000566969022 485237476 /nfs/dbraw/zinc/23/74/76/485237476.db2.gz POOOOVNSUQJWDO-GFCCVEGCSA-N 0 3 361.358 -0.994 20 0 FBADHN O=C1CNC(=O)N1CCNC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000566969023 485237661 /nfs/dbraw/zinc/23/76/61/485237661.db2.gz POOOOVNSUQJWDO-LBPRGKRZSA-N 0 3 361.358 -0.994 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)cn3)CCN2C1=O ZINC000566984221 485237354 /nfs/dbraw/zinc/23/73/54/485237354.db2.gz FWDOXPZSZBOCOW-NXEZZACHSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)cn3)CCN2C1=O ZINC000566984222 485236839 /nfs/dbraw/zinc/23/68/39/485236839.db2.gz FWDOXPZSZBOCOW-UWVGGRQHSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)cn3)CCN2C1=O ZINC000566984223 485237486 /nfs/dbraw/zinc/23/74/86/485237486.db2.gz FWDOXPZSZBOCOW-VHSXEESVSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)cn3)CCN2C1=O ZINC000566984224 485237646 /nfs/dbraw/zinc/23/76/46/485237646.db2.gz FWDOXPZSZBOCOW-ZJUUUORDSA-N 0 3 371.319 -0.191 20 0 FBADHN CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1CCOCC1 ZINC000566984408 485236898 /nfs/dbraw/zinc/23/68/98/485236898.db2.gz IXDYFKROWGHKJP-ARFHVFGLSA-N 0 3 352.479 -0.106 20 0 FBADHN CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1CCOCC1 ZINC000566984409 485236949 /nfs/dbraw/zinc/23/69/49/485236949.db2.gz IXDYFKROWGHKJP-BZUAXINKSA-N 0 3 352.479 -0.106 20 0 FBADHN CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1CCOCC1 ZINC000566984410 485236997 /nfs/dbraw/zinc/23/69/97/485236997.db2.gz IXDYFKROWGHKJP-HRCADAONSA-N 0 3 352.479 -0.106 20 0 FBADHN CCC(CC)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1CCOCC1 ZINC000566984411 485237212 /nfs/dbraw/zinc/23/72/12/485237212.db2.gz IXDYFKROWGHKJP-OWCLPIDISA-N 0 3 352.479 -0.106 20 0 FBADHN CS(=O)(=O)c1cccc(OCCN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000566984436 485236670 /nfs/dbraw/zinc/23/66/70/485236670.db2.gz JRVDDUDVQMVRIT-DOMZBBRYSA-N 0 3 353.444 -0.287 20 0 FBADHN CS(=O)(=O)c1cccc(OCCN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000566984437 485237193 /nfs/dbraw/zinc/23/71/93/485237193.db2.gz JRVDDUDVQMVRIT-IUODEOHRSA-N 0 3 353.444 -0.287 20 0 FBADHN CS(=O)(=O)c1cccc(OCCN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566984438 485237389 /nfs/dbraw/zinc/23/73/89/485237389.db2.gz JRVDDUDVQMVRIT-SWLSCSKDSA-N 0 3 353.444 -0.287 20 0 FBADHN CS(=O)(=O)c1cccc(OCCN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000566984439 485236823 /nfs/dbraw/zinc/23/68/23/485236823.db2.gz JRVDDUDVQMVRIT-WFASDCNBSA-N 0 3 353.444 -0.287 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(OC(F)F)c3)CCN2C1=O ZINC000566984849 485237437 /nfs/dbraw/zinc/23/74/37/485237437.db2.gz VFZMAAGMPZJORK-CMPLNLGQSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(OC(F)F)c3)CCN2C1=O ZINC000566984850 485237412 /nfs/dbraw/zinc/23/74/12/485237412.db2.gz VFZMAAGMPZJORK-JQWIXIFHSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(OC(F)F)c3)CCN2C1=O ZINC000566984851 485236726 /nfs/dbraw/zinc/23/67/26/485236726.db2.gz VFZMAAGMPZJORK-PWSUYJOCSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(OC(F)F)c3)CCN2C1=O ZINC000566984852 485236684 /nfs/dbraw/zinc/23/66/84/485236684.db2.gz VFZMAAGMPZJORK-ZYHUDNBSSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000566984914 485237181 /nfs/dbraw/zinc/23/71/81/485237181.db2.gz WUEVUBMUTYAUQN-BPLDGKMQSA-N 0 3 360.389 -0.300 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000566984915 485237588 /nfs/dbraw/zinc/23/75/88/485237588.db2.gz WUEVUBMUTYAUQN-CFVMTHIKSA-N 0 3 360.389 -0.300 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000566984916 485236691 /nfs/dbraw/zinc/23/66/91/485236691.db2.gz WUEVUBMUTYAUQN-NWANDNLSSA-N 0 3 360.389 -0.300 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000566984917 485236879 /nfs/dbraw/zinc/23/68/79/485236879.db2.gz WUEVUBMUTYAUQN-YUELXQCFSA-N 0 3 360.389 -0.300 20 0 FBADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566984960 485237989 /nfs/dbraw/zinc/23/79/89/485237989.db2.gz YACAPFGWFZEGQK-IHRRRGAJSA-N 0 3 352.435 -0.826 20 0 FBADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566984961 485238570 /nfs/dbraw/zinc/23/85/70/485238570.db2.gz YACAPFGWFZEGQK-MCIONIFRSA-N 0 3 352.435 -0.826 20 0 FBADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566984962 485238069 /nfs/dbraw/zinc/23/80/69/485238069.db2.gz YACAPFGWFZEGQK-MJBXVCDLSA-N 0 3 352.435 -0.826 20 0 FBADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566984963 485238146 /nfs/dbraw/zinc/23/81/46/485238146.db2.gz YACAPFGWFZEGQK-RDBSUJKOSA-N 0 3 352.435 -0.826 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000566990806 485238451 /nfs/dbraw/zinc/23/84/51/485238451.db2.gz AEKWNFVKFAPQEW-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCN1CCOCC1(C)C)C1=CCN(C)CC1 ZINC000567026389 485238985 /nfs/dbraw/zinc/23/89/85/485238985.db2.gz AKLANECBLZPZNJ-AWEZNQCLSA-N 0 3 352.479 -0.020 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCN1CCOCC1(C)C)C1=CCN(C)CC1 ZINC000567026390 485239457 /nfs/dbraw/zinc/23/94/57/485239457.db2.gz AKLANECBLZPZNJ-CQSZACIVSA-N 0 3 352.479 -0.020 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)[C@@H](CN)C1 ZINC000567031535 485239266 /nfs/dbraw/zinc/23/92/66/485239266.db2.gz JCMDKOJWFGFBNW-HNNXBMFYSA-N 0 3 356.430 -0.410 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)[C@H](CN)C1 ZINC000567031536 485239415 /nfs/dbraw/zinc/23/94/15/485239415.db2.gz JCMDKOJWFGFBNW-OAHLLOKOSA-N 0 3 356.430 -0.410 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000567034575 485239388 /nfs/dbraw/zinc/23/93/88/485239388.db2.gz IZJUMBCQMMBRJE-KBPBESRZSA-N 0 3 356.467 -0.556 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000567034576 485239428 /nfs/dbraw/zinc/23/94/28/485239428.db2.gz IZJUMBCQMMBRJE-KGLIPLIRSA-N 0 3 356.467 -0.556 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000567034577 485239318 /nfs/dbraw/zinc/23/93/18/485239318.db2.gz IZJUMBCQMMBRJE-UONOGXRCSA-N 0 3 356.467 -0.556 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000567034578 485239422 /nfs/dbraw/zinc/23/94/22/485239422.db2.gz IZJUMBCQMMBRJE-ZIAGYGMSSA-N 0 3 356.467 -0.556 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000567042306 485239734 /nfs/dbraw/zinc/23/97/34/485239734.db2.gz KTJILRKKKJGDDK-HZSPNIEDSA-N 0 3 369.466 -0.787 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000567042307 485239677 /nfs/dbraw/zinc/23/96/77/485239677.db2.gz KTJILRKKKJGDDK-MCIONIFRSA-N 0 3 369.466 -0.787 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000567042308 485239166 /nfs/dbraw/zinc/23/91/66/485239166.db2.gz KTJILRKKKJGDDK-MGPQQGTHSA-N 0 3 369.466 -0.787 20 0 FBADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000567042309 485239014 /nfs/dbraw/zinc/23/90/14/485239014.db2.gz KTJILRKKKJGDDK-RDBSUJKOSA-N 0 3 369.466 -0.787 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000567047333 485240406 /nfs/dbraw/zinc/24/04/06/485240406.db2.gz ZEAAMHBQQWUTHA-AWEZNQCLSA-N 0 3 363.443 -0.187 20 0 FBADHN N[C@H](CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)Cc1ccccc1 ZINC000567047748 485240398 /nfs/dbraw/zinc/24/03/98/485240398.db2.gz WMYJPRVYHOYPQB-HNNXBMFYSA-N 0 3 366.487 -0.608 20 0 FBADHN N[C@@H](CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)Cc1ccccc1 ZINC000567047749 485240418 /nfs/dbraw/zinc/24/04/18/485240418.db2.gz WMYJPRVYHOYPQB-OAHLLOKOSA-N 0 3 366.487 -0.608 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000567048596 485240708 /nfs/dbraw/zinc/24/07/08/485240708.db2.gz ISJVPFGJCNZMNM-BDAKNGLRSA-N 0 3 362.477 -0.486 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])s1 ZINC000567048597 485240292 /nfs/dbraw/zinc/24/02/92/485240292.db2.gz ISJVPFGJCNZMNM-DTWKUNHWSA-N 0 3 362.477 -0.486 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000567048598 485240772 /nfs/dbraw/zinc/24/07/72/485240772.db2.gz ISJVPFGJCNZMNM-IUCAKERBSA-N 0 3 362.477 -0.486 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000567048599 485240376 /nfs/dbraw/zinc/24/03/76/485240376.db2.gz ISJVPFGJCNZMNM-RKDXNWHRSA-N 0 3 362.477 -0.486 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCC(CC[NH3+])CC3)cc2c(=O)[n-]c1=O ZINC000567054991 485240559 /nfs/dbraw/zinc/24/05/59/485240559.db2.gz INFWGDYENXPMOW-UHFFFAOYSA-N 0 3 367.431 -0.216 20 0 FBADHN COC(=O)c1ccsc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567062638 485240606 /nfs/dbraw/zinc/24/06/06/485240606.db2.gz CXAXBVMILUPILN-PSASIEDQSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1ccsc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567062639 485240096 /nfs/dbraw/zinc/24/00/96/485240096.db2.gz CXAXBVMILUPILN-SCZZXKLOSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1ccsc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567062640 485240499 /nfs/dbraw/zinc/24/04/99/485240499.db2.gz CXAXBVMILUPILN-WCBMZHEXSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1ccsc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567062641 485240544 /nfs/dbraw/zinc/24/05/44/485240544.db2.gz CXAXBVMILUPILN-WPRPVWTQSA-N 0 3 366.399 -0.756 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000567063395 485240472 /nfs/dbraw/zinc/24/04/72/485240472.db2.gz XCOINKCGYZMPDU-BFHYXJOUSA-N 0 3 372.425 -0.039 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000567063396 485240357 /nfs/dbraw/zinc/24/03/57/485240357.db2.gz XCOINKCGYZMPDU-IHRRRGAJSA-N 0 3 372.425 -0.039 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000567063397 485240848 /nfs/dbraw/zinc/24/08/48/485240848.db2.gz XCOINKCGYZMPDU-MELADBBJSA-N 0 3 372.425 -0.039 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000567063398 485240889 /nfs/dbraw/zinc/24/08/89/485240889.db2.gz XCOINKCGYZMPDU-MJBXVCDLSA-N 0 3 372.425 -0.039 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC000567065954 485240444 /nfs/dbraw/zinc/24/04/44/485240444.db2.gz TZYUHJWIEKKMGH-UHFFFAOYSA-N 0 3 356.467 -0.412 20 0 FBADHN CCNc1nc(NCCCN2CCNC(=O)C2)nc(NC(C)(C)C)n1 ZINC000567070952 485240711 /nfs/dbraw/zinc/24/07/11/485240711.db2.gz PUGSLMUVDYXMQT-UHFFFAOYSA-N 0 3 350.471 -0.409 20 0 FBADHN COc1cc(CN2CC[C@@H](NC(=O)C(=O)NC3CNC3)C2)cc(OC)c1 ZINC000567097006 485241824 /nfs/dbraw/zinc/24/18/24/485241824.db2.gz KROJVDVTVOEJPJ-CYBMUJFWSA-N 0 3 362.430 -0.518 20 0 FBADHN COc1cc(CN2CC[C@H](NC(=O)C(=O)NC3CNC3)C2)cc(OC)c1 ZINC000567097007 485242067 /nfs/dbraw/zinc/24/20/67/485242067.db2.gz KROJVDVTVOEJPJ-ZDUSSCGKSA-N 0 3 362.430 -0.518 20 0 FBADHN CN1CCN(C(=O)NCCn2cc(Br)ccc2=O)[C@H](CN)C1 ZINC000567097115 485241686 /nfs/dbraw/zinc/24/16/86/485241686.db2.gz YNZQMGSRGWNWJW-GFCCVEGCSA-N 0 3 372.267 -0.105 20 0 FBADHN CN1CCN(C(=O)NCCn2cc(Br)ccc2=O)[C@@H](CN)C1 ZINC000567097116 485242250 /nfs/dbraw/zinc/24/22/50/485242250.db2.gz YNZQMGSRGWNWJW-LBPRGKRZSA-N 0 3 372.267 -0.105 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOCC(F)(F)C(F)F)[C@H](CN)C1 ZINC000567097441 485241884 /nfs/dbraw/zinc/24/18/84/485241884.db2.gz GPFSSENFULFGDA-SECBINFHSA-N 0 3 358.336 -0.879 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOCC(F)(F)C(F)F)[C@@H](CN)C1 ZINC000567097442 485242278 /nfs/dbraw/zinc/24/22/78/485242278.db2.gz GPFSSENFULFGDA-VIFPVBQESA-N 0 3 358.336 -0.879 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCNC(=O)CC2CCCCC2)[C@@H](CN)C1 ZINC000567097524 485241260 /nfs/dbraw/zinc/24/12/60/485241260.db2.gz XIJYIUVXHKJSAR-HNNXBMFYSA-N 0 3 367.494 -0.710 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCNC(=O)CC2CCCCC2)[C@H](CN)C1 ZINC000567097525 485242119 /nfs/dbraw/zinc/24/21/19/485242119.db2.gz XIJYIUVXHKJSAR-OAHLLOKOSA-N 0 3 367.494 -0.710 20 0 FBADHN Cn1c(N)c(C(=O)CN2CCNC[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000567097902 485242104 /nfs/dbraw/zinc/24/21/04/485242104.db2.gz YYDCJRDAUNGLHP-CYBMUJFWSA-N 0 3 357.414 -0.505 20 0 FBADHN Cn1c(N)c(C(=O)CN2CCNC[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000567097903 485242087 /nfs/dbraw/zinc/24/20/87/485242087.db2.gz YYDCJRDAUNGLHP-ZDUSSCGKSA-N 0 3 357.414 -0.505 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000567099245 485241335 /nfs/dbraw/zinc/24/13/35/485241335.db2.gz VBBDDJGETJOQTE-GDBMZVCRSA-N 0 3 352.479 -0.020 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000567099246 485241858 /nfs/dbraw/zinc/24/18/58/485241858.db2.gz VBBDDJGETJOQTE-GOEBONIOSA-N 0 3 352.479 -0.020 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000567099247 485241750 /nfs/dbraw/zinc/24/17/50/485241750.db2.gz VBBDDJGETJOQTE-HOCLYGCPSA-N 0 3 352.479 -0.020 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000567099248 485241455 /nfs/dbraw/zinc/24/14/55/485241455.db2.gz VBBDDJGETJOQTE-ZBFHGGJFSA-N 0 3 352.479 -0.020 20 0 FBADHN C[C@@]1(c2cccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2)NC(=O)[N-]C1=O ZINC000567108319 485241532 /nfs/dbraw/zinc/24/15/32/485241532.db2.gz HHDLADHVQHPDPD-BEFAXECRSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@]1(c2cccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2)NC(=O)[N-]C1=O ZINC000567108320 485241509 /nfs/dbraw/zinc/24/15/09/485241509.db2.gz HHDLADHVQHPDPD-DNVCBOLYSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@]1(c2cccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2)NC(=O)[N-]C1=O ZINC000567108321 485242042 /nfs/dbraw/zinc/24/20/42/485242042.db2.gz HHDLADHVQHPDPD-HNAYVOBHSA-N 0 3 371.441 -0.139 20 0 FBADHN C[C@@]1(c2cccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2)NC(=O)[N-]C1=O ZINC000567108322 485242034 /nfs/dbraw/zinc/24/20/34/485242034.db2.gz HHDLADHVQHPDPD-KXBFYZLASA-N 0 3 371.441 -0.139 20 0 FBADHN CN1CCN(CCNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1(C)C ZINC000567115084 485241588 /nfs/dbraw/zinc/24/15/88/485241588.db2.gz JXRRBXUTTGLLSQ-CYBMUJFWSA-N 0 3 361.512 -0.655 20 0 FBADHN CN1CCN(CCNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1(C)C ZINC000567115085 485241573 /nfs/dbraw/zinc/24/15/73/485241573.db2.gz JXRRBXUTTGLLSQ-ZDUSSCGKSA-N 0 3 361.512 -0.655 20 0 FBADHN O=C(NCc1cc(Br)c2c(c1)OCCO2)C(=O)NC1CNC1 ZINC000567149749 485243205 /nfs/dbraw/zinc/24/32/05/485243205.db2.gz KPBSADJFBWIABZ-UHFFFAOYSA-N 0 3 370.203 -0.076 20 0 FBADHN CS(=O)(=O)c1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cs1 ZINC000567165135 485242886 /nfs/dbraw/zinc/24/28/86/485242886.db2.gz OTLGRYNDCFLQMN-UHFFFAOYSA-N 0 3 356.433 -0.068 20 0 FBADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567169836 485244287 /nfs/dbraw/zinc/24/42/87/485244287.db2.gz BOUBHPHEMHHGKV-AWEZNQCLSA-N 0 3 356.430 -0.216 20 0 FBADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567169837 485243820 /nfs/dbraw/zinc/24/38/20/485243820.db2.gz BOUBHPHEMHHGKV-CQSZACIVSA-N 0 3 356.430 -0.216 20 0 FBADHN COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567180636 485244455 /nfs/dbraw/zinc/24/44/55/485244455.db2.gz PESASHNUJOTXNT-CMPLNLGQSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567180637 485244323 /nfs/dbraw/zinc/24/43/23/485244323.db2.gz PESASHNUJOTXNT-JQWIXIFHSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567180638 485243691 /nfs/dbraw/zinc/24/36/91/485243691.db2.gz PESASHNUJOTXNT-PWSUYJOCSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567180639 485244163 /nfs/dbraw/zinc/24/41/63/485244163.db2.gz PESASHNUJOTXNT-ZYHUDNBSSA-N 0 3 371.390 -0.455 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]3OC(F)F)CCN2C1=O ZINC000567180843 485244147 /nfs/dbraw/zinc/24/41/47/485244147.db2.gz VVPKTJXKSKAKIR-GWOFURMSSA-N 0 3 360.361 -0.967 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]3OC(F)F)CCN2C1=O ZINC000567180844 485243878 /nfs/dbraw/zinc/24/38/78/485243878.db2.gz VVPKTJXKSKAKIR-LMLFDSFASA-N 0 3 360.361 -0.967 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]3OC(F)F)CCN2C1=O ZINC000567180845 485244251 /nfs/dbraw/zinc/24/42/51/485244251.db2.gz VVPKTJXKSKAKIR-LNFKQOIKSA-N 0 3 360.361 -0.967 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]3OC(F)F)CCN2C1=O ZINC000567180846 485244234 /nfs/dbraw/zinc/24/42/34/485244234.db2.gz VVPKTJXKSKAKIR-UKKRHICBSA-N 0 3 360.361 -0.967 20 0 FBADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000567202513 485245722 /nfs/dbraw/zinc/24/57/22/485245722.db2.gz RRRXOCIQDQDQNX-GFCCVEGCSA-N 0 3 356.514 -0.873 20 0 FBADHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000567204178 485244783 /nfs/dbraw/zinc/24/47/83/485244783.db2.gz ZTWZKGHZYCCOPF-LBPRGKRZSA-N 0 3 364.450 -0.055 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)N3CCS(=O)(=O)CC3)C2)CC1 ZINC000567211233 485245620 /nfs/dbraw/zinc/24/56/20/485245620.db2.gz SBHVFCRBIILJFV-HNNXBMFYSA-N 0 3 358.508 -0.063 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)N3CCS(=O)(=O)CC3)C2)CC1 ZINC000567211234 485245740 /nfs/dbraw/zinc/24/57/40/485245740.db2.gz SBHVFCRBIILJFV-OAHLLOKOSA-N 0 3 358.508 -0.063 20 0 FBADHN CN1CCN(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)[C@H](CN)C1 ZINC000567222352 485245767 /nfs/dbraw/zinc/24/57/67/485245767.db2.gz MEYXVVNYEZKKJH-CYBMUJFWSA-N 0 3 370.475 -0.247 20 0 FBADHN CN1CCN(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)[C@@H](CN)C1 ZINC000567222353 485245575 /nfs/dbraw/zinc/24/55/75/485245575.db2.gz MEYXVVNYEZKKJH-ZDUSSCGKSA-N 0 3 370.475 -0.247 20 0 FBADHN Cc1cc(N2CC[C@H](NC[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2=O)n(C)n1 ZINC000567228428 485245798 /nfs/dbraw/zinc/24/57/98/485245798.db2.gz UIUJOFCJTWVDCJ-FZKCQIBNSA-N 0 3 365.478 -0.106 20 0 FBADHN Cc1cc(N2CC[C@H](NC[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2=O)n(C)n1 ZINC000567228429 485245681 /nfs/dbraw/zinc/24/56/81/485245681.db2.gz UIUJOFCJTWVDCJ-QXSJWSMHSA-N 0 3 365.478 -0.106 20 0 FBADHN Cc1cc(N2CC[C@H](NC[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)C2=O)n(C)n1 ZINC000567228430 485245108 /nfs/dbraw/zinc/24/51/08/485245108.db2.gz UIUJOFCJTWVDCJ-VGWMRTNUSA-N 0 3 365.478 -0.106 20 0 FBADHN Cc1cc(N2CC[C@H](NC[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2=O)n(C)n1 ZINC000567228431 485245402 /nfs/dbraw/zinc/24/54/02/485245402.db2.gz UIUJOFCJTWVDCJ-WCVJEAGWSA-N 0 3 365.478 -0.106 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000567232432 485244875 /nfs/dbraw/zinc/24/48/75/485244875.db2.gz WMAJRPPSPXYLMN-HNNXBMFYSA-N 0 3 352.460 -0.694 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000567232433 485245534 /nfs/dbraw/zinc/24/55/34/485245534.db2.gz WMAJRPPSPXYLMN-OAHLLOKOSA-N 0 3 352.460 -0.694 20 0 FBADHN COCCS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000567233025 485245777 /nfs/dbraw/zinc/24/57/77/485245777.db2.gz VZIDCFTYTRXAQR-AWEZNQCLSA-N 0 3 355.460 -0.178 20 0 FBADHN COCCS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000567233026 485245214 /nfs/dbraw/zinc/24/52/14/485245214.db2.gz VZIDCFTYTRXAQR-CQSZACIVSA-N 0 3 355.460 -0.178 20 0 FBADHN CN(C)C1(CNC(=O)CN(C)S(=O)(=O)N(C)C)Cc2ccccc2C1 ZINC000567240362 485246895 /nfs/dbraw/zinc/24/68/95/485246895.db2.gz QZZIBSMGDDJNIP-UHFFFAOYSA-N 0 3 368.503 -0.060 20 0 FBADHN CSC[C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000567240436 485246489 /nfs/dbraw/zinc/24/64/89/485246489.db2.gz UZECRUMQQYMYSA-CHWSQXEVSA-N 0 3 358.508 -0.087 20 0 FBADHN CSC[C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000567240437 485246242 /nfs/dbraw/zinc/24/62/42/485246242.db2.gz UZECRUMQQYMYSA-OLZOCXBDSA-N 0 3 358.508 -0.087 20 0 FBADHN CSC[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000567240438 485246642 /nfs/dbraw/zinc/24/66/42/485246642.db2.gz UZECRUMQQYMYSA-QWHCGFSZSA-N 0 3 358.508 -0.087 20 0 FBADHN CSC[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000567240439 485246957 /nfs/dbraw/zinc/24/69/57/485246957.db2.gz UZECRUMQQYMYSA-STQMWFEESA-N 0 3 358.508 -0.087 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)NC[C@]1(O)CN2CCC1CC2 ZINC000567247644 485246446 /nfs/dbraw/zinc/24/64/46/485246446.db2.gz MXDAOJAPHJAJMX-INIZCTEOSA-N 0 3 371.434 -0.323 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)NC[C@@]1(O)CN2CCC1CC2 ZINC000567247645 485246291 /nfs/dbraw/zinc/24/62/91/485246291.db2.gz MXDAOJAPHJAJMX-MRXNPFEDSA-N 0 3 371.434 -0.323 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2nnc(-c3ccccc3)s2)[C@H](CN)C1 ZINC000567249974 485246929 /nfs/dbraw/zinc/24/69/29/485246929.db2.gz AIDDKILKWVWSHQ-CYBMUJFWSA-N 0 3 374.470 -0.077 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2nnc(-c3ccccc3)s2)[C@@H](CN)C1 ZINC000567249975 485246872 /nfs/dbraw/zinc/24/68/72/485246872.db2.gz AIDDKILKWVWSHQ-ZDUSSCGKSA-N 0 3 374.470 -0.077 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccccc3N3CCCC3=O)CCN2C1=O ZINC000567250478 485246815 /nfs/dbraw/zinc/24/68/15/485246815.db2.gz LZFPFGFRSINVQF-KBPBESRZSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccccc3N3CCCC3=O)CCN2C1=O ZINC000567250479 485246711 /nfs/dbraw/zinc/24/67/11/485246711.db2.gz LZFPFGFRSINVQF-KGLIPLIRSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccccc3N3CCCC3=O)CCN2C1=O ZINC000567250480 485246907 /nfs/dbraw/zinc/24/69/07/485246907.db2.gz LZFPFGFRSINVQF-UONOGXRCSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccccc3N3CCCC3=O)CCN2C1=O ZINC000567250481 485246664 /nfs/dbraw/zinc/24/66/64/485246664.db2.gz LZFPFGFRSINVQF-ZIAGYGMSSA-N 0 3 371.441 -0.004 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ncccc2Cl)[C@H](CN)C1 ZINC000567251024 485246846 /nfs/dbraw/zinc/24/68/46/485246846.db2.gz IGBDAOQHIUHGGZ-LLVKDONJSA-N 0 3 355.826 -0.669 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ncccc2Cl)[C@@H](CN)C1 ZINC000567251025 485246591 /nfs/dbraw/zinc/24/65/91/485246591.db2.gz IGBDAOQHIUHGGZ-NSHDSACASA-N 0 3 355.826 -0.669 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000567252715 485246201 /nfs/dbraw/zinc/24/62/01/485246201.db2.gz XEGNUAVXRIHONZ-LLVKDONJSA-N 0 3 356.448 -0.609 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000567252716 485246260 /nfs/dbraw/zinc/24/62/60/485246260.db2.gz XEGNUAVXRIHONZ-NSHDSACASA-N 0 3 356.448 -0.609 20 0 FBADHN CCC(=O)N1CCCN(C(=O)C(=O)NCCCN(C)CCOC)CC1 ZINC000567256695 485246754 /nfs/dbraw/zinc/24/67/54/485246754.db2.gz VZWZWCKBBWMJIH-UHFFFAOYSA-N 0 3 356.467 -0.458 20 0 FBADHN C[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)NCCN(C)C ZINC000567258199 485246921 /nfs/dbraw/zinc/24/69/21/485246921.db2.gz UZBDOCOXNFMTAD-BFHYXJOUSA-N 0 3 366.462 -0.266 20 0 FBADHN C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000567258200 485246517 /nfs/dbraw/zinc/24/65/17/485246517.db2.gz UZBDOCOXNFMTAD-IHRRRGAJSA-N 0 3 366.462 -0.266 20 0 FBADHN C[C@@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000567258201 485246195 /nfs/dbraw/zinc/24/61/95/485246195.db2.gz UZBDOCOXNFMTAD-MCIONIFRSA-N 0 3 366.462 -0.266 20 0 FBADHN C[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000567258202 485246235 /nfs/dbraw/zinc/24/62/35/485246235.db2.gz UZBDOCOXNFMTAD-MELADBBJSA-N 0 3 366.462 -0.266 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCN(c3ccccc3)C2=O)n1 ZINC000567259492 485246369 /nfs/dbraw/zinc/24/63/69/485246369.db2.gz ULQYIHLGTLUYKA-AWEZNQCLSA-N 0 3 371.445 -0.421 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCN(c3ccccc3)C2=O)n1 ZINC000567259493 485248130 /nfs/dbraw/zinc/24/81/30/485248130.db2.gz ULQYIHLGTLUYKA-CQSZACIVSA-N 0 3 371.445 -0.421 20 0 FBADHN COC(=O)CCC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000567260382 485247443 /nfs/dbraw/zinc/24/74/43/485247443.db2.gz RPDILMYJQNZKFW-AWEZNQCLSA-N 0 3 354.451 -0.721 20 0 FBADHN COC(=O)CCC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000567260383 485247949 /nfs/dbraw/zinc/24/79/49/485247949.db2.gz RPDILMYJQNZKFW-CQSZACIVSA-N 0 3 354.451 -0.721 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)[C@@H]2C1 ZINC000567263166 485247602 /nfs/dbraw/zinc/24/76/02/485247602.db2.gz VPLWCMFBIAXZOW-JSQNDZKTSA-N 0 3 361.446 -0.129 20 0 FBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)C3CCC3)CC2)o1 ZINC000567264850 485247866 /nfs/dbraw/zinc/24/78/66/485247866.db2.gz PTOHBKUXZONTJZ-CYBMUJFWSA-N 0 3 370.431 -0.661 20 0 FBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C3CCC3)CC2)o1 ZINC000567264851 485247291 /nfs/dbraw/zinc/24/72/91/485247291.db2.gz PTOHBKUXZONTJZ-ZDUSSCGKSA-N 0 3 370.431 -0.661 20 0 FBADHN O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567266657 485247214 /nfs/dbraw/zinc/24/72/14/485247214.db2.gz DHXWKHGALDFDDD-UHFFFAOYSA-N 0 3 356.452 -0.100 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2ccccc2O1 ZINC000567292018 485249196 /nfs/dbraw/zinc/24/91/96/485249196.db2.gz BZXOYFHZXGJFAO-AGIUHOORSA-N 0 3 358.398 -0.429 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2ccccc2O1 ZINC000567292019 485249055 /nfs/dbraw/zinc/24/90/55/485249055.db2.gz BZXOYFHZXGJFAO-FRRDWIJNSA-N 0 3 358.398 -0.429 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2ccccc2O1 ZINC000567292020 485249302 /nfs/dbraw/zinc/24/93/02/485249302.db2.gz BZXOYFHZXGJFAO-JHJVBQTASA-N 0 3 358.398 -0.429 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2ccccc2O1 ZINC000567292021 485249152 /nfs/dbraw/zinc/24/91/52/485249152.db2.gz BZXOYFHZXGJFAO-UPJWGTAASA-N 0 3 358.398 -0.429 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)NCCOCCN(C)C)CC2)n1 ZINC000567304213 485248754 /nfs/dbraw/zinc/24/87/54/485248754.db2.gz RJKHHMIWLQBOBH-UHFFFAOYSA-N 0 3 364.450 -0.872 20 0 FBADHN CCO[C@@H]1COC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000567326687 485249869 /nfs/dbraw/zinc/24/98/69/485249869.db2.gz MPRAIVAQGKHEQV-HUUCEWRRSA-N 0 3 354.451 -0.260 20 0 FBADHN CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000567343971 485249977 /nfs/dbraw/zinc/24/99/77/485249977.db2.gz KEUZQDCOCDZIPI-KBXCAEBGSA-N 0 3 368.478 -0.349 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC(CO)(c3ccccc3)CC2)[C@@H](CN)C1 ZINC000567344206 485249615 /nfs/dbraw/zinc/24/96/15/485249615.db2.gz CVAKIQKZTAJSFW-KRWDZBQOSA-N 0 3 374.485 -0.360 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC(CO)(c3ccccc3)CC2)[C@H](CN)C1 ZINC000567344207 485249761 /nfs/dbraw/zinc/24/97/61/485249761.db2.gz CVAKIQKZTAJSFW-QGZVFWFLSA-N 0 3 374.485 -0.360 20 0 FBADHN CN1CCN(C[C@@H](O)CNCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000567345809 485250113 /nfs/dbraw/zinc/25/01/13/485250113.db2.gz UYQBDQAWCCMPLC-HNNXBMFYSA-N 0 3 359.467 -0.203 20 0 FBADHN CN1CCN(C[C@H](O)CNCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000567345810 485250253 /nfs/dbraw/zinc/25/02/53/485250253.db2.gz UYQBDQAWCCMPLC-OAHLLOKOSA-N 0 3 359.467 -0.203 20 0 FBADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)C(C)(C)N3CCNCC3)CCO2)n1 ZINC000567349918 485249905 /nfs/dbraw/zinc/24/99/05/485249905.db2.gz HCXZIILPUCPABI-HNNXBMFYSA-N 0 3 350.467 -0.194 20 0 FBADHN Cc1nc(C)n(C[C@H]2CN(C(=O)C(C)(C)N3CCNCC3)CCO2)n1 ZINC000567349919 485249922 /nfs/dbraw/zinc/24/99/22/485249922.db2.gz HCXZIILPUCPABI-OAHLLOKOSA-N 0 3 350.467 -0.194 20 0 FBADHN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567350837 485250224 /nfs/dbraw/zinc/25/02/24/485250224.db2.gz AEBUKVBTUSDWHW-UHFFFAOYSA-N 0 3 355.358 -0.551 20 0 FBADHN N[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1c1ccccc1F ZINC000567355516 485249964 /nfs/dbraw/zinc/24/99/64/485249964.db2.gz BZGGBPZHSSFLAZ-DZGCQCFKSA-N 0 3 355.435 -0.191 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000567359556 485251157 /nfs/dbraw/zinc/25/11/57/485251157.db2.gz ZRNQPYNFSCTDKE-CYBMUJFWSA-N 0 3 360.480 -0.873 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000567359557 485250650 /nfs/dbraw/zinc/25/06/50/485250650.db2.gz ZRNQPYNFSCTDKE-ZDUSSCGKSA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCCO1 ZINC000567362327 485251475 /nfs/dbraw/zinc/25/14/75/485251475.db2.gz KTGGRISXJGXFGJ-AWEZNQCLSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCCO1 ZINC000567362328 485250737 /nfs/dbraw/zinc/25/07/37/485250737.db2.gz KTGGRISXJGXFGJ-CQSZACIVSA-N 0 3 368.478 -0.317 20 0 FBADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000567363346 485251070 /nfs/dbraw/zinc/25/10/70/485251070.db2.gz BXSOOTGBVCOLLQ-KBPBESRZSA-N 0 3 353.444 -0.028 20 0 FBADHN CC1(C)[C@H](NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1O ZINC000567363347 485251205 /nfs/dbraw/zinc/25/12/05/485251205.db2.gz BXSOOTGBVCOLLQ-KGLIPLIRSA-N 0 3 353.444 -0.028 20 0 FBADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000567363348 485251025 /nfs/dbraw/zinc/25/10/25/485251025.db2.gz BXSOOTGBVCOLLQ-UONOGXRCSA-N 0 3 353.444 -0.028 20 0 FBADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000567363349 485251168 /nfs/dbraw/zinc/25/11/68/485251168.db2.gz BXSOOTGBVCOLLQ-ZIAGYGMSSA-N 0 3 353.444 -0.028 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000567364268 485250662 /nfs/dbraw/zinc/25/06/62/485250662.db2.gz ZZOGYCUTPULCAD-UHFFFAOYSA-N 0 3 355.398 -0.460 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)Cn3ccnc3)C2)CC1 ZINC000567365200 485250680 /nfs/dbraw/zinc/25/06/80/485250680.db2.gz PGOOBIQTXVWXQI-CVEARBPZSA-N 0 3 362.478 -0.374 20 0 FBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)Cn3ccnc3)C2)CC1 ZINC000567365201 485251130 /nfs/dbraw/zinc/25/11/30/485251130.db2.gz PGOOBIQTXVWXQI-HOTGVXAUSA-N 0 3 362.478 -0.374 20 0 FBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)Cn3ccnc3)C2)CC1 ZINC000567365202 485250691 /nfs/dbraw/zinc/25/06/91/485250691.db2.gz PGOOBIQTXVWXQI-HZPDHXFCSA-N 0 3 362.478 -0.374 20 0 FBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)Cn3ccnc3)C2)CC1 ZINC000567365203 485250859 /nfs/dbraw/zinc/25/08/59/485250859.db2.gz PGOOBIQTXVWXQI-JKSUJKDBSA-N 0 3 362.478 -0.374 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000567368340 485251381 /nfs/dbraw/zinc/25/13/81/485251381.db2.gz SXDTYLHDKGONDL-CHWSQXEVSA-N 0 3 350.806 -0.160 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000567368341 485251587 /nfs/dbraw/zinc/25/15/87/485251587.db2.gz SXDTYLHDKGONDL-OLZOCXBDSA-N 0 3 350.806 -0.160 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000567368342 485250901 /nfs/dbraw/zinc/25/09/01/485250901.db2.gz SXDTYLHDKGONDL-QWHCGFSZSA-N 0 3 350.806 -0.160 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000567368343 485250908 /nfs/dbraw/zinc/25/09/08/485250908.db2.gz SXDTYLHDKGONDL-STQMWFEESA-N 0 3 350.806 -0.160 20 0 FBADHN O=C(NCCNC(=O)c1cnccn1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000567376600 485251105 /nfs/dbraw/zinc/25/11/05/485251105.db2.gz MELOGVRQYAJKJA-AWEZNQCLSA-N 0 3 374.445 -0.591 20 0 FBADHN O=C(NCCNC(=O)c1cnccn1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000567376601 485251438 /nfs/dbraw/zinc/25/14/38/485251438.db2.gz MELOGVRQYAJKJA-CQSZACIVSA-N 0 3 374.445 -0.591 20 0 FBADHN Cn1ccc(=O)n(CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1=O ZINC000567382903 485250874 /nfs/dbraw/zinc/25/08/74/485250874.db2.gz DBQWPMSXNNEVMF-RVZJWNSFSA-N 0 3 364.446 -0.414 20 0 FBADHN Cn1ccc(=O)n(CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1=O ZINC000567382904 485252738 /nfs/dbraw/zinc/25/27/38/485252738.db2.gz DBQWPMSXNNEVMF-UVBSCNOISA-N 0 3 364.446 -0.414 20 0 FBADHN Cn1ccc(=O)n(CCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1=O ZINC000567382905 485251835 /nfs/dbraw/zinc/25/18/35/485251835.db2.gz DBQWPMSXNNEVMF-WPKBUWHJSA-N 0 3 364.446 -0.414 20 0 FBADHN Cn1ccc(=O)n(CCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1=O ZINC000567382906 485252511 /nfs/dbraw/zinc/25/25/11/485252511.db2.gz DBQWPMSXNNEVMF-XAYKYTGQSA-N 0 3 364.446 -0.414 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000567399320 485251857 /nfs/dbraw/zinc/25/18/57/485251857.db2.gz VTXFUPMARUHQDE-GFCCVEGCSA-N 0 3 354.451 -0.661 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000567399321 485252095 /nfs/dbraw/zinc/25/20/95/485252095.db2.gz VTXFUPMARUHQDE-LBPRGKRZSA-N 0 3 354.451 -0.661 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cc4ccccc4o3)CCN2C1=O ZINC000567408946 485253779 /nfs/dbraw/zinc/25/37/79/485253779.db2.gz KBFVRDVEBDZRIJ-DZGCQCFKSA-N 0 3 370.409 -0.138 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc4ccccc4o3)CCN2C1=O ZINC000567408947 485253526 /nfs/dbraw/zinc/25/35/26/485253526.db2.gz KBFVRDVEBDZRIJ-HIFRSBDPSA-N 0 3 370.409 -0.138 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc4ccccc4o3)CCN2C1=O ZINC000567408948 485253963 /nfs/dbraw/zinc/25/39/63/485253963.db2.gz KBFVRDVEBDZRIJ-UKRRQHHQSA-N 0 3 370.409 -0.138 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cc4ccccc4o3)CCN2C1=O ZINC000567408949 485253407 /nfs/dbraw/zinc/25/34/07/485253407.db2.gz KBFVRDVEBDZRIJ-ZFWWWQNUSA-N 0 3 370.409 -0.138 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@H](n3cc(CO)nn3)C2)C[C@H](C)O1 ZINC000567412017 485253510 /nfs/dbraw/zinc/25/35/10/485253510.db2.gz RQBIIBQETXDPRQ-HDEZJCGLSA-N 0 3 353.467 -0.123 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H](n3cc(CO)nn3)C2)C[C@@H](C)O1 ZINC000567412018 485253400 /nfs/dbraw/zinc/25/34/00/485253400.db2.gz RQBIIBQETXDPRQ-MUIFIZLQSA-N 0 3 353.467 -0.123 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@H](n3cc(CO)nn3)C2)C[C@@H](C)O1 ZINC000567412019 485253842 /nfs/dbraw/zinc/25/38/42/485253842.db2.gz RQBIIBQETXDPRQ-TXCZRRACSA-N 0 3 353.467 -0.123 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H](n3cc(CO)nn3)C2)C[C@H](C)O1 ZINC000567412020 485253320 /nfs/dbraw/zinc/25/33/20/485253320.db2.gz RQBIIBQETXDPRQ-YALNPMBYSA-N 0 3 353.467 -0.123 20 0 FBADHN COc1ccc(NC(=O)[C@@H](CN)OC)cc1S(=O)(=O)N1CCOCC1 ZINC000567463250 485254484 /nfs/dbraw/zinc/25/44/84/485254484.db2.gz NFXMYHTVHJAKPR-CYBMUJFWSA-N 0 3 373.431 -0.372 20 0 FBADHN COc1ccc(NC(=O)[C@H](CN)OC)cc1S(=O)(=O)N1CCOCC1 ZINC000567463251 485254516 /nfs/dbraw/zinc/25/45/16/485254516.db2.gz NFXMYHTVHJAKPR-ZDUSSCGKSA-N 0 3 373.431 -0.372 20 0 FBADHN O=C(CCOC1C[NH2+]C1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000567466903 485254380 /nfs/dbraw/zinc/25/43/80/485254380.db2.gz IGPACBXESKTABN-UHFFFAOYSA-N 0 3 361.358 -0.526 20 0 FBADHN CCO[C@@H]1C[C@](N)(C(=O)NCCCn2c(=O)ccn(C)c2=O)C1(C)C ZINC000567469133 485254577 /nfs/dbraw/zinc/25/45/77/485254577.db2.gz SFPLHIBGWVMIRW-PXAZEXFGSA-N 0 3 352.435 -0.414 20 0 FBADHN CCO[C@H]1C[C@](N)(C(=O)NCCCn2c(=O)ccn(C)c2=O)C1(C)C ZINC000567469134 485254931 /nfs/dbraw/zinc/25/49/31/485254931.db2.gz SFPLHIBGWVMIRW-SJCJKPOMSA-N 0 3 352.435 -0.414 20 0 FBADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCCn2c(=O)ccn(C)c2=O)C1(C)C ZINC000567469135 485254831 /nfs/dbraw/zinc/25/48/31/485254831.db2.gz SFPLHIBGWVMIRW-SJKOYZFVSA-N 0 3 352.435 -0.414 20 0 FBADHN CCO[C@H]1C[C@@](N)(C(=O)NCCCn2c(=O)ccn(C)c2=O)C1(C)C ZINC000567469136 485254638 /nfs/dbraw/zinc/25/46/38/485254638.db2.gz SFPLHIBGWVMIRW-YVEFUNNKSA-N 0 3 352.435 -0.414 20 0 FBADHN Cn1nc(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)c2ccccc2c1=O ZINC000567469665 485254504 /nfs/dbraw/zinc/25/45/04/485254504.db2.gz TUXSYCBSRVZQCM-UHFFFAOYSA-N 0 3 368.401 -0.358 20 0 FBADHN CC1(C)CCCN(CCNC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000567477493 484517284 /nfs/dbraw/zinc/51/72/84/484517284.db2.gz UUBIXJILFITCRB-UHFFFAOYSA-N 0 3 363.466 0.142 20 0 FBADHN Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(C)CC3)C2=O)n1 ZINC000567479614 485255906 /nfs/dbraw/zinc/25/59/06/485255906.db2.gz CWUDHMHLLJOSCI-CYBMUJFWSA-N 0 3 362.434 -0.758 20 0 FBADHN Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(C)CC3)C2=O)n1 ZINC000567479615 485255528 /nfs/dbraw/zinc/25/55/28/485255528.db2.gz CWUDHMHLLJOSCI-ZDUSSCGKSA-N 0 3 362.434 -0.758 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000567483257 485255485 /nfs/dbraw/zinc/25/54/85/485255485.db2.gz RVNBWOFOXXFTDG-KRWDZBQOSA-N 0 3 356.511 -0.444 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000567483258 485255831 /nfs/dbraw/zinc/25/58/31/485255831.db2.gz RVNBWOFOXXFTDG-QGZVFWFLSA-N 0 3 356.511 -0.444 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000567487187 485255998 /nfs/dbraw/zinc/25/59/98/485255998.db2.gz DTBQJTIISWZCRL-IVZWLZJFSA-N 0 3 363.354 -0.125 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000567487188 485255437 /nfs/dbraw/zinc/25/54/37/485255437.db2.gz DTBQJTIISWZCRL-KXUCPTDWSA-N 0 3 363.354 -0.125 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000567487189 485255505 /nfs/dbraw/zinc/25/55/05/485255505.db2.gz DTBQJTIISWZCRL-LPEHRKFASA-N 0 3 363.354 -0.125 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000567487190 485255888 /nfs/dbraw/zinc/25/58/88/485255888.db2.gz DTBQJTIISWZCRL-OPRDCNLKSA-N 0 3 363.354 -0.125 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000567488155 485256068 /nfs/dbraw/zinc/25/60/68/485256068.db2.gz HTJCZQGGCOLXCO-ILXRZTDVSA-N 0 3 360.414 -0.739 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000567488156 485255646 /nfs/dbraw/zinc/25/56/46/485255646.db2.gz HTJCZQGGCOLXCO-KFWWJZLASA-N 0 3 360.414 -0.739 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000567488157 485255300 /nfs/dbraw/zinc/25/53/00/485255300.db2.gz HTJCZQGGCOLXCO-KKUMJFAQSA-N 0 3 360.414 -0.739 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000567488158 485255365 /nfs/dbraw/zinc/25/53/65/485255365.db2.gz HTJCZQGGCOLXCO-ZNMIVQPWSA-N 0 3 360.414 -0.739 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnc4ccccc4c3)CCN2C1=O ZINC000567488200 485255522 /nfs/dbraw/zinc/25/55/22/485255522.db2.gz IWJUEDNGCQJACK-KBPBESRZSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnc4ccccc4c3)CCN2C1=O ZINC000567488201 485255561 /nfs/dbraw/zinc/25/55/61/485255561.db2.gz IWJUEDNGCQJACK-KGLIPLIRSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnc4ccccc4c3)CCN2C1=O ZINC000567488202 485255534 /nfs/dbraw/zinc/25/55/34/485255534.db2.gz IWJUEDNGCQJACK-UONOGXRCSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnc4ccccc4c3)CCN2C1=O ZINC000567488203 485255472 /nfs/dbraw/zinc/25/54/72/485255472.db2.gz IWJUEDNGCQJACK-ZIAGYGMSSA-N 0 3 353.382 -0.056 20 0 FBADHN COc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567488504 485255492 /nfs/dbraw/zinc/25/54/92/485255492.db2.gz UWSDJIGYEPQTIN-CQDKDKBSSA-N 0 3 372.425 -0.431 20 0 FBADHN COc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567488505 485255961 /nfs/dbraw/zinc/25/59/61/485255961.db2.gz UWSDJIGYEPQTIN-DFBGVHRSSA-N 0 3 372.425 -0.431 20 0 FBADHN COc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567488506 485255539 /nfs/dbraw/zinc/25/55/39/485255539.db2.gz UWSDJIGYEPQTIN-GLQYFDAESA-N 0 3 372.425 -0.431 20 0 FBADHN COc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567488507 485255372 /nfs/dbraw/zinc/25/53/72/485255372.db2.gz UWSDJIGYEPQTIN-UGFHNGPFSA-N 0 3 372.425 -0.431 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(F)(F)F ZINC000567488613 485255724 /nfs/dbraw/zinc/25/57/24/485255724.db2.gz YWUUHDWAKUNYQN-BDAKNGLRSA-N 0 3 350.341 -0.539 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(F)(F)F ZINC000567488614 485255619 /nfs/dbraw/zinc/25/56/19/485255619.db2.gz YWUUHDWAKUNYQN-DTWKUNHWSA-N 0 3 350.341 -0.539 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(F)(F)F ZINC000567488615 485255458 /nfs/dbraw/zinc/25/54/58/485255458.db2.gz YWUUHDWAKUNYQN-IUCAKERBSA-N 0 3 350.341 -0.539 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(F)(F)F ZINC000567488616 485255655 /nfs/dbraw/zinc/25/56/55/485255655.db2.gz YWUUHDWAKUNYQN-RKDXNWHRSA-N 0 3 350.341 -0.539 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCCC[C@H]3CC[NH3+])cc2c(=O)[n-]c1=O ZINC000567502022 485256631 /nfs/dbraw/zinc/25/66/31/485256631.db2.gz SQZPTQLTSLWPAM-JTQLQIEISA-N 0 3 367.431 -0.074 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CCCC[C@@H]3CC[NH3+])cc2c(=O)[n-]c1=O ZINC000567502023 485256601 /nfs/dbraw/zinc/25/66/01/485256601.db2.gz SQZPTQLTSLWPAM-SNVBAGLBSA-N 0 3 367.431 -0.074 20 0 FBADHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000567507934 484520043 /nfs/dbraw/zinc/52/00/43/484520043.db2.gz VTNAAOGQJQLTQI-CHWSQXEVSA-N 0 3 361.450 -0.153 20 0 FBADHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000567507935 484519582 /nfs/dbraw/zinc/51/95/82/484519582.db2.gz VTNAAOGQJQLTQI-OLZOCXBDSA-N 0 3 361.450 -0.153 20 0 FBADHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000567507936 484519383 /nfs/dbraw/zinc/51/93/83/484519383.db2.gz VTNAAOGQJQLTQI-QWHCGFSZSA-N 0 3 361.450 -0.153 20 0 FBADHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000567507937 484519609 /nfs/dbraw/zinc/51/96/09/484519609.db2.gz VTNAAOGQJQLTQI-STQMWFEESA-N 0 3 361.450 -0.153 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000567509029 485256717 /nfs/dbraw/zinc/25/67/17/485256717.db2.gz TYRBIYAYKPKGQQ-CYBMUJFWSA-N 0 3 366.466 -0.296 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000567509030 485256566 /nfs/dbraw/zinc/25/65/66/485256566.db2.gz TYRBIYAYKPKGQQ-ZDUSSCGKSA-N 0 3 366.466 -0.296 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(C3CC3)CC2)CCCO1 ZINC000567510422 485256694 /nfs/dbraw/zinc/25/66/94/485256694.db2.gz ZMMPCWBHLOHSKW-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(C3CC3)CC2)CCCO1 ZINC000567510423 485256739 /nfs/dbraw/zinc/25/67/39/485256739.db2.gz ZMMPCWBHLOHSKW-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000567516583 485256530 /nfs/dbraw/zinc/25/65/30/485256530.db2.gz BPBNYEVLLDJKLN-CABCVRRESA-N 0 3 353.467 -0.196 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000567516583 485256526 /nfs/dbraw/zinc/25/65/26/485256526.db2.gz BPBNYEVLLDJKLN-CABCVRRESA-N 0 3 353.467 -0.196 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000567516584 485256620 /nfs/dbraw/zinc/25/66/20/485256620.db2.gz BPBNYEVLLDJKLN-HUUCEWRRSA-N 0 3 353.467 -0.196 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000567516584 485256618 /nfs/dbraw/zinc/25/66/18/485256618.db2.gz BPBNYEVLLDJKLN-HUUCEWRRSA-N 0 3 353.467 -0.196 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4ncccc4c3)CCN2C1=O ZINC000567522679 485258328 /nfs/dbraw/zinc/25/83/28/485258328.db2.gz XGQXHPXVMPMFQG-KBPBESRZSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4ncccc4c3)CCN2C1=O ZINC000567522680 485258527 /nfs/dbraw/zinc/25/85/27/485258527.db2.gz XGQXHPXVMPMFQG-KGLIPLIRSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4ncccc4c3)CCN2C1=O ZINC000567522681 485258515 /nfs/dbraw/zinc/25/85/15/485258515.db2.gz XGQXHPXVMPMFQG-UONOGXRCSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4ncccc4c3)CCN2C1=O ZINC000567522682 485258418 /nfs/dbraw/zinc/25/84/18/485258418.db2.gz XGQXHPXVMPMFQG-ZIAGYGMSSA-N 0 3 353.382 -0.056 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000567526658 485257883 /nfs/dbraw/zinc/25/78/83/485257883.db2.gz SPSCBTVALUXNPP-AWEZNQCLSA-N 0 3 365.496 -0.849 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000567526659 485257871 /nfs/dbraw/zinc/25/78/71/485257871.db2.gz SPSCBTVALUXNPP-CQSZACIVSA-N 0 3 365.496 -0.849 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCCCN(C)CCOC)C[C@@]2(CCOC2)O1 ZINC000567529163 485258034 /nfs/dbraw/zinc/25/80/34/485258034.db2.gz HPAUCSDHLCODDG-CRAIPNDOSA-N 0 3 371.478 -0.133 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)NCCCN(C)CCOC)C[C@@]2(CCOC2)O1 ZINC000567529164 485258194 /nfs/dbraw/zinc/25/81/94/485258194.db2.gz HPAUCSDHLCODDG-MAUKXSAKSA-N 0 3 371.478 -0.133 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCCCN(C)CCOC)C[C@]2(CCOC2)O1 ZINC000567529165 485257852 /nfs/dbraw/zinc/25/78/52/485257852.db2.gz HPAUCSDHLCODDG-QAPCUYQASA-N 0 3 371.478 -0.133 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)NCCCN(C)CCOC)C[C@]2(CCOC2)O1 ZINC000567529166 485258442 /nfs/dbraw/zinc/25/84/42/485258442.db2.gz HPAUCSDHLCODDG-YJBOKZPZSA-N 0 3 371.478 -0.133 20 0 FBADHN C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)NCCN(C)C ZINC000567540706 485258701 /nfs/dbraw/zinc/25/87/01/485258701.db2.gz BAXWMPAKJQEDIT-LLVKDONJSA-N 0 3 367.475 -0.005 20 0 FBADHN C[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)NCCN(C)C ZINC000567540709 485257816 /nfs/dbraw/zinc/25/78/16/485257816.db2.gz BAXWMPAKJQEDIT-NSHDSACASA-N 0 3 367.475 -0.005 20 0 FBADHN C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000567546295 485258133 /nfs/dbraw/zinc/25/81/33/485258133.db2.gz ISGKKOYTAQJMNP-AVGNSLFASA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000567546296 485257781 /nfs/dbraw/zinc/25/77/81/485257781.db2.gz ISGKKOYTAQJMNP-RWMBFGLXSA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000567546297 485258161 /nfs/dbraw/zinc/25/81/61/485258161.db2.gz ISGKKOYTAQJMNP-UPJWGTAASA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)NCCN(C)C ZINC000567546298 485258660 /nfs/dbraw/zinc/25/86/60/485258660.db2.gz ISGKKOYTAQJMNP-YNEHKIRRSA-N 0 3 352.435 -0.656 20 0 FBADHN CCN1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000567578154 485259592 /nfs/dbraw/zinc/25/95/92/485259592.db2.gz OPSXOUYFFFTZHX-AWEZNQCLSA-N 0 3 351.451 -0.443 20 0 FBADHN CCN1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000567578155 485259381 /nfs/dbraw/zinc/25/93/81/485259381.db2.gz OPSXOUYFFFTZHX-CQSZACIVSA-N 0 3 351.451 -0.443 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000567588919 485260779 /nfs/dbraw/zinc/26/07/79/485260779.db2.gz OPKLTDWJZVSOQO-DZGCQCFKSA-N 0 3 357.414 -0.693 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000567588920 485260059 /nfs/dbraw/zinc/26/00/59/485260059.db2.gz OPKLTDWJZVSOQO-HIFRSBDPSA-N 0 3 357.414 -0.693 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000567588921 485260475 /nfs/dbraw/zinc/26/04/75/485260475.db2.gz OPKLTDWJZVSOQO-UKRRQHHQSA-N 0 3 357.414 -0.693 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000567588922 485260634 /nfs/dbraw/zinc/26/06/34/485260634.db2.gz OPKLTDWJZVSOQO-ZFWWWQNUSA-N 0 3 357.414 -0.693 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@H](CN)C1 ZINC000567595625 485260832 /nfs/dbraw/zinc/26/08/32/485260832.db2.gz FLEMPPAHGYDFJT-GHMZBOCLSA-N 0 3 351.373 -0.176 20 0 FBADHN CN1CCN(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@H](CN)C1 ZINC000567595626 485260345 /nfs/dbraw/zinc/26/03/45/485260345.db2.gz FLEMPPAHGYDFJT-MNOVXSKESA-N 0 3 351.373 -0.176 20 0 FBADHN CN1CCN(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](CN)C1 ZINC000567595627 485260294 /nfs/dbraw/zinc/26/02/94/485260294.db2.gz FLEMPPAHGYDFJT-QWRGUYRKSA-N 0 3 351.373 -0.176 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](CN)C1 ZINC000567595628 485260044 /nfs/dbraw/zinc/26/00/44/485260044.db2.gz FLEMPPAHGYDFJT-WDEREUQCSA-N 0 3 351.373 -0.176 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccccc2-n2cccn2)[C@@H](CN)C1 ZINC000567597741 485260534 /nfs/dbraw/zinc/26/05/34/485260534.db2.gz QXONODVGPOAONZ-HNNXBMFYSA-N 0 3 356.430 -0.410 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccccc2-n2cccn2)[C@H](CN)C1 ZINC000567597742 485260313 /nfs/dbraw/zinc/26/03/13/485260313.db2.gz QXONODVGPOAONZ-OAHLLOKOSA-N 0 3 356.430 -0.410 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000567601446 485260720 /nfs/dbraw/zinc/26/07/20/485260720.db2.gz RYSFPYTZIAFJCN-KBXCAEBGSA-N 0 3 368.478 -0.412 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000567601447 485260136 /nfs/dbraw/zinc/26/01/36/485260136.db2.gz RYSFPYTZIAFJCN-KDOFPFPSSA-N 0 3 368.478 -0.412 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000567601448 485260577 /nfs/dbraw/zinc/26/05/77/485260577.db2.gz RYSFPYTZIAFJCN-KSSFIOAISA-N 0 3 368.478 -0.412 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000567601449 485260402 /nfs/dbraw/zinc/26/04/02/485260402.db2.gz RYSFPYTZIAFJCN-RDTXWAMCSA-N 0 3 368.478 -0.412 20 0 FBADHN C[C@@H]1CCN[C@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000567604007 485260697 /nfs/dbraw/zinc/26/06/97/485260697.db2.gz OSFBTNQKGKMDCV-CABCVRRESA-N 0 3 373.523 -0.989 20 0 FBADHN C[C@H]1CCN[C@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000567604008 485259928 /nfs/dbraw/zinc/25/99/28/485259928.db2.gz OSFBTNQKGKMDCV-GJZGRUSLSA-N 0 3 373.523 -0.989 20 0 FBADHN C[C@@H]1CCN[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000567604009 485260621 /nfs/dbraw/zinc/26/06/21/485260621.db2.gz OSFBTNQKGKMDCV-HUUCEWRRSA-N 0 3 373.523 -0.989 20 0 FBADHN C[C@H]1CCN[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000567604010 485260493 /nfs/dbraw/zinc/26/04/93/485260493.db2.gz OSFBTNQKGKMDCV-LSDHHAIUSA-N 0 3 373.523 -0.989 20 0 FBADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000567611028 485260013 /nfs/dbraw/zinc/26/00/13/485260013.db2.gz CSJRDYVDVVBHEP-MRVPVSSYSA-N 0 3 361.328 -0.436 20 0 FBADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000567611029 485260433 /nfs/dbraw/zinc/26/04/33/485260433.db2.gz CSJRDYVDVVBHEP-QMMMGPOBSA-N 0 3 361.328 -0.436 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@H](CN)C1 ZINC000567616514 485259889 /nfs/dbraw/zinc/25/98/89/485259889.db2.gz BNLINFIJTWMTDA-CYBMUJFWSA-N 0 3 361.489 -0.505 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H](CN)C1 ZINC000567616515 485260808 /nfs/dbraw/zinc/26/08/08/485260808.db2.gz BNLINFIJTWMTDA-ZDUSSCGKSA-N 0 3 361.489 -0.505 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 ZINC000567618567 485261884 /nfs/dbraw/zinc/26/18/84/485261884.db2.gz PAGIYAXGBJHMER-AWEZNQCLSA-N 0 3 374.507 -0.400 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 ZINC000567618568 485261954 /nfs/dbraw/zinc/26/19/54/485261954.db2.gz PAGIYAXGBJHMER-CQSZACIVSA-N 0 3 374.507 -0.400 20 0 FBADHN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)NCCN(C)C ZINC000567626248 485261549 /nfs/dbraw/zinc/26/15/49/485261549.db2.gz IBMZQTILFXYUMU-JTQLQIEISA-N 0 3 359.452 -0.939 20 0 FBADHN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)NCCN(C)C ZINC000567626249 485262060 /nfs/dbraw/zinc/26/20/60/485262060.db2.gz IBMZQTILFXYUMU-SNVBAGLBSA-N 0 3 359.452 -0.939 20 0 FBADHN CCNC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000567627793 485262214 /nfs/dbraw/zinc/26/22/14/485262214.db2.gz AGZAJPZZAAZNGM-CABCVRRESA-N 0 3 359.430 -0.110 20 0 FBADHN CCNC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000567627794 485261585 /nfs/dbraw/zinc/26/15/85/485261585.db2.gz AGZAJPZZAAZNGM-GJZGRUSLSA-N 0 3 359.430 -0.110 20 0 FBADHN CCNC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000567627795 485261742 /nfs/dbraw/zinc/26/17/42/485261742.db2.gz AGZAJPZZAAZNGM-HUUCEWRRSA-N 0 3 359.430 -0.110 20 0 FBADHN CCNC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000567627796 485262279 /nfs/dbraw/zinc/26/22/79/485262279.db2.gz AGZAJPZZAAZNGM-LSDHHAIUSA-N 0 3 359.430 -0.110 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)CCN2C1=O ZINC000567628393 485261451 /nfs/dbraw/zinc/26/14/51/485261451.db2.gz RYZYSGJNEBJBPO-ARFHVFGLSA-N 0 3 371.441 -0.296 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)CCN2C1=O ZINC000567628394 485261977 /nfs/dbraw/zinc/26/19/77/485261977.db2.gz RYZYSGJNEBJBPO-BZUAXINKSA-N 0 3 371.441 -0.296 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)CCN2C1=O ZINC000567628395 485261370 /nfs/dbraw/zinc/26/13/70/485261370.db2.gz RYZYSGJNEBJBPO-HRCADAONSA-N 0 3 371.441 -0.296 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)CCN2C1=O ZINC000567628396 485261681 /nfs/dbraw/zinc/26/16/81/485261681.db2.gz RYZYSGJNEBJBPO-OWCLPIDISA-N 0 3 371.441 -0.296 20 0 FBADHN C[C@H](Cc1cccs1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567628689 485262028 /nfs/dbraw/zinc/26/20/28/485262028.db2.gz XBTQDDRGMATPRU-MDZLAQPJSA-N 0 3 350.444 -0.434 20 0 FBADHN C[C@H](Cc1cccs1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567628690 485262255 /nfs/dbraw/zinc/26/22/55/485262255.db2.gz XBTQDDRGMATPRU-NQBHXWOUSA-N 0 3 350.444 -0.434 20 0 FBADHN C[C@H](Cc1cccs1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567628691 485261715 /nfs/dbraw/zinc/26/17/15/485261715.db2.gz XBTQDDRGMATPRU-NTZNESFSSA-N 0 3 350.444 -0.434 20 0 FBADHN C[C@H](Cc1cccs1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567628692 485261936 /nfs/dbraw/zinc/26/19/36/485261936.db2.gz XBTQDDRGMATPRU-WZRBSPASSA-N 0 3 350.444 -0.434 20 0 FBADHN Cn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1=O ZINC000567628721 485261351 /nfs/dbraw/zinc/26/13/51/485261351.db2.gz YAQHGCPMCDUFPP-CHWSQXEVSA-N 0 3 357.414 -0.500 20 0 FBADHN Cn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1=O ZINC000567628722 485261724 /nfs/dbraw/zinc/26/17/24/485261724.db2.gz YAQHGCPMCDUFPP-OLZOCXBDSA-N 0 3 357.414 -0.500 20 0 FBADHN Cn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1=O ZINC000567628723 485261785 /nfs/dbraw/zinc/26/17/85/485261785.db2.gz YAQHGCPMCDUFPP-QWHCGFSZSA-N 0 3 357.414 -0.500 20 0 FBADHN Cn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1=O ZINC000567628724 485261758 /nfs/dbraw/zinc/26/17/58/485261758.db2.gz YAQHGCPMCDUFPP-STQMWFEESA-N 0 3 357.414 -0.500 20 0 FBADHN CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000567650927 485261479 /nfs/dbraw/zinc/26/14/79/485261479.db2.gz BUNMNDYRMCLPBM-KBPBESRZSA-N 0 3 362.430 -0.614 20 0 FBADHN CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000567650928 485262314 /nfs/dbraw/zinc/26/23/14/485262314.db2.gz BUNMNDYRMCLPBM-KGLIPLIRSA-N 0 3 362.430 -0.614 20 0 FBADHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000567650929 485261524 /nfs/dbraw/zinc/26/15/24/485261524.db2.gz BUNMNDYRMCLPBM-UONOGXRCSA-N 0 3 362.430 -0.614 20 0 FBADHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000567650930 485261562 /nfs/dbraw/zinc/26/15/62/485261562.db2.gz BUNMNDYRMCLPBM-ZIAGYGMSSA-N 0 3 362.430 -0.614 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC(n3cc(Cl)cn3)CC2)[C@@H](CN)C1 ZINC000567651600 485261854 /nfs/dbraw/zinc/26/18/54/485261854.db2.gz PAUSDJMTZDFOQR-AWEZNQCLSA-N 0 3 368.869 -0.199 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC(n3cc(Cl)cn3)CC2)[C@H](CN)C1 ZINC000567651601 485262289 /nfs/dbraw/zinc/26/22/89/485262289.db2.gz PAUSDJMTZDFOQR-CQSZACIVSA-N 0 3 368.869 -0.199 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CCOC3CNC3)cn2)C[C@H](C)O1 ZINC000567666288 485263410 /nfs/dbraw/zinc/26/34/10/485263410.db2.gz JELMWTHXBKUREK-BETUJISGSA-N 0 3 365.434 -0.164 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CCOC3CNC3)cn2)C[C@@H](C)O1 ZINC000567666289 485263513 /nfs/dbraw/zinc/26/35/13/485263513.db2.gz JELMWTHXBKUREK-CHWSQXEVSA-N 0 3 365.434 -0.164 20 0 FBADHN C[C@H]1CN(C(=O)Cn2cc(NC(=O)CCOC3CNC3)cn2)C[C@H](C)O1 ZINC000567666290 485263050 /nfs/dbraw/zinc/26/30/50/485263050.db2.gz JELMWTHXBKUREK-STQMWFEESA-N 0 3 365.434 -0.164 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@@H]1O ZINC000567672450 485262724 /nfs/dbraw/zinc/26/27/24/485262724.db2.gz CSRGGDYMFTTXSD-IRXDYDNUSA-N 0 3 360.458 -0.198 20 0 FBADHN COc1ccc(C(=O)NC[C@H]2CNCCO2)cc1S(=O)(=O)N(C)C ZINC000567674905 485263401 /nfs/dbraw/zinc/26/34/01/485263401.db2.gz MUQJWXVASJLVSD-GFCCVEGCSA-N 0 3 357.432 -0.336 20 0 FBADHN COc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1S(=O)(=O)N(C)C ZINC000567674906 485262861 /nfs/dbraw/zinc/26/28/61/485262861.db2.gz MUQJWXVASJLVSD-LBPRGKRZSA-N 0 3 357.432 -0.336 20 0 FBADHN COc1ccc(S(=O)(=O)CCC(=O)NC[C@H]2CNCCO2)cc1OC ZINC000567675077 485262915 /nfs/dbraw/zinc/26/29/15/485262915.db2.gz ZWCVSJYXUJUUCU-GFCCVEGCSA-N 0 3 372.443 -0.028 20 0 FBADHN COc1ccc(S(=O)(=O)CCC(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000567675078 485262877 /nfs/dbraw/zinc/26/28/77/485262877.db2.gz ZWCVSJYXUJUUCU-LBPRGKRZSA-N 0 3 372.443 -0.028 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000567675673 485263090 /nfs/dbraw/zinc/26/30/90/485263090.db2.gz JAHQGGZGKGDYCI-CYBMUJFWSA-N 0 3 354.432 -0.458 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000567675674 485262651 /nfs/dbraw/zinc/26/26/51/485262651.db2.gz JAHQGGZGKGDYCI-ZDUSSCGKSA-N 0 3 354.432 -0.458 20 0 FBADHN CN1CCN(C[C@@H](O)CNCCNS(=O)(=O)c2ccccc2)CC1 ZINC000567680367 485263262 /nfs/dbraw/zinc/26/32/62/485263262.db2.gz WQYBNSPJUBWWKS-HNNXBMFYSA-N 0 3 356.492 -0.837 20 0 FBADHN CN1CCN(C[C@H](O)CNCCNS(=O)(=O)c2ccccc2)CC1 ZINC000567680368 485263467 /nfs/dbraw/zinc/26/34/67/485263467.db2.gz WQYBNSPJUBWWKS-OAHLLOKOSA-N 0 3 356.492 -0.837 20 0 FBADHN COCCOC[C@@H](O)CNCC(=O)N1CCN(c2ccccc2)CC1 ZINC000567681578 485263168 /nfs/dbraw/zinc/26/31/68/485263168.db2.gz WDFZZNYFPUGXOH-KRWDZBQOSA-N 0 3 351.447 -0.051 20 0 FBADHN COCCOC[C@H](O)CNCC(=O)N1CCN(c2ccccc2)CC1 ZINC000567681579 485262637 /nfs/dbraw/zinc/26/26/37/485262637.db2.gz WDFZZNYFPUGXOH-QGZVFWFLSA-N 0 3 351.447 -0.051 20 0 FBADHN O=C(NCCNC[C@@H](O)COc1ccc2c(c1)OCO2)c1cnccn1 ZINC000567683720 485263222 /nfs/dbraw/zinc/26/32/22/485263222.db2.gz VVQHLPFYYLMAPS-GFCCVEGCSA-N 0 3 360.370 -0.035 20 0 FBADHN O=C(NCCNC[C@H](O)COc1ccc2c(c1)OCO2)c1cnccn1 ZINC000567683721 485263125 /nfs/dbraw/zinc/26/31/25/485263125.db2.gz VVQHLPFYYLMAPS-LBPRGKRZSA-N 0 3 360.370 -0.035 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000567690047 485262759 /nfs/dbraw/zinc/26/27/59/485262759.db2.gz XJKYJXXVDUDUHF-MUIFIZLQSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000567690048 485262984 /nfs/dbraw/zinc/26/29/84/485262984.db2.gz XJKYJXXVDUDUHF-SRABZTEZSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000567690049 485263135 /nfs/dbraw/zinc/26/31/35/485263135.db2.gz XJKYJXXVDUDUHF-WTTBNOFXSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000567690050 485263064 /nfs/dbraw/zinc/26/30/64/485263064.db2.gz XJKYJXXVDUDUHF-YALNPMBYSA-N 0 3 365.478 -0.025 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CNCCN2C(=O)CNC2=O)cc1 ZINC000567691815 485263214 /nfs/dbraw/zinc/26/32/14/485263214.db2.gz FYXBHESEFQBWGY-GFCCVEGCSA-N 0 3 351.359 -0.646 20 0 FBADHN COC(=O)c1ccc(OC[C@@H](O)CNCCN2C(=O)CNC2=O)cc1 ZINC000567691816 485262973 /nfs/dbraw/zinc/26/29/73/485262973.db2.gz FYXBHESEFQBWGY-LBPRGKRZSA-N 0 3 351.359 -0.646 20 0 FBADHN CCOC(=O)C1CCC(O)(CNCCNS(=O)(=O)NC(C)C)CC1 ZINC000567700439 485262786 /nfs/dbraw/zinc/26/27/86/485262786.db2.gz MFPCDBHKIFJVSK-UHFFFAOYSA-N 0 3 365.496 -0.107 20 0 FBADHN CN(C)S(=O)(=O)CCNC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000567707771 485264014 /nfs/dbraw/zinc/26/40/14/485264014.db2.gz DQESJURUHVSKPW-CYBMUJFWSA-N 0 3 370.431 -0.655 20 0 FBADHN CN(C)S(=O)(=O)CCNC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000567707772 485264473 /nfs/dbraw/zinc/26/44/73/485264473.db2.gz DQESJURUHVSKPW-ZDUSSCGKSA-N 0 3 370.431 -0.655 20 0 FBADHN CN(C)S(=O)(=O)CCNC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000567709376 485264637 /nfs/dbraw/zinc/26/46/37/485264637.db2.gz XUKNIRILKIPPFE-LLVKDONJSA-N 0 3 355.416 -0.876 20 0 FBADHN CN(C)S(=O)(=O)CCNC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000567709377 485264089 /nfs/dbraw/zinc/26/40/89/485264089.db2.gz XUKNIRILKIPPFE-NSHDSACASA-N 0 3 355.416 -0.876 20 0 FBADHN O=C(CCOC1CNC1)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000567729131 485264560 /nfs/dbraw/zinc/26/45/60/485264560.db2.gz NCUQRTMPZINCJF-UHFFFAOYSA-N 0 3 362.434 -0.990 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)CN(C)S(=O)(=O)N(C)C)CCCO1 ZINC000567742021 485264254 /nfs/dbraw/zinc/26/42/54/485264254.db2.gz OPXNEKGUQVVCQC-CYBMUJFWSA-N 0 3 350.485 -0.658 20 0 FBADHN C[C@H]1CN(CCCNC(=O)CN(C)S(=O)(=O)N(C)C)CCCO1 ZINC000567742022 485264064 /nfs/dbraw/zinc/26/40/64/485264064.db2.gz OPXNEKGUQVVCQC-ZDUSSCGKSA-N 0 3 350.485 -0.658 20 0 FBADHN COc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1S(C)(=O)=O ZINC000567751288 485264960 /nfs/dbraw/zinc/26/49/60/485264960.db2.gz XVPLPKMBAXPJFI-LLVKDONJSA-N 0 3 371.459 -0.105 20 0 FBADHN COc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1S(C)(=O)=O ZINC000567751289 485265201 /nfs/dbraw/zinc/26/52/01/485265201.db2.gz XVPLPKMBAXPJFI-NSHDSACASA-N 0 3 371.459 -0.105 20 0 FBADHN CSCCCNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000567762274 485265018 /nfs/dbraw/zinc/26/50/18/485265018.db2.gz FCVKDPBYCCNCKB-CYBMUJFWSA-N 0 3 358.508 -0.085 20 0 FBADHN CSCCCNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000567762275 485265601 /nfs/dbraw/zinc/26/56/01/485265601.db2.gz FCVKDPBYCCNCKB-ZDUSSCGKSA-N 0 3 358.508 -0.085 20 0 FBADHN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C[C@H]2CNCCO2)CC1 ZINC000567764294 485265617 /nfs/dbraw/zinc/26/56/17/485265617.db2.gz VDRJUVMIGZTNAM-AWEZNQCLSA-N 0 3 355.435 -0.375 20 0 FBADHN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C[C@@H]2CNCCO2)CC1 ZINC000567764295 485265277 /nfs/dbraw/zinc/26/52/77/485265277.db2.gz VDRJUVMIGZTNAM-CQSZACIVSA-N 0 3 355.435 -0.375 20 0 FBADHN O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000567765357 485265386 /nfs/dbraw/zinc/26/53/86/485265386.db2.gz ROMZYVZZUUACET-HNNXBMFYSA-N 0 3 360.414 -0.455 20 0 FBADHN O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000567765358 485265511 /nfs/dbraw/zinc/26/55/11/485265511.db2.gz ROMZYVZZUUACET-OAHLLOKOSA-N 0 3 360.414 -0.455 20 0 FBADHN O=C(CN1CCN(C(=O)CCOC2CNC2)CC1)NCc1ccccc1 ZINC000567789099 485266715 /nfs/dbraw/zinc/26/67/15/485266715.db2.gz TUZPQGFSYIFSQU-UHFFFAOYSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(CN1CCN(C(=O)CCOC2CNC2)CC1)NC1CCCCC1 ZINC000567801248 485266364 /nfs/dbraw/zinc/26/63/64/485266364.db2.gz KHVIVNCKLPLEQY-UHFFFAOYSA-N 0 3 352.479 -0.042 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000567802183 485266077 /nfs/dbraw/zinc/26/60/77/485266077.db2.gz HFLSADJWHTZOPK-GHMZBOCLSA-N 0 3 352.357 -0.733 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000567802184 485266761 /nfs/dbraw/zinc/26/67/61/485266761.db2.gz HFLSADJWHTZOPK-MNOVXSKESA-N 0 3 352.357 -0.733 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000567802185 485266117 /nfs/dbraw/zinc/26/61/17/485266117.db2.gz HFLSADJWHTZOPK-QWRGUYRKSA-N 0 3 352.357 -0.733 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000567802186 485266269 /nfs/dbraw/zinc/26/62/69/485266269.db2.gz HFLSADJWHTZOPK-WDEREUQCSA-N 0 3 352.357 -0.733 20 0 FBADHN C[C@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)[C@@H](N)c1ccccc1 ZINC000567806419 485266459 /nfs/dbraw/zinc/26/64/59/485266459.db2.gz HHSFQGKFNUYHPQ-DZGCQCFKSA-N 0 3 354.476 -0.245 20 0 FBADHN C[C@@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)[C@H](N)c1ccccc1 ZINC000567806420 485266254 /nfs/dbraw/zinc/26/62/54/485266254.db2.gz HHSFQGKFNUYHPQ-HIFRSBDPSA-N 0 3 354.476 -0.245 20 0 FBADHN C[C@@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)[C@@H](N)c1ccccc1 ZINC000567806421 485266470 /nfs/dbraw/zinc/26/64/70/485266470.db2.gz HHSFQGKFNUYHPQ-UKRRQHHQSA-N 0 3 354.476 -0.245 20 0 FBADHN C[C@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)[C@H](N)c1ccccc1 ZINC000567806422 485266048 /nfs/dbraw/zinc/26/60/48/485266048.db2.gz HHSFQGKFNUYHPQ-ZFWWWQNUSA-N 0 3 354.476 -0.245 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000567823472 485267302 /nfs/dbraw/zinc/26/73/02/485267302.db2.gz ZTTRQKUHLLKPPL-IHRRRGAJSA-N 0 3 355.414 -0.271 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000567823473 485267238 /nfs/dbraw/zinc/26/72/38/485267238.db2.gz ZTTRQKUHLLKPPL-MELADBBJSA-N 0 3 355.414 -0.271 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)nn1 ZINC000567823621 485267292 /nfs/dbraw/zinc/26/72/92/485267292.db2.gz DTZIZXCVFMCVKR-KANYHAFZSA-N 0 3 351.407 -0.287 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)nn1 ZINC000567823622 485267267 /nfs/dbraw/zinc/26/72/67/485267267.db2.gz DTZIZXCVFMCVKR-KNHMANMVSA-N 0 3 351.407 -0.287 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)nn1 ZINC000567823623 485267281 /nfs/dbraw/zinc/26/72/81/485267281.db2.gz DTZIZXCVFMCVKR-NSODJVPESA-N 0 3 351.407 -0.287 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)nn1 ZINC000567823624 485267464 /nfs/dbraw/zinc/26/74/64/485267464.db2.gz DTZIZXCVFMCVKR-RSAASHCRSA-N 0 3 351.407 -0.287 20 0 FBADHN CN1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)[C@H](CN)C1 ZINC000567829700 485267635 /nfs/dbraw/zinc/26/76/35/485267635.db2.gz GXCJGEWMEBQFJS-CYBMUJFWSA-N 0 3 359.430 -0.147 20 0 FBADHN CN1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)[C@@H](CN)C1 ZINC000567829701 485267730 /nfs/dbraw/zinc/26/77/30/485267730.db2.gz GXCJGEWMEBQFJS-ZDUSSCGKSA-N 0 3 359.430 -0.147 20 0 FBADHN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567830460 485267140 /nfs/dbraw/zinc/26/71/40/485267140.db2.gz BODNEXJPWHAPIC-UHFFFAOYSA-N 0 3 370.421 -0.160 20 0 FBADHN CCCC(=O)N1CSC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567830562 485267597 /nfs/dbraw/zinc/26/75/97/485267597.db2.gz JBQLYYYSVUYDLN-JTQLQIEISA-N 0 3 353.452 -0.146 20 0 FBADHN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567830563 485267713 /nfs/dbraw/zinc/26/77/13/485267713.db2.gz JBQLYYYSVUYDLN-SNVBAGLBSA-N 0 3 353.452 -0.146 20 0 FBADHN CC1(C)NC(=O)N(CCCC(=O)Nc2nc(N3CCNCC3)n[nH]2)C1=O ZINC000567830752 485267863 /nfs/dbraw/zinc/26/78/63/485267863.db2.gz VHIVDVNWEKCTSS-UHFFFAOYSA-N 0 3 364.410 -0.737 20 0 FBADHN CS(=O)(=O)c1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000567831111 485267816 /nfs/dbraw/zinc/26/78/16/485267816.db2.gz NPFHJKISOGGKRK-UHFFFAOYSA-N 0 3 350.404 -0.130 20 0 FBADHN CNC(=O)COc1cccc(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)c1 ZINC000567831145 485268605 /nfs/dbraw/zinc/26/86/05/485268605.db2.gz PVYUMFZYLWVPCV-UHFFFAOYSA-N 0 3 373.417 -0.480 20 0 FBADHN Cn1ccnc1CN1CCC(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC1 ZINC000567831152 485268141 /nfs/dbraw/zinc/26/81/41/485268141.db2.gz QETXPZNUIFCRRM-UHFFFAOYSA-N 0 3 373.465 -0.202 20 0 FBADHN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(N3CCNCC3)n[nH]2)cnn1C ZINC000567831286 485268162 /nfs/dbraw/zinc/26/81/62/485268162.db2.gz ZPNOHRAYZWTDHZ-AAEUAGOBSA-N 0 3 360.422 -0.027 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000567836225 485268385 /nfs/dbraw/zinc/26/83/85/485268385.db2.gz LPBLLMBAHPZNKR-INIZCTEOSA-N 0 3 359.492 -0.195 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000567836226 485268771 /nfs/dbraw/zinc/26/87/71/485268771.db2.gz LPBLLMBAHPZNKR-MRXNPFEDSA-N 0 3 359.492 -0.195 20 0 FBADHN CC(=O)NCCN(C)C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000567836841 485268860 /nfs/dbraw/zinc/26/88/60/485268860.db2.gz PJITWXQYQCWETC-UHFFFAOYSA-N 0 3 364.446 -0.162 20 0 FBADHN Cn1c(=O)c2ccc(C(=O)N[C@H]3CNCCC3(F)F)nc2n(C)c1=O ZINC000567846463 485268108 /nfs/dbraw/zinc/26/81/08/485268108.db2.gz CLBGVRSKUTUCLF-JTQLQIEISA-N 0 3 353.329 -0.641 20 0 FBADHN Cn1c(=O)c2ccc(C(=O)N[C@@H]3CNCCC3(F)F)nc2n(C)c1=O ZINC000567846464 485268910 /nfs/dbraw/zinc/26/89/10/485268910.db2.gz CLBGVRSKUTUCLF-SNVBAGLBSA-N 0 3 353.329 -0.641 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](CC[NH3+])C(F)(F)F)cn1C ZINC000567847711 485268512 /nfs/dbraw/zinc/26/85/12/485268512.db2.gz YEDVXLUIMULCPQ-MRVPVSSYSA-N 0 3 357.358 -0.597 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cn1C ZINC000567847712 485268209 /nfs/dbraw/zinc/26/82/09/485268209.db2.gz YEDVXLUIMULCPQ-QMMMGPOBSA-N 0 3 357.358 -0.597 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1=O ZINC000567858378 485268943 /nfs/dbraw/zinc/26/89/43/485268943.db2.gz KUBWSYKBMATWJV-HNNXBMFYSA-N 0 3 366.462 -0.610 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1=O ZINC000567858379 485268476 /nfs/dbraw/zinc/26/84/76/485268476.db2.gz KUBWSYKBMATWJV-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN CN1CCN(C(=O)NCC(=O)N2CCNCC2)C[C@@H]1Cc1ccccc1 ZINC000567871740 485270194 /nfs/dbraw/zinc/27/01/94/485270194.db2.gz KPILDGDUIHDQFH-KRWDZBQOSA-N 0 3 359.474 -0.014 20 0 FBADHN CN1CCN(C(=O)NCC(=O)N2CCNCC2)C[C@H]1Cc1ccccc1 ZINC000567871741 485269761 /nfs/dbraw/zinc/26/97/61/485269761.db2.gz KPILDGDUIHDQFH-QGZVFWFLSA-N 0 3 359.474 -0.014 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC(NC(N)=O)CC1 ZINC000567876144 485269946 /nfs/dbraw/zinc/26/99/46/485269946.db2.gz PELMPLVQYSVFMU-HNNXBMFYSA-N 0 3 359.430 -0.270 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC(NC(N)=O)CC1 ZINC000567876145 485269303 /nfs/dbraw/zinc/26/93/03/485269303.db2.gz PELMPLVQYSVFMU-OAHLLOKOSA-N 0 3 359.430 -0.270 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567880499 485270659 /nfs/dbraw/zinc/27/06/59/485270659.db2.gz IRNJALDOQJUHFS-GDBMZVCRSA-N 0 3 373.457 -0.009 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567880500 485270912 /nfs/dbraw/zinc/27/09/12/485270912.db2.gz IRNJALDOQJUHFS-GOEBONIOSA-N 0 3 373.457 -0.009 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567880501 485271289 /nfs/dbraw/zinc/27/12/89/485271289.db2.gz IRNJALDOQJUHFS-HOCLYGCPSA-N 0 3 373.457 -0.009 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567880502 485271180 /nfs/dbraw/zinc/27/11/80/485271180.db2.gz IRNJALDOQJUHFS-ZBFHGGJFSA-N 0 3 373.457 -0.009 20 0 FBADHN CNC(=O)[C@@H](CNC(=O)C(=O)N(C)CCN)Cc1ccc(OC)c(F)c1 ZINC000567880632 485270738 /nfs/dbraw/zinc/27/07/38/485270738.db2.gz KNSGBGKVKXBEOZ-GFCCVEGCSA-N 0 3 368.409 -0.728 20 0 FBADHN CNC(=O)[C@H](CNC(=O)C(=O)N(C)CCN)Cc1ccc(OC)c(F)c1 ZINC000567880633 485271101 /nfs/dbraw/zinc/27/11/01/485271101.db2.gz KNSGBGKVKXBEOZ-LBPRGKRZSA-N 0 3 368.409 -0.728 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000567880995 485270866 /nfs/dbraw/zinc/27/08/66/485270866.db2.gz QNYBSEADKWMTRU-AVGNSLFASA-N 0 3 362.434 -0.281 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000567880996 485271211 /nfs/dbraw/zinc/27/12/11/485271211.db2.gz QNYBSEADKWMTRU-RWMBFGLXSA-N 0 3 362.434 -0.281 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000567880997 485271358 /nfs/dbraw/zinc/27/13/58/485271358.db2.gz QNYBSEADKWMTRU-XQQFMLRXSA-N 0 3 362.434 -0.281 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000567880998 485270817 /nfs/dbraw/zinc/27/08/17/485270817.db2.gz QNYBSEADKWMTRU-YNEHKIRRSA-N 0 3 362.434 -0.281 20 0 FBADHN C[C@H](C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1CCN(C)CC1 ZINC000567885193 485271120 /nfs/dbraw/zinc/27/11/20/485271120.db2.gz ZKOCLQGFPNIZHD-CVEARBPZSA-N 0 3 351.495 -0.707 20 0 FBADHN C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1CCN(C)CC1 ZINC000567885194 485270801 /nfs/dbraw/zinc/27/08/01/485270801.db2.gz ZKOCLQGFPNIZHD-HOTGVXAUSA-N 0 3 351.495 -0.707 20 0 FBADHN C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CCN(C)CC1 ZINC000567885195 485270635 /nfs/dbraw/zinc/27/06/35/485270635.db2.gz ZKOCLQGFPNIZHD-HZPDHXFCSA-N 0 3 351.495 -0.707 20 0 FBADHN C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CCN(C)CC1 ZINC000567885196 485270654 /nfs/dbraw/zinc/27/06/54/485270654.db2.gz ZKOCLQGFPNIZHD-JKSUJKDBSA-N 0 3 351.495 -0.707 20 0 FBADHN Cc1nc(CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cs1 ZINC000567890234 485271879 /nfs/dbraw/zinc/27/18/79/485271879.db2.gz DYISNKZZXZATMU-UHFFFAOYSA-N 0 3 351.476 -0.082 20 0 FBADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000567899823 485272336 /nfs/dbraw/zinc/27/23/36/485272336.db2.gz YZHOOVZAJNUODR-AWEZNQCLSA-N 0 3 354.476 -0.317 20 0 FBADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000567899824 485271667 /nfs/dbraw/zinc/27/16/67/485271667.db2.gz YZHOOVZAJNUODR-CQSZACIVSA-N 0 3 354.476 -0.317 20 0 FBADHN CCN(CC)CCN(C(=O)[C@@H]1CC[C@H](CN)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000567913598 485273446 /nfs/dbraw/zinc/27/34/46/485273446.db2.gz KTXUZOUORNYAIH-KFWWJZLASA-N 0 3 361.508 -0.150 20 0 FBADHN CCN(CC)CCN(C(=O)[C@@H]1CC[C@H](CN)O1)[C@H]1CCS(=O)(=O)C1 ZINC000567913599 485272893 /nfs/dbraw/zinc/27/28/93/485272893.db2.gz KTXUZOUORNYAIH-ZNMIVQPWSA-N 0 3 361.508 -0.150 20 0 FBADHN CN(C)C(=O)COc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567916003 485273149 /nfs/dbraw/zinc/27/31/49/485273149.db2.gz FSJZXUQWBZLNQK-GXTWGEPZSA-N 0 3 360.414 -0.462 20 0 FBADHN CN(C)C(=O)COc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567916004 485273097 /nfs/dbraw/zinc/27/30/97/485273097.db2.gz FSJZXUQWBZLNQK-JSGCOSHPSA-N 0 3 360.414 -0.462 20 0 FBADHN CN(C)C(=O)COc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567916005 485273163 /nfs/dbraw/zinc/27/31/63/485273163.db2.gz FSJZXUQWBZLNQK-OCCSQVGLSA-N 0 3 360.414 -0.462 20 0 FBADHN CN(C)C(=O)COc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567916006 485273367 /nfs/dbraw/zinc/27/33/67/485273367.db2.gz FSJZXUQWBZLNQK-TZMCWYRMSA-N 0 3 360.414 -0.462 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)o1 ZINC000567916531 485272972 /nfs/dbraw/zinc/27/29/72/485272972.db2.gz XGQNURQMPXNBGQ-NXEZZACHSA-N 0 3 357.388 -0.693 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)o1 ZINC000567916532 485272820 /nfs/dbraw/zinc/27/28/20/485272820.db2.gz XGQNURQMPXNBGQ-UWVGGRQHSA-N 0 3 357.388 -0.693 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)o1 ZINC000567916533 485273298 /nfs/dbraw/zinc/27/32/98/485273298.db2.gz XGQNURQMPXNBGQ-VHSXEESVSA-N 0 3 357.388 -0.693 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)o1 ZINC000567916534 485273116 /nfs/dbraw/zinc/27/31/16/485273116.db2.gz XGQNURQMPXNBGQ-ZJUUUORDSA-N 0 3 357.388 -0.693 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000567924430 485272761 /nfs/dbraw/zinc/27/27/61/485272761.db2.gz DIOLGTBUKUDRPI-GOSISDBHSA-N 0 3 350.463 -0.037 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000567924431 485273316 /nfs/dbraw/zinc/27/33/16/485273316.db2.gz DIOLGTBUKUDRPI-SFHVURJKSA-N 0 3 350.463 -0.037 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000567971655 484352968 /nfs/dbraw/zinc/35/29/68/484352968.db2.gz DULYJUDXUKBZLJ-CYBMUJFWSA-N 0 3 362.478 0.378 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000567971656 484352845 /nfs/dbraw/zinc/35/28/45/484352845.db2.gz DULYJUDXUKBZLJ-ZDUSSCGKSA-N 0 3 362.478 0.378 20 0 FBADHN Cc1c(S(=O)(=O)N2CCN(C)C[C@H]2CN)cnn1-c1ccccn1 ZINC000567986907 485274986 /nfs/dbraw/zinc/27/49/86/485274986.db2.gz ISGOEDWBMOYRCP-CYBMUJFWSA-N 0 3 350.448 -0.161 20 0 FBADHN Cc1c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cnn1-c1ccccn1 ZINC000567986908 485275473 /nfs/dbraw/zinc/27/54/73/485275473.db2.gz ISGOEDWBMOYRCP-ZDUSSCGKSA-N 0 3 350.448 -0.161 20 0 FBADHN COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000567986972 485275354 /nfs/dbraw/zinc/27/53/54/485275354.db2.gz KVRQQLCMMHSMED-AWEZNQCLSA-N 0 3 370.475 -0.405 20 0 FBADHN COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000567986973 485275650 /nfs/dbraw/zinc/27/56/50/485275650.db2.gz KVRQQLCMMHSMED-CQSZACIVSA-N 0 3 370.475 -0.405 20 0 FBADHN NC(=O)Cn1cc(NC(=O)NC[C@H]2CCCCN2CCO)ccc1=O ZINC000568004050 485276525 /nfs/dbraw/zinc/27/65/25/485276525.db2.gz BYFUPHGDOUNWPW-CYBMUJFWSA-N 0 3 351.407 -0.698 20 0 FBADHN NC(=O)Cn1cc(NC(=O)NC[C@@H]2CCCCN2CCO)ccc1=O ZINC000568004051 485276644 /nfs/dbraw/zinc/27/66/44/485276644.db2.gz BYFUPHGDOUNWPW-ZDUSSCGKSA-N 0 3 351.407 -0.698 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000568014379 485276413 /nfs/dbraw/zinc/27/64/13/485276413.db2.gz OWZYSFZLPMKFGA-UHFFFAOYSA-N 0 3 364.402 -0.589 20 0 FBADHN NS(=O)(=O)CCCCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000568020878 485276470 /nfs/dbraw/zinc/27/64/70/485276470.db2.gz HUGASLYGYAWVIV-UHFFFAOYSA-N 0 3 374.507 -0.398 20 0 FBADHN CN(C)CCN(Cc1ccccn1)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000568021197 485276161 /nfs/dbraw/zinc/27/61/61/485276161.db2.gz MOFURZDXBYVJPL-UHFFFAOYSA-N 0 3 357.480 -0.290 20 0 FBADHN COc1cc(NC(=O)C(=O)NC(C)(CO)CO)ccc1OCCN(C)C ZINC000568034908 485277322 /nfs/dbraw/zinc/27/73/22/485277322.db2.gz DWBNRTLGMGFRLX-UHFFFAOYSA-N 0 3 369.418 -0.566 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NC(C)(CO)CO)cc1F ZINC000568035324 485277567 /nfs/dbraw/zinc/27/75/67/485277567.db2.gz ZQVXIKHIUGGAEI-UHFFFAOYSA-N 0 3 357.382 -0.436 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)NCC(=O)N2CCNCC2)[C@H]1c1ccccc1 ZINC000568059705 485279237 /nfs/dbraw/zinc/27/92/37/485279237.db2.gz BIBOGRBADBGUME-DOTOQJQBSA-N 0 3 373.457 -0.904 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CCNCC2)[C@H]1c1ccccc1 ZINC000568059708 485279823 /nfs/dbraw/zinc/27/98/23/485279823.db2.gz BIBOGRBADBGUME-NVXWUHKLSA-N 0 3 373.457 -0.904 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)NCC(=O)N2CCNCC2)[C@@H]1c1ccccc1 ZINC000568059709 485279718 /nfs/dbraw/zinc/27/97/18/485279718.db2.gz BIBOGRBADBGUME-RDJZCZTQSA-N 0 3 373.457 -0.904 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CCNCC2)[C@@H]1c1ccccc1 ZINC000568059710 485279994 /nfs/dbraw/zinc/27/99/94/485279994.db2.gz BIBOGRBADBGUME-WBVHZDCISA-N 0 3 373.457 -0.904 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@H]2CCCN(c3ccnn3C)C2=O)C[C@@H](C)O1 ZINC000568078247 485279417 /nfs/dbraw/zinc/27/94/17/485279417.db2.gz KYUDYZYJEAEOHF-FPCVCCKLSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(c3ccnn3C)C2=O)C[C@@H](C)O1 ZINC000568078248 485279978 /nfs/dbraw/zinc/27/99/78/485279978.db2.gz KYUDYZYJEAEOHF-KLHDSHLOSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(c3ccnn3C)C2=O)C[C@H](C)O1 ZINC000568078249 485279730 /nfs/dbraw/zinc/27/97/30/485279730.db2.gz KYUDYZYJEAEOHF-QKPAOTATSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@H]2CCCN(c3ccnn3C)C2=O)C[C@H](C)O1 ZINC000568078250 485279523 /nfs/dbraw/zinc/27/95/23/485279523.db2.gz KYUDYZYJEAEOHF-QXSJWSMHSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)NCCN(C)C ZINC000568105938 485280344 /nfs/dbraw/zinc/28/03/44/485280344.db2.gz CJPDCTMCRZOXPY-CORIIIEPSA-N 0 3 364.450 -0.878 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)NCCN(C)C ZINC000568105939 485281166 /nfs/dbraw/zinc/28/11/66/485281166.db2.gz CJPDCTMCRZOXPY-LNSITVRQSA-N 0 3 364.450 -0.878 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)NCCN(C)C ZINC000568105940 485280956 /nfs/dbraw/zinc/28/09/56/485280956.db2.gz CJPDCTMCRZOXPY-NJZAAPMLSA-N 0 3 364.450 -0.878 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)NCCN(C)C ZINC000568105941 485281191 /nfs/dbraw/zinc/28/11/91/485281191.db2.gz CJPDCTMCRZOXPY-WHOFXGATSA-N 0 3 364.450 -0.878 20 0 FBADHN COCCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nn1 ZINC000568106333 485281062 /nfs/dbraw/zinc/28/10/62/485281062.db2.gz OXKYJLZODRYHPU-CYBMUJFWSA-N 0 3 365.434 -0.472 20 0 FBADHN COCCOc1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)nn1 ZINC000568106334 485281156 /nfs/dbraw/zinc/28/11/56/485281156.db2.gz OXKYJLZODRYHPU-ZDUSSCGKSA-N 0 3 365.434 -0.472 20 0 FBADHN Cc1nc2n(n1)CCN(C(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C2 ZINC000568115822 485281527 /nfs/dbraw/zinc/28/15/27/485281527.db2.gz LHERSFZMKKWSQB-CYBMUJFWSA-N 0 3 364.450 -0.454 20 0 FBADHN Cc1nc2n(n1)CCN(C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C2 ZINC000568115825 485281979 /nfs/dbraw/zinc/28/19/79/485281979.db2.gz LHERSFZMKKWSQB-ZDUSSCGKSA-N 0 3 364.450 -0.454 20 0 FBADHN CCCN1CCCN(C(=O)C(=O)NCCCN(C)CCOC)CC1=O ZINC000568121003 485282159 /nfs/dbraw/zinc/28/21/59/485282159.db2.gz CQYDSTAWZWXJMX-UHFFFAOYSA-N 0 3 356.467 -0.458 20 0 FBADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C[C@H]2CNCCO2)C1 ZINC000568150930 485283696 /nfs/dbraw/zinc/28/36/96/485283696.db2.gz ZZTPAMQTXXCXIM-KBPBESRZSA-N 0 3 355.435 -0.375 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C[C@H]2CNCCO2)C1 ZINC000568150931 485283576 /nfs/dbraw/zinc/28/35/76/485283576.db2.gz ZZTPAMQTXXCXIM-KGLIPLIRSA-N 0 3 355.435 -0.375 20 0 FBADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C[C@@H]2CNCCO2)C1 ZINC000568150932 485283770 /nfs/dbraw/zinc/28/37/70/485283770.db2.gz ZZTPAMQTXXCXIM-UONOGXRCSA-N 0 3 355.435 -0.375 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C[C@@H]2CNCCO2)C1 ZINC000568150933 485283522 /nfs/dbraw/zinc/28/35/22/485283522.db2.gz ZZTPAMQTXXCXIM-ZIAGYGMSSA-N 0 3 355.435 -0.375 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000568161565 485283380 /nfs/dbraw/zinc/28/33/80/485283380.db2.gz DBHOXILSLTWDAN-UHFFFAOYSA-N 0 3 361.402 -0.995 20 0 FBADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000568175972 485283687 /nfs/dbraw/zinc/28/36/87/485283687.db2.gz MYWPNPBNHNZFSA-BFHYXJOUSA-N 0 3 359.492 -0.933 20 0 FBADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000568175973 485283599 /nfs/dbraw/zinc/28/35/99/485283599.db2.gz MYWPNPBNHNZFSA-HZSPNIEDSA-N 0 3 359.492 -0.933 20 0 FBADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000568175974 485283156 /nfs/dbraw/zinc/28/31/56/485283156.db2.gz MYWPNPBNHNZFSA-MELADBBJSA-N 0 3 359.492 -0.933 20 0 FBADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000568175975 485283704 /nfs/dbraw/zinc/28/37/04/485283704.db2.gz MYWPNPBNHNZFSA-MGPQQGTHSA-N 0 3 359.492 -0.933 20 0 FBADHN CN(C)CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccn1 ZINC000568176419 485283542 /nfs/dbraw/zinc/28/35/42/485283542.db2.gz ZJRGZUCVMGGCGB-UHFFFAOYSA-N 0 3 374.445 -0.692 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000568184803 485284384 /nfs/dbraw/zinc/28/43/84/485284384.db2.gz JFPOYJYMINNYLI-AWEZNQCLSA-N 0 3 362.478 -0.130 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000568184804 485284641 /nfs/dbraw/zinc/28/46/41/485284641.db2.gz JFPOYJYMINNYLI-CQSZACIVSA-N 0 3 362.478 -0.130 20 0 FBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000568184877 485284489 /nfs/dbraw/zinc/28/44/89/485284489.db2.gz MCKNXKLZQVSZNZ-UHFFFAOYSA-N 0 3 364.450 -0.746 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000568185695 485284412 /nfs/dbraw/zinc/28/44/12/485284412.db2.gz FUTCHYPFALRYOM-CYBMUJFWSA-N 0 3 357.480 -0.011 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)n1 ZINC000568185696 485284623 /nfs/dbraw/zinc/28/46/23/485284623.db2.gz FUTCHYPFALRYOM-ZDUSSCGKSA-N 0 3 357.480 -0.011 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000568186192 485285048 /nfs/dbraw/zinc/28/50/48/485285048.db2.gz WXGFLCNQEYFKBD-UHFFFAOYSA-N 0 3 362.478 -0.175 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000568190640 485285176 /nfs/dbraw/zinc/28/51/76/485285176.db2.gz LDWOHPSJXLWHSE-UHFFFAOYSA-N 0 3 362.478 -0.175 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)n1 ZINC000568190903 485285086 /nfs/dbraw/zinc/28/50/86/485285086.db2.gz SONQWEZVWTWTIC-UHFFFAOYSA-N 0 3 350.467 -0.273 20 0 FBADHN CN(C)CCn1ccc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)n1 ZINC000568192507 485284313 /nfs/dbraw/zinc/28/43/13/485284313.db2.gz MXDFDQILVMQKDJ-UHFFFAOYSA-N 0 3 358.402 -0.088 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2Cc3ccccc3NC(=O)C2)n1 ZINC000568202209 484100160 /nfs/dbraw/zinc/10/01/60/484100160.db2.gz GSPVGCNHPDKCPW-UHFFFAOYSA-N 0 3 370.413 0.364 20 0 FBADHN O=C(NC[C@]1(O)CN2CCC1CC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000568211864 485285225 /nfs/dbraw/zinc/28/52/25/485285225.db2.gz LWNNFPKPWVDUHV-FQEVSTJZSA-N 0 3 372.469 -0.092 20 0 FBADHN O=C(NC[C@@]1(O)CN2CCC1CC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000568211865 485284361 /nfs/dbraw/zinc/28/43/61/485284361.db2.gz LWNNFPKPWVDUHV-HXUWFJFHSA-N 0 3 372.469 -0.092 20 0 FBADHN C[C@@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)NCCN(C)C ZINC000568221977 485285536 /nfs/dbraw/zinc/28/55/36/485285536.db2.gz GTFLAHHCJJVVKU-GFCCVEGCSA-N 0 3 359.430 -0.077 20 0 FBADHN C[C@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)C(=O)NCCN(C)C ZINC000568221982 485286390 /nfs/dbraw/zinc/28/63/90/485286390.db2.gz GTFLAHHCJJVVKU-LBPRGKRZSA-N 0 3 359.430 -0.077 20 0 FBADHN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)NCCN(C)C ZINC000568222688 485285924 /nfs/dbraw/zinc/28/59/24/485285924.db2.gz ZNUJKGMTNIKEJY-JTQLQIEISA-N 0 3 361.402 -0.835 20 0 FBADHN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)NCCN(C)C ZINC000568222689 485285455 /nfs/dbraw/zinc/28/54/55/485285455.db2.gz ZNUJKGMTNIKEJY-SNVBAGLBSA-N 0 3 361.402 -0.835 20 0 FBADHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(=O)N2CCNCC2)C1 ZINC000568234839 485285887 /nfs/dbraw/zinc/28/58/87/485285887.db2.gz YIIHJDSNNZIAAH-AWEZNQCLSA-N 0 3 367.494 -0.839 20 0 FBADHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(=O)N2CCNCC2)C1 ZINC000568234840 485285661 /nfs/dbraw/zinc/28/56/61/485285661.db2.gz YIIHJDSNNZIAAH-CQSZACIVSA-N 0 3 367.494 -0.839 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000568239844 485285601 /nfs/dbraw/zinc/28/56/01/485285601.db2.gz TWRBTCRZOLRAGH-AWEZNQCLSA-N 0 3 367.494 -0.744 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000568239845 485285820 /nfs/dbraw/zinc/28/58/20/485285820.db2.gz TWRBTCRZOLRAGH-CQSZACIVSA-N 0 3 367.494 -0.744 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000568243404 485285744 /nfs/dbraw/zinc/28/57/44/485285744.db2.gz YTNBGEOSNDKEPH-JHNDHUHGSA-N 0 3 364.490 -0.236 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000568243405 485286351 /nfs/dbraw/zinc/28/63/51/485286351.db2.gz YTNBGEOSNDKEPH-OHFALNGGSA-N 0 3 364.490 -0.236 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000568243406 485286275 /nfs/dbraw/zinc/28/62/75/485286275.db2.gz YTNBGEOSNDKEPH-TXCZRRACSA-N 0 3 364.490 -0.236 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000568243407 485286089 /nfs/dbraw/zinc/28/60/89/485286089.db2.gz YTNBGEOSNDKEPH-YQFWSFKMSA-N 0 3 364.490 -0.236 20 0 FBADHN COCCN(C)C[C@H](O)Cn1cnc2c(cnn2-c2ccncc2)c1=O ZINC000568247274 485285513 /nfs/dbraw/zinc/28/55/13/485285513.db2.gz HNSLDASCVZGTLR-AWEZNQCLSA-N 0 3 358.402 -0.084 20 0 FBADHN COCCN(C)C[C@@H](O)Cn1cnc2c(cnn2-c2ccncc2)c1=O ZINC000568247275 485285972 /nfs/dbraw/zinc/28/59/72/485285972.db2.gz HNSLDASCVZGTLR-CQSZACIVSA-N 0 3 358.402 -0.084 20 0 FBADHN COCCN(C)C[C@H](O)Cn1cnc2c(nnn2-c2ccccc2)c1=O ZINC000568247822 485285913 /nfs/dbraw/zinc/28/59/13/485285913.db2.gz YJHDYWMBFPSUDE-AWEZNQCLSA-N 0 3 358.402 -0.084 20 0 FBADHN COCCN(C)C[C@@H](O)Cn1cnc2c(nnn2-c2ccccc2)c1=O ZINC000568247823 485286299 /nfs/dbraw/zinc/28/62/99/485286299.db2.gz YJHDYWMBFPSUDE-CQSZACIVSA-N 0 3 358.402 -0.084 20 0 FBADHN COc1cc2nc(N3CCN4C(=O)[C@H](N)C[C@H]4C3)nc(N)c2cc1OC ZINC000568257719 484529626 /nfs/dbraw/zinc/52/96/26/484529626.db2.gz WCCMIEWRXHHJAS-GXSJLCMTSA-N 0 3 358.402 -0.023 20 0 FBADHN COc1cc2nc(N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)nc(N)c2cc1OC ZINC000568257720 484529449 /nfs/dbraw/zinc/52/94/49/484529449.db2.gz WCCMIEWRXHHJAS-KOLCDFICSA-N 0 3 358.402 -0.023 20 0 FBADHN COc1cc2nc(N3CCN4C(=O)[C@H](N)C[C@@H]4C3)nc(N)c2cc1OC ZINC000568257721 484529598 /nfs/dbraw/zinc/52/95/98/484529598.db2.gz WCCMIEWRXHHJAS-MWLCHTKSSA-N 0 3 358.402 -0.023 20 0 FBADHN COc1cc2nc(N3CCN4C(=O)[C@@H](N)C[C@H]4C3)nc(N)c2cc1OC ZINC000568257722 484529027 /nfs/dbraw/zinc/52/90/27/484529027.db2.gz WCCMIEWRXHHJAS-ONGXEEELSA-N 0 3 358.402 -0.023 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000568267068 485288562 /nfs/dbraw/zinc/28/85/62/485288562.db2.gz AMKYITMMBZGARL-CVEARBPZSA-N 0 3 371.441 -0.475 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000568267069 485288207 /nfs/dbraw/zinc/28/82/07/485288207.db2.gz AMKYITMMBZGARL-HOTGVXAUSA-N 0 3 371.441 -0.475 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000568267070 485287871 /nfs/dbraw/zinc/28/78/71/485287871.db2.gz AMKYITMMBZGARL-HZPDHXFCSA-N 0 3 371.441 -0.475 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000568267071 485288444 /nfs/dbraw/zinc/28/84/44/485288444.db2.gz AMKYITMMBZGARL-JKSUJKDBSA-N 0 3 371.441 -0.475 20 0 FBADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568267110 485288337 /nfs/dbraw/zinc/28/83/37/485288337.db2.gz AZVCCGSNARMWOC-MQYQWHSLSA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568267111 485287913 /nfs/dbraw/zinc/28/79/13/485287913.db2.gz AZVCCGSNARMWOC-RFGFWPKPSA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568267112 485287805 /nfs/dbraw/zinc/28/78/05/485287805.db2.gz AZVCCGSNARMWOC-RQJABVFESA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568267113 485288249 /nfs/dbraw/zinc/28/82/49/485288249.db2.gz AZVCCGSNARMWOC-SYQHCUMBSA-N 0 3 351.451 -0.365 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000568267233 485288587 /nfs/dbraw/zinc/28/85/87/485288587.db2.gz CPOSLIXPZZZAPF-GXSJLCMTSA-N 0 3 370.387 -0.464 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000568267234 485287856 /nfs/dbraw/zinc/28/78/56/485287856.db2.gz CPOSLIXPZZZAPF-KOLCDFICSA-N 0 3 370.387 -0.464 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000568267235 485287936 /nfs/dbraw/zinc/28/79/36/485287936.db2.gz CPOSLIXPZZZAPF-MWLCHTKSSA-N 0 3 370.387 -0.464 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000568267236 485288032 /nfs/dbraw/zinc/28/80/32/485288032.db2.gz CPOSLIXPZZZAPF-ONGXEEELSA-N 0 3 370.387 -0.464 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(F)cc4)C3=O)CCN2C1=O ZINC000568267333 485288409 /nfs/dbraw/zinc/28/84/09/485288409.db2.gz DVOISUKZIVWHOO-QLFBSQMISA-N 0 3 360.389 -0.051 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)CCN2C1=O ZINC000568267334 485288003 /nfs/dbraw/zinc/28/80/03/485288003.db2.gz DVOISUKZIVWHOO-RBSFLKMASA-N 0 3 360.389 -0.051 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)CCN2C1=O ZINC000568267335 485287743 /nfs/dbraw/zinc/28/77/43/485287743.db2.gz DVOISUKZIVWHOO-RRFJBIMHSA-N 0 3 360.389 -0.051 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCN(c4ccc(F)cc4)C3=O)CCN2C1=O ZINC000568267336 485288570 /nfs/dbraw/zinc/28/85/70/485288570.db2.gz DVOISUKZIVWHOO-SOUVJXGZSA-N 0 3 360.389 -0.051 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568267447 485288594 /nfs/dbraw/zinc/28/85/94/485288594.db2.gz GTIODCLORVUBGO-CHWSQXEVSA-N 0 3 368.415 -0.289 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568267448 485288551 /nfs/dbraw/zinc/28/85/51/485288551.db2.gz GTIODCLORVUBGO-OLZOCXBDSA-N 0 3 368.415 -0.289 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568267449 485288096 /nfs/dbraw/zinc/28/80/96/485288096.db2.gz GTIODCLORVUBGO-QWHCGFSZSA-N 0 3 368.415 -0.289 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000568267450 485288713 /nfs/dbraw/zinc/28/87/13/485288713.db2.gz GTIODCLORVUBGO-STQMWFEESA-N 0 3 368.415 -0.289 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000568267505 485288624 /nfs/dbraw/zinc/28/86/24/485288624.db2.gz HUJGQYGSLFEVRS-GXSJLCMTSA-N 0 3 362.342 -0.250 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000568267506 485288693 /nfs/dbraw/zinc/28/86/93/485288693.db2.gz HUJGQYGSLFEVRS-KOLCDFICSA-N 0 3 362.342 -0.250 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000568267507 485288364 /nfs/dbraw/zinc/28/83/64/485288364.db2.gz HUJGQYGSLFEVRS-MWLCHTKSSA-N 0 3 362.342 -0.250 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000568267508 485287952 /nfs/dbraw/zinc/28/79/52/485287952.db2.gz HUJGQYGSLFEVRS-ONGXEEELSA-N 0 3 362.342 -0.250 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCN2C1=O ZINC000568267578 485287816 /nfs/dbraw/zinc/28/78/16/485287816.db2.gz JAHDXASCODVKCI-HTQZYQBOSA-N 0 3 364.221 -0.025 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCN2C1=O ZINC000568267579 485288599 /nfs/dbraw/zinc/28/85/99/485288599.db2.gz JAHDXASCODVKCI-JGVFFNPUSA-N 0 3 364.221 -0.025 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCN2C1=O ZINC000568267580 485288469 /nfs/dbraw/zinc/28/84/69/485288469.db2.gz JAHDXASCODVKCI-SFYZADRCSA-N 0 3 364.221 -0.025 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCN2C1=O ZINC000568267581 485287674 /nfs/dbraw/zinc/28/76/74/485287674.db2.gz JAHDXASCODVKCI-YUMQZZPRSA-N 0 3 364.221 -0.025 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NCCCOc3ccccc3F)CCN2C1=O ZINC000568267646 485288289 /nfs/dbraw/zinc/28/82/89/485288289.db2.gz KFQKFUNALLSMGJ-DZGCQCFKSA-N 0 3 364.421 -0.045 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)NCCCOc3ccccc3F)CCN2C1=O ZINC000568267647 485288662 /nfs/dbraw/zinc/28/86/62/485288662.db2.gz KFQKFUNALLSMGJ-HIFRSBDPSA-N 0 3 364.421 -0.045 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCCCOc3ccccc3F)CCN2C1=O ZINC000568267648 485288159 /nfs/dbraw/zinc/28/81/59/485288159.db2.gz KFQKFUNALLSMGJ-UKRRQHHQSA-N 0 3 364.421 -0.045 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)NCCCOc3ccccc3F)CCN2C1=O ZINC000568267649 485288130 /nfs/dbraw/zinc/28/81/30/485288130.db2.gz KFQKFUNALLSMGJ-ZFWWWQNUSA-N 0 3 364.421 -0.045 20 0 FBADHN CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000568267692 485288083 /nfs/dbraw/zinc/28/80/83/485288083.db2.gz LENGEFPIVKLFIP-KBPBESRZSA-N 0 3 366.443 -0.114 20 0 FBADHN CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000568267693 485288374 /nfs/dbraw/zinc/28/83/74/485288374.db2.gz LENGEFPIVKLFIP-KGLIPLIRSA-N 0 3 366.443 -0.114 20 0 FBADHN CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000568267694 485289623 /nfs/dbraw/zinc/28/96/23/485289623.db2.gz LENGEFPIVKLFIP-UONOGXRCSA-N 0 3 366.443 -0.114 20 0 FBADHN CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000568267695 485289278 /nfs/dbraw/zinc/28/92/78/485289278.db2.gz LENGEFPIVKLFIP-ZIAGYGMSSA-N 0 3 366.443 -0.114 20 0 FBADHN COC(=O)c1ccccc1N(C)C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568268310 485289686 /nfs/dbraw/zinc/28/96/86/485289686.db2.gz UVTGLADIQFQKQT-GXTWGEPZSA-N 0 3 360.414 -0.320 20 0 FBADHN COC(=O)c1ccccc1N(C)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568268311 485289953 /nfs/dbraw/zinc/28/99/53/485289953.db2.gz UVTGLADIQFQKQT-JSGCOSHPSA-N 0 3 360.414 -0.320 20 0 FBADHN COC(=O)c1ccccc1N(C)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568268312 485289868 /nfs/dbraw/zinc/28/98/68/485289868.db2.gz UVTGLADIQFQKQT-OCCSQVGLSA-N 0 3 360.414 -0.320 20 0 FBADHN COC(=O)c1ccccc1N(C)C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568268313 485289839 /nfs/dbraw/zinc/28/98/39/485289839.db2.gz UVTGLADIQFQKQT-TZMCWYRMSA-N 0 3 360.414 -0.320 20 0 FBADHN N[C@H]1C[C@@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268498 485289824 /nfs/dbraw/zinc/28/98/24/485289824.db2.gz YLXAWWBNUYSNSF-BDAKNGLRSA-N 0 3 351.329 -0.992 20 0 FBADHN N[C@@H]1C[C@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268499 485289264 /nfs/dbraw/zinc/28/92/64/485289264.db2.gz YLXAWWBNUYSNSF-DTWKUNHWSA-N 0 3 351.329 -0.992 20 0 FBADHN N[C@H]1C[C@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268500 485289534 /nfs/dbraw/zinc/28/95/34/485289534.db2.gz YLXAWWBNUYSNSF-IUCAKERBSA-N 0 3 351.329 -0.992 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)CCN2C1=O ZINC000568268501 485289314 /nfs/dbraw/zinc/28/93/14/485289314.db2.gz YLXAWWBNUYSNSF-RKDXNWHRSA-N 0 3 351.329 -0.992 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CCN2C1=O ZINC000568268536 485289738 /nfs/dbraw/zinc/28/97/38/485289738.db2.gz ZDCQZPXIZKWHID-CMPLNLGQSA-N 0 3 362.342 -0.250 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CCN2C1=O ZINC000568268537 485289342 /nfs/dbraw/zinc/28/93/42/485289342.db2.gz ZDCQZPXIZKWHID-JQWIXIFHSA-N 0 3 362.342 -0.250 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CCN2C1=O ZINC000568268538 485289069 /nfs/dbraw/zinc/28/90/69/485289069.db2.gz ZDCQZPXIZKWHID-PWSUYJOCSA-N 0 3 362.342 -0.250 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CCN2C1=O ZINC000568268539 485289844 /nfs/dbraw/zinc/28/98/44/485289844.db2.gz ZDCQZPXIZKWHID-ZYHUDNBSSA-N 0 3 362.342 -0.250 20 0 FBADHN Cn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H]3CNCCO3)cc(C3CC3)nc21 ZINC000568274494 485289607 /nfs/dbraw/zinc/28/96/07/485289607.db2.gz GURLJZPQSOPTJC-JTQLQIEISA-N 0 3 359.386 -0.370 20 0 FBADHN Cn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@H]3CNCCO3)cc(C3CC3)nc21 ZINC000568274495 485289107 /nfs/dbraw/zinc/28/91/07/485289107.db2.gz GURLJZPQSOPTJC-SNVBAGLBSA-N 0 3 359.386 -0.370 20 0 FBADHN CNC(=O)c1ccc(OC)c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000568282216 485289551 /nfs/dbraw/zinc/28/95/51/485289551.db2.gz RGBZGVJCXSRXOF-NEPJUHHUSA-N 0 3 361.402 -0.170 20 0 FBADHN CNC(=O)c1ccc(OC)c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000568282217 485289725 /nfs/dbraw/zinc/28/97/25/485289725.db2.gz RGBZGVJCXSRXOF-NWDGAFQWSA-N 0 3 361.402 -0.170 20 0 FBADHN CNC(=O)c1ccc(OC)c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000568282218 485289910 /nfs/dbraw/zinc/28/99/10/485289910.db2.gz RGBZGVJCXSRXOF-RYUDHWBXSA-N 0 3 361.402 -0.170 20 0 FBADHN CNC(=O)c1ccc(OC)c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000568282219 485289804 /nfs/dbraw/zinc/28/98/04/485289804.db2.gz RGBZGVJCXSRXOF-VXGBXAGGSA-N 0 3 361.402 -0.170 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4cccnc43)CCN2C1=O ZINC000568283210 485289221 /nfs/dbraw/zinc/28/92/21/485289221.db2.gz HTALFRRPZKUEBV-CHWSQXEVSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc4cccnc43)CCN2C1=O ZINC000568283211 485289786 /nfs/dbraw/zinc/28/97/86/485289786.db2.gz HTALFRRPZKUEBV-OLZOCXBDSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4cccnc43)CCN2C1=O ZINC000568283212 485289968 /nfs/dbraw/zinc/28/99/68/485289968.db2.gz HTALFRRPZKUEBV-QWHCGFSZSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc4cccnc43)CCN2C1=O ZINC000568283213 485289976 /nfs/dbraw/zinc/28/99/76/485289976.db2.gz HTALFRRPZKUEBV-STQMWFEESA-N 0 3 353.382 -0.056 20 0 FBADHN COC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568283236 485289182 /nfs/dbraw/zinc/28/91/82/485289182.db2.gz ILOOVYNYIQFNNR-CMPLNLGQSA-N 0 3 360.370 -0.818 20 0 FBADHN COC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568283237 485289669 /nfs/dbraw/zinc/28/96/69/485289669.db2.gz ILOOVYNYIQFNNR-JQWIXIFHSA-N 0 3 360.370 -0.818 20 0 FBADHN COC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568283238 485289959 /nfs/dbraw/zinc/28/99/59/485289959.db2.gz ILOOVYNYIQFNNR-PWSUYJOCSA-N 0 3 360.370 -0.818 20 0 FBADHN COC(=O)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568283239 485289904 /nfs/dbraw/zinc/28/99/04/485289904.db2.gz ILOOVYNYIQFNNR-ZYHUDNBSSA-N 0 3 360.370 -0.818 20 0 FBADHN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568283256 485289760 /nfs/dbraw/zinc/28/97/60/485289760.db2.gz ISVRLVJAQIOHRZ-NEPJUHHUSA-N 0 3 357.370 -0.724 20 0 FBADHN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568283257 485289152 /nfs/dbraw/zinc/28/91/52/485289152.db2.gz ISVRLVJAQIOHRZ-NWDGAFQWSA-N 0 3 357.370 -0.724 20 0 FBADHN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568283258 485289430 /nfs/dbraw/zinc/28/94/30/485289430.db2.gz ISVRLVJAQIOHRZ-RYUDHWBXSA-N 0 3 357.370 -0.724 20 0 FBADHN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568283259 485289596 /nfs/dbraw/zinc/28/95/96/485289596.db2.gz ISVRLVJAQIOHRZ-VXGBXAGGSA-N 0 3 357.370 -0.724 20 0 FBADHN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568283359 485289914 /nfs/dbraw/zinc/28/99/14/485289914.db2.gz LEXLSJIKQIRYOO-CHWSQXEVSA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568283360 485289443 /nfs/dbraw/zinc/28/94/43/485289443.db2.gz LEXLSJIKQIRYOO-OLZOCXBDSA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568283361 485289582 /nfs/dbraw/zinc/28/95/82/485289582.db2.gz LEXLSJIKQIRYOO-QWHCGFSZSA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568283362 485289935 /nfs/dbraw/zinc/28/99/35/485289935.db2.gz LEXLSJIKQIRYOO-STQMWFEESA-N 0 3 373.413 -0.622 20 0 FBADHN Cn1ccc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c21 ZINC000568283525 485289136 /nfs/dbraw/zinc/28/91/36/485289136.db2.gz QMQLGNQCEIBCDL-CHWSQXEVSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c21 ZINC000568283526 485289093 /nfs/dbraw/zinc/28/90/93/485289093.db2.gz QMQLGNQCEIBCDL-OLZOCXBDSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c21 ZINC000568283527 485289658 /nfs/dbraw/zinc/28/96/58/485289658.db2.gz QMQLGNQCEIBCDL-QWHCGFSZSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c21 ZINC000568283528 485289364 /nfs/dbraw/zinc/28/93/64/485289364.db2.gz QMQLGNQCEIBCDL-STQMWFEESA-N 0 3 355.398 -0.113 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(F)c3F)CCN2C1=O ZINC000568283559 485289796 /nfs/dbraw/zinc/28/97/96/485289796.db2.gz RIFYQOGNLANICM-APPZFPTMSA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(F)c3F)CCN2C1=O ZINC000568283560 485289894 /nfs/dbraw/zinc/28/98/94/485289894.db2.gz RIFYQOGNLANICM-CBAPKCEASA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(F)c3F)CCN2C1=O ZINC000568283561 485289711 /nfs/dbraw/zinc/28/97/11/485289711.db2.gz RIFYQOGNLANICM-IONNQARKSA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(F)c3F)CCN2C1=O ZINC000568283562 485289194 /nfs/dbraw/zinc/28/91/94/485289194.db2.gz RIFYQOGNLANICM-VXNVDRBHSA-N 0 3 356.304 -0.187 20 0 FBADHN Cc1cc(N(C)C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568283696 485289702 /nfs/dbraw/zinc/28/97/02/485289702.db2.gz WXHBDUIBEWPOOM-KBPBESRZSA-N 0 3 359.430 -0.230 20 0 FBADHN Cc1cc(N(C)C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568283697 485289878 /nfs/dbraw/zinc/28/98/78/485289878.db2.gz WXHBDUIBEWPOOM-KGLIPLIRSA-N 0 3 359.430 -0.230 20 0 FBADHN Cc1cc(N(C)C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568283698 485289170 /nfs/dbraw/zinc/28/91/70/485289170.db2.gz WXHBDUIBEWPOOM-UONOGXRCSA-N 0 3 359.430 -0.230 20 0 FBADHN Cc1cc(N(C)C)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568283699 485290467 /nfs/dbraw/zinc/29/04/67/485290467.db2.gz WXHBDUIBEWPOOM-ZIAGYGMSSA-N 0 3 359.430 -0.230 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000568286906 485291207 /nfs/dbraw/zinc/29/12/07/485291207.db2.gz KBANNSFSXHQGIN-KBPBESRZSA-N 0 3 360.414 -0.046 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000568286907 485290385 /nfs/dbraw/zinc/29/03/85/485290385.db2.gz KBANNSFSXHQGIN-KGLIPLIRSA-N 0 3 360.414 -0.046 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000568286908 485290676 /nfs/dbraw/zinc/29/06/76/485290676.db2.gz KBANNSFSXHQGIN-UONOGXRCSA-N 0 3 360.414 -0.046 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000568286909 485290797 /nfs/dbraw/zinc/29/07/97/485290797.db2.gz KBANNSFSXHQGIN-ZIAGYGMSSA-N 0 3 360.414 -0.046 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3nc(-c4ccccn4)n[nH]3)CCN2C1=O ZINC000568287748 485290876 /nfs/dbraw/zinc/29/08/76/485290876.db2.gz IZWOPIZBVNIBKS-GHMZBOCLSA-N 0 3 356.390 -0.680 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3nc(-c4ccccn4)n[nH]3)CCN2C1=O ZINC000568287749 485290785 /nfs/dbraw/zinc/29/07/85/485290785.db2.gz IZWOPIZBVNIBKS-MNOVXSKESA-N 0 3 356.390 -0.680 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3nc(-c4ccccn4)n[nH]3)CCN2C1=O ZINC000568287750 485291170 /nfs/dbraw/zinc/29/11/70/485291170.db2.gz IZWOPIZBVNIBKS-QWRGUYRKSA-N 0 3 356.390 -0.680 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3nc(-c4ccccn4)n[nH]3)CCN2C1=O ZINC000568287751 485290650 /nfs/dbraw/zinc/29/06/50/485290650.db2.gz IZWOPIZBVNIBKS-WDEREUQCSA-N 0 3 356.390 -0.680 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ncc(C(F)(F)F)cn3)CCN2C1=O ZINC000568287940 485291081 /nfs/dbraw/zinc/29/10/81/485291081.db2.gz PSBVTKXILUULFT-NXEZZACHSA-N 0 3 358.324 -0.051 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ncc(C(F)(F)F)cn3)CCN2C1=O ZINC000568287941 485290370 /nfs/dbraw/zinc/29/03/70/485290370.db2.gz PSBVTKXILUULFT-UWVGGRQHSA-N 0 3 358.324 -0.051 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ncc(C(F)(F)F)cn3)CCN2C1=O ZINC000568287942 485290758 /nfs/dbraw/zinc/29/07/58/485290758.db2.gz PSBVTKXILUULFT-VHSXEESVSA-N 0 3 358.324 -0.051 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ncc(C(F)(F)F)cn3)CCN2C1=O ZINC000568287943 485291242 /nfs/dbraw/zinc/29/12/42/485291242.db2.gz PSBVTKXILUULFT-ZJUUUORDSA-N 0 3 358.324 -0.051 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc(F)c(F)c3)CCN2C1=O ZINC000568292186 485290740 /nfs/dbraw/zinc/29/07/40/485290740.db2.gz GXRBPZVIKMZMBS-BXUZGUMPSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc(F)c(F)c3)CCN2C1=O ZINC000568292187 485290843 /nfs/dbraw/zinc/29/08/43/485290843.db2.gz GXRBPZVIKMZMBS-FZMZJTMJSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc(F)c(F)c3)CCN2C1=O ZINC000568292188 485290670 /nfs/dbraw/zinc/29/06/70/485290670.db2.gz GXRBPZVIKMZMBS-RISCZKNCSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc(F)c(F)c3)CCN2C1=O ZINC000568292189 485290578 /nfs/dbraw/zinc/29/05/78/485290578.db2.gz GXRBPZVIKMZMBS-SMDDNHRTSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3)CCN2C1=O ZINC000568292197 485290661 /nfs/dbraw/zinc/29/06/61/485290661.db2.gz HCAMJJFIOQVUTQ-KBPBESRZSA-N 0 3 364.833 -0.231 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3)CCN2C1=O ZINC000568292198 485290420 /nfs/dbraw/zinc/29/04/20/485290420.db2.gz HCAMJJFIOQVUTQ-KGLIPLIRSA-N 0 3 364.833 -0.231 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3)CCN2C1=O ZINC000568292199 485290990 /nfs/dbraw/zinc/29/09/90/485290990.db2.gz HCAMJJFIOQVUTQ-UONOGXRCSA-N 0 3 364.833 -0.231 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3)CCN2C1=O ZINC000568292200 485290925 /nfs/dbraw/zinc/29/09/25/485290925.db2.gz HCAMJJFIOQVUTQ-ZIAGYGMSSA-N 0 3 364.833 -0.231 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3nc4ccccc4s3)CCN2C1=O ZINC000568292352 485291010 /nfs/dbraw/zinc/29/10/10/485291010.db2.gz KWJHTIQGGQPCCA-GHMZBOCLSA-N 0 3 373.438 -0.317 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3nc4ccccc4s3)CCN2C1=O ZINC000568292353 485291194 /nfs/dbraw/zinc/29/11/94/485291194.db2.gz KWJHTIQGGQPCCA-MNOVXSKESA-N 0 3 373.438 -0.317 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3nc4ccccc4s3)CCN2C1=O ZINC000568292354 485290820 /nfs/dbraw/zinc/29/08/20/485290820.db2.gz KWJHTIQGGQPCCA-QWRGUYRKSA-N 0 3 373.438 -0.317 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3nc4ccccc4s3)CCN2C1=O ZINC000568292355 485291021 /nfs/dbraw/zinc/29/10/21/485291021.db2.gz KWJHTIQGGQPCCA-WDEREUQCSA-N 0 3 373.438 -0.317 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCO[C@H]3c3ccccc3)CCN2C1=O ZINC000568292494 485290868 /nfs/dbraw/zinc/29/08/68/485290868.db2.gz OEPMTNGSXLIBTJ-FPCVCCKLSA-N 0 3 372.425 -0.597 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCO[C@@H]3c3ccccc3)CCN2C1=O ZINC000568292495 485290772 /nfs/dbraw/zinc/29/07/72/485290772.db2.gz OEPMTNGSXLIBTJ-KLHDSHLOSA-N 0 3 372.425 -0.597 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCO[C@@H]3c3ccccc3)CCN2C1=O ZINC000568292496 485291036 /nfs/dbraw/zinc/29/10/36/485291036.db2.gz OEPMTNGSXLIBTJ-LVQVYYBASA-N 0 3 372.425 -0.597 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCO[C@H]3c3ccccc3)CCN2C1=O ZINC000568292497 485290699 /nfs/dbraw/zinc/29/06/99/485290699.db2.gz OEPMTNGSXLIBTJ-WCVJEAGWSA-N 0 3 372.425 -0.597 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CO2 ZINC000568292560 485291046 /nfs/dbraw/zinc/29/10/46/485291046.db2.gz QGWLWKVMQOMUHR-FPMFFAJLSA-N 0 3 358.398 -0.685 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CO2 ZINC000568292561 485290746 /nfs/dbraw/zinc/29/07/46/485290746.db2.gz QGWLWKVMQOMUHR-IACUBPJLSA-N 0 3 358.398 -0.685 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CO2 ZINC000568292562 485290899 /nfs/dbraw/zinc/29/08/99/485290899.db2.gz QGWLWKVMQOMUHR-KWCYVHTRSA-N 0 3 358.398 -0.685 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CO2 ZINC000568292563 485290778 /nfs/dbraw/zinc/29/07/78/485290778.db2.gz QGWLWKVMQOMUHR-MRVWCRGKSA-N 0 3 358.398 -0.685 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H](Cc3ccccc3)C3CC3)CCN2C1=O ZINC000568292579 485290431 /nfs/dbraw/zinc/29/04/31/485290431.db2.gz QRNGDBYLGAUBNR-BBWFWOEESA-N 0 3 370.453 -0.106 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H](Cc3ccccc3)C3CC3)CCN2C1=O ZINC000568292580 485290407 /nfs/dbraw/zinc/29/04/07/485290407.db2.gz QRNGDBYLGAUBNR-BRWVUGGUSA-N 0 3 370.453 -0.106 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H](Cc3ccccc3)C3CC3)CCN2C1=O ZINC000568292581 485290732 /nfs/dbraw/zinc/29/07/32/485290732.db2.gz QRNGDBYLGAUBNR-GVDBMIGSSA-N 0 3 370.453 -0.106 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H](Cc3ccccc3)C3CC3)CCN2C1=O ZINC000568292582 485290507 /nfs/dbraw/zinc/29/05/07/485290507.db2.gz QRNGDBYLGAUBNR-ZACQAIPSSA-N 0 3 370.453 -0.106 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nc(C)cs1 ZINC000568292621 485290458 /nfs/dbraw/zinc/29/04/58/485290458.db2.gz RTQVFWMKMHKUQX-SRVKXCTJSA-N 0 3 365.459 -0.211 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nc(C)cs1 ZINC000568292622 485290885 /nfs/dbraw/zinc/29/08/85/485290885.db2.gz RTQVFWMKMHKUQX-TUAOUCFPSA-N 0 3 365.459 -0.211 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nc(C)cs1 ZINC000568292623 485290636 /nfs/dbraw/zinc/29/06/36/485290636.db2.gz RTQVFWMKMHKUQX-UTUOFQBUSA-N 0 3 365.459 -0.211 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1nc(C)cs1 ZINC000568292624 485290826 /nfs/dbraw/zinc/29/08/26/485290826.db2.gz RTQVFWMKMHKUQX-WOPDTQHZSA-N 0 3 365.459 -0.211 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cc(F)ccc3F)CCN2C1=O ZINC000568292678 485290858 /nfs/dbraw/zinc/29/08/58/485290858.db2.gz SYLJAVJUELNIPA-GXTWGEPZSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cc(F)ccc3F)CCN2C1=O ZINC000568292679 485290338 /nfs/dbraw/zinc/29/03/38/485290338.db2.gz SYLJAVJUELNIPA-JSGCOSHPSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc(F)ccc3F)CCN2C1=O ZINC000568292680 485290948 /nfs/dbraw/zinc/29/09/48/485290948.db2.gz SYLJAVJUELNIPA-OCCSQVGLSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc(F)ccc3F)CCN2C1=O ZINC000568292681 485291251 /nfs/dbraw/zinc/29/12/51/485291251.db2.gz SYLJAVJUELNIPA-TZMCWYRMSA-N 0 3 366.368 -0.606 20 0 FBADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)Cc2ccccc2C1 ZINC000568292867 485291000 /nfs/dbraw/zinc/29/10/00/485291000.db2.gz YEDCAAIQXGTGQE-CVEARBPZSA-N 0 3 370.453 -0.322 20 0 FBADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)Cc2ccccc2C1 ZINC000568292868 485291259 /nfs/dbraw/zinc/29/12/59/485291259.db2.gz YEDCAAIQXGTGQE-HOTGVXAUSA-N 0 3 370.453 -0.322 20 0 FBADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)Cc2ccccc2C1 ZINC000568292869 485290979 /nfs/dbraw/zinc/29/09/79/485290979.db2.gz YEDCAAIQXGTGQE-HZPDHXFCSA-N 0 3 370.453 -0.322 20 0 FBADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)Cc2ccccc2C1 ZINC000568292870 485290719 /nfs/dbraw/zinc/29/07/19/485290719.db2.gz YEDCAAIQXGTGQE-JKSUJKDBSA-N 0 3 370.453 -0.322 20 0 FBADHN COc1cc(F)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000568292897 485291059 /nfs/dbraw/zinc/29/10/59/485291059.db2.gz YVTMFCJASSCMRD-GXTWGEPZSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1cc(F)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000568292898 485291142 /nfs/dbraw/zinc/29/11/42/485291142.db2.gz YVTMFCJASSCMRD-JSGCOSHPSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1cc(F)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000568292899 485290891 /nfs/dbraw/zinc/29/08/91/485290891.db2.gz YVTMFCJASSCMRD-OCCSQVGLSA-N 0 3 364.377 -0.779 20 0 FBADHN COc1cc(F)cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000568292900 485290625 /nfs/dbraw/zinc/29/06/25/485290625.db2.gz YVTMFCJASSCMRD-TZMCWYRMSA-N 0 3 364.377 -0.779 20 0 FBADHN Cn1cc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)cn1 ZINC000568293761 485290541 /nfs/dbraw/zinc/29/05/41/485290541.db2.gz DVRNWVHDVMEENV-GUTXKFCHSA-N 0 3 361.450 -0.658 20 0 FBADHN Cn1cc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)cn1 ZINC000568293762 485290551 /nfs/dbraw/zinc/29/05/51/485290551.db2.gz DVRNWVHDVMEENV-GZBFAFLISA-N 0 3 361.450 -0.658 20 0 FBADHN Cn1cc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)cn1 ZINC000568293763 485291217 /nfs/dbraw/zinc/29/12/17/485291217.db2.gz DVRNWVHDVMEENV-KCQAQPDRSA-N 0 3 361.450 -0.658 20 0 FBADHN Cn1cc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)cn1 ZINC000568293764 485290851 /nfs/dbraw/zinc/29/08/51/485290851.db2.gz DVRNWVHDVMEENV-YDHLFZDLSA-N 0 3 361.450 -0.658 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NC3CCN(Cc4ccncc4)CC3)CCN2C1=O ZINC000568293949 485290835 /nfs/dbraw/zinc/29/08/35/485290835.db2.gz HEJJKKGITXXHJY-DLBZAZTESA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NC3CCN(Cc4ccncc4)CC3)CCN2C1=O ZINC000568293950 485290613 /nfs/dbraw/zinc/29/06/13/485290613.db2.gz HEJJKKGITXXHJY-IAGOWNOFSA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NC3CCN(Cc4ccncc4)CC3)CCN2C1=O ZINC000568293951 485290598 /nfs/dbraw/zinc/29/05/98/485290598.db2.gz HEJJKKGITXXHJY-IRXDYDNUSA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NC3CCN(Cc4ccncc4)CC3)CCN2C1=O ZINC000568293952 485290808 /nfs/dbraw/zinc/29/08/08/485290808.db2.gz HEJJKKGITXXHJY-SJORKVTESA-N 0 3 372.473 -0.001 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000568294335 485292299 /nfs/dbraw/zinc/29/22/99/485292299.db2.gz PINWLEUCGQCTRJ-GXTWGEPZSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000568294336 485292067 /nfs/dbraw/zinc/29/20/67/485292067.db2.gz PINWLEUCGQCTRJ-JSGCOSHPSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000568294337 485291876 /nfs/dbraw/zinc/29/18/76/485291876.db2.gz PINWLEUCGQCTRJ-OCCSQVGLSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3cccc(F)c3)CCN2C1=O ZINC000568294338 485292412 /nfs/dbraw/zinc/29/24/12/485292412.db2.gz PINWLEUCGQCTRJ-TZMCWYRMSA-N 0 3 364.377 -0.909 20 0 FBADHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CC2 ZINC000568294552 485292157 /nfs/dbraw/zinc/29/21/57/485292157.db2.gz VIQPGIDUUOPBGK-AGIUHOORSA-N 0 3 361.450 -0.330 20 0 FBADHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CC2 ZINC000568294553 485292317 /nfs/dbraw/zinc/29/23/17/485292317.db2.gz VIQPGIDUUOPBGK-FRRDWIJNSA-N 0 3 361.450 -0.330 20 0 FBADHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CC2 ZINC000568294554 485292339 /nfs/dbraw/zinc/29/23/39/485292339.db2.gz VIQPGIDUUOPBGK-JHJVBQTASA-N 0 3 361.450 -0.330 20 0 FBADHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CC2 ZINC000568294555 485291527 /nfs/dbraw/zinc/29/15/27/485291527.db2.gz VIQPGIDUUOPBGK-UPJWGTAASA-N 0 3 361.450 -0.330 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1CCOCC1 ZINC000568295844 485291623 /nfs/dbraw/zinc/29/16/23/485291623.db2.gz QKEFFIDMQZZBQG-ILXRZTDVSA-N 0 3 353.467 -0.703 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1CCOCC1 ZINC000568295845 485292178 /nfs/dbraw/zinc/29/21/78/485292178.db2.gz QKEFFIDMQZZBQG-KFWWJZLASA-N 0 3 353.467 -0.703 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1CCOCC1 ZINC000568295846 485291509 /nfs/dbraw/zinc/29/15/09/485291509.db2.gz QKEFFIDMQZZBQG-KKUMJFAQSA-N 0 3 353.467 -0.703 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1CCOCC1 ZINC000568295847 485292486 /nfs/dbraw/zinc/29/24/86/485292486.db2.gz QKEFFIDMQZZBQG-ZNMIVQPWSA-N 0 3 353.467 -0.703 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3ccccc3F)CCN2C1=O ZINC000568296022 485292198 /nfs/dbraw/zinc/29/21/98/485292198.db2.gz XGPURPOPHDKAMI-BXUZGUMPSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3ccccc3F)CCN2C1=O ZINC000568296023 485292367 /nfs/dbraw/zinc/29/23/67/485292367.db2.gz XGPURPOPHDKAMI-FZMZJTMJSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3ccccc3F)CCN2C1=O ZINC000568296024 485292091 /nfs/dbraw/zinc/29/20/91/485292091.db2.gz XGPURPOPHDKAMI-RISCZKNCSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3ccccc3F)CCN2C1=O ZINC000568296025 485292309 /nfs/dbraw/zinc/29/23/09/485292309.db2.gz XGPURPOPHDKAMI-SMDDNHRTSA-N 0 3 363.393 -0.491 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000568296870 485292215 /nfs/dbraw/zinc/29/22/15/485292215.db2.gz YBEUMOLFPGMODI-PSASIEDQSA-N 0 3 358.351 -0.334 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000568296871 485291918 /nfs/dbraw/zinc/29/19/18/485291918.db2.gz YBEUMOLFPGMODI-SCZZXKLOSA-N 0 3 358.351 -0.334 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000568296872 485292435 /nfs/dbraw/zinc/29/24/35/485292435.db2.gz YBEUMOLFPGMODI-WCBMZHEXSA-N 0 3 358.351 -0.334 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000568296873 485292375 /nfs/dbraw/zinc/29/23/75/485292375.db2.gz YBEUMOLFPGMODI-WPRPVWTQSA-N 0 3 358.351 -0.334 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000568300490 485292003 /nfs/dbraw/zinc/29/20/03/485292003.db2.gz JCPFTWASLBDLLF-HNNXBMFYSA-N 0 3 364.494 -0.232 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000568300491 485291858 /nfs/dbraw/zinc/29/18/58/485291858.db2.gz JCPFTWASLBDLLF-OAHLLOKOSA-N 0 3 364.494 -0.232 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCCCN1CCOCC1)C1=CCN(C)CC1 ZINC000568302699 485292027 /nfs/dbraw/zinc/29/20/27/485292027.db2.gz NZUAUYYVEXJJRH-HNNXBMFYSA-N 0 3 352.479 -0.018 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCCCN1CCOCC1)C1=CCN(C)CC1 ZINC000568302700 485292146 /nfs/dbraw/zinc/29/21/46/485292146.db2.gz NZUAUYYVEXJJRH-OAHLLOKOSA-N 0 3 352.479 -0.018 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000568304610 485291674 /nfs/dbraw/zinc/29/16/74/485291674.db2.gz YMTCMOQNGIOFJZ-UHFFFAOYSA-N 0 3 368.356 -0.739 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000568311522 484088634 /nfs/dbraw/zinc/08/86/34/484088634.db2.gz QUFWSSWNPCJVMM-UHFFFAOYSA-N 0 3 350.467 0.110 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000568315261 485293461 /nfs/dbraw/zinc/29/34/61/485293461.db2.gz DIAZKAZIQYBMLU-BBRMVZONSA-N 0 3 359.492 -0.148 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000568315262 485293517 /nfs/dbraw/zinc/29/35/17/485293517.db2.gz DIAZKAZIQYBMLU-CJNGLKHVSA-N 0 3 359.492 -0.148 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000568315263 485292962 /nfs/dbraw/zinc/29/29/62/485292962.db2.gz DIAZKAZIQYBMLU-CZUORRHYSA-N 0 3 359.492 -0.148 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000568315264 485293317 /nfs/dbraw/zinc/29/33/17/485293317.db2.gz DIAZKAZIQYBMLU-XJKSGUPXSA-N 0 3 359.492 -0.148 20 0 FBADHN C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)NCCN1CCCCC1 ZINC000568327892 485293051 /nfs/dbraw/zinc/29/30/51/485293051.db2.gz VOUOXISOIHVMHW-GFCCVEGCSA-N 0 3 362.496 -0.579 20 0 FBADHN O=C(N1CCC[C@]2(C1)NC(=O)NC2=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000568353142 485294091 /nfs/dbraw/zinc/29/40/91/485294091.db2.gz WUNBZXNJAAHCAU-MOPGFXCFSA-N 0 3 372.425 -0.176 20 0 FBADHN O=C(N1CCC[C@@]2(C1)NC(=O)NC2=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000568353143 485294250 /nfs/dbraw/zinc/29/42/50/485294250.db2.gz WUNBZXNJAAHCAU-OALUTQOASA-N 0 3 372.425 -0.176 20 0 FBADHN O=C(N1CCC[C@@]2(C1)NC(=O)NC2=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000568353144 485294297 /nfs/dbraw/zinc/29/42/97/485294297.db2.gz WUNBZXNJAAHCAU-RBUKOAKNSA-N 0 3 372.425 -0.176 20 0 FBADHN O=C(N1CCC[C@]2(C1)NC(=O)NC2=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000568353145 485294154 /nfs/dbraw/zinc/29/41/54/485294154.db2.gz WUNBZXNJAAHCAU-RTBURBONSA-N 0 3 372.425 -0.176 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000568365513 485293966 /nfs/dbraw/zinc/29/39/66/485293966.db2.gz XWWNFGMRVSGVCL-KBPBESRZSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000568365514 485294228 /nfs/dbraw/zinc/29/42/28/485294228.db2.gz XWWNFGMRVSGVCL-KGLIPLIRSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000568365515 485294477 /nfs/dbraw/zinc/29/44/77/485294477.db2.gz XWWNFGMRVSGVCL-UONOGXRCSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000568365516 485294564 /nfs/dbraw/zinc/29/45/64/485294564.db2.gz XWWNFGMRVSGVCL-ZIAGYGMSSA-N 0 3 352.435 -0.824 20 0 FBADHN COCCN1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000568373343 485293903 /nfs/dbraw/zinc/29/39/03/485293903.db2.gz JTJOMFAMPSLSHT-INIZCTEOSA-N 0 3 358.508 -0.670 20 0 FBADHN COCCN1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000568373344 485294495 /nfs/dbraw/zinc/29/44/95/485294495.db2.gz JTJOMFAMPSLSHT-MRXNPFEDSA-N 0 3 358.508 -0.670 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000568383788 485294457 /nfs/dbraw/zinc/29/44/57/485294457.db2.gz IGAPSGZKNFHHMA-AWEZNQCLSA-N 0 3 368.459 -0.068 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000568383789 485294619 /nfs/dbraw/zinc/29/46/19/485294619.db2.gz IGAPSGZKNFHHMA-CQSZACIVSA-N 0 3 368.459 -0.068 20 0 FBADHN O=C(CCOC1CNC1)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000568386480 485294057 /nfs/dbraw/zinc/29/40/57/485294057.db2.gz RVJOLBMXCYVVEH-CYBMUJFWSA-N 0 3 363.414 -0.194 20 0 FBADHN O=C(CCOC1CNC1)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000568386481 485294050 /nfs/dbraw/zinc/29/40/50/485294050.db2.gz RVJOLBMXCYVVEH-ZDUSSCGKSA-N 0 3 363.414 -0.194 20 0 FBADHN COC(=O)C[C@H](N)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000568388506 485294331 /nfs/dbraw/zinc/29/43/31/485294331.db2.gz BYFXLIKHAFNZLB-AWEZNQCLSA-N 0 3 350.419 -0.515 20 0 FBADHN CN(C(=O)CNC1CC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000568393377 485295467 /nfs/dbraw/zinc/29/54/67/485295467.db2.gz XMBCBZVWGZLEKI-UHFFFAOYSA-N 0 3 351.495 -0.565 20 0 FBADHN CC(C)N(CCCNC(=O)CN1CCNC[C@@H]1C(F)F)S(C)(=O)=O ZINC000568394966 485295240 /nfs/dbraw/zinc/29/52/40/485295240.db2.gz GVISYDPYFMVFSN-GFCCVEGCSA-N 0 3 370.466 -0.298 20 0 FBADHN CC(C)N(CCCNC(=O)CN1CCNC[C@H]1C(F)F)S(C)(=O)=O ZINC000568394967 485295524 /nfs/dbraw/zinc/29/55/24/485295524.db2.gz GVISYDPYFMVFSN-LBPRGKRZSA-N 0 3 370.466 -0.298 20 0 FBADHN Cn1nccc1[C@@H]1[C@H](C(=O)NCCCN2CCC(O)CC2)CC(=O)N1C ZINC000568398356 485295279 /nfs/dbraw/zinc/29/52/79/485295279.db2.gz DCBHHJLOQBSQKA-PBHICJAKSA-N 0 3 363.462 -0.098 20 0 FBADHN Cn1nccc1[C@H]1[C@H](C(=O)NCCCN2CCC(O)CC2)CC(=O)N1C ZINC000568398357 485295637 /nfs/dbraw/zinc/29/56/37/485295637.db2.gz DCBHHJLOQBSQKA-RHSMWYFYSA-N 0 3 363.462 -0.098 20 0 FBADHN Cn1nccc1[C@H]1[C@@H](C(=O)NCCCN2CCC(O)CC2)CC(=O)N1C ZINC000568398425 485295685 /nfs/dbraw/zinc/29/56/85/485295685.db2.gz DCBHHJLOQBSQKA-WMLDXEAASA-N 0 3 363.462 -0.098 20 0 FBADHN Cn1nccc1[C@@H]1[C@@H](C(=O)NCCCN2CCC(O)CC2)CC(=O)N1C ZINC000568398427 485295401 /nfs/dbraw/zinc/29/54/01/485295401.db2.gz DCBHHJLOQBSQKA-YOEHRIQHSA-N 0 3 363.462 -0.098 20 0 FBADHN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000568414336 485295006 /nfs/dbraw/zinc/29/50/06/485295006.db2.gz IPPRQSHNUDDYGK-GXTWGEPZSA-N 0 3 366.443 -0.032 20 0 FBADHN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000568414337 485295602 /nfs/dbraw/zinc/29/56/02/485295602.db2.gz IPPRQSHNUDDYGK-JSGCOSHPSA-N 0 3 366.443 -0.032 20 0 FBADHN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000568414338 485295566 /nfs/dbraw/zinc/29/55/66/485295566.db2.gz IPPRQSHNUDDYGK-OCCSQVGLSA-N 0 3 366.443 -0.032 20 0 FBADHN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000568414339 485295519 /nfs/dbraw/zinc/29/55/19/485295519.db2.gz IPPRQSHNUDDYGK-TZMCWYRMSA-N 0 3 366.443 -0.032 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC4=O)CCN2C1=O ZINC000568414349 485295713 /nfs/dbraw/zinc/29/57/13/485295713.db2.gz IWDOKVBDQXNHML-DZGCQCFKSA-N 0 3 370.409 -0.086 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC4=O)CCN2C1=O ZINC000568414350 485295047 /nfs/dbraw/zinc/29/50/47/485295047.db2.gz IWDOKVBDQXNHML-HIFRSBDPSA-N 0 3 370.409 -0.086 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC4=O)CCN2C1=O ZINC000568414351 485295445 /nfs/dbraw/zinc/29/54/45/485295445.db2.gz IWDOKVBDQXNHML-UKRRQHHQSA-N 0 3 370.409 -0.086 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC4=O)CCN2C1=O ZINC000568414352 485296802 /nfs/dbraw/zinc/29/68/02/485296802.db2.gz IWDOKVBDQXNHML-ZFWWWQNUSA-N 0 3 370.409 -0.086 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000568414360 485296330 /nfs/dbraw/zinc/29/63/30/485296330.db2.gz JHURRVJEHCRVPU-GXTWGEPZSA-N 0 3 366.443 -0.956 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000568414361 485296063 /nfs/dbraw/zinc/29/60/63/485296063.db2.gz JHURRVJEHCRVPU-JSGCOSHPSA-N 0 3 366.443 -0.956 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000568414362 485296243 /nfs/dbraw/zinc/29/62/43/485296243.db2.gz JHURRVJEHCRVPU-OCCSQVGLSA-N 0 3 366.443 -0.956 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000568414363 485296281 /nfs/dbraw/zinc/29/62/81/485296281.db2.gz JHURRVJEHCRVPU-TZMCWYRMSA-N 0 3 366.443 -0.956 20 0 FBADHN CS(=O)(=O)c1ccc(OCCN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000568414410 485296852 /nfs/dbraw/zinc/29/68/52/485296852.db2.gz KLIICCVKBHLLKG-DOMZBBRYSA-N 0 3 353.444 -0.287 20 0 FBADHN CS(=O)(=O)c1ccc(OCCN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000568414411 485296675 /nfs/dbraw/zinc/29/66/75/485296675.db2.gz KLIICCVKBHLLKG-IUODEOHRSA-N 0 3 353.444 -0.287 20 0 FBADHN CS(=O)(=O)c1ccc(OCCN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000568414412 485296848 /nfs/dbraw/zinc/29/68/48/485296848.db2.gz KLIICCVKBHLLKG-SWLSCSKDSA-N 0 3 353.444 -0.287 20 0 FBADHN CS(=O)(=O)c1ccc(OCCN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000568414413 485296875 /nfs/dbraw/zinc/29/68/75/485296875.db2.gz KLIICCVKBHLLKG-WFASDCNBSA-N 0 3 353.444 -0.287 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC(F)(F)F)CCN2C1=O ZINC000568414907 485296881 /nfs/dbraw/zinc/29/68/81/485296881.db2.gz ZFVDPRRRIDHKCP-AXFHLTTASA-N 0 3 350.341 -0.980 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)(F)F)CCN2C1=O ZINC000568414908 485296546 /nfs/dbraw/zinc/29/65/46/485296546.db2.gz ZFVDPRRRIDHKCP-GMTAPVOTSA-N 0 3 350.341 -0.980 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)(F)F)CCN2C1=O ZINC000568414909 485296553 /nfs/dbraw/zinc/29/65/53/485296553.db2.gz ZFVDPRRRIDHKCP-HBNTYKKESA-N 0 3 350.341 -0.980 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)(F)F)CCN2C1=O ZINC000568414910 485296452 /nfs/dbraw/zinc/29/64/52/485296452.db2.gz ZFVDPRRRIDHKCP-MXWKQRLJSA-N 0 3 350.341 -0.980 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000568415873 485296912 /nfs/dbraw/zinc/29/69/12/485296912.db2.gz GTZYPZHVZJHYJO-CVEARBPZSA-N 0 3 371.441 -0.239 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000568415874 485296821 /nfs/dbraw/zinc/29/68/21/485296821.db2.gz GTZYPZHVZJHYJO-HOTGVXAUSA-N 0 3 371.441 -0.239 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000568415875 485296563 /nfs/dbraw/zinc/29/65/63/485296563.db2.gz GTZYPZHVZJHYJO-HZPDHXFCSA-N 0 3 371.441 -0.239 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000568415876 485296079 /nfs/dbraw/zinc/29/60/79/485296079.db2.gz GTZYPZHVZJHYJO-JKSUJKDBSA-N 0 3 371.441 -0.239 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000568418508 485296111 /nfs/dbraw/zinc/29/61/11/485296111.db2.gz ITUFZYFQRLXIAW-CYBMUJFWSA-N 0 3 354.451 -0.707 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(C)CC2)[C@@H](C)C1 ZINC000568418511 485296721 /nfs/dbraw/zinc/29/67/21/485296721.db2.gz ITUFZYFQRLXIAW-ZDUSSCGKSA-N 0 3 354.451 -0.707 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)N1CCCCC1 ZINC000568418831 485296744 /nfs/dbraw/zinc/29/67/44/485296744.db2.gz TUZUNHHJWIABHG-GFCCVEGCSA-N 0 3 360.480 -0.744 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)N1CCCCC1 ZINC000568418832 485296691 /nfs/dbraw/zinc/29/66/91/485296691.db2.gz TUZUNHHJWIABHG-LBPRGKRZSA-N 0 3 360.480 -0.744 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](CO)CN1CCCCC1 ZINC000568436507 485296776 /nfs/dbraw/zinc/29/67/76/485296776.db2.gz PIFSOEWEOLHENQ-AWEZNQCLSA-N 0 3 365.496 -0.706 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000568436508 485296887 /nfs/dbraw/zinc/29/68/87/485296887.db2.gz PIFSOEWEOLHENQ-CQSZACIVSA-N 0 3 365.496 -0.706 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1=CCN(C)CC1 ZINC000568445432 485296050 /nfs/dbraw/zinc/29/60/50/485296050.db2.gz UJGMVJMENZTOMJ-CVEARBPZSA-N 0 3 364.490 -0.066 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1=CCN(C)CC1 ZINC000568445434 485296501 /nfs/dbraw/zinc/29/65/01/485296501.db2.gz UJGMVJMENZTOMJ-HOTGVXAUSA-N 0 3 364.490 -0.066 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1=CCN(C)CC1 ZINC000568445435 485297331 /nfs/dbraw/zinc/29/73/31/485297331.db2.gz UJGMVJMENZTOMJ-HZPDHXFCSA-N 0 3 364.490 -0.066 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1=CCN(C)CC1 ZINC000568445437 485297619 /nfs/dbraw/zinc/29/76/19/485297619.db2.gz UJGMVJMENZTOMJ-JKSUJKDBSA-N 0 3 364.490 -0.066 20 0 FBADHN NC(=O)CN1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1=O ZINC000568481924 485297633 /nfs/dbraw/zinc/29/76/33/485297633.db2.gz QABJPOPXWMTXRS-UHFFFAOYSA-N 0 3 374.445 -0.363 20 0 FBADHN CN(CC1CC1)S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000568489449 485297838 /nfs/dbraw/zinc/29/78/38/485297838.db2.gz JQGLXPSSYLIYLG-UHFFFAOYSA-N 0 3 360.524 -0.041 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1cccs1 ZINC000568491553 485297388 /nfs/dbraw/zinc/29/73/88/485297388.db2.gz JKONJHPJDVTZDX-GFCCVEGCSA-N 0 3 367.475 -0.985 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1cccs1 ZINC000568491554 485297685 /nfs/dbraw/zinc/29/76/85/485297685.db2.gz JKONJHPJDVTZDX-LBPRGKRZSA-N 0 3 367.475 -0.985 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O)CN1CCN(C)CC1 ZINC000568492809 485297702 /nfs/dbraw/zinc/29/77/02/485297702.db2.gz MQRSEHRKVZKMHY-BZUAXINKSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O)CN1CCN(C)CC1 ZINC000568492810 485297876 /nfs/dbraw/zinc/29/78/76/485297876.db2.gz MQRSEHRKVZKMHY-OAGGEKHMSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O)CN1CCN(C)CC1 ZINC000568492811 485297779 /nfs/dbraw/zinc/29/77/79/485297779.db2.gz MQRSEHRKVZKMHY-OWCLPIDISA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O)CN1CCN(C)CC1 ZINC000568492812 485297736 /nfs/dbraw/zinc/29/77/36/485297736.db2.gz MQRSEHRKVZKMHY-PMPSAXMXSA-N 0 3 354.495 -0.395 20 0 FBADHN COC[C@H](O)CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000568500986 485298415 /nfs/dbraw/zinc/29/84/15/485298415.db2.gz NILAOMDRRMYCSR-CQSZACIVSA-N 0 3 358.464 -0.870 20 0 FBADHN Cn1nc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)c(=O)c2ccccc21 ZINC000568508844 485298837 /nfs/dbraw/zinc/29/88/37/485298837.db2.gz UPTJCTNLXBIKHU-UHFFFAOYSA-N 0 3 354.374 -0.287 20 0 FBADHN Cc1nc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cn1C ZINC000568511579 485298510 /nfs/dbraw/zinc/29/85/10/485298510.db2.gz YSGDDWKJUHWDQR-DOMZBBRYSA-N 0 3 355.464 -0.346 20 0 FBADHN CN(C)CCOc1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000568524193 485298287 /nfs/dbraw/zinc/29/82/87/485298287.db2.gz OUPPVIZBBBULJE-CYBMUJFWSA-N 0 3 356.448 -0.214 20 0 FBADHN CN(C)CCOc1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000568524196 485298825 /nfs/dbraw/zinc/29/88/25/485298825.db2.gz OUPPVIZBBBULJE-ZDUSSCGKSA-N 0 3 356.448 -0.214 20 0 FBADHN CC(C)CCNC(=O)C1CCN(C(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000568526849 485300107 /nfs/dbraw/zinc/30/01/07/485300107.db2.gz FRUMPNCVPZPGIM-IRXDYDNUSA-N 0 3 368.522 -0.006 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)CCN2C1=O ZINC000568533315 485299722 /nfs/dbraw/zinc/29/97/22/485299722.db2.gz QYYZLFAYJBVPFL-GWCFXTLKSA-N 0 3 352.341 -0.535 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)CCN2C1=O ZINC000568533317 485299904 /nfs/dbraw/zinc/29/99/04/485299904.db2.gz QYYZLFAYJBVPFL-GXFFZTMASA-N 0 3 352.341 -0.535 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)CCN2C1=O ZINC000568533319 485299375 /nfs/dbraw/zinc/29/93/75/485299375.db2.gz QYYZLFAYJBVPFL-MFKMUULPSA-N 0 3 352.341 -0.535 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)CCN2C1=O ZINC000568533320 485299240 /nfs/dbraw/zinc/29/92/40/485299240.db2.gz QYYZLFAYJBVPFL-ZWNOBZJWSA-N 0 3 352.341 -0.535 20 0 FBADHN CC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C ZINC000568533714 485299301 /nfs/dbraw/zinc/29/93/01/485299301.db2.gz PAEREPJTMGQLIL-DZGCQCFKSA-N 0 3 358.398 -0.093 20 0 FBADHN CC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C ZINC000568533716 485300088 /nfs/dbraw/zinc/30/00/88/485300088.db2.gz PAEREPJTMGQLIL-HIFRSBDPSA-N 0 3 358.398 -0.093 20 0 FBADHN CC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C ZINC000568533717 485300054 /nfs/dbraw/zinc/30/00/54/485300054.db2.gz PAEREPJTMGQLIL-UKRRQHHQSA-N 0 3 358.398 -0.093 20 0 FBADHN CC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C ZINC000568533718 485299748 /nfs/dbraw/zinc/29/97/48/485299748.db2.gz PAEREPJTMGQLIL-ZFWWWQNUSA-N 0 3 358.398 -0.093 20 0 FBADHN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568534126 485300061 /nfs/dbraw/zinc/30/00/61/485300061.db2.gz VLTHGOJDIMCBHB-AGIUHOORSA-N 0 3 357.414 -0.396 20 0 FBADHN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568534127 485299388 /nfs/dbraw/zinc/29/93/88/485299388.db2.gz VLTHGOJDIMCBHB-FRRDWIJNSA-N 0 3 357.414 -0.396 20 0 FBADHN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568534128 485299735 /nfs/dbraw/zinc/29/97/35/485299735.db2.gz VLTHGOJDIMCBHB-JHJVBQTASA-N 0 3 357.414 -0.396 20 0 FBADHN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568534129 485299258 /nfs/dbraw/zinc/29/92/58/485299258.db2.gz VLTHGOJDIMCBHB-UPJWGTAASA-N 0 3 357.414 -0.396 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCC(=O)N3CCCc4ccccc43)CCN2C1=O ZINC000568534354 485299938 /nfs/dbraw/zinc/29/99/38/485299938.db2.gz DQBGNEJAQJWXKO-CABCVRRESA-N 0 3 371.441 -0.081 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCC(=O)N3CCCc4ccccc43)CCN2C1=O ZINC000568534355 485299874 /nfs/dbraw/zinc/29/98/74/485299874.db2.gz DQBGNEJAQJWXKO-GJZGRUSLSA-N 0 3 371.441 -0.081 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCC(=O)N3CCCc4ccccc43)CCN2C1=O ZINC000568534356 485300199 /nfs/dbraw/zinc/30/01/99/485300199.db2.gz DQBGNEJAQJWXKO-HUUCEWRRSA-N 0 3 371.441 -0.081 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCC(=O)N3CCCc4ccccc43)CCN2C1=O ZINC000568534357 485299862 /nfs/dbraw/zinc/29/98/62/485299862.db2.gz DQBGNEJAQJWXKO-LSDHHAIUSA-N 0 3 371.441 -0.081 20 0 FBADHN Cc1ccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000568534436 485300113 /nfs/dbraw/zinc/30/01/13/485300113.db2.gz IAHFLIFEHHPBCX-DZGCQCFKSA-N 0 3 360.414 -0.740 20 0 FBADHN Cc1ccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000568534437 485300134 /nfs/dbraw/zinc/30/01/34/485300134.db2.gz IAHFLIFEHHPBCX-HIFRSBDPSA-N 0 3 360.414 -0.740 20 0 FBADHN Cc1ccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000568534438 485299459 /nfs/dbraw/zinc/29/94/59/485299459.db2.gz IAHFLIFEHHPBCX-UKRRQHHQSA-N 0 3 360.414 -0.740 20 0 FBADHN Cc1ccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000568534439 485299487 /nfs/dbraw/zinc/29/94/87/485299487.db2.gz IAHFLIFEHHPBCX-ZFWWWQNUSA-N 0 3 360.414 -0.740 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000568541050 485299599 /nfs/dbraw/zinc/29/95/99/485299599.db2.gz JVYQGGMAKCSXKA-HNNXBMFYSA-N 0 3 367.494 -0.885 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000568541052 485300191 /nfs/dbraw/zinc/30/01/91/485300191.db2.gz JVYQGGMAKCSXKA-OAHLLOKOSA-N 0 3 367.494 -0.885 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000568548727 485301486 /nfs/dbraw/zinc/30/14/86/485301486.db2.gz FHRRCXGRKIKFBO-UHFFFAOYSA-N 0 3 361.446 -0.180 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000568553959 485300706 /nfs/dbraw/zinc/30/07/06/485300706.db2.gz FVODKSLBMUWXDJ-KBPBESRZSA-N 0 3 365.434 -0.146 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000568553960 485300627 /nfs/dbraw/zinc/30/06/27/485300627.db2.gz FVODKSLBMUWXDJ-KGLIPLIRSA-N 0 3 365.434 -0.146 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000568553961 485301183 /nfs/dbraw/zinc/30/11/83/485301183.db2.gz FVODKSLBMUWXDJ-UONOGXRCSA-N 0 3 365.434 -0.146 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000568553962 485300977 /nfs/dbraw/zinc/30/09/77/485300977.db2.gz FVODKSLBMUWXDJ-ZIAGYGMSSA-N 0 3 365.434 -0.146 20 0 FBADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CCNS(C)(=O)=O)CC1 ZINC000568556422 485301224 /nfs/dbraw/zinc/30/12/24/485301224.db2.gz BPRWQLKQGKOBSX-GFCCVEGCSA-N 0 3 355.526 -0.082 20 0 FBADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CCNS(C)(=O)=O)CC1 ZINC000568556425 485301072 /nfs/dbraw/zinc/30/10/72/485301072.db2.gz BPRWQLKQGKOBSX-LBPRGKRZSA-N 0 3 355.526 -0.082 20 0 FBADHN O=C(N1CC[C@@H]2OCC(=O)N[C@H]2C1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000568598853 485302236 /nfs/dbraw/zinc/30/22/36/485302236.db2.gz IEMRYASURNCZJA-BXWFABGCSA-N 0 3 359.426 -0.261 20 0 FBADHN O=C(N1CC[C@@H]2OCC(=O)N[C@H]2C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000568598856 485302356 /nfs/dbraw/zinc/30/23/56/485302356.db2.gz IEMRYASURNCZJA-TXPKVOOTSA-N 0 3 359.426 -0.261 20 0 FBADHN O=C(NCCNS(=O)(=O)c1ccccc1)N1CCOC2(CNC2)C1 ZINC000568608080 485301902 /nfs/dbraw/zinc/30/19/02/485301902.db2.gz VKKYAMTZDLQCKK-UHFFFAOYSA-N 0 3 354.432 -0.651 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@H](COCC3CC3)C2)n1 ZINC000568612365 485302139 /nfs/dbraw/zinc/30/21/39/485302139.db2.gz IKPXPGORSSRKMX-AWEZNQCLSA-N 0 3 366.466 -0.428 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H](COCC3CC3)C2)n1 ZINC000568612366 485302112 /nfs/dbraw/zinc/30/21/12/485302112.db2.gz IKPXPGORSSRKMX-CQSZACIVSA-N 0 3 366.466 -0.428 20 0 FBADHN CN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O ZINC000568613373 483680531 /nfs/dbraw/zinc/68/05/31/483680531.db2.gz XRGICVDECZFLAF-UHFFFAOYSA-N 0 3 350.466 -0.442 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)[C@H](CN)C1 ZINC000568618203 485302495 /nfs/dbraw/zinc/30/24/95/485302495.db2.gz WBJVEDJJLHXSCX-QJPTWQEYSA-N 0 3 366.384 -0.751 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)[C@@H](CN)C1 ZINC000568618204 485301835 /nfs/dbraw/zinc/30/18/35/485301835.db2.gz WBJVEDJJLHXSCX-SDDRHHMPSA-N 0 3 366.384 -0.751 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)[C@@H](CN)C1 ZINC000568618205 485302513 /nfs/dbraw/zinc/30/25/13/485302513.db2.gz WBJVEDJJLHXSCX-SRVKXCTJSA-N 0 3 366.384 -0.751 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)[C@H](CN)C1 ZINC000568618206 485302258 /nfs/dbraw/zinc/30/22/58/485302258.db2.gz WBJVEDJJLHXSCX-TUAOUCFPSA-N 0 3 366.384 -0.751 20 0 FBADHN COc1cc(C(=O)NC[C@@H]2CNCCO2)cc(Cl)c1OCC(N)=O ZINC000568620560 485302276 /nfs/dbraw/zinc/30/22/76/485302276.db2.gz GRDCVTUMYSMJPT-JTQLQIEISA-N 0 3 357.794 -0.069 20 0 FBADHN COc1cc(C(=O)NC[C@H]2CNCCO2)cc(Cl)c1OCC(N)=O ZINC000568620565 485302196 /nfs/dbraw/zinc/30/21/96/485302196.db2.gz GRDCVTUMYSMJPT-SNVBAGLBSA-N 0 3 357.794 -0.069 20 0 FBADHN C[C@@]1(c2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000568624517 485302308 /nfs/dbraw/zinc/30/23/08/485302308.db2.gz NEWSRCVTBJDISJ-ACJLOTCBSA-N 0 3 373.413 -0.062 20 0 FBADHN C[C@]1(c2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000568624518 485301892 /nfs/dbraw/zinc/30/18/92/485301892.db2.gz NEWSRCVTBJDISJ-FZKQIMNGSA-N 0 3 373.413 -0.062 20 0 FBADHN C[C@]1(c2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000568624519 485302617 /nfs/dbraw/zinc/30/26/17/485302617.db2.gz NEWSRCVTBJDISJ-SCLBCKFNSA-N 0 3 373.413 -0.062 20 0 FBADHN C[C@@]1(c2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)[N-]C1=O ZINC000568624520 485303793 /nfs/dbraw/zinc/30/37/93/485303793.db2.gz NEWSRCVTBJDISJ-UGSOOPFHSA-N 0 3 373.413 -0.062 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000568628948 485303635 /nfs/dbraw/zinc/30/36/35/485303635.db2.gz NNLBPPFTRGBXHU-UHFFFAOYSA-N 0 3 364.431 -0.271 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCNC[C@@H]2c2ccccc2)CC1 ZINC000568635157 485303493 /nfs/dbraw/zinc/30/34/93/485303493.db2.gz VQVIEKOECXUVAZ-GOSISDBHSA-N 0 3 373.501 -0.135 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCNC[C@H]2c2ccccc2)CC1 ZINC000568635161 485303828 /nfs/dbraw/zinc/30/38/28/485303828.db2.gz VQVIEKOECXUVAZ-SFHVURJKSA-N 0 3 373.501 -0.135 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000568643961 485303394 /nfs/dbraw/zinc/30/33/94/485303394.db2.gz VZNUGQYCNINMCR-AWEZNQCLSA-N 0 3 353.467 -0.197 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000568643962 485303614 /nfs/dbraw/zinc/30/36/14/485303614.db2.gz VZNUGQYCNINMCR-CQSZACIVSA-N 0 3 353.467 -0.197 20 0 FBADHN CNS(=O)(=O)c1cc(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1C ZINC000568644492 485303177 /nfs/dbraw/zinc/30/31/77/485303177.db2.gz KJTANXFXGJJBMC-KBPBESRZSA-N 0 3 370.475 -0.552 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NCCNS(C)(=O)=O ZINC000568644952 485303292 /nfs/dbraw/zinc/30/32/92/485303292.db2.gz IHLJZSDGKPGENS-UHFFFAOYSA-N 0 3 359.452 -0.630 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000568648626 485303595 /nfs/dbraw/zinc/30/35/95/485303595.db2.gz ZDCBCYGGGZCFJY-CYBMUJFWSA-N 0 3 370.475 -0.544 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000568648627 485303781 /nfs/dbraw/zinc/30/37/81/485303781.db2.gz ZDCBCYGGGZCFJY-ZDUSSCGKSA-N 0 3 370.475 -0.544 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(N4CCOCC4)n3)CCN2C1=O ZINC000568648700 485303920 /nfs/dbraw/zinc/30/39/20/485303920.db2.gz JOGNCSDSAGHYTQ-CABCVRRESA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3cccc(N4CCOCC4)n3)CCN2C1=O ZINC000568648703 485303189 /nfs/dbraw/zinc/30/31/89/485303189.db2.gz JOGNCSDSAGHYTQ-GJZGRUSLSA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(N4CCOCC4)n3)CCN2C1=O ZINC000568648704 485303312 /nfs/dbraw/zinc/30/33/12/485303312.db2.gz JOGNCSDSAGHYTQ-HUUCEWRRSA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3cccc(N4CCOCC4)n3)CCN2C1=O ZINC000568648705 485303162 /nfs/dbraw/zinc/30/31/62/485303162.db2.gz JOGNCSDSAGHYTQ-LSDHHAIUSA-N 0 3 374.445 -0.628 20 0 FBADHN CCn1c2ccc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2[nH]c(=O)c1=O ZINC000568648821 485304012 /nfs/dbraw/zinc/30/40/12/485304012.db2.gz KZKCMAQERHEUSJ-NEPJUHHUSA-N 0 3 371.397 -0.906 20 0 FBADHN CCn1c2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2[nH]c(=O)c1=O ZINC000568648822 485303121 /nfs/dbraw/zinc/30/31/21/485303121.db2.gz KZKCMAQERHEUSJ-NWDGAFQWSA-N 0 3 371.397 -0.906 20 0 FBADHN CCn1c2ccc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2[nH]c(=O)c1=O ZINC000568648823 485303866 /nfs/dbraw/zinc/30/38/66/485303866.db2.gz KZKCMAQERHEUSJ-RYUDHWBXSA-N 0 3 371.397 -0.906 20 0 FBADHN CCn1c2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2[nH]c(=O)c1=O ZINC000568648824 485303334 /nfs/dbraw/zinc/30/33/34/485303334.db2.gz KZKCMAQERHEUSJ-VXGBXAGGSA-N 0 3 371.397 -0.906 20 0 FBADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000568653907 485304828 /nfs/dbraw/zinc/30/48/28/485304828.db2.gz JTSUKRRUHUWVHV-GXTWGEPZSA-N 0 3 367.427 -0.665 20 0 FBADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000568653908 485305112 /nfs/dbraw/zinc/30/51/12/485305112.db2.gz JTSUKRRUHUWVHV-JSGCOSHPSA-N 0 3 367.427 -0.665 20 0 FBADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000568653909 485304934 /nfs/dbraw/zinc/30/49/34/485304934.db2.gz JTSUKRRUHUWVHV-OCCSQVGLSA-N 0 3 367.427 -0.665 20 0 FBADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000568653910 485304749 /nfs/dbraw/zinc/30/47/49/485304749.db2.gz JTSUKRRUHUWVHV-TZMCWYRMSA-N 0 3 367.427 -0.665 20 0 FBADHN CCn1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000568663616 485304946 /nfs/dbraw/zinc/30/49/46/485304946.db2.gz BIWZIVFTHJPYKW-KBPBESRZSA-N 0 3 370.413 -0.235 20 0 FBADHN CCn1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000568663617 485304547 /nfs/dbraw/zinc/30/45/47/485304547.db2.gz BIWZIVFTHJPYKW-KGLIPLIRSA-N 0 3 370.413 -0.235 20 0 FBADHN CCn1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc21 ZINC000568663618 485305030 /nfs/dbraw/zinc/30/50/30/485305030.db2.gz BIWZIVFTHJPYKW-UONOGXRCSA-N 0 3 370.413 -0.235 20 0 FBADHN CCn1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000568663619 485305044 /nfs/dbraw/zinc/30/50/44/485305044.db2.gz BIWZIVFTHJPYKW-ZIAGYGMSSA-N 0 3 370.413 -0.235 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1F ZINC000568664459 485305176 /nfs/dbraw/zinc/30/51/76/485305176.db2.gz ODEUKOSKUBJWQU-CMPLNLGQSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1F ZINC000568664460 485304652 /nfs/dbraw/zinc/30/46/52/485304652.db2.gz ODEUKOSKUBJWQU-JQWIXIFHSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1F ZINC000568664462 485304853 /nfs/dbraw/zinc/30/48/53/485304853.db2.gz ODEUKOSKUBJWQU-PWSUYJOCSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1F ZINC000568664464 485305059 /nfs/dbraw/zinc/30/50/59/485305059.db2.gz ODEUKOSKUBJWQU-ZYHUDNBSSA-N 0 3 350.350 -0.457 20 0 FBADHN CN(C[C@H](O)CN1CCN(S(=O)(=O)c2cccnc2)CC1)C1CC1 ZINC000568684985 485306208 /nfs/dbraw/zinc/30/62/08/485306208.db2.gz WTTQMIKWXBIGIC-HNNXBMFYSA-N 0 3 354.476 -0.157 20 0 FBADHN CN(C[C@@H](O)CN1CCN(S(=O)(=O)c2cccnc2)CC1)C1CC1 ZINC000568684991 485306036 /nfs/dbraw/zinc/30/60/36/485306036.db2.gz WTTQMIKWXBIGIC-OAHLLOKOSA-N 0 3 354.476 -0.157 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000568701108 485305770 /nfs/dbraw/zinc/30/57/70/485305770.db2.gz VCTZAJCFWBYXGB-UHFFFAOYSA-N 0 3 350.375 -0.614 20 0 FBADHN CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000568708176 485305868 /nfs/dbraw/zinc/30/58/68/485305868.db2.gz UMYHHHLIZYNKFN-LPHOPBHVSA-N 0 3 363.458 -0.127 20 0 FBADHN CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000568708177 485306086 /nfs/dbraw/zinc/30/60/86/485306086.db2.gz UMYHHHLIZYNKFN-QFBILLFUSA-N 0 3 363.458 -0.127 20 0 FBADHN CN1CCN(CCNC(=O)[C@](C)(O)Cn2ccccc2=O)CC1(C)C ZINC000568714991 485305959 /nfs/dbraw/zinc/30/59/59/485305959.db2.gz RTWZLEOKERPGRP-GOSISDBHSA-N 0 3 350.463 -0.259 20 0 FBADHN CN1CCN(CCNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1(C)C ZINC000568714992 485305996 /nfs/dbraw/zinc/30/59/96/485305996.db2.gz RTWZLEOKERPGRP-SFHVURJKSA-N 0 3 350.463 -0.259 20 0 FBADHN CCOC(=O)C1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000568724128 485305749 /nfs/dbraw/zinc/30/57/49/485305749.db2.gz RFHDRGFJZDZVAH-UHFFFAOYSA-N 0 3 370.494 -0.260 20 0 FBADHN COc1cccc(OCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000568738214 485307449 /nfs/dbraw/zinc/30/74/49/485307449.db2.gz IFKQYTRIQXUXBB-AWEZNQCLSA-N 0 3 364.446 -0.318 20 0 FBADHN COc1cccc(OCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000568738215 485306965 /nfs/dbraw/zinc/30/69/65/485306965.db2.gz IFKQYTRIQXUXBB-CQSZACIVSA-N 0 3 364.446 -0.318 20 0 FBADHN CN1C(=O)CC[C@@H](NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1=O ZINC000568741264 485307312 /nfs/dbraw/zinc/30/73/12/485307312.db2.gz QEMDZBWMIOIQOX-CHWSQXEVSA-N 0 3 360.370 -0.399 20 0 FBADHN CN1C(=O)CC[C@H](NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1=O ZINC000568741266 485306849 /nfs/dbraw/zinc/30/68/49/485306849.db2.gz QEMDZBWMIOIQOX-OLZOCXBDSA-N 0 3 360.370 -0.399 20 0 FBADHN CN1C(=O)CC[C@@H](NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1=O ZINC000568741267 485307144 /nfs/dbraw/zinc/30/71/44/485307144.db2.gz QEMDZBWMIOIQOX-QWHCGFSZSA-N 0 3 360.370 -0.399 20 0 FBADHN CN1C(=O)CC[C@H](NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1=O ZINC000568741268 485307489 /nfs/dbraw/zinc/30/74/89/485307489.db2.gz QEMDZBWMIOIQOX-STQMWFEESA-N 0 3 360.370 -0.399 20 0 FBADHN C[C@@H](C(=O)NCC(=O)NCCN1CCCCCC1)N1CCN(C)CC1 ZINC000568741274 485306867 /nfs/dbraw/zinc/30/68/67/485306867.db2.gz DRXIEXYVGPVMOE-INIZCTEOSA-N 0 3 353.511 -0.269 20 0 FBADHN C[C@H](C(=O)NCC(=O)NCCN1CCCCCC1)N1CCN(C)CC1 ZINC000568741279 485307256 /nfs/dbraw/zinc/30/72/56/485307256.db2.gz DRXIEXYVGPVMOE-MRXNPFEDSA-N 0 3 353.511 -0.269 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000568750026 485306913 /nfs/dbraw/zinc/30/69/13/485306913.db2.gz SFJGDXTUTDCGOF-NEPJUHHUSA-N 0 3 351.428 -0.240 20 0 FBADHN O=C(NC[C@@H]1CSc2ccccc2O1)C(=O)NC[C@@H]1CNCCO1 ZINC000568750027 485307570 /nfs/dbraw/zinc/30/75/70/485307570.db2.gz SFJGDXTUTDCGOF-NWDGAFQWSA-N 0 3 351.428 -0.240 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000568750028 485307071 /nfs/dbraw/zinc/30/70/71/485307071.db2.gz SFJGDXTUTDCGOF-RYUDHWBXSA-N 0 3 351.428 -0.240 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000568750029 485307197 /nfs/dbraw/zinc/30/71/97/485307197.db2.gz SFJGDXTUTDCGOF-VXGBXAGGSA-N 0 3 351.428 -0.240 20 0 FBADHN Cc1cc(C(=O)N[C@H]2CNCCC2(F)F)nc2c1c(=O)n(C)c(=O)n2C ZINC000568761015 485308690 /nfs/dbraw/zinc/30/86/90/485308690.db2.gz LMMHFSHQWCPAIU-JTQLQIEISA-N 0 3 367.356 -0.332 20 0 FBADHN Cc1cc(C(=O)N[C@@H]2CNCCC2(F)F)nc2c1c(=O)n(C)c(=O)n2C ZINC000568761016 485308025 /nfs/dbraw/zinc/30/80/25/485308025.db2.gz LMMHFSHQWCPAIU-SNVBAGLBSA-N 0 3 367.356 -0.332 20 0 FBADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000568762725 485308182 /nfs/dbraw/zinc/30/81/82/485308182.db2.gz HPAIVEQQKVPECX-JYJNAYRXSA-N 0 3 367.471 -0.027 20 0 FBADHN CN(C)[C@H](CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000568770385 485307969 /nfs/dbraw/zinc/30/79/69/485307969.db2.gz VGGCAELGLARUPM-BRWVUGGUSA-N 0 3 359.474 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000568770386 485307987 /nfs/dbraw/zinc/30/79/87/485307987.db2.gz VGGCAELGLARUPM-GVDBMIGSSA-N 0 3 359.474 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000568770387 485308384 /nfs/dbraw/zinc/30/83/84/485308384.db2.gz VGGCAELGLARUPM-IXDOHACOSA-N 0 3 359.474 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000568770388 485308135 /nfs/dbraw/zinc/30/81/35/485308135.db2.gz VGGCAELGLARUPM-YESZJQIVSA-N 0 3 359.474 -0.351 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000568771089 485308424 /nfs/dbraw/zinc/30/84/24/485308424.db2.gz HOSLJBVPWWILLN-AWEZNQCLSA-N 0 3 361.512 -0.701 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000568771090 485308067 /nfs/dbraw/zinc/30/80/67/485308067.db2.gz HOSLJBVPWWILLN-CQSZACIVSA-N 0 3 361.512 -0.701 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCOCCN(C)C)c1 ZINC000568774067 485307998 /nfs/dbraw/zinc/30/79/98/485307998.db2.gz PYMSZQUGAVUHKY-UHFFFAOYSA-N 0 3 371.459 -0.138 20 0 FBADHN C[C@@H]1C(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc2N1C ZINC000568783061 485308518 /nfs/dbraw/zinc/30/85/18/485308518.db2.gz LSQHWROCFDUVNF-KGYLQXTDSA-N 0 3 357.414 -0.153 20 0 FBADHN C[C@@H]1C(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc2N1C ZINC000568783062 485308478 /nfs/dbraw/zinc/30/84/78/485308478.db2.gz LSQHWROCFDUVNF-RAIGVLPGSA-N 0 3 357.414 -0.153 20 0 FBADHN C[C@@H]1C(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc2N1C ZINC000568783063 485308664 /nfs/dbraw/zinc/30/86/64/485308664.db2.gz LSQHWROCFDUVNF-RTXFEEFZSA-N 0 3 357.414 -0.153 20 0 FBADHN C[C@@H]1C(=O)Nc2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc2N1C ZINC000568783064 485308673 /nfs/dbraw/zinc/30/86/73/485308673.db2.gz LSQHWROCFDUVNF-WXHSDQCUSA-N 0 3 357.414 -0.153 20 0 FBADHN CC[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568783065 485307949 /nfs/dbraw/zinc/30/79/49/485307949.db2.gz LSVFFZBPHNKVFZ-BBBLOLIVSA-N 0 3 350.341 -0.396 20 0 FBADHN CC[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568783066 485309558 /nfs/dbraw/zinc/30/95/58/485309558.db2.gz LSVFFZBPHNKVFZ-KXUCPTDWSA-N 0 3 350.341 -0.396 20 0 FBADHN CC[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568783067 485309261 /nfs/dbraw/zinc/30/92/61/485309261.db2.gz LSVFFZBPHNKVFZ-OPRDCNLKSA-N 0 3 350.341 -0.396 20 0 FBADHN CC[C@H](CC(F)(F)F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568783068 485309924 /nfs/dbraw/zinc/30/99/24/485309924.db2.gz LSVFFZBPHNKVFZ-UTLUCORTSA-N 0 3 350.341 -0.396 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000568783574 485309020 /nfs/dbraw/zinc/30/90/20/485309020.db2.gz YDIJPNNKXAHYGX-KBPBESRZSA-N 0 3 373.413 -0.855 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000568783575 485309124 /nfs/dbraw/zinc/30/91/24/485309124.db2.gz YDIJPNNKXAHYGX-KGLIPLIRSA-N 0 3 373.413 -0.855 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000568783576 485309917 /nfs/dbraw/zinc/30/99/17/485309917.db2.gz YDIJPNNKXAHYGX-UONOGXRCSA-N 0 3 373.413 -0.855 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000568783577 485309877 /nfs/dbraw/zinc/30/98/77/485309877.db2.gz YDIJPNNKXAHYGX-ZIAGYGMSSA-N 0 3 373.413 -0.855 20 0 FBADHN Cn1cnc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000568787745 484086935 /nfs/dbraw/zinc/08/69/35/484086935.db2.gz QMPAUYWBESMOSU-HNNXBMFYSA-N 0 3 372.429 0.161 20 0 FBADHN Cn1cnc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000568787748 484087785 /nfs/dbraw/zinc/08/77/85/484087785.db2.gz QMPAUYWBESMOSU-OAHLLOKOSA-N 0 3 372.429 0.161 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NCCOCCN(C)C)[C@@H](C)C1=O ZINC000568790975 485309198 /nfs/dbraw/zinc/30/91/98/485309198.db2.gz DKAKKHDRYFXDBJ-AWEZNQCLSA-N 0 3 356.467 -0.604 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NCCOCCN(C)C)[C@H](C)C1=O ZINC000568790976 485309183 /nfs/dbraw/zinc/30/91/83/485309183.db2.gz DKAKKHDRYFXDBJ-CQSZACIVSA-N 0 3 356.467 -0.604 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000568793607 485309503 /nfs/dbraw/zinc/30/95/03/485309503.db2.gz STEMVVTVFAXDJK-UHFFFAOYSA-N 0 3 356.467 -0.414 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000568798450 485309488 /nfs/dbraw/zinc/30/94/88/485309488.db2.gz UZEUUAIBONTXKI-UHFFFAOYSA-N 0 3 363.374 -0.941 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)NCc1ccncc1OCCN(C)C ZINC000568798510 485309643 /nfs/dbraw/zinc/30/96/43/485309643.db2.gz XWOVWXCXXLQAMJ-UHFFFAOYSA-N 0 3 358.464 -0.080 20 0 FBADHN CCC(CC)[C@H](CNC(=O)NCC(=O)N1CCNCC1)N1CCOCC1 ZINC000568847277 485310189 /nfs/dbraw/zinc/31/01/89/485310189.db2.gz DDHYEAONGSAXLH-INIZCTEOSA-N 0 3 369.510 -0.146 20 0 FBADHN CCC(CC)[C@@H](CNC(=O)NCC(=O)N1CCNCC1)N1CCOCC1 ZINC000568847278 485310791 /nfs/dbraw/zinc/31/07/91/485310791.db2.gz DDHYEAONGSAXLH-MRXNPFEDSA-N 0 3 369.510 -0.146 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc4nccn4c3)C[C@H]2N)cn1 ZINC000568857228 485310707 /nfs/dbraw/zinc/31/07/07/485310707.db2.gz YYVJQVBEJOVDSN-UONOGXRCSA-N 0 3 353.386 -0.040 20 0 FBADHN Cn1ccnc(NC[C@H]2CN(C(=O)C34CCCN3CCC4)CCO2)c1=O ZINC000568866569 484069704 /nfs/dbraw/zinc/06/97/04/484069704.db2.gz BSJIJJWSSNYNJL-AWEZNQCLSA-N 0 3 361.446 0.048 20 0 FBADHN Cn1ccnc(NC[C@@H]2CN(C(=O)C34CCCN3CCC4)CCO2)c1=O ZINC000568866571 484062811 /nfs/dbraw/zinc/06/28/11/484062811.db2.gz BSJIJJWSSNYNJL-CQSZACIVSA-N 0 3 361.446 0.048 20 0 FBADHN Cc1nn(C)c(C)c1CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000568869511 485311241 /nfs/dbraw/zinc/31/12/41/485311241.db2.gz OGONHXSWLXYRNP-UHFFFAOYSA-N 0 3 362.478 -0.497 20 0 FBADHN O=C(CCOC1CNC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000568870759 485311293 /nfs/dbraw/zinc/31/12/93/485311293.db2.gz PGQWRBUQCUQKLQ-UHFFFAOYSA-N 0 3 353.444 -0.102 20 0 FBADHN O=C(CCC(=O)N[C@@H]1CNCCC1(F)F)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000568882282 484217900 /nfs/dbraw/zinc/21/79/00/484217900.db2.gz VWVMBEUIXSNUHK-SECBINFHSA-N 0 3 368.344 0.496 20 0 FBADHN O=C(CCC(=O)N[C@H]1CNCCC1(F)F)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000568882286 484217863 /nfs/dbraw/zinc/21/78/63/484217863.db2.gz VWVMBEUIXSNUHK-VIFPVBQESA-N 0 3 368.344 0.496 20 0 FBADHN Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000568883176 484449386 /nfs/dbraw/zinc/44/93/86/484449386.db2.gz FDXYLGHYZOVRAW-PSASIEDQSA-N 0 3 362.419 0.012 20 0 FBADHN Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000568883177 484449622 /nfs/dbraw/zinc/44/96/22/484449622.db2.gz FDXYLGHYZOVRAW-SCZZXKLOSA-N 0 3 362.419 0.012 20 0 FBADHN Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000568883178 484449642 /nfs/dbraw/zinc/44/96/42/484449642.db2.gz FDXYLGHYZOVRAW-WCBMZHEXSA-N 0 3 362.419 0.012 20 0 FBADHN Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000568883180 484449201 /nfs/dbraw/zinc/44/92/01/484449201.db2.gz FDXYLGHYZOVRAW-WPRPVWTQSA-N 0 3 362.419 0.012 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn2ccnc12 ZINC000568883219 485311641 /nfs/dbraw/zinc/31/16/41/485311641.db2.gz FUSRLQZIHFLLCU-CHWSQXEVSA-N 0 3 356.386 -0.648 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn2ccnc12 ZINC000568883220 485311340 /nfs/dbraw/zinc/31/13/40/485311340.db2.gz FUSRLQZIHFLLCU-OLZOCXBDSA-N 0 3 356.386 -0.648 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn2ccnc12 ZINC000568883221 485311000 /nfs/dbraw/zinc/31/10/00/485311000.db2.gz FUSRLQZIHFLLCU-QWHCGFSZSA-N 0 3 356.386 -0.648 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn2ccnc12 ZINC000568883222 485311453 /nfs/dbraw/zinc/31/14/53/485311453.db2.gz FUSRLQZIHFLLCU-STQMWFEESA-N 0 3 356.386 -0.648 20 0 FBADHN CC(=O)NCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000568884402 485311107 /nfs/dbraw/zinc/31/11/07/485311107.db2.gz NPQLITXFJBTKIM-DZGCQCFKSA-N 0 3 350.394 -0.327 20 0 FBADHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CCOC2CNC2)c1 ZINC000568884723 485311620 /nfs/dbraw/zinc/31/16/20/485311620.db2.gz ZABRIXSTWQDMAO-UHFFFAOYSA-N 0 3 371.415 -0.545 20 0 FBADHN COc1ccc(C)cc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568884922 485311594 /nfs/dbraw/zinc/31/15/94/485311594.db2.gz ABGBLUCPJGQELF-CABCVRRESA-N 0 3 374.441 -0.567 20 0 FBADHN COc1ccc(C)cc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568884923 485311576 /nfs/dbraw/zinc/31/15/76/485311576.db2.gz ABGBLUCPJGQELF-GJZGRUSLSA-N 0 3 374.441 -0.567 20 0 FBADHN COc1ccc(C)cc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568884924 485311398 /nfs/dbraw/zinc/31/13/98/485311398.db2.gz ABGBLUCPJGQELF-HUUCEWRRSA-N 0 3 374.441 -0.567 20 0 FBADHN COc1ccc(C)cc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568884925 485311549 /nfs/dbraw/zinc/31/15/49/485311549.db2.gz ABGBLUCPJGQELF-LSDHHAIUSA-N 0 3 374.441 -0.567 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CCN2C1=O ZINC000568886612 485310971 /nfs/dbraw/zinc/31/09/71/485310971.db2.gz YJENCGXLCIXVBJ-ARFHVFGLSA-N 0 3 374.441 -0.613 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CCN2C1=O ZINC000568886613 485311057 /nfs/dbraw/zinc/31/10/57/485311057.db2.gz YJENCGXLCIXVBJ-BZUAXINKSA-N 0 3 374.441 -0.613 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CCN2C1=O ZINC000568886614 485311138 /nfs/dbraw/zinc/31/11/38/485311138.db2.gz YJENCGXLCIXVBJ-OAGGEKHMSA-N 0 3 374.441 -0.613 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CCN2C1=O ZINC000568886615 485311628 /nfs/dbraw/zinc/31/16/28/485311628.db2.gz YJENCGXLCIXVBJ-XHSDSOJGSA-N 0 3 374.441 -0.613 20 0 FBADHN CN(C)c1nc(N)nc(C(=O)NCC(=O)NCCN2CCCCCC2)n1 ZINC000568894499 484499207 /nfs/dbraw/zinc/49/92/07/484499207.db2.gz UFKPZAJKGNKCOM-UHFFFAOYSA-N 0 3 364.454 -0.758 20 0 FBADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000568897170 485312546 /nfs/dbraw/zinc/31/25/46/485312546.db2.gz DRSZFANNKGXJOM-AWEZNQCLSA-N 0 3 367.494 -0.792 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000568897171 485312455 /nfs/dbraw/zinc/31/24/55/485312455.db2.gz DRSZFANNKGXJOM-CQSZACIVSA-N 0 3 367.494 -0.792 20 0 FBADHN COc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000568902012 485312529 /nfs/dbraw/zinc/31/25/29/485312529.db2.gz RIYMSUMTTKYWMS-NEPJUHHUSA-N 0 3 369.443 -0.055 20 0 FBADHN COc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000568902013 485312498 /nfs/dbraw/zinc/31/24/98/485312498.db2.gz RIYMSUMTTKYWMS-NWDGAFQWSA-N 0 3 369.443 -0.055 20 0 FBADHN COc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000568902014 485312469 /nfs/dbraw/zinc/31/24/69/485312469.db2.gz RIYMSUMTTKYWMS-RYUDHWBXSA-N 0 3 369.443 -0.055 20 0 FBADHN COc1cc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000568902015 485312509 /nfs/dbraw/zinc/31/25/09/485312509.db2.gz RIYMSUMTTKYWMS-VXGBXAGGSA-N 0 3 369.443 -0.055 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCNC(=O)CC3CCCC3)CCN2C1=O ZINC000568902264 485312118 /nfs/dbraw/zinc/31/21/18/485312118.db2.gz AYDJITMWFLKOJV-KBPBESRZSA-N 0 3 351.451 -0.364 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNC(=O)CC3CCCC3)CCN2C1=O ZINC000568902265 485312062 /nfs/dbraw/zinc/31/20/62/485312062.db2.gz AYDJITMWFLKOJV-KGLIPLIRSA-N 0 3 351.451 -0.364 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNC(=O)CC3CCCC3)CCN2C1=O ZINC000568902266 485312425 /nfs/dbraw/zinc/31/24/25/485312425.db2.gz AYDJITMWFLKOJV-UONOGXRCSA-N 0 3 351.451 -0.364 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNC(=O)CC3CCCC3)CCN2C1=O ZINC000568902267 485312478 /nfs/dbraw/zinc/31/24/78/485312478.db2.gz AYDJITMWFLKOJV-ZIAGYGMSSA-N 0 3 351.451 -0.364 20 0 FBADHN CC[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C(=O)N1CCOCC1 ZINC000568906309 485312349 /nfs/dbraw/zinc/31/23/49/485312349.db2.gz SLWOYLZKMQPDDB-ILXRZTDVSA-N 0 3 368.478 -0.461 20 0 FBADHN CC[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000568906311 485311933 /nfs/dbraw/zinc/31/19/33/485311933.db2.gz SLWOYLZKMQPDDB-KKUMJFAQSA-N 0 3 368.478 -0.461 20 0 FBADHN CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)C(=O)N1CCOCC1 ZINC000568906313 485312105 /nfs/dbraw/zinc/31/21/05/485312105.db2.gz SLWOYLZKMQPDDB-QLFBSQMISA-N 0 3 368.478 -0.461 20 0 FBADHN CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000568906314 485312358 /nfs/dbraw/zinc/31/23/58/485312358.db2.gz SLWOYLZKMQPDDB-SOUVJXGZSA-N 0 3 368.478 -0.461 20 0 FBADHN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000568906977 485312495 /nfs/dbraw/zinc/31/24/95/485312495.db2.gz VONFPAMROLTOBF-HRCADAONSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000568906982 485312300 /nfs/dbraw/zinc/31/23/00/485312300.db2.gz VONFPAMROLTOBF-JYJNAYRXSA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](C)O)CN1CCN(C)CC1 ZINC000568906983 485312317 /nfs/dbraw/zinc/31/23/17/485312317.db2.gz VONFPAMROLTOBF-OWCLPIDISA-N 0 3 354.495 -0.252 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@H](C)O)CN1CCN(C)CC1 ZINC000568906984 485312259 /nfs/dbraw/zinc/31/22/59/485312259.db2.gz VONFPAMROLTOBF-PMPSAXMXSA-N 0 3 354.495 -0.252 20 0 FBADHN CN1CC[C@](O)(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000568922171 485313425 /nfs/dbraw/zinc/31/34/25/485313425.db2.gz PDHDMADDVOOISS-AWEZNQCLSA-N 0 3 361.851 -0.199 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000568922172 485313241 /nfs/dbraw/zinc/31/32/41/485313241.db2.gz PDHDMADDVOOISS-CQSZACIVSA-N 0 3 361.851 -0.199 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000568922478 485313338 /nfs/dbraw/zinc/31/33/38/485313338.db2.gz VHUYKPCDZYMMNP-AWEZNQCLSA-N 0 3 370.475 -0.431 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000568922482 485313436 /nfs/dbraw/zinc/31/34/36/485313436.db2.gz VHUYKPCDZYMMNP-CQSZACIVSA-N 0 3 370.475 -0.431 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000568931299 485313213 /nfs/dbraw/zinc/31/32/13/485313213.db2.gz CQNORBMFWCADJK-CHWSQXEVSA-N 0 3 364.450 -0.544 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000568931304 485313665 /nfs/dbraw/zinc/31/36/65/485313665.db2.gz CQNORBMFWCADJK-OLZOCXBDSA-N 0 3 364.450 -0.544 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000568931306 485313061 /nfs/dbraw/zinc/31/30/61/485313061.db2.gz CQNORBMFWCADJK-QWHCGFSZSA-N 0 3 364.450 -0.544 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000568931308 485313083 /nfs/dbraw/zinc/31/30/83/485313083.db2.gz CQNORBMFWCADJK-STQMWFEESA-N 0 3 364.450 -0.544 20 0 FBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000568948878 485312921 /nfs/dbraw/zinc/31/29/21/485312921.db2.gz XCENEFFTMZKOGT-UHFFFAOYSA-N 0 3 372.557 -0.977 20 0 FBADHN CN(C)[C@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C[C@@H]1O ZINC000568950793 485313564 /nfs/dbraw/zinc/31/35/64/485313564.db2.gz WGEBPJRTLIRUGX-KBPBESRZSA-N 0 3 366.447 -0.828 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)CC1=O ZINC000568962996 485314457 /nfs/dbraw/zinc/31/44/57/485314457.db2.gz KZCPNWYBQZBYJD-HZSPNIEDSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)CC1=O ZINC000568962998 485314627 /nfs/dbraw/zinc/31/46/27/485314627.db2.gz KZCPNWYBQZBYJD-MCIONIFRSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)CC1=O ZINC000568962999 485314470 /nfs/dbraw/zinc/31/44/70/485314470.db2.gz KZCPNWYBQZBYJD-MGPQQGTHSA-N 0 3 357.476 -0.425 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)CC1=O ZINC000568963001 485314438 /nfs/dbraw/zinc/31/44/38/485314438.db2.gz KZCPNWYBQZBYJD-RDBSUJKOSA-N 0 3 357.476 -0.425 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2cc(F)c(F)c(F)c2)[C@H](CN)C1 ZINC000568967380 485314581 /nfs/dbraw/zinc/31/45/81/485314581.db2.gz VOJIWWBJDWBJNH-LLVKDONJSA-N 0 3 358.364 -0.136 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2cc(F)c(F)c(F)c2)[C@@H](CN)C1 ZINC000568967381 485314564 /nfs/dbraw/zinc/31/45/64/485314564.db2.gz VOJIWWBJDWBJNH-NSHDSACASA-N 0 3 358.364 -0.136 20 0 FBADHN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)NC2CNC2)cc1 ZINC000568976380 485313883 /nfs/dbraw/zinc/31/38/83/485313883.db2.gz VIPVZQUVXSZCKF-UHFFFAOYSA-N 0 3 367.471 -0.038 20 0 FBADHN O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCN(CC2CCOCC2)CC1 ZINC000568987883 485314101 /nfs/dbraw/zinc/31/41/01/485314101.db2.gz RFHGVMTUZLIHLU-CALCHBBNSA-N 0 3 364.490 -0.090 20 0 FBADHN COc1c(C)cnc(CN(C)C(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1C ZINC000568988773 485314706 /nfs/dbraw/zinc/31/47/06/485314706.db2.gz HVCOKFBCFKPWBM-AWEZNQCLSA-N 0 3 363.462 -0.233 20 0 FBADHN COc1c(C)cnc(CN(C)C(=O)C(=O)N2CCN(C)C[C@H]2CN)c1C ZINC000568988774 485314418 /nfs/dbraw/zinc/31/44/18/485314418.db2.gz HVCOKFBCFKPWBM-CQSZACIVSA-N 0 3 363.462 -0.233 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000569003029 485315615 /nfs/dbraw/zinc/31/56/15/485315615.db2.gz LFUQUFURSCEWLY-HNNXBMFYSA-N 0 3 374.438 -0.086 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000569003030 485315657 /nfs/dbraw/zinc/31/56/57/485315657.db2.gz LFUQUFURSCEWLY-OAHLLOKOSA-N 0 3 374.438 -0.086 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC1 ZINC000569003428 485315226 /nfs/dbraw/zinc/31/52/26/485315226.db2.gz PCYOLONIHLLLLL-CHWSQXEVSA-N 0 3 352.435 -0.920 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC1 ZINC000569003429 485314887 /nfs/dbraw/zinc/31/48/87/485314887.db2.gz PCYOLONIHLLLLL-OLZOCXBDSA-N 0 3 352.435 -0.920 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC1 ZINC000569003430 485315623 /nfs/dbraw/zinc/31/56/23/485315623.db2.gz PCYOLONIHLLLLL-QWHCGFSZSA-N 0 3 352.435 -0.920 20 0 FBADHN COCCC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC1 ZINC000569003431 485315133 /nfs/dbraw/zinc/31/51/33/485315133.db2.gz PCYOLONIHLLLLL-STQMWFEESA-N 0 3 352.435 -0.920 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000569021126 485316743 /nfs/dbraw/zinc/31/67/43/485316743.db2.gz QZCASWCGNFGWLH-UHFFFAOYSA-N 0 3 355.464 -0.281 20 0 FBADHN COCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000569021404 485316768 /nfs/dbraw/zinc/31/67/68/485316768.db2.gz YBIIISDJSQXRBO-DZGCQCFKSA-N 0 3 353.444 -0.192 20 0 FBADHN COCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000569021405 485316673 /nfs/dbraw/zinc/31/66/73/485316673.db2.gz YBIIISDJSQXRBO-HIFRSBDPSA-N 0 3 353.444 -0.192 20 0 FBADHN COCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000569021406 485316614 /nfs/dbraw/zinc/31/66/14/485316614.db2.gz YBIIISDJSQXRBO-UKRRQHHQSA-N 0 3 353.444 -0.192 20 0 FBADHN COCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000569021407 485316843 /nfs/dbraw/zinc/31/68/43/485316843.db2.gz YBIIISDJSQXRBO-ZFWWWQNUSA-N 0 3 353.444 -0.192 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)CCC4)CCN2C1=O ZINC000569022177 485316895 /nfs/dbraw/zinc/31/68/95/485316895.db2.gz VHPWDUMUAWZESK-DZGCQCFKSA-N 0 3 370.409 -0.086 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)CCC4)CCN2C1=O ZINC000569022178 485316737 /nfs/dbraw/zinc/31/67/37/485316737.db2.gz VHPWDUMUAWZESK-HIFRSBDPSA-N 0 3 370.409 -0.086 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)CCC4)CCN2C1=O ZINC000569022179 485316604 /nfs/dbraw/zinc/31/66/04/485316604.db2.gz VHPWDUMUAWZESK-UKRRQHHQSA-N 0 3 370.409 -0.086 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)CCC4)CCN2C1=O ZINC000569022180 485316374 /nfs/dbraw/zinc/31/63/74/485316374.db2.gz VHPWDUMUAWZESK-ZFWWWQNUSA-N 0 3 370.409 -0.086 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1C1CC1 ZINC000569026653 485316138 /nfs/dbraw/zinc/31/61/38/485316138.db2.gz QNBIPRGPSJUNHS-CABCVRRESA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1C1CC1 ZINC000569026654 485316561 /nfs/dbraw/zinc/31/65/61/485316561.db2.gz QNBIPRGPSJUNHS-GJZGRUSLSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1C1CC1 ZINC000569026655 485316316 /nfs/dbraw/zinc/31/63/16/485316316.db2.gz QNBIPRGPSJUNHS-HUUCEWRRSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)CN1C1CC1 ZINC000569026656 485316495 /nfs/dbraw/zinc/31/64/95/485316495.db2.gz QNBIPRGPSJUNHS-LSDHHAIUSA-N 0 3 352.479 -0.044 20 0 FBADHN CCN1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1=O ZINC000569027660 485316243 /nfs/dbraw/zinc/31/62/43/485316243.db2.gz VEFAQXUEGRAVSS-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CCN1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1=O ZINC000569027661 485316600 /nfs/dbraw/zinc/31/66/00/485316600.db2.gz VEFAQXUEGRAVSS-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CN1CCN(C[C@H](O)CNCc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000569029749 485316642 /nfs/dbraw/zinc/31/66/42/485316642.db2.gz CQZNLYDERKOWLI-GOSISDBHSA-N 0 3 362.522 -0.469 20 0 FBADHN CN1CCN(C[C@@H](O)CNCc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000569029755 485316683 /nfs/dbraw/zinc/31/66/83/485316683.db2.gz CQZNLYDERKOWLI-SFHVURJKSA-N 0 3 362.522 -0.469 20 0 FBADHN CCC1(CC)NC(=O)N(CC(=O)NC[C@]2(O)CN3CCC2CC3)C1=O ZINC000569039371 485316538 /nfs/dbraw/zinc/31/65/38/485316538.db2.gz WESVUXIFXMPCAH-KRWDZBQOSA-N 0 3 352.435 -0.330 20 0 FBADHN CCC1(CC)NC(=O)N(CC(=O)NC[C@@]2(O)CN3CCC2CC3)C1=O ZINC000569039372 485316462 /nfs/dbraw/zinc/31/64/62/485316462.db2.gz WESVUXIFXMPCAH-QGZVFWFLSA-N 0 3 352.435 -0.330 20 0 FBADHN Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CCC2 ZINC000569048996 485316709 /nfs/dbraw/zinc/31/67/09/485316709.db2.gz XDHSTXAZDHWPNC-CABCVRRESA-N 0 3 363.462 -0.026 20 0 FBADHN Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CCC2 ZINC000569049004 485316722 /nfs/dbraw/zinc/31/67/22/485316722.db2.gz XDHSTXAZDHWPNC-GJZGRUSLSA-N 0 3 363.462 -0.026 20 0 FBADHN Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCO[C@H](CN(C)C)C1)CCC2 ZINC000569049007 485316157 /nfs/dbraw/zinc/31/61/57/485316157.db2.gz XDHSTXAZDHWPNC-HUUCEWRRSA-N 0 3 363.462 -0.026 20 0 FBADHN Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CCO[C@H](CN(C)C)C1)CCC2 ZINC000569049010 485316222 /nfs/dbraw/zinc/31/62/22/485316222.db2.gz XDHSTXAZDHWPNC-LSDHHAIUSA-N 0 3 363.462 -0.026 20 0 FBADHN CCCCn1c2nc(CN3C[C@H](O)[C@@H](N(C)C)C3)n(C)c2c(=O)[nH]c1=O ZINC000569069989 485317928 /nfs/dbraw/zinc/31/79/28/485317928.db2.gz PGTDXUGXVQPPFO-RYUDHWBXSA-N 0 3 364.450 -0.258 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)C[C@@H]21 ZINC000569078790 484148886 /nfs/dbraw/zinc/14/88/86/484148886.db2.gz WMDCBOZEXORFGC-CABCVRRESA-N 0 3 354.414 0.427 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000569083422 484095003 /nfs/dbraw/zinc/09/50/03/484095003.db2.gz NCHRWLCEZXMGCA-KBPBESRZSA-N 0 3 366.466 0.450 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000569083423 484171580 /nfs/dbraw/zinc/17/15/80/484171580.db2.gz NCHRWLCEZXMGCA-KGLIPLIRSA-N 0 3 366.466 0.450 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000569083424 484095444 /nfs/dbraw/zinc/09/54/44/484095444.db2.gz NCHRWLCEZXMGCA-UONOGXRCSA-N 0 3 366.466 0.450 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000569083425 484172248 /nfs/dbraw/zinc/17/22/48/484172248.db2.gz NCHRWLCEZXMGCA-ZIAGYGMSSA-N 0 3 366.466 0.450 20 0 FBADHN CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC000569084515 485317865 /nfs/dbraw/zinc/31/78/65/485317865.db2.gz JZMFVZCOTMAFNO-INIZCTEOSA-N 0 3 372.491 -0.966 20 0 FBADHN CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC000569084518 485317661 /nfs/dbraw/zinc/31/76/61/485317661.db2.gz JZMFVZCOTMAFNO-MRXNPFEDSA-N 0 3 372.491 -0.966 20 0 FBADHN CS[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000569084670 485317194 /nfs/dbraw/zinc/31/71/94/485317194.db2.gz DXJYNEMLXCCJDT-AWEZNQCLSA-N 0 3 368.503 -0.283 20 0 FBADHN CS[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000569084671 485317893 /nfs/dbraw/zinc/31/78/93/485317893.db2.gz DXJYNEMLXCCJDT-CQSZACIVSA-N 0 3 368.503 -0.283 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(Cn3cccn3)cc2)[C@@H](CN)C1 ZINC000569086995 485317839 /nfs/dbraw/zinc/31/78/39/485317839.db2.gz OTXNEXJVCVOJDS-KRWDZBQOSA-N 0 3 370.457 -0.351 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(Cn3cccn3)cc2)[C@H](CN)C1 ZINC000569086996 485317424 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Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000569119608 485318657 /nfs/dbraw/zinc/31/86/57/485318657.db2.gz UTHGBEVMLVEADA-LBPRGKRZSA-N 0 3 356.448 -0.386 20 0 FBADHN CN(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000569119863 485318402 /nfs/dbraw/zinc/31/84/02/485318402.db2.gz WPNOXOZWCPSMSB-STQMWFEESA-N 0 3 361.851 -0.248 20 0 FBADHN C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1F)C(=O)NCCN(C)C ZINC000569120195 485318384 /nfs/dbraw/zinc/31/83/84/485318384.db2.gz YUOMDNCWPBGUFU-LLVKDONJSA-N 0 3 374.438 -0.714 20 0 FBADHN C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)C(=O)NCCN(C)C ZINC000569120197 485318603 /nfs/dbraw/zinc/31/86/03/485318603.db2.gz YUOMDNCWPBGUFU-NSHDSACASA-N 0 3 374.438 -0.714 20 0 FBADHN CCCOc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000569121331 485318476 /nfs/dbraw/zinc/31/84/76/485318476.db2.gz IVMCMMKXJMTUBL-GDBMZVCRSA-N 0 3 374.441 -0.138 20 0 FBADHN CCCOc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000569121332 485318520 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483781071 /nfs/dbraw/zinc/78/10/71/483781071.db2.gz XLEJNVNAUZYZHX-CHWSQXEVSA-N 0 3 364.489 -0.835 20 0 FBADHN O=S(=O)(C[C@@H](O)CNC[C@@H](O)CN1CCOCC1)c1cccs1 ZINC000569363037 483780879 /nfs/dbraw/zinc/78/08/79/483780879.db2.gz XLEJNVNAUZYZHX-OLZOCXBDSA-N 0 3 364.489 -0.835 20 0 FBADHN O=S(=O)(C[C@H](O)CNC[C@H](O)CN1CCOCC1)c1cccs1 ZINC000569363038 483780938 /nfs/dbraw/zinc/78/09/38/483780938.db2.gz XLEJNVNAUZYZHX-QWHCGFSZSA-N 0 3 364.489 -0.835 20 0 FBADHN O=S(=O)(C[C@@H](O)CNC[C@H](O)CN1CCOCC1)c1cccs1 ZINC000569363039 483780818 /nfs/dbraw/zinc/78/08/18/483780818.db2.gz XLEJNVNAUZYZHX-STQMWFEESA-N 0 3 364.489 -0.835 20 0 FBADHN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](N)CCC(=O)OC ZINC000569363730 483780972 /nfs/dbraw/zinc/78/09/72/483780972.db2.gz MHMCHJDBUVTKIW-GFCCVEGCSA-N 0 3 355.416 -0.236 20 0 FBADHN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](N)CCC(=O)OC ZINC000569363732 483780850 /nfs/dbraw/zinc/78/08/50/483780850.db2.gz MHMCHJDBUVTKIW-LBPRGKRZSA-N 0 3 355.416 -0.236 20 0 FBADHN NC1(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCC1 ZINC000569364578 483781734 /nfs/dbraw/zinc/78/17/34/483781734.db2.gz NVMZRVGLQFVIDO-UHFFFAOYSA-N 0 3 352.416 -0.373 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)N[C@H](CO)CN1CCCCC1 ZINC000569365953 483782829 /nfs/dbraw/zinc/78/28/29/483782829.db2.gz MFXJVGSUZGJUNA-AWEZNQCLSA-N 0 3 355.460 -0.072 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)N[C@@H](CO)CN1CCCCC1 ZINC000569365954 483783066 /nfs/dbraw/zinc/78/30/66/483783066.db2.gz MFXJVGSUZGJUNA-CQSZACIVSA-N 0 3 355.460 -0.072 20 0 FBADHN C[C@@H](C(=O)NC[C@@]1(O)CN2CCC1CC2)N1C(=O)NC2(CCCC2)C1=O ZINC000569376685 483783368 /nfs/dbraw/zinc/78/33/68/483783368.db2.gz DBLWILXTIAFFOS-KPZWWZAWSA-N 0 3 364.446 -0.188 20 0 FBADHN C[C@H](C(=O)NC[C@@]1(O)CN2CCC1CC2)N1C(=O)NC2(CCCC2)C1=O ZINC000569376686 483783616 /nfs/dbraw/zinc/78/36/16/483783616.db2.gz DBLWILXTIAFFOS-KZULUSFZSA-N 0 3 364.446 -0.188 20 0 FBADHN C[C@@H](C(=O)NC[C@]1(O)CN2CCC1CC2)N1C(=O)NC2(CCCC2)C1=O ZINC000569376687 483783334 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ZINC000569600802 483829069 /nfs/dbraw/zinc/82/90/69/483829069.db2.gz ZOCLUDAJVGMQCW-LLVKDONJSA-N 0 3 351.455 -0.827 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCN(C(C)(C)C)C2=O)n1 ZINC000569600806 483828907 /nfs/dbraw/zinc/82/89/07/483828907.db2.gz ZOCLUDAJVGMQCW-NSHDSACASA-N 0 3 351.455 -0.827 20 0 FBADHN COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000569612960 483832809 /nfs/dbraw/zinc/83/28/09/483832809.db2.gz BAHKKNMVEZDODB-CABCVRRESA-N 0 3 359.467 -0.278 20 0 FBADHN COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000569612962 483832636 /nfs/dbraw/zinc/83/26/36/483832636.db2.gz BAHKKNMVEZDODB-GJZGRUSLSA-N 0 3 359.467 -0.278 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000569612964 483832168 /nfs/dbraw/zinc/83/21/68/483832168.db2.gz BAHKKNMVEZDODB-HUUCEWRRSA-N 0 3 359.467 -0.278 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000569612966 483832363 /nfs/dbraw/zinc/83/23/63/483832363.db2.gz BAHKKNMVEZDODB-LSDHHAIUSA-N 0 3 359.467 -0.278 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCOc4ccccc43)CCN2C1=O ZINC000569625326 483902430 /nfs/dbraw/zinc/90/24/30/483902430.db2.gz TUEUFMHFTGZJPG-GZBFAFLISA-N 0 3 372.425 -0.561 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCOc4ccccc43)CCN2C1=O ZINC000569625329 483902724 /nfs/dbraw/zinc/90/27/24/483902724.db2.gz TUEUFMHFTGZJPG-KCQAQPDRSA-N 0 3 372.425 -0.561 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCOc4ccccc43)CCN2C1=O ZINC000569625331 483902240 /nfs/dbraw/zinc/90/22/40/483902240.db2.gz TUEUFMHFTGZJPG-UMVBOHGHSA-N 0 3 372.425 -0.561 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CCOc4ccccc43)CCN2C1=O ZINC000569625333 483902052 /nfs/dbraw/zinc/90/20/52/483902052.db2.gz TUEUFMHFTGZJPG-VNHYZAJKSA-N 0 3 372.425 -0.561 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CCCCC1 ZINC000569634184 483954757 /nfs/dbraw/zinc/95/47/57/483954757.db2.gz SFIFZVBJMHIMKA-UHFFFAOYSA-N 0 3 362.496 -0.577 20 0 FBADHN COc1cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1C ZINC000569641986 484415923 /nfs/dbraw/zinc/41/59/23/484415923.db2.gz WAVLMAAEIRWVFT-UHFFFAOYSA-N 0 3 350.423 0.201 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000569642949 484066644 /nfs/dbraw/zinc/06/66/44/484066644.db2.gz IIOLAMNIVDNCID-CYBMUJFWSA-N 0 3 371.463 -0.406 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000569642950 484067113 /nfs/dbraw/zinc/06/71/13/484067113.db2.gz IIOLAMNIVDNCID-ZDUSSCGKSA-N 0 3 371.463 -0.406 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000569646084 484068907 /nfs/dbraw/zinc/06/89/07/484068907.db2.gz IOZHVRZUKPTJSF-UHFFFAOYSA-N 0 3 367.494 -0.933 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000569652381 484089030 /nfs/dbraw/zinc/08/90/30/484089030.db2.gz BJQXIAUMJITVCK-UHFFFAOYSA-N 0 3 350.467 0.188 20 0 FBADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000569674282 484085256 /nfs/dbraw/zinc/08/52/56/484085256.db2.gz BLEMHDJADHJNAD-JTQLQIEISA-N 0 3 354.432 -0.210 20 0 FBADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000569674283 484086047 /nfs/dbraw/zinc/08/60/47/484086047.db2.gz BLEMHDJADHJNAD-SNVBAGLBSA-N 0 3 354.432 -0.210 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000569677633 484090654 /nfs/dbraw/zinc/09/06/54/484090654.db2.gz GVFBTCLSBGPPOG-UHFFFAOYSA-N 0 3 352.341 -0.663 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(CC4CCOCC4)CC3)C[C@@H]21 ZINC000569685729 484094041 /nfs/dbraw/zinc/09/40/41/484094041.db2.gz YVARBUGVMBJTMK-SJORKVTESA-N 0 3 364.490 -0.280 20 0 FBADHN CN(C)CCOc1ccc(CCNC(=O)C(=O)Nc2ncn(C)n2)cc1 ZINC000569693871 484093414 /nfs/dbraw/zinc/09/34/14/484093414.db2.gz XZLGHFZBDHNLOT-UHFFFAOYSA-N 0 3 360.418 0.053 20 0 FBADHN CCC[C@H]1CN(C(=O)NCC(=O)N2CCNCC2)CCN1CCOC ZINC000569698051 484108879 /nfs/dbraw/zinc/10/88/79/484108879.db2.gz PZGDDBBPUMYLLR-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN CCC[C@@H]1CN(C(=O)NCC(=O)N2CCNCC2)CCN1CCOC ZINC000569698052 484108688 /nfs/dbraw/zinc/10/86/88/484108688.db2.gz PZGDDBBPUMYLLR-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN O=C(NC1CCCCC1)NC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000569699114 484109665 /nfs/dbraw/zinc/10/96/65/484109665.db2.gz HQRQLIKBFAEPEQ-UHFFFAOYSA-N 0 3 351.451 -0.303 20 0 FBADHN C[C@@H](NC(=O)CCn1ncn(C)c1=O)C(=O)NCCN1CCCCC1 ZINC000569708221 484122624 /nfs/dbraw/zinc/12/26/24/484122624.db2.gz KFBSNRCWHCNZKL-CYBMUJFWSA-N 0 3 352.439 -0.921 20 0 FBADHN Cc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569710264 484126140 /nfs/dbraw/zinc/12/61/40/484126140.db2.gz HKOJPKJUVNRCLQ-AEGPPILISA-N 0 3 372.425 -0.295 20 0 FBADHN Cc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569710265 484126568 /nfs/dbraw/zinc/12/65/68/484126568.db2.gz HKOJPKJUVNRCLQ-BPLDGKMQSA-N 0 3 372.425 -0.295 20 0 FBADHN Cc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569710266 484126107 /nfs/dbraw/zinc/12/61/07/484126107.db2.gz HKOJPKJUVNRCLQ-NWANDNLSSA-N 0 3 372.425 -0.295 20 0 FBADHN Cc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569710267 484126591 /nfs/dbraw/zinc/12/65/91/484126591.db2.gz HKOJPKJUVNRCLQ-VHDGCEQUSA-N 0 3 372.425 -0.295 20 0 FBADHN Cc1csc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000569710599 484125789 /nfs/dbraw/zinc/12/57/89/484125789.db2.gz RRFZDDUHPQTFCV-ADEWGFFLSA-N 0 3 365.459 -0.558 20 0 FBADHN Cc1csc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000569710600 484125530 /nfs/dbraw/zinc/12/55/30/484125530.db2.gz RRFZDDUHPQTFCV-JLLWLGSASA-N 0 3 365.459 -0.558 20 0 FBADHN Cc1csc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000569710602 484126520 /nfs/dbraw/zinc/12/65/20/484126520.db2.gz RRFZDDUHPQTFCV-USWWRNFRSA-N 0 3 365.459 -0.558 20 0 FBADHN Cc1csc([C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000569710603 484125276 /nfs/dbraw/zinc/12/52/76/484125276.db2.gz RRFZDDUHPQTFCV-YUSALJHKSA-N 0 3 365.459 -0.558 20 0 FBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@@H]3CNCCO3)ccc21 ZINC000569713524 484129925 /nfs/dbraw/zinc/12/99/25/484129925.db2.gz YIICSKHAATXUCT-HNNXBMFYSA-N 0 3 360.414 -0.570 20 0 FBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@H]3CNCCO3)ccc21 ZINC000569713527 484128967 /nfs/dbraw/zinc/12/89/67/484128967.db2.gz YIICSKHAATXUCT-OAHLLOKOSA-N 0 3 360.414 -0.570 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCOCC3CCC3)C2)nn1 ZINC000569722949 484134969 /nfs/dbraw/zinc/13/49/69/484134969.db2.gz GNVHWJNIHFEQMT-HNNXBMFYSA-N 0 3 364.450 -0.167 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCOCC3CCC3)C2)nn1 ZINC000569722951 484134661 /nfs/dbraw/zinc/13/46/61/484134661.db2.gz GNVHWJNIHFEQMT-OAHLLOKOSA-N 0 3 364.450 -0.167 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000569723123 484135437 /nfs/dbraw/zinc/13/54/37/484135437.db2.gz GCIMQKBBWXHIIT-GFCCVEGCSA-N 0 3 360.480 -0.873 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000569723125 484134789 /nfs/dbraw/zinc/13/47/89/484134789.db2.gz GCIMQKBBWXHIIT-LBPRGKRZSA-N 0 3 360.480 -0.873 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)c2nc(N)nc(N(C)C)n2)CC1 ZINC000569734768 484524597 /nfs/dbraw/zinc/52/45/97/484524597.db2.gz KGKOUJFMNJWDLM-UHFFFAOYSA-N 0 3 365.438 -0.475 20 0 FBADHN Cc1c(C(=O)NC[C@]2(O)CN3CCC2CC3)cccc1S(N)(=O)=O ZINC000569740815 484136988 /nfs/dbraw/zinc/13/69/88/484136988.db2.gz WLSCQZPBYNBUHK-INIZCTEOSA-N 0 3 353.444 -0.171 20 0 FBADHN Cc1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)cccc1S(N)(=O)=O ZINC000569740818 484136646 /nfs/dbraw/zinc/13/66/46/484136646.db2.gz WLSCQZPBYNBUHK-MRXNPFEDSA-N 0 3 353.444 -0.171 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000569744090 484136168 /nfs/dbraw/zinc/13/61/68/484136168.db2.gz GMLMZDKTAWDERC-KFWWJZLASA-N 0 3 353.467 -0.703 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000569744099 484137032 /nfs/dbraw/zinc/13/70/32/484137032.db2.gz GMLMZDKTAWDERC-RBSFLKMASA-N 0 3 353.467 -0.703 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000569744100 484137101 /nfs/dbraw/zinc/13/71/01/484137101.db2.gz GMLMZDKTAWDERC-RRFJBIMHSA-N 0 3 353.467 -0.703 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000569744101 484136787 /nfs/dbraw/zinc/13/67/87/484136787.db2.gz GMLMZDKTAWDERC-ZNMIVQPWSA-N 0 3 353.467 -0.703 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C ZINC000569744110 658200812 /nfs/dbraw/zinc/20/08/12/658200812.db2.gz GUKCALAYBAFASA-BXUZGUMPSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C ZINC000569744113 658200695 /nfs/dbraw/zinc/20/06/95/658200695.db2.gz GUKCALAYBAFASA-FZMZJTMJSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C ZINC000569744115 658200880 /nfs/dbraw/zinc/20/08/80/658200880.db2.gz GUKCALAYBAFASA-RISCZKNCSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C ZINC000569744116 661733903 /nfs/dbraw/zinc/73/39/03/661733903.db2.gz GUKCALAYBAFASA-SMDDNHRTSA-N 0 3 367.427 -0.286 20 0 FBADHN COc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1nnn(C)n1 ZINC000569744729 484136684 /nfs/dbraw/zinc/13/66/84/484136684.db2.gz OOPWECVNTKPEOK-JTQLQIEISA-N 0 3 353.404 -0.162 20 0 FBADHN COc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1nnn(C)n1 ZINC000569744732 484137182 /nfs/dbraw/zinc/13/71/82/484137182.db2.gz OOPWECVNTKPEOK-SNVBAGLBSA-N 0 3 353.404 -0.162 20 0 FBADHN COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000569745353 484136239 /nfs/dbraw/zinc/13/62/39/484136239.db2.gz PTKRUYYQCYACBP-AAEUAGOBSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000569745354 484136723 /nfs/dbraw/zinc/13/67/23/484136723.db2.gz PTKRUYYQCYACBP-DGCLKSJQSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000569745355 484136833 /nfs/dbraw/zinc/13/68/33/484136833.db2.gz PTKRUYYQCYACBP-WCQYABFASA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000569745356 484136296 /nfs/dbraw/zinc/13/62/96/484136296.db2.gz PTKRUYYQCYACBP-YPMHNXCESA-N 0 3 371.390 -0.455 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOC3CCCCCC3)CCN2C1=O ZINC000569745932 484136766 /nfs/dbraw/zinc/13/67/66/484136766.db2.gz VPMACVJAQKEMMU-DZGCQCFKSA-N 0 3 366.462 -0.388 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOC3CCCCCC3)CCN2C1=O ZINC000569745935 484136617 /nfs/dbraw/zinc/13/66/17/484136617.db2.gz VPMACVJAQKEMMU-HIFRSBDPSA-N 0 3 366.462 -0.388 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOC3CCCCCC3)CCN2C1=O ZINC000569745936 484136311 /nfs/dbraw/zinc/13/63/11/484136311.db2.gz VPMACVJAQKEMMU-UKRRQHHQSA-N 0 3 366.462 -0.388 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOC3CCCCCC3)CCN2C1=O ZINC000569745937 484136327 /nfs/dbraw/zinc/13/63/27/484136327.db2.gz VPMACVJAQKEMMU-ZFWWWQNUSA-N 0 3 366.462 -0.388 20 0 FBADHN CC1(C)CN(CCNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000569750674 484136268 /nfs/dbraw/zinc/13/62/68/484136268.db2.gz QTERPTFBOVLIAW-UHFFFAOYSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)NCCN(C)C ZINC000569754964 484137806 /nfs/dbraw/zinc/13/78/06/484137806.db2.gz YSODVHHSOMFJQA-GFCCVEGCSA-N 0 3 367.450 -0.576 20 0 FBADHN C[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)NCCN(C)C ZINC000569754965 484137620 /nfs/dbraw/zinc/13/76/20/484137620.db2.gz YSODVHHSOMFJQA-LBPRGKRZSA-N 0 3 367.450 -0.576 20 0 FBADHN COC1(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC1 ZINC000569755954 484138422 /nfs/dbraw/zinc/13/84/22/484138422.db2.gz QRMGBUUHAQMURQ-AWEZNQCLSA-N 0 3 368.478 -0.269 20 0 FBADHN COC1(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000569755955 484138133 /nfs/dbraw/zinc/13/81/33/484138133.db2.gz QRMGBUUHAQMURQ-CQSZACIVSA-N 0 3 368.478 -0.269 20 0 FBADHN Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@@H]3CNCCO3)C2)cc1 ZINC000569794947 484141001 /nfs/dbraw/zinc/14/10/01/484141001.db2.gz SXNYSFFYKNWVHF-AWEZNQCLSA-N 0 3 368.459 -0.344 20 0 FBADHN Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@H]3CNCCO3)C2)cc1 ZINC000569794948 484141564 /nfs/dbraw/zinc/14/15/64/484141564.db2.gz SXNYSFFYKNWVHF-CQSZACIVSA-N 0 3 368.459 -0.344 20 0 FBADHN C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C)CN1CCN(C)CC1 ZINC000569795814 484140871 /nfs/dbraw/zinc/14/08/71/484140871.db2.gz REUWXQWSKUYVTN-BRWVUGGUSA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@H](CNC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)CN1CCN(C)CC1 ZINC000569795815 484141905 /nfs/dbraw/zinc/14/19/05/484141905.db2.gz REUWXQWSKUYVTN-IKGGRYGDSA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@H](CNC(=O)N1C[C@H](C)N(CCO)C[C@H]1C)CN1CCN(C)CC1 ZINC000569795816 484141474 /nfs/dbraw/zinc/14/14/74/484141474.db2.gz REUWXQWSKUYVTN-IXDOHACOSA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C)CN1CCN(C)CC1 ZINC000569795817 484141212 /nfs/dbraw/zinc/14/12/12/484141212.db2.gz REUWXQWSKUYVTN-ZACQAIPSSA-N 0 3 355.527 -0.034 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)[C@@H](CN)C1 ZINC000569801814 484141923 /nfs/dbraw/zinc/14/19/23/484141923.db2.gz CJVFDIYEPPECNA-KBPBESRZSA-N 0 3 367.494 -0.772 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)[C@@H](CN)C1 ZINC000569801815 484141052 /nfs/dbraw/zinc/14/10/52/484141052.db2.gz CJVFDIYEPPECNA-KGLIPLIRSA-N 0 3 367.494 -0.772 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)[C@H](CN)C1 ZINC000569801816 484141085 /nfs/dbraw/zinc/14/10/85/484141085.db2.gz CJVFDIYEPPECNA-UONOGXRCSA-N 0 3 367.494 -0.772 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)[C@H](CN)C1 ZINC000569801817 484141248 /nfs/dbraw/zinc/14/12/48/484141248.db2.gz CJVFDIYEPPECNA-ZIAGYGMSSA-N 0 3 367.494 -0.772 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CNCCO2)c1 ZINC000569811502 484143375 /nfs/dbraw/zinc/14/33/75/484143375.db2.gz BBNOCRFBHIYYPH-CYBMUJFWSA-N 0 3 355.416 -0.728 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CNCCO2)c1 ZINC000569811503 484143049 /nfs/dbraw/zinc/14/30/49/484143049.db2.gz BBNOCRFBHIYYPH-ZDUSSCGKSA-N 0 3 355.416 -0.728 20 0 FBADHN CC(C)[C@H](N)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000569811742 484142810 /nfs/dbraw/zinc/14/28/10/484142810.db2.gz ZDERKHFNHPTSFW-KRWDZBQOSA-N 0 3 353.511 -0.334 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000569822546 484143339 /nfs/dbraw/zinc/14/33/39/484143339.db2.gz ZGJPXXKAIPDAEK-CHWSQXEVSA-N 0 3 359.421 -0.068 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000569822549 484143951 /nfs/dbraw/zinc/14/39/51/484143951.db2.gz ZGJPXXKAIPDAEK-OLZOCXBDSA-N 0 3 359.421 -0.068 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000569822551 484143835 /nfs/dbraw/zinc/14/38/35/484143835.db2.gz ZGJPXXKAIPDAEK-QWHCGFSZSA-N 0 3 359.421 -0.068 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000569822552 484143453 /nfs/dbraw/zinc/14/34/53/484143453.db2.gz ZGJPXXKAIPDAEK-STQMWFEESA-N 0 3 359.421 -0.068 20 0 FBADHN COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000569823389 484143028 /nfs/dbraw/zinc/14/30/28/484143028.db2.gz YUYFESCWFUCOEP-KBPBESRZSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000569823395 484142941 /nfs/dbraw/zinc/14/29/41/484142941.db2.gz YUYFESCWFUCOEP-KGLIPLIRSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000569823397 484143896 /nfs/dbraw/zinc/14/38/96/484143896.db2.gz YUYFESCWFUCOEP-UONOGXRCSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000569823399 484142882 /nfs/dbraw/zinc/14/28/82/484142882.db2.gz YUYFESCWFUCOEP-ZIAGYGMSSA-N 0 3 364.446 -0.320 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)CCN2C1=O ZINC000569824358 484143870 /nfs/dbraw/zinc/14/38/70/484143870.db2.gz ADMUNJATTDYAEW-CHWSQXEVSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)CCN2C1=O ZINC000569824363 484142659 /nfs/dbraw/zinc/14/26/59/484142659.db2.gz ADMUNJATTDYAEW-OLZOCXBDSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)CCN2C1=O ZINC000569824365 484142617 /nfs/dbraw/zinc/14/26/17/484142617.db2.gz ADMUNJATTDYAEW-QWHCGFSZSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)CCN2C1=O ZINC000569824368 484142387 /nfs/dbraw/zinc/14/23/87/484142387.db2.gz ADMUNJATTDYAEW-STQMWFEESA-N 0 3 360.418 -0.306 20 0 FBADHN Cc1ccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000569826494 484145023 /nfs/dbraw/zinc/14/50/23/484145023.db2.gz YJSJLVFANNWPOO-GDBMZVCRSA-N 0 3 374.441 -0.349 20 0 FBADHN Cc1ccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000569826495 484144871 /nfs/dbraw/zinc/14/48/71/484144871.db2.gz YJSJLVFANNWPOO-GOEBONIOSA-N 0 3 374.441 -0.349 20 0 FBADHN Cc1ccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000569826496 484144792 /nfs/dbraw/zinc/14/47/92/484144792.db2.gz YJSJLVFANNWPOO-HOCLYGCPSA-N 0 3 374.441 -0.349 20 0 FBADHN Cc1ccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000569826497 484145429 /nfs/dbraw/zinc/14/54/29/484145429.db2.gz YJSJLVFANNWPOO-ZBFHGGJFSA-N 0 3 374.441 -0.349 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)NCCS(=O)(=O)NC(C)(C)C)C[C@H]2N)cn1 ZINC000569837108 484144665 /nfs/dbraw/zinc/14/46/65/484144665.db2.gz HWQTXCNNYNCHFD-QWHCGFSZSA-N 0 3 372.495 -0.426 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)[C@@H]2C1 ZINC000569838825 484145487 /nfs/dbraw/zinc/14/54/87/484145487.db2.gz RPXAMAZLDPHXDF-JJXSEGSLSA-N 0 3 351.447 -0.055 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC000569840809 484144742 /nfs/dbraw/zinc/14/47/42/484144742.db2.gz XJLQTFZACBHESD-AAEUAGOBSA-N 0 3 354.373 -0.385 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC000569840813 484144920 /nfs/dbraw/zinc/14/49/20/484144920.db2.gz XJLQTFZACBHESD-DGCLKSJQSA-N 0 3 354.373 -0.385 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC000569840814 484144476 /nfs/dbraw/zinc/14/44/76/484144476.db2.gz XJLQTFZACBHESD-WCQYABFASA-N 0 3 354.373 -0.385 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC000569840816 484144641 /nfs/dbraw/zinc/14/46/41/484144641.db2.gz XJLQTFZACBHESD-YPMHNXCESA-N 0 3 354.373 -0.385 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CN3CCN(c4ccccn4)CC3)C[C@H]2N)cn1 ZINC000569843527 484146242 /nfs/dbraw/zinc/14/62/42/484146242.db2.gz FINQMRHCZIDXLC-DLBZAZTESA-N 0 3 369.473 -0.110 20 0 FBADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)C1CCN(c2cnccn2)CC1 ZINC000569843599 484146579 /nfs/dbraw/zinc/14/65/79/484146579.db2.gz YHRYIKFNIOOIEP-UHFFFAOYSA-N 0 3 357.422 -0.141 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000569847886 484145218 /nfs/dbraw/zinc/14/52/18/484145218.db2.gz KPJRANOQCJGQEM-GOSISDBHSA-N 0 3 368.478 -0.284 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CC1 ZINC000569847890 484145012 /nfs/dbraw/zinc/14/50/12/484145012.db2.gz KPJRANOQCJGQEM-SFHVURJKSA-N 0 3 368.478 -0.284 20 0 FBADHN C[C@@H](NC(=O)CSCC(=O)N1CCCCC1)C(=O)NCCN(C)C ZINC000569865765 484146196 /nfs/dbraw/zinc/14/61/96/484146196.db2.gz QZVCTSGZCGGSED-CYBMUJFWSA-N 0 3 358.508 -0.085 20 0 FBADHN C[C@H](NC(=O)CSCC(=O)N1CCCCC1)C(=O)NCCN(C)C ZINC000569865766 484145937 /nfs/dbraw/zinc/14/59/37/484145937.db2.gz QZVCTSGZCGGSED-ZDUSSCGKSA-N 0 3 358.508 -0.085 20 0 FBADHN C[C@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O ZINC000569865941 484146207 /nfs/dbraw/zinc/14/62/07/484146207.db2.gz XIGXOCJHLFVRAV-NWDGAFQWSA-N 0 3 360.414 -0.146 20 0 FBADHN C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)NCCN(C)C ZINC000569865942 484146388 /nfs/dbraw/zinc/14/63/88/484146388.db2.gz XIGXOCJHLFVRAV-VXGBXAGGSA-N 0 3 360.414 -0.146 20 0 FBADHN Cc1c(Cl)cncc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569867047 484146597 /nfs/dbraw/zinc/14/65/97/484146597.db2.gz CDTJXIRSYKPWIW-GXSJLCMTSA-N 0 3 351.794 -0.248 20 0 FBADHN Cc1c(Cl)cncc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569867048 484146497 /nfs/dbraw/zinc/14/64/97/484146497.db2.gz CDTJXIRSYKPWIW-KOLCDFICSA-N 0 3 351.794 -0.248 20 0 FBADHN Cc1c(Cl)cncc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569867049 484146727 /nfs/dbraw/zinc/14/67/27/484146727.db2.gz CDTJXIRSYKPWIW-MWLCHTKSSA-N 0 3 351.794 -0.248 20 0 FBADHN Cc1c(Cl)cncc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569867050 484146543 /nfs/dbraw/zinc/14/65/43/484146543.db2.gz CDTJXIRSYKPWIW-ONGXEEELSA-N 0 3 351.794 -0.248 20 0 FBADHN CNC(=O)c1ccc(CS(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000569867280 484146273 /nfs/dbraw/zinc/14/62/73/484146273.db2.gz DMUIAOUPTMVABQ-KBPBESRZSA-N 0 3 366.443 -0.880 20 0 FBADHN CNC(=O)c1ccc(CS(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000569867281 484145901 /nfs/dbraw/zinc/14/59/01/484145901.db2.gz DMUIAOUPTMVABQ-KGLIPLIRSA-N 0 3 366.443 -0.880 20 0 FBADHN CNC(=O)c1ccc(CS(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000569867282 484146760 /nfs/dbraw/zinc/14/67/60/484146760.db2.gz DMUIAOUPTMVABQ-UONOGXRCSA-N 0 3 366.443 -0.880 20 0 FBADHN CNC(=O)c1ccc(CS(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000569867283 484146712 /nfs/dbraw/zinc/14/67/12/484146712.db2.gz DMUIAOUPTMVABQ-ZIAGYGMSSA-N 0 3 366.443 -0.880 20 0 FBADHN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569867737 484147786 /nfs/dbraw/zinc/14/77/86/484147786.db2.gz MYLRUBQAYOCCNI-CHWSQXEVSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569867738 484147407 /nfs/dbraw/zinc/14/74/07/484147407.db2.gz MYLRUBQAYOCCNI-OLZOCXBDSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569867739 484148542 /nfs/dbraw/zinc/14/85/42/484148542.db2.gz MYLRUBQAYOCCNI-QWHCGFSZSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569867740 484148487 /nfs/dbraw/zinc/14/84/87/484148487.db2.gz MYLRUBQAYOCCNI-STQMWFEESA-N 0 3 356.390 -0.254 20 0 FBADHN C[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)NCCN(C)C ZINC000569882450 484148096 /nfs/dbraw/zinc/14/80/96/484148096.db2.gz NOCNEENKZPIGTK-LLVKDONJSA-N 0 3 355.439 -0.721 20 0 FBADHN C[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)NCCN(C)C ZINC000569882451 484147855 /nfs/dbraw/zinc/14/78/55/484147855.db2.gz NOCNEENKZPIGTK-NSHDSACASA-N 0 3 355.439 -0.721 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000569894239 484147621 /nfs/dbraw/zinc/14/76/21/484147621.db2.gz QWOHCEPQIUFDBC-UHFFFAOYSA-N 0 3 371.507 -0.031 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000569902375 484148301 /nfs/dbraw/zinc/14/83/01/484148301.db2.gz IIZSNMCCFVRVGY-BFHYXJOUSA-N 0 3 359.496 -0.397 20 0 FBADHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000569903819 484147523 /nfs/dbraw/zinc/14/75/23/484147523.db2.gz HPHISCNVUSGZIP-CYBMUJFWSA-N 0 3 361.446 -0.020 20 0 FBADHN CC(C)N1CC[C@H](N(C)C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000569903821 484148536 /nfs/dbraw/zinc/14/85/36/484148536.db2.gz HPHISCNVUSGZIP-ZDUSSCGKSA-N 0 3 361.446 -0.020 20 0 FBADHN CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)C1 ZINC000569904394 484147382 /nfs/dbraw/zinc/14/73/82/484147382.db2.gz VGBNZACMPCYZNT-TZMCWYRMSA-N 0 3 362.496 -0.636 20 0 FBADHN C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000569906458 484149369 /nfs/dbraw/zinc/14/93/69/484149369.db2.gz FTIZQVQCXTVSLV-GOSISDBHSA-N 0 3 366.462 -0.874 20 0 FBADHN C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000569906459 484149093 /nfs/dbraw/zinc/14/90/93/484149093.db2.gz FTIZQVQCXTVSLV-SFHVURJKSA-N 0 3 366.462 -0.874 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000569909852 484147908 /nfs/dbraw/zinc/14/79/08/484147908.db2.gz YZPYDLBWXFHSBV-INIZCTEOSA-N 0 3 371.503 -0.068 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000569909853 484147771 /nfs/dbraw/zinc/14/77/71/484147771.db2.gz YZPYDLBWXFHSBV-MRXNPFEDSA-N 0 3 371.503 -0.068 20 0 FBADHN O[C@H](CNC[C@H](O)COc1ccc2c(c1)OCO2)CN1CCOCC1 ZINC000569928047 484149194 /nfs/dbraw/zinc/14/91/94/484149194.db2.gz WEHNNJNCNKXTCF-KGLIPLIRSA-N 0 3 354.403 -0.562 20 0 FBADHN O[C@H](CNC[C@@H](O)CN1CCOCC1)COc1ccc2c(c1)OCO2 ZINC000569928048 484149236 /nfs/dbraw/zinc/14/92/36/484149236.db2.gz WEHNNJNCNKXTCF-ZIAGYGMSSA-N 0 3 354.403 -0.562 20 0 FBADHN COCCN(C)C[C@H](O)Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000569940283 484150780 /nfs/dbraw/zinc/15/07/80/484150780.db2.gz CUWKWJKYAKQUTC-AWEZNQCLSA-N 0 3 358.402 -0.084 20 0 FBADHN COCCN(C)C[C@@H](O)Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000569940288 484150733 /nfs/dbraw/zinc/15/07/33/484150733.db2.gz CUWKWJKYAKQUTC-CQSZACIVSA-N 0 3 358.402 -0.084 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000569941265 484151735 /nfs/dbraw/zinc/15/17/35/484151735.db2.gz QTDCKXZTCWFMFY-HNNXBMFYSA-N 0 3 356.448 -0.549 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000569941266 484150886 /nfs/dbraw/zinc/15/08/86/484150886.db2.gz QTDCKXZTCWFMFY-OAHLLOKOSA-N 0 3 356.448 -0.549 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000569948430 484151449 /nfs/dbraw/zinc/15/14/49/484151449.db2.gz MNGHRXQHXAINCD-AWEZNQCLSA-N 0 3 350.467 -0.693 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000569948431 484151212 /nfs/dbraw/zinc/15/12/12/484151212.db2.gz MNGHRXQHXAINCD-CQSZACIVSA-N 0 3 350.467 -0.693 20 0 FBADHN CCN(CCN1CCCCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000569952328 484152205 /nfs/dbraw/zinc/15/22/05/484152205.db2.gz GTOIKMVRAOKWHW-UHFFFAOYSA-N 0 3 372.491 -0.029 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C(=O)N1CCOCC1 ZINC000569957211 484153016 /nfs/dbraw/zinc/15/30/16/484153016.db2.gz BRSNVZWXTKJXAJ-CABCVRRESA-N 0 3 366.462 -0.563 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C(=O)N1CCOCC1 ZINC000569957212 484153112 /nfs/dbraw/zinc/15/31/12/484153112.db2.gz BRSNVZWXTKJXAJ-GJZGRUSLSA-N 0 3 366.462 -0.563 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C(=O)N1CCOCC1 ZINC000569957213 484152334 /nfs/dbraw/zinc/15/23/34/484152334.db2.gz BRSNVZWXTKJXAJ-HUUCEWRRSA-N 0 3 366.462 -0.563 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C(=O)N1CCOCC1 ZINC000569957214 484153048 /nfs/dbraw/zinc/15/30/48/484153048.db2.gz BRSNVZWXTKJXAJ-LSDHHAIUSA-N 0 3 366.462 -0.563 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N(CCO)C2CCOCC2)CCCO1 ZINC000569958881 484152897 /nfs/dbraw/zinc/15/28/97/484152897.db2.gz QBZTVGHPRIQKLM-HNNXBMFYSA-N 0 3 371.478 -0.397 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N(CCO)C2CCOCC2)CCCO1 ZINC000569958890 484152382 /nfs/dbraw/zinc/15/23/82/484152382.db2.gz QBZTVGHPRIQKLM-OAHLLOKOSA-N 0 3 371.478 -0.397 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000569967446 484152467 /nfs/dbraw/zinc/15/24/67/484152467.db2.gz ZDJLLGXSAHWLRY-AWEZNQCLSA-N 0 3 356.467 -0.950 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000569967447 484152848 /nfs/dbraw/zinc/15/28/48/484152848.db2.gz ZDJLLGXSAHWLRY-CQSZACIVSA-N 0 3 356.467 -0.950 20 0 FBADHN CN1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)[C@H](CN)C1 ZINC000569971697 484152861 /nfs/dbraw/zinc/15/28/61/484152861.db2.gz DBGQSJVDIBZPBY-LLVKDONJSA-N 0 3 363.443 -0.403 20 0 FBADHN CN1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)[C@@H](CN)C1 ZINC000569971699 484152234 /nfs/dbraw/zinc/15/22/34/484152234.db2.gz DBGQSJVDIBZPBY-NSHDSACASA-N 0 3 363.443 -0.403 20 0 FBADHN CN1CCN(Cc2ccc(CNC(=O)C3(S(N)(=O)=O)CC3)cc2)CC1 ZINC000569976891 484153610 /nfs/dbraw/zinc/15/36/10/484153610.db2.gz BIKBMJSKLGEXHV-UHFFFAOYSA-N 0 3 366.487 -0.129 20 0 FBADHN COc1cnccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569989568 484155491 /nfs/dbraw/zinc/15/54/91/484155491.db2.gz HWRCYYLQHSFJTN-DMDPSCGWSA-N 0 3 361.402 -0.962 20 0 FBADHN COc1cnccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569989569 484155860 /nfs/dbraw/zinc/15/58/60/484155860.db2.gz HWRCYYLQHSFJTN-GMXVVIOVSA-N 0 3 361.402 -0.962 20 0 FBADHN COc1cnccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569989570 484155576 /nfs/dbraw/zinc/15/55/76/484155576.db2.gz HWRCYYLQHSFJTN-GVXVVHGQSA-N 0 3 361.402 -0.962 20 0 FBADHN COc1cnccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569989571 484155329 /nfs/dbraw/zinc/15/53/29/484155329.db2.gz HWRCYYLQHSFJTN-LOWVWBTDSA-N 0 3 361.402 -0.962 20 0 FBADHN Cc1ccccc1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569989713 484156006 /nfs/dbraw/zinc/15/60/06/484156006.db2.gz RFERPIHELMMQDD-CABCVRRESA-N 0 3 374.441 -0.349 20 0 FBADHN Cc1ccccc1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569989714 484155160 /nfs/dbraw/zinc/15/51/60/484155160.db2.gz RFERPIHELMMQDD-GJZGRUSLSA-N 0 3 374.441 -0.349 20 0 FBADHN Cc1ccccc1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569989715 484155628 /nfs/dbraw/zinc/15/56/28/484155628.db2.gz RFERPIHELMMQDD-HUUCEWRRSA-N 0 3 374.441 -0.349 20 0 FBADHN Cc1ccccc1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569989716 484155341 /nfs/dbraw/zinc/15/53/41/484155341.db2.gz RFERPIHELMMQDD-LSDHHAIUSA-N 0 3 374.441 -0.349 20 0 FBADHN Cc1ccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)[nH]c2c1 ZINC000569989755 484155671 /nfs/dbraw/zinc/15/56/71/484155671.db2.gz UVKJFWPTNHEHBV-NEPJUHHUSA-N 0 3 370.413 -0.742 20 0 FBADHN Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)nc2c1 ZINC000569989755 484155668 /nfs/dbraw/zinc/15/56/68/484155668.db2.gz UVKJFWPTNHEHBV-NEPJUHHUSA-N 0 3 370.413 -0.742 20 0 FBADHN Cc1ccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)[nH]c2c1 ZINC000569989756 484155125 /nfs/dbraw/zinc/15/51/25/484155125.db2.gz UVKJFWPTNHEHBV-NWDGAFQWSA-N 0 3 370.413 -0.742 20 0 FBADHN Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)nc2c1 ZINC000569989756 484155121 /nfs/dbraw/zinc/15/51/21/484155121.db2.gz UVKJFWPTNHEHBV-NWDGAFQWSA-N 0 3 370.413 -0.742 20 0 FBADHN Cc1ccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)[nH]c2c1 ZINC000569989757 484155749 /nfs/dbraw/zinc/15/57/49/484155749.db2.gz UVKJFWPTNHEHBV-RYUDHWBXSA-N 0 3 370.413 -0.742 20 0 FBADHN Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)nc2c1 ZINC000569989757 484155745 /nfs/dbraw/zinc/15/57/45/484155745.db2.gz UVKJFWPTNHEHBV-RYUDHWBXSA-N 0 3 370.413 -0.742 20 0 FBADHN Cc1ccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)[nH]c2c1 ZINC000569989758 484155821 /nfs/dbraw/zinc/15/58/21/484155821.db2.gz UVKJFWPTNHEHBV-VXGBXAGGSA-N 0 3 370.413 -0.742 20 0 FBADHN Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)nc2c1 ZINC000569989758 484155813 /nfs/dbraw/zinc/15/58/13/484155813.db2.gz UVKJFWPTNHEHBV-VXGBXAGGSA-N 0 3 370.413 -0.742 20 0 FBADHN CCCN(CCN1CCCC1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000569996170 484155517 /nfs/dbraw/zinc/15/55/17/484155517.db2.gz WGSMFCABGDPGBW-UHFFFAOYSA-N 0 3 360.524 -0.102 20 0 FBADHN COCC[C@]1(NCC(=O)NCCCN(C)S(C)(=O)=O)CCOC1 ZINC000570010023 484158890 /nfs/dbraw/zinc/15/88/90/484158890.db2.gz LNHNCMMDQBODMF-AWEZNQCLSA-N 0 3 351.469 -0.831 20 0 FBADHN COCC[C@@]1(NCC(=O)NCCCN(C)S(C)(=O)=O)CCOC1 ZINC000570010024 484158355 /nfs/dbraw/zinc/15/83/55/484158355.db2.gz LNHNCMMDQBODMF-CQSZACIVSA-N 0 3 351.469 -0.831 20 0 FBADHN COCCNCCNC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC ZINC000570045826 484159880 /nfs/dbraw/zinc/15/98/80/484159880.db2.gz ALERMUVZLPRATR-UHFFFAOYSA-N 0 3 361.420 -0.683 20 0 FBADHN CC(C)C(=O)N1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000570054787 484160226 /nfs/dbraw/zinc/16/02/26/484160226.db2.gz NOIMTKFNAHZMML-UHFFFAOYSA-N 0 3 369.510 -0.735 20 0 FBADHN CN(C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000570064329 484159590 /nfs/dbraw/zinc/15/95/90/484159590.db2.gz DQUQJOYLOYIFEX-AWEZNQCLSA-N 0 3 372.491 -0.535 20 0 FBADHN CN(C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000570064331 484160016 /nfs/dbraw/zinc/16/00/16/484160016.db2.gz DQUQJOYLOYIFEX-CQSZACIVSA-N 0 3 372.491 -0.535 20 0 FBADHN COCCOc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000570068855 484161543 /nfs/dbraw/zinc/16/15/43/484161543.db2.gz YXXZEZREWCCTPQ-HNNXBMFYSA-N 0 3 364.446 -0.571 20 0 FBADHN COCCOc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000570068858 484161131 /nfs/dbraw/zinc/16/11/31/484161131.db2.gz YXXZEZREWCCTPQ-OAHLLOKOSA-N 0 3 364.446 -0.571 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000570085369 484161942 /nfs/dbraw/zinc/16/19/42/484161942.db2.gz REKSNWUEFPOJGP-UONOGXRCSA-N 0 3 374.507 -0.673 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000570085370 484161049 /nfs/dbraw/zinc/16/10/49/484161049.db2.gz REKSNWUEFPOJGP-ZIAGYGMSSA-N 0 3 374.507 -0.673 20 0 FBADHN COCCNCCNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000570091850 484160772 /nfs/dbraw/zinc/16/07/72/484160772.db2.gz ZRYWVCGZTOBSDS-UHFFFAOYSA-N 0 3 363.462 -0.137 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)NCCN2CCCC2=O)C[C@H]1c1cccc(F)c1 ZINC000570102515 484162916 /nfs/dbraw/zinc/16/29/16/484162916.db2.gz UBFGIHRUBAGPSY-LSDHHAIUSA-N 0 3 362.405 -0.183 20 0 FBADHN CCOC(=O)CSc1cncc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000570105952 484162983 /nfs/dbraw/zinc/16/29/83/484162983.db2.gz FYXQPDXTLZAEDR-GHMZBOCLSA-N 0 3 351.432 -0.120 20 0 FBADHN CCOC(=O)CSc1cncc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000570105953 484163682 /nfs/dbraw/zinc/16/36/82/484163682.db2.gz FYXQPDXTLZAEDR-MNOVXSKESA-N 0 3 351.432 -0.120 20 0 FBADHN CCOC(=O)CSc1cncc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000570105954 484162699 /nfs/dbraw/zinc/16/26/99/484162699.db2.gz FYXQPDXTLZAEDR-QWRGUYRKSA-N 0 3 351.432 -0.120 20 0 FBADHN CCOC(=O)CSc1cncc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000570105955 484163564 /nfs/dbraw/zinc/16/35/64/484163564.db2.gz FYXQPDXTLZAEDR-WDEREUQCSA-N 0 3 351.432 -0.120 20 0 FBADHN C[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)C(=O)NCCN(C)C ZINC000570107315 484163758 /nfs/dbraw/zinc/16/37/58/484163758.db2.gz QNGHMEOJYUGAOK-CYBMUJFWSA-N 0 3 359.430 -0.031 20 0 FBADHN C[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)C(=O)NCCN(C)C ZINC000570107316 484163265 /nfs/dbraw/zinc/16/32/65/484163265.db2.gz QNGHMEOJYUGAOK-ZDUSSCGKSA-N 0 3 359.430 -0.031 20 0 FBADHN CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000570107566 484162447 /nfs/dbraw/zinc/16/24/47/484162447.db2.gz NHRQXKMTPMDDIY-JKJDWNRSSA-N 0 3 352.479 -0.109 20 0 FBADHN CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000570107568 484163323 /nfs/dbraw/zinc/16/33/23/484163323.db2.gz NHRQXKMTPMDDIY-LJIZCISZSA-N 0 3 352.479 -0.109 20 0 FBADHN CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000570107571 484163705 /nfs/dbraw/zinc/16/37/05/484163705.db2.gz NHRQXKMTPMDDIY-NPJQDHAYSA-N 0 3 352.479 -0.109 20 0 FBADHN CC(C)[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000570107573 484163716 /nfs/dbraw/zinc/16/37/16/484163716.db2.gz NHRQXKMTPMDDIY-QCODTGAPSA-N 0 3 352.479 -0.109 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(N4CCNC4=O)ccc3F)CCN2C1=O ZINC000570108425 484164461 /nfs/dbraw/zinc/16/44/61/484164461.db2.gz WKRYGWMYYJUXQN-BXUZGUMPSA-N 0 3 361.377 -0.261 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3cc(N4CCNC4=O)ccc3F)CCN2C1=O ZINC000570108426 484165086 /nfs/dbraw/zinc/16/50/86/484165086.db2.gz WKRYGWMYYJUXQN-FZMZJTMJSA-N 0 3 361.377 -0.261 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(N4CCNC4=O)ccc3F)CCN2C1=O ZINC000570108427 484165282 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FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)CCN2C1=O ZINC000570178051 484168913 /nfs/dbraw/zinc/16/89/13/484168913.db2.gz TWJCSFSOGVUURV-GHMZBOCLSA-N 0 3 369.385 -0.819 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)CCN2C1=O ZINC000570178052 484168702 /nfs/dbraw/zinc/16/87/02/484168702.db2.gz TWJCSFSOGVUURV-MNOVXSKESA-N 0 3 369.385 -0.819 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)CCN2C1=O ZINC000570178053 484169787 /nfs/dbraw/zinc/16/97/87/484169787.db2.gz TWJCSFSOGVUURV-QWRGUYRKSA-N 0 3 369.385 -0.819 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)CCN2C1=O ZINC000570178054 484169576 /nfs/dbraw/zinc/16/95/76/484169576.db2.gz TWJCSFSOGVUURV-WDEREUQCSA-N 0 3 369.385 -0.819 20 0 FBADHN C[C@H](O)[C@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000570184089 484169750 /nfs/dbraw/zinc/16/97/50/484169750.db2.gz PUSDKHDIYPMGPX-KKUMJFAQSA-N 0 3 368.478 -0.725 20 0 FBADHN C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000570184090 484169117 /nfs/dbraw/zinc/16/91/17/484169117.db2.gz PUSDKHDIYPMGPX-RRFJBIMHSA-N 0 3 368.478 -0.725 20 0 FBADHN C[C@H](O)[C@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000570184091 484169319 /nfs/dbraw/zinc/16/93/19/484169319.db2.gz PUSDKHDIYPMGPX-SOUVJXGZSA-N 0 3 368.478 -0.725 20 0 FBADHN C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000570184092 484169615 /nfs/dbraw/zinc/16/96/15/484169615.db2.gz PUSDKHDIYPMGPX-ZNMIVQPWSA-N 0 3 368.478 -0.725 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1O ZINC000570185571 484169842 /nfs/dbraw/zinc/16/98/42/484169842.db2.gz ZLACVTLZJLJMJG-GJZGRUSLSA-N 0 3 353.444 -0.126 20 0 FBADHN CN(CCNC(=O)N1CCOC2(CNC2)C1)S(=O)(=O)c1cccs1 ZINC000570187736 484169696 /nfs/dbraw/zinc/16/96/96/484169696.db2.gz NCPWDNYBSXJQSO-UHFFFAOYSA-N 0 3 374.488 -0.248 20 0 FBADHN CCN1CCN(C(=O)C(=O)NC2CCN(CCOC(C)C)CC2)CC1=O ZINC000570195499 484169861 /nfs/dbraw/zinc/16/98/61/484169861.db2.gz QFURRJSTBDPPME-UHFFFAOYSA-N 0 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ODCNSRNYOIRLHH-DZGCQCFKSA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244379 484173941 /nfs/dbraw/zinc/17/39/41/484173941.db2.gz ODCNSRNYOIRLHH-HIFRSBDPSA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244380 484174446 /nfs/dbraw/zinc/17/44/46/484174446.db2.gz ODCNSRNYOIRLHH-UKRRQHHQSA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244381 484174244 /nfs/dbraw/zinc/17/42/44/484174244.db2.gz ODCNSRNYOIRLHH-ZFWWWQNUSA-N 0 3 352.479 -0.188 20 0 FBADHN CN1CCN(CC2CCN(C(=O)C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000570263838 484176485 /nfs/dbraw/zinc/17/64/85/484176485.db2.gz MZJCOBSQTGEING-INIZCTEOSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCN(CC2CCN(C(=O)C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000570263843 484177052 /nfs/dbraw/zinc/17/70/52/484177052.db2.gz MZJCOBSQTGEING-MRXNPFEDSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000570274174 484176993 /nfs/dbraw/zinc/17/69/93/484176993.db2.gz GEEFXLCTCMDTBY-MBNYWOFBSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000570274175 484177260 /nfs/dbraw/zinc/17/72/60/484177260.db2.gz GEEFXLCTCMDTBY-SGMGOOAPSA-N 0 3 355.464 -0.361 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@@H]1O ZINC000570290896 484179897 /nfs/dbraw/zinc/17/98/97/484179897.db2.gz COTKFCHCYRKWNT-KBPBESRZSA-N 0 3 356.373 -0.374 20 0 FBADHN CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)[C@H](CN)C1 ZINC000570306014 484181270 /nfs/dbraw/zinc/18/12/70/484181270.db2.gz CAQXONXGTZLZNX-CYBMUJFWSA-N 0 3 355.464 -0.751 20 0 FBADHN CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)[C@@H](CN)C1 ZINC000570306015 484180883 /nfs/dbraw/zinc/18/08/83/484180883.db2.gz CAQXONXGTZLZNX-ZDUSSCGKSA-N 0 3 355.464 -0.751 20 0 FBADHN COc1ccc(F)cc1CN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000570308229 484181431 /nfs/dbraw/zinc/18/14/31/484181431.db2.gz INLDZVYTAVYHLO-UHFFFAOYSA-N 0 3 350.394 -0.434 20 0 FBADHN O=C(CN1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1)N1CCOCC1 ZINC000570334778 484183021 /nfs/dbraw/zinc/18/30/21/484183021.db2.gz MZWAZGOXSMWILY-GOSISDBHSA-N 0 3 372.469 -0.124 20 0 FBADHN O=C(CN1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1)N1CCOCC1 ZINC000570334781 484183411 /nfs/dbraw/zinc/18/34/11/484183411.db2.gz MZWAZGOXSMWILY-SFHVURJKSA-N 0 3 372.469 -0.124 20 0 FBADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000570342420 484183186 /nfs/dbraw/zinc/18/31/86/484183186.db2.gz IPBHTEHKUVUVAZ-INIZCTEOSA-N 0 3 370.475 -0.112 20 0 FBADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000570342421 484182693 /nfs/dbraw/zinc/18/26/93/484182693.db2.gz IPBHTEHKUVUVAZ-MRXNPFEDSA-N 0 3 370.475 -0.112 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCc3cccs3)CCN2C1=O ZINC000570345786 484184501 /nfs/dbraw/zinc/18/45/01/484184501.db2.gz VUKFPKPIBOZHEM-AAEUAGOBSA-N 0 3 350.444 -0.433 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCc3cccs3)CCN2C1=O ZINC000570345787 484184521 /nfs/dbraw/zinc/18/45/21/484184521.db2.gz VUKFPKPIBOZHEM-DGCLKSJQSA-N 0 3 350.444 -0.433 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCc3cccs3)CCN2C1=O ZINC000570345788 484184546 /nfs/dbraw/zinc/18/45/46/484184546.db2.gz VUKFPKPIBOZHEM-WCQYABFASA-N 0 3 350.444 -0.433 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCc3cccs3)CCN2C1=O ZINC000570345789 484184450 /nfs/dbraw/zinc/18/44/50/484184450.db2.gz VUKFPKPIBOZHEM-YPMHNXCESA-N 0 3 350.444 -0.433 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C12CCC2 ZINC000570345790 484184616 /nfs/dbraw/zinc/18/46/16/484184616.db2.gz VUZPHSYTHIEXRV-RFQIPJPRSA-N 0 3 364.446 -0.779 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C12CCC2 ZINC000570345791 484184183 /nfs/dbraw/zinc/18/41/83/484184183.db2.gz VUZPHSYTHIEXRV-XDQVBPFNSA-N 0 3 364.446 -0.779 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C12CCC2 ZINC000570345792 484184785 /nfs/dbraw/zinc/18/47/85/484184785.db2.gz VUZPHSYTHIEXRV-YIYPIFLZSA-N 0 3 364.446 -0.779 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C12CCC2 ZINC000570345793 484184704 /nfs/dbraw/zinc/18/47/04/484184704.db2.gz VUZPHSYTHIEXRV-ZOBORPQBSA-N 0 3 364.446 -0.779 20 0 FBADHN COC(=O)c1ccc(CNc2nc(NCCO)nc(NC(C)C)n2)cc1 ZINC000570352080 484184739 /nfs/dbraw/zinc/18/47/39/484184739.db2.gz OKJLIKATLBTYQE-UHFFFAOYSA-N 0 3 360.418 -0.240 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@@H]1N1CCOCC1 ZINC000570364231 484185805 /nfs/dbraw/zinc/18/58/05/484185805.db2.gz RRBBSJANPPTNOW-ANQUJSFKSA-N 0 3 364.490 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H]1N1CCOCC1 ZINC000570364232 484185983 /nfs/dbraw/zinc/18/59/83/484185983.db2.gz RRBBSJANPPTNOW-DLTWYDFYSA-N 0 3 364.490 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@H]1N1CCOCC1 ZINC000570364233 484185546 /nfs/dbraw/zinc/18/55/46/484185546.db2.gz RRBBSJANPPTNOW-JYYAWHABSA-N 0 3 364.490 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@H]1N1CCOCC1 ZINC000570364234 484185480 /nfs/dbraw/zinc/18/54/80/484185480.db2.gz RRBBSJANPPTNOW-KCYZZUKISA-N 0 3 364.490 -0.093 20 0 FBADHN CN1CCN(C(=O)NCCCN2C(=O)c3ccccc3C2=O)[C@H](CN)C1 ZINC000570382896 484188001 /nfs/dbraw/zinc/18/80/01/484188001.db2.gz ROCJNIJTMBFMNR-CYBMUJFWSA-N 0 3 359.430 -0.043 20 0 FBADHN CN1CCN(C(=O)NCCCN2C(=O)c3ccccc3C2=O)[C@@H](CN)C1 ZINC000570382897 484187408 /nfs/dbraw/zinc/18/74/08/484187408.db2.gz ROCJNIJTMBFMNR-ZDUSSCGKSA-N 0 3 359.430 -0.043 20 0 FBADHN Cc1c([C@H]2OCC[C@@H]2NCCNS(=O)(=O)c2cnn(C)c2)cnn1C ZINC000570385647 484187153 /nfs/dbraw/zinc/18/71/53/484187153.db2.gz ACLZZSYTXHVIAO-LSDHHAIUSA-N 0 3 368.463 -0.140 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000570396827 484189356 /nfs/dbraw/zinc/18/93/56/484189356.db2.gz UCSAKWYICXPBCJ-HNNXBMFYSA-N 0 3 361.446 -0.199 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000570396828 484189172 /nfs/dbraw/zinc/18/91/72/484189172.db2.gz UCSAKWYICXPBCJ-OAHLLOKOSA-N 0 3 361.446 -0.199 20 0 FBADHN Cc1nccn1CC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2C)CCN1C ZINC000570403080 484190958 /nfs/dbraw/zinc/19/09/58/484190958.db2.gz IADMBSOHELPRNI-INIZCTEOSA-N 0 3 373.461 -0.345 20 0 FBADHN Cc1nccn1CC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2C)CCN1C ZINC000570403081 484190448 /nfs/dbraw/zinc/19/04/48/484190448.db2.gz IADMBSOHELPRNI-MRXNPFEDSA-N 0 3 373.461 -0.345 20 0 FBADHN Cn1c2nnc(CN3CCN4C(=O)[C@@H](N)C[C@H]4C3)n2c2ccccc2c1=O ZINC000570411544 484189774 /nfs/dbraw/zinc/18/97/74/484189774.db2.gz OCBDKBOMLSOOIY-AAEUAGOBSA-N 0 3 367.413 -0.675 20 0 FBADHN Cn1c2nnc(CN3CCN4C(=O)[C@H](N)C[C@@H]4C3)n2c2ccccc2c1=O ZINC000570411545 484189938 /nfs/dbraw/zinc/18/99/38/484189938.db2.gz OCBDKBOMLSOOIY-DGCLKSJQSA-N 0 3 367.413 -0.675 20 0 FBADHN Cn1c2nnc(CN3CCN4C(=O)[C@H](N)C[C@H]4C3)n2c2ccccc2c1=O ZINC000570411546 484190576 /nfs/dbraw/zinc/19/05/76/484190576.db2.gz OCBDKBOMLSOOIY-WCQYABFASA-N 0 3 367.413 -0.675 20 0 FBADHN Cn1c2nnc(CN3CCN4C(=O)[C@@H](N)C[C@@H]4C3)n2c2ccccc2c1=O ZINC000570411547 484190604 /nfs/dbraw/zinc/19/06/04/484190604.db2.gz OCBDKBOMLSOOIY-YPMHNXCESA-N 0 3 367.413 -0.675 20 0 FBADHN O=C(NCc1cccc(C(=O)NCc2ccco2)c1)C(=O)NC1CNC1 ZINC000570428996 484192319 /nfs/dbraw/zinc/19/23/19/484192319.db2.gz XJBBIYKUNOTOJO-UHFFFAOYSA-N 0 3 356.382 -0.086 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCn3ncnc3C2)cc1 ZINC000570429497 484192073 /nfs/dbraw/zinc/19/20/73/484192073.db2.gz KPVGHJSKYNFKQX-UHFFFAOYSA-N 0 3 372.429 -0.123 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC[C@H](O)Cn2cccn2)c1 ZINC000570444982 484194310 /nfs/dbraw/zinc/19/43/10/484194310.db2.gz REQLCSJNFFNTBZ-HNNXBMFYSA-N 0 3 368.459 -0.042 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC[C@@H](O)Cn2cccn2)c1 ZINC000570444983 484194473 /nfs/dbraw/zinc/19/44/73/484194473.db2.gz REQLCSJNFFNTBZ-OAHLLOKOSA-N 0 3 368.459 -0.042 20 0 FBADHN O=C(CNC(=O)COc1ccccc1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000570448994 484194740 /nfs/dbraw/zinc/19/47/40/484194740.db2.gz IYGSMRYKJNXEGC-UHFFFAOYSA-N 0 3 359.390 -0.652 20 0 FBADHN COc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1-n1cnnn1 ZINC000570449099 484194913 /nfs/dbraw/zinc/19/49/13/484194913.db2.gz LHGCOGNKBSCVPT-UHFFFAOYSA-N 0 3 370.377 -0.549 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000570457569 484196563 /nfs/dbraw/zinc/19/65/63/484196563.db2.gz MTTYTAHMXIAINX-KBPBESRZSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000570457570 484195859 /nfs/dbraw/zinc/19/58/59/484195859.db2.gz MTTYTAHMXIAINX-KGLIPLIRSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000570457571 484195826 /nfs/dbraw/zinc/19/58/26/484195826.db2.gz MTTYTAHMXIAINX-UONOGXRCSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000570457572 484196303 /nfs/dbraw/zinc/19/63/03/484196303.db2.gz MTTYTAHMXIAINX-ZIAGYGMSSA-N 0 3 353.467 -0.247 20 0 FBADHN CN(C)S(=O)(=O)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000570460040 484196208 /nfs/dbraw/zinc/19/62/08/484196208.db2.gz GRBKFTXEORMERM-INIZCTEOSA-N 0 3 355.460 -0.369 20 0 FBADHN CN(C)S(=O)(=O)CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000570460041 484195879 /nfs/dbraw/zinc/19/58/79/484195879.db2.gz GRBKFTXEORMERM-MRXNPFEDSA-N 0 3 355.460 -0.369 20 0 FBADHN O=C(CCNS(=O)(=O)c1cccnc1)NC[C@]1(O)CN2CCC1CC2 ZINC000570460087 484195698 /nfs/dbraw/zinc/19/56/98/484195698.db2.gz MWLSZVHYHYGZHG-INIZCTEOSA-N 0 3 368.459 -0.677 20 0 FBADHN O=C(CCNS(=O)(=O)c1cccnc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000570460088 484195788 /nfs/dbraw/zinc/19/57/88/484195788.db2.gz MWLSZVHYHYGZHG-MRXNPFEDSA-N 0 3 368.459 -0.677 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1O ZINC000570460876 484197313 /nfs/dbraw/zinc/19/73/13/484197313.db2.gz HUXLHMPJECSTMJ-GJZGRUSLSA-N 0 3 370.475 -0.518 20 0 FBADHN CCN(CCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)C1CC1 ZINC000570462050 484196258 /nfs/dbraw/zinc/19/62/58/484196258.db2.gz YXRHGJJXVHTHGG-UHFFFAOYSA-N 0 3 357.414 -0.089 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000570464032 484195647 /nfs/dbraw/zinc/19/56/47/484195647.db2.gz HQBJAPAIOBXANW-GXTWGEPZSA-N 0 3 366.443 -0.586 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000570464033 484195971 /nfs/dbraw/zinc/19/59/71/484195971.db2.gz HQBJAPAIOBXANW-JSGCOSHPSA-N 0 3 366.443 -0.586 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000570464034 484195779 /nfs/dbraw/zinc/19/57/79/484195779.db2.gz HQBJAPAIOBXANW-OCCSQVGLSA-N 0 3 366.443 -0.586 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000570464035 484195750 /nfs/dbraw/zinc/19/57/50/484195750.db2.gz HQBJAPAIOBXANW-TZMCWYRMSA-N 0 3 366.443 -0.586 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000570464036 484195689 /nfs/dbraw/zinc/19/56/89/484195689.db2.gz HTDCAQHOVLXMIO-CVEARBPZSA-N 0 3 373.457 -0.601 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000570464037 484196052 /nfs/dbraw/zinc/19/60/52/484196052.db2.gz HTDCAQHOVLXMIO-HOTGVXAUSA-N 0 3 373.457 -0.601 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000570464038 484196385 /nfs/dbraw/zinc/19/63/85/484196385.db2.gz HTDCAQHOVLXMIO-HZPDHXFCSA-N 0 3 373.457 -0.601 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000570464039 484195681 /nfs/dbraw/zinc/19/56/81/484195681.db2.gz HTDCAQHOVLXMIO-JKSUJKDBSA-N 0 3 373.457 -0.601 20 0 FBADHN Cc1cc2cc(NC(=O)C(=O)NC[C@@]3(O)CCN(C)C3)ccc2n(C)c1=O ZINC000570467816 484197972 /nfs/dbraw/zinc/19/79/72/484197972.db2.gz ICCVLOXCSSMKCQ-IBGZPJMESA-N 0 3 372.425 -0.032 20 0 FBADHN Cc1cc2cc(NC(=O)C(=O)NC[C@]3(O)CCN(C)C3)ccc2n(C)c1=O ZINC000570467817 484198063 /nfs/dbraw/zinc/19/80/63/484198063.db2.gz ICCVLOXCSSMKCQ-LJQANCHMSA-N 0 3 372.425 -0.032 20 0 FBADHN CCN1CCN(CCNS(=O)(=O)c2cncc(C(=O)OC)c2)CC1 ZINC000570506399 484198829 /nfs/dbraw/zinc/19/88/29/484198829.db2.gz TUKAJHLYPMQIHK-UHFFFAOYSA-N 0 3 356.448 -0.216 20 0 FBADHN [NH3+]CCCn1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)nn1 ZINC000570511002 484200893 /nfs/dbraw/zinc/20/08/93/484200893.db2.gz GGHZWFDOWQIINQ-UHFFFAOYSA-N 0 3 358.402 -0.069 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000570526696 484202315 /nfs/dbraw/zinc/20/23/15/484202315.db2.gz MXHPFYVAXHIBMT-UONOGXRCSA-N 0 3 374.507 -0.484 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2c(I)cnn2C)C[C@@H]1O ZINC000570527392 484203099 /nfs/dbraw/zinc/20/30/99/484203099.db2.gz TYPHJCHYXSCGSB-IUCAKERBSA-N 0 3 364.187 -0.228 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1S(C)(=O)=O ZINC000570529863 484203463 /nfs/dbraw/zinc/20/34/63/484203463.db2.gz YWLQZILARUJMOM-CHWSQXEVSA-N 0 3 351.428 -0.217 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1S(C)(=O)=O ZINC000570529864 484203428 /nfs/dbraw/zinc/20/34/28/484203428.db2.gz YWLQZILARUJMOM-OLZOCXBDSA-N 0 3 351.428 -0.217 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1S(C)(=O)=O ZINC000570529865 484202822 /nfs/dbraw/zinc/20/28/22/484202822.db2.gz YWLQZILARUJMOM-QWHCGFSZSA-N 0 3 351.428 -0.217 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1S(C)(=O)=O ZINC000570529866 484203529 /nfs/dbraw/zinc/20/35/29/484203529.db2.gz YWLQZILARUJMOM-STQMWFEESA-N 0 3 351.428 -0.217 20 0 FBADHN NC(=O)CN1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000570537884 484204924 /nfs/dbraw/zinc/20/49/24/484204924.db2.gz YILMKOHSRRMPBA-KRWDZBQOSA-N 0 3 360.458 -0.093 20 0 FBADHN NC(=O)CN1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000570537885 484204798 /nfs/dbraw/zinc/20/47/98/484204798.db2.gz YILMKOHSRRMPBA-QGZVFWFLSA-N 0 3 360.458 -0.093 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000570541592 484202984 /nfs/dbraw/zinc/20/29/84/484202984.db2.gz BGNSKFQMMOXGTG-UHFFFAOYSA-N 0 3 370.494 -0.070 20 0 FBADHN COc1ncccc1CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000570558539 484463320 /nfs/dbraw/zinc/46/33/20/484463320.db2.gz RUUWBFLQEORQAJ-UHFFFAOYSA-N 0 3 360.418 0.146 20 0 FBADHN COCCNS(=O)(=O)c1ccc(CNCCC(=O)NC(N)=O)cc1 ZINC000570564385 484208129 /nfs/dbraw/zinc/20/81/29/484208129.db2.gz OGEGYLOJHVHKBI-UHFFFAOYSA-N 0 3 358.420 -0.714 20 0 FBADHN COc1ccnc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000570565843 484205412 /nfs/dbraw/zinc/20/54/12/484205412.db2.gz BHMMDAKTEHLZBT-UHFFFAOYSA-N 0 3 362.434 -0.065 20 0 FBADHN Cc1cccc2c(=O)n(CC(=O)Nc3nc(N4CCNCC4)n[nH]3)cnc12 ZINC000570568783 484209529 /nfs/dbraw/zinc/20/95/29/484209529.db2.gz KUEVODNSSDCUET-UHFFFAOYSA-N 0 3 368.401 -0.129 20 0 FBADHN NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000570569966 484210938 /nfs/dbraw/zinc/21/09/38/484210938.db2.gz MMBDGGDVSVFTCZ-LLVKDONJSA-N 0 3 361.370 -0.327 20 0 FBADHN NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000570569972 484210531 /nfs/dbraw/zinc/21/05/31/484210531.db2.gz MMBDGGDVSVFTCZ-NSHDSACASA-N 0 3 361.370 -0.327 20 0 FBADHN CCN1C(=O)CC[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H]1c1cnn(C)c1 ZINC000570582480 484210965 /nfs/dbraw/zinc/21/09/65/484210965.db2.gz XFPACHQXCPPCNE-AESZEHBQSA-N 0 3 363.462 -0.147 20 0 FBADHN CCN1C(=O)CC[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H]1c1cnn(C)c1 ZINC000570582481 484210107 /nfs/dbraw/zinc/21/01/07/484210107.db2.gz XFPACHQXCPPCNE-JKQORVJESA-N 0 3 363.462 -0.147 20 0 FBADHN CCN1C(=O)CC[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H]1c1cnn(C)c1 ZINC000570582482 484210058 /nfs/dbraw/zinc/21/00/58/484210058.db2.gz XFPACHQXCPPCNE-QBYUYEEZSA-N 0 3 363.462 -0.147 20 0 FBADHN CCN1C(=O)CC[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H]1c1cnn(C)c1 ZINC000570582483 484209986 /nfs/dbraw/zinc/20/99/86/484209986.db2.gz XFPACHQXCPPCNE-WBTNSWJXSA-N 0 3 363.462 -0.147 20 0 FBADHN CN1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2)CC1 ZINC000570582974 484210368 /nfs/dbraw/zinc/21/03/68/484210368.db2.gz PSHSIGXPXLMECP-MSOLQXFVSA-N 0 3 371.485 -0.182 20 0 FBADHN CN1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)CC1 ZINC000570582975 484210855 /nfs/dbraw/zinc/21/08/55/484210855.db2.gz PSHSIGXPXLMECP-QZTJIDSGSA-N 0 3 371.485 -0.182 20 0 FBADHN CN1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2)CC1 ZINC000570582976 484210003 /nfs/dbraw/zinc/21/00/03/484210003.db2.gz PSHSIGXPXLMECP-ROUUACIJSA-N 0 3 371.485 -0.182 20 0 FBADHN CN1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)CC1 ZINC000570582977 484210904 /nfs/dbraw/zinc/21/09/04/484210904.db2.gz PSHSIGXPXLMECP-ZWKOTPCHSA-N 0 3 371.485 -0.182 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000570595902 484213627 /nfs/dbraw/zinc/21/36/27/484213627.db2.gz XUAIFGLHOKHVKV-CYBMUJFWSA-N 0 3 362.496 -0.625 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000570595903 484213847 /nfs/dbraw/zinc/21/38/47/484213847.db2.gz XUAIFGLHOKHVKV-ZDUSSCGKSA-N 0 3 362.496 -0.625 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000570597018 484212771 /nfs/dbraw/zinc/21/27/71/484212771.db2.gz NJYHAHIZWPTAER-BZUAXINKSA-N 0 3 371.478 -0.086 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000570597019 484212048 /nfs/dbraw/zinc/21/20/48/484212048.db2.gz NJYHAHIZWPTAER-OAGGEKHMSA-N 0 3 371.478 -0.086 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000570597020 484212217 /nfs/dbraw/zinc/21/22/17/484212217.db2.gz NJYHAHIZWPTAER-OWCLPIDISA-N 0 3 371.478 -0.086 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000570597021 484212060 /nfs/dbraw/zinc/21/20/60/484212060.db2.gz NJYHAHIZWPTAER-PMPSAXMXSA-N 0 3 371.478 -0.086 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2ncccc2N(C)C)n1 ZINC000570611753 484101547 /nfs/dbraw/zinc/10/15/47/484101547.db2.gz YUDMDHJRUHZINS-UHFFFAOYSA-N 0 3 359.434 0.161 20 0 FBADHN O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000570618707 484215272 /nfs/dbraw/zinc/21/52/72/484215272.db2.gz JZTMZKIZIZCEAK-CHWSQXEVSA-N 0 3 359.421 -0.163 20 0 FBADHN O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000570618708 484215480 /nfs/dbraw/zinc/21/54/80/484215480.db2.gz JZTMZKIZIZCEAK-OLZOCXBDSA-N 0 3 359.421 -0.163 20 0 FBADHN O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000570618709 484215166 /nfs/dbraw/zinc/21/51/66/484215166.db2.gz JZTMZKIZIZCEAK-QWHCGFSZSA-N 0 3 359.421 -0.163 20 0 FBADHN O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000570618710 484215672 /nfs/dbraw/zinc/21/56/72/484215672.db2.gz JZTMZKIZIZCEAK-STQMWFEESA-N 0 3 359.421 -0.163 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C3CCCCC3)CC2)[C@@H](CN)C1 ZINC000570624580 484216501 /nfs/dbraw/zinc/21/65/01/484216501.db2.gz HRZLKAQKXXOITI-INIZCTEOSA-N 0 3 351.495 -0.435 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(C3CCCCC3)CC2)[C@H](CN)C1 ZINC000570624581 484216412 /nfs/dbraw/zinc/21/64/12/484216412.db2.gz HRZLKAQKXXOITI-MRXNPFEDSA-N 0 3 351.495 -0.435 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC[C@H](O)CN2CCN(C)CC2)c1 ZINC000570626383 484217296 /nfs/dbraw/zinc/21/72/96/484217296.db2.gz LATCGFYYHOYFRD-INIZCTEOSA-N 0 3 370.519 -0.317 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000570626384 484217404 /nfs/dbraw/zinc/21/74/04/484217404.db2.gz LATCGFYYHOYFRD-MRXNPFEDSA-N 0 3 370.519 -0.317 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000570632405 484216558 /nfs/dbraw/zinc/21/65/58/484216558.db2.gz MZEYVRWFNYBTJZ-DOTOQJQBSA-N 0 3 360.458 -0.092 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000570632406 484218270 /nfs/dbraw/zinc/21/82/70/484218270.db2.gz MZEYVRWFNYBTJZ-NVXWUHKLSA-N 0 3 360.458 -0.092 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000570632407 484218228 /nfs/dbraw/zinc/21/82/28/484218228.db2.gz MZEYVRWFNYBTJZ-RDJZCZTQSA-N 0 3 360.458 -0.092 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000570632408 484218551 /nfs/dbraw/zinc/21/85/51/484218551.db2.gz MZEYVRWFNYBTJZ-WBVHZDCISA-N 0 3 360.458 -0.092 20 0 FBADHN CS(=O)(=O)CCCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000570632527 484217954 /nfs/dbraw/zinc/21/79/54/484217954.db2.gz RCZRVJVUZRMRFQ-AWEZNQCLSA-N 0 3 353.444 -0.378 20 0 FBADHN CS(=O)(=O)CCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000570632528 484218927 /nfs/dbraw/zinc/21/89/27/484218927.db2.gz RCZRVJVUZRMRFQ-CQSZACIVSA-N 0 3 353.444 -0.378 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)ccc1OC ZINC000570635522 484218364 /nfs/dbraw/zinc/21/83/64/484218364.db2.gz KUMCGMMGJOMKER-LLVKDONJSA-N 0 3 357.432 -0.255 20 0 FBADHN COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)ccc1OC ZINC000570635523 484218241 /nfs/dbraw/zinc/21/82/41/484218241.db2.gz KUMCGMMGJOMKER-NSHDSACASA-N 0 3 357.432 -0.255 20 0 FBADHN C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000570642416 484219935 /nfs/dbraw/zinc/21/99/35/484219935.db2.gz PFGZQHPBRFJABK-BDAKNGLRSA-N 0 3 353.404 -0.466 20 0 FBADHN C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000570642417 484219545 /nfs/dbraw/zinc/21/95/45/484219545.db2.gz PFGZQHPBRFJABK-DTWKUNHWSA-N 0 3 353.404 -0.466 20 0 FBADHN C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000570642418 484220419 /nfs/dbraw/zinc/22/04/19/484220419.db2.gz PFGZQHPBRFJABK-IUCAKERBSA-N 0 3 353.404 -0.466 20 0 FBADHN C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000570642419 484219678 /nfs/dbraw/zinc/21/96/78/484219678.db2.gz PFGZQHPBRFJABK-RKDXNWHRSA-N 0 3 353.404 -0.466 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000570646407 484219443 /nfs/dbraw/zinc/21/94/43/484219443.db2.gz VSOVZVOGDHOOAV-CABCVRRESA-N 0 3 367.494 -0.792 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000570646433 484220499 /nfs/dbraw/zinc/22/04/99/484220499.db2.gz VSOVZVOGDHOOAV-GJZGRUSLSA-N 0 3 367.494 -0.792 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000570646436 484219495 /nfs/dbraw/zinc/21/94/95/484219495.db2.gz VSOVZVOGDHOOAV-HUUCEWRRSA-N 0 3 367.494 -0.792 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000570646441 484220329 /nfs/dbraw/zinc/22/03/29/484220329.db2.gz VSOVZVOGDHOOAV-LSDHHAIUSA-N 0 3 367.494 -0.792 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCn3ncc(=O)c4ccccc43)CCN2C1=O ZINC000570649760 484221594 /nfs/dbraw/zinc/22/15/94/484221594.db2.gz PTPDLRNGTQKHDM-GXTWGEPZSA-N 0 3 355.398 -0.443 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCn3ncc(=O)c4ccccc43)CCN2C1=O ZINC000570649777 484221279 /nfs/dbraw/zinc/22/12/79/484221279.db2.gz PTPDLRNGTQKHDM-JSGCOSHPSA-N 0 3 355.398 -0.443 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCn3ncc(=O)c4ccccc43)CCN2C1=O ZINC000570649782 484221740 /nfs/dbraw/zinc/22/17/40/484221740.db2.gz PTPDLRNGTQKHDM-OCCSQVGLSA-N 0 3 355.398 -0.443 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCn3ncc(=O)c4ccccc43)CCN2C1=O ZINC000570649784 484221635 /nfs/dbraw/zinc/22/16/35/484221635.db2.gz PTPDLRNGTQKHDM-TZMCWYRMSA-N 0 3 355.398 -0.443 20 0 FBADHN Cc1cn(-c2ncccc2F)nc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570650018 484435541 /nfs/dbraw/zinc/43/55/41/484435541.db2.gz NXKKKTQEGOGCJT-AAEUAGOBSA-N 0 3 373.392 0.491 20 0 FBADHN Cc1cn(-c2ncccc2F)nc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570650030 484435509 /nfs/dbraw/zinc/43/55/09/484435509.db2.gz NXKKKTQEGOGCJT-DGCLKSJQSA-N 0 3 373.392 0.491 20 0 FBADHN Cc1cn(-c2ncccc2F)nc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570650031 484435271 /nfs/dbraw/zinc/43/52/71/484435271.db2.gz NXKKKTQEGOGCJT-WCQYABFASA-N 0 3 373.392 0.491 20 0 FBADHN Cc1cn(-c2ncccc2F)nc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570650032 484435195 /nfs/dbraw/zinc/43/51/95/484435195.db2.gz NXKKKTQEGOGCJT-YPMHNXCESA-N 0 3 373.392 0.491 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc4[nH]ccc4c3)CCN2C1=O ZINC000570651063 484221390 /nfs/dbraw/zinc/22/13/90/484221390.db2.gz OWFIGMSVQNFUDU-CABCVRRESA-N 0 3 369.425 -0.403 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc4[nH]ccc4c3)CCN2C1=O ZINC000570651081 484221321 /nfs/dbraw/zinc/22/13/21/484221321.db2.gz OWFIGMSVQNFUDU-GJZGRUSLSA-N 0 3 369.425 -0.403 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc4[nH]ccc4c3)CCN2C1=O ZINC000570651082 484221207 /nfs/dbraw/zinc/22/12/07/484221207.db2.gz OWFIGMSVQNFUDU-HUUCEWRRSA-N 0 3 369.425 -0.403 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc4[nH]ccc4c3)CCN2C1=O ZINC000570651085 484221879 /nfs/dbraw/zinc/22/18/79/484221879.db2.gz OWFIGMSVQNFUDU-LSDHHAIUSA-N 0 3 369.425 -0.403 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCO4)CCN2C1=O ZINC000570652813 484219866 /nfs/dbraw/zinc/21/98/66/484219866.db2.gz VSWUVTURLFCDPX-KBPBESRZSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCO4)CCN2C1=O ZINC000570652821 484219560 /nfs/dbraw/zinc/21/95/60/484219560.db2.gz VSWUVTURLFCDPX-KGLIPLIRSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCO4)CCN2C1=O ZINC000570652824 484219851 /nfs/dbraw/zinc/21/98/51/484219851.db2.gz VSWUVTURLFCDPX-UONOGXRCSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCO4)CCN2C1=O ZINC000570652830 484220029 /nfs/dbraw/zinc/22/00/29/484220029.db2.gz VSWUVTURLFCDPX-ZIAGYGMSSA-N 0 3 358.398 -0.280 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000570660739 484222579 /nfs/dbraw/zinc/22/25/79/484222579.db2.gz XHAICUONHSOGNI-KBPBESRZSA-N 0 3 372.491 -0.777 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000570660740 484222431 /nfs/dbraw/zinc/22/24/31/484222431.db2.gz XHAICUONHSOGNI-KGLIPLIRSA-N 0 3 372.491 -0.777 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000570660741 484222598 /nfs/dbraw/zinc/22/25/98/484222598.db2.gz XHAICUONHSOGNI-UONOGXRCSA-N 0 3 372.491 -0.777 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000570660742 484223254 /nfs/dbraw/zinc/22/32/54/484223254.db2.gz XHAICUONHSOGNI-ZIAGYGMSSA-N 0 3 372.491 -0.777 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CCSC1 ZINC000570668415 484227032 /nfs/dbraw/zinc/22/70/32/484227032.db2.gz USVBCRBPEJUABP-KRWDZBQOSA-N 0 3 372.535 -0.545 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CCSC1 ZINC000570668416 484227086 /nfs/dbraw/zinc/22/70/86/484227086.db2.gz USVBCRBPEJUABP-QGZVFWFLSA-N 0 3 372.535 -0.545 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000570679006 484226789 /nfs/dbraw/zinc/22/67/89/484226789.db2.gz NDVVVPGBRNNYBO-AWEZNQCLSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000570679007 484227295 /nfs/dbraw/zinc/22/72/95/484227295.db2.gz NDVVVPGBRNNYBO-CQSZACIVSA-N 0 3 352.479 -0.044 20 0 FBADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000570682644 484228281 /nfs/dbraw/zinc/22/82/81/484228281.db2.gz QWMCIGALRBHXRD-LSDHHAIUSA-N 0 3 352.479 -0.282 20 0 FBADHN CN1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)[C@@H](CN)C1 ZINC000570693637 484230027 /nfs/dbraw/zinc/23/00/27/484230027.db2.gz NNXXBUMNXFSDMB-HNNXBMFYSA-N 0 3 369.491 -0.610 20 0 FBADHN CN1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)[C@H](CN)C1 ZINC000570693638 484229929 /nfs/dbraw/zinc/22/99/29/484229929.db2.gz NNXXBUMNXFSDMB-OAHLLOKOSA-N 0 3 369.491 -0.610 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)[C@@H](CN)C1 ZINC000570697656 484230631 /nfs/dbraw/zinc/23/06/31/484230631.db2.gz BAXSRAYHJOGWCL-KRWDZBQOSA-N 0 3 370.457 -0.351 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)[C@H](CN)C1 ZINC000570697657 484230526 /nfs/dbraw/zinc/23/05/26/484230526.db2.gz BAXSRAYHJOGWCL-QGZVFWFLSA-N 0 3 370.457 -0.351 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3n[nH]cc3Br)CCN2C1=O ZINC000570698106 484230565 /nfs/dbraw/zinc/23/05/65/484230565.db2.gz FYHNKMXLDHGCPJ-APPZFPTMSA-N 0 3 357.212 -0.374 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3n[nH]cc3Br)CCN2C1=O ZINC000570698112 484230514 /nfs/dbraw/zinc/23/05/14/484230514.db2.gz FYHNKMXLDHGCPJ-CBAPKCEASA-N 0 3 357.212 -0.374 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3n[nH]cc3Br)CCN2C1=O ZINC000570698113 484230572 /nfs/dbraw/zinc/23/05/72/484230572.db2.gz FYHNKMXLDHGCPJ-IONNQARKSA-N 0 3 357.212 -0.374 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3n[nH]cc3Br)CCN2C1=O ZINC000570698115 484230994 /nfs/dbraw/zinc/23/09/94/484230994.db2.gz FYHNKMXLDHGCPJ-VXNVDRBHSA-N 0 3 357.212 -0.374 20 0 FBADHN CCC(CC)[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)OC ZINC000570698725 484230871 /nfs/dbraw/zinc/23/08/71/484230871.db2.gz VHCTXAJSNOSLRD-ILXRZTDVSA-N 0 3 368.478 -0.286 20 0 FBADHN CCC(CC)[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)OC ZINC000570698728 484230473 /nfs/dbraw/zinc/23/04/73/484230473.db2.gz VHCTXAJSNOSLRD-KFWWJZLASA-N 0 3 368.478 -0.286 20 0 FBADHN CCC(CC)[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)OC ZINC000570698729 484230608 /nfs/dbraw/zinc/23/06/08/484230608.db2.gz VHCTXAJSNOSLRD-KKUMJFAQSA-N 0 3 368.478 -0.286 20 0 FBADHN CCC(CC)[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)OC ZINC000570698730 484230950 /nfs/dbraw/zinc/23/09/50/484230950.db2.gz VHCTXAJSNOSLRD-ZNMIVQPWSA-N 0 3 368.478 -0.286 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(S(N)(=O)=O)c1C ZINC000570699324 484230723 /nfs/dbraw/zinc/23/07/23/484230723.db2.gz UYVPZUSNLFQZRI-CHWSQXEVSA-N 0 3 366.443 -0.665 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(S(N)(=O)=O)c1C ZINC000570699325 484230772 /nfs/dbraw/zinc/23/07/72/484230772.db2.gz UYVPZUSNLFQZRI-OLZOCXBDSA-N 0 3 366.443 -0.665 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(S(N)(=O)=O)c1C ZINC000570699326 484230600 /nfs/dbraw/zinc/23/06/00/484230600.db2.gz UYVPZUSNLFQZRI-QWHCGFSZSA-N 0 3 366.443 -0.665 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(S(N)(=O)=O)c1C ZINC000570699327 484231099 /nfs/dbraw/zinc/23/10/99/484231099.db2.gz UYVPZUSNLFQZRI-STQMWFEESA-N 0 3 366.443 -0.665 20 0 FBADHN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C(=O)NC1CNC1 ZINC000570699350 484230521 /nfs/dbraw/zinc/23/05/21/484230521.db2.gz QCNOAENWZLBBRJ-HNNXBMFYSA-N 0 3 366.849 -0.083 20 0 FBADHN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C(=O)NC1CNC1 ZINC000570699351 484231064 /nfs/dbraw/zinc/23/10/64/484231064.db2.gz QCNOAENWZLBBRJ-OAHLLOKOSA-N 0 3 366.849 -0.083 20 0 FBADHN CO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1(C)C ZINC000570704516 484231716 /nfs/dbraw/zinc/23/17/16/484231716.db2.gz UEORKOSLDAUUCF-QLFBSQMISA-N 0 3 354.495 -0.084 20 0 FBADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1(C)C ZINC000570704519 484232128 /nfs/dbraw/zinc/23/21/28/484232128.db2.gz UEORKOSLDAUUCF-RBSFLKMASA-N 0 3 354.495 -0.084 20 0 FBADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1(C)C ZINC000570704520 484231520 /nfs/dbraw/zinc/23/15/20/484231520.db2.gz UEORKOSLDAUUCF-RRFJBIMHSA-N 0 3 354.495 -0.084 20 0 FBADHN CO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1(C)C ZINC000570704522 484231783 /nfs/dbraw/zinc/23/17/83/484231783.db2.gz UEORKOSLDAUUCF-SOUVJXGZSA-N 0 3 354.495 -0.084 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000570705033 484231965 /nfs/dbraw/zinc/23/19/65/484231965.db2.gz NSOBFIARAAJNPI-UHFFFAOYSA-N 0 3 368.478 -0.317 20 0 FBADHN COC[C@@H](O)CNCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000570710228 484233312 /nfs/dbraw/zinc/23/33/12/484233312.db2.gz OSYSWNOSRZSOKK-INIZCTEOSA-N 0 3 358.460 -0.055 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)O1 ZINC000570711295 484232894 /nfs/dbraw/zinc/23/28/94/484232894.db2.gz SFDFDMDFTLUWRP-BJJXKVORSA-N 0 3 363.414 -0.067 20 0 FBADHN NC(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)O1 ZINC000570711296 484233374 /nfs/dbraw/zinc/23/33/74/484233374.db2.gz SFDFDMDFTLUWRP-INWMFGNUSA-N 0 3 363.414 -0.067 20 0 FBADHN NC(=O)[C@@H]1CC[C@@H](CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)O1 ZINC000570711298 484233459 /nfs/dbraw/zinc/23/34/59/484233459.db2.gz SFDFDMDFTLUWRP-NOLJZWGESA-N 0 3 363.414 -0.067 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)O1 ZINC000570711300 484233275 /nfs/dbraw/zinc/23/32/75/484233275.db2.gz SFDFDMDFTLUWRP-XPKDYRNWSA-N 0 3 363.414 -0.067 20 0 FBADHN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCOC2CNC2)CC1 ZINC000570715083 484233443 /nfs/dbraw/zinc/23/34/43/484233443.db2.gz YMKUMLNDDHLGFC-UHFFFAOYSA-N 0 3 355.435 -0.375 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000570716565 484233432 /nfs/dbraw/zinc/23/34/32/484233432.db2.gz MMRKOFNTESRGFF-UHFFFAOYSA-N 0 3 362.394 -0.983 20 0 FBADHN CCCn1c(N)c(C(=O)CN2CC[C@H]3OCCN[C@H]3C2)c(=O)[nH]c1=O ZINC000570730203 484234359 /nfs/dbraw/zinc/23/43/59/484234359.db2.gz RIPGYLSUQFXPTI-CMPLNLGQSA-N 0 3 351.407 -0.814 20 0 FBADHN CCCn1c(N)c(C(=O)CN2CC[C@@H]3OCCN[C@H]3C2)c(=O)[nH]c1=O ZINC000570730210 484234660 /nfs/dbraw/zinc/23/46/60/484234660.db2.gz RIPGYLSUQFXPTI-JQWIXIFHSA-N 0 3 351.407 -0.814 20 0 FBADHN CCCn1c(N)c(C(=O)CN2CC[C@@H]3OCCN[C@@H]3C2)c(=O)[nH]c1=O ZINC000570730212 484234384 /nfs/dbraw/zinc/23/43/84/484234384.db2.gz RIPGYLSUQFXPTI-PWSUYJOCSA-N 0 3 351.407 -0.814 20 0 FBADHN CCCn1c(N)c(C(=O)CN2CC[C@H]3OCCN[C@@H]3C2)c(=O)[nH]c1=O ZINC000570730213 484234668 /nfs/dbraw/zinc/23/46/68/484234668.db2.gz RIPGYLSUQFXPTI-ZYHUDNBSSA-N 0 3 351.407 -0.814 20 0 FBADHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cn1 ZINC000570731358 484234917 /nfs/dbraw/zinc/23/49/17/484234917.db2.gz UGQZJPPHJJUSHQ-FMKPAKJESA-N 0 3 374.445 -0.837 20 0 FBADHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cn1 ZINC000570731360 484234114 /nfs/dbraw/zinc/23/41/14/484234114.db2.gz UGQZJPPHJJUSHQ-LZWOXQAQSA-N 0 3 374.445 -0.837 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)OC)O2)CC1 ZINC000570764122 484239014 /nfs/dbraw/zinc/23/90/14/484239014.db2.gz HGBNOWBCROAJLP-UONOGXRCSA-N 0 3 355.435 -0.280 20 0 FBADHN COC(=O)Cc1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000570766046 484238969 /nfs/dbraw/zinc/23/89/69/484238969.db2.gz FGYZIABYGQFOOX-UHFFFAOYSA-N 0 3 363.414 -0.087 20 0 FBADHN COC(=O)[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000570781312 484240322 /nfs/dbraw/zinc/24/03/22/484240322.db2.gz KYEKJMQVKWUUMG-HZSPNIEDSA-N 0 3 352.435 -0.114 20 0 FBADHN COC(=O)[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000570781313 484240833 /nfs/dbraw/zinc/24/08/33/484240833.db2.gz KYEKJMQVKWUUMG-MJBXVCDLSA-N 0 3 352.435 -0.114 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1OC ZINC000570786685 484240411 /nfs/dbraw/zinc/24/04/11/484240411.db2.gz LRRZAHBJIIZIPL-AWEZNQCLSA-N 0 3 364.446 -0.536 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1OC ZINC000570786686 484240125 /nfs/dbraw/zinc/24/01/25/484240125.db2.gz LRRZAHBJIIZIPL-CQSZACIVSA-N 0 3 364.446 -0.536 20 0 FBADHN CC1(C)COC[C@@H]1NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000570790493 484242554 /nfs/dbraw/zinc/24/25/54/484242554.db2.gz VLZKFIRWDWMYOK-HNNXBMFYSA-N 0 3 368.478 -0.996 20 0 FBADHN CC1(C)COC[C@H]1NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000570790495 484242455 /nfs/dbraw/zinc/24/24/55/484242455.db2.gz VLZKFIRWDWMYOK-OAHLLOKOSA-N 0 3 368.478 -0.996 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N(C)C[C@H]2CCCN2C)cn1C ZINC000570792388 484241932 /nfs/dbraw/zinc/24/19/32/484241932.db2.gz LIAJCZMYMVUWNM-CYBMUJFWSA-N 0 3 357.480 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N(C)C[C@@H]2CCCN2C)cn1C ZINC000570792389 484242119 /nfs/dbraw/zinc/24/21/19/484242119.db2.gz LIAJCZMYMVUWNM-ZDUSSCGKSA-N 0 3 357.480 -0.050 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccco2)CC1 ZINC000570811575 484245368 /nfs/dbraw/zinc/24/53/68/484245368.db2.gz IWZWZOZYLZFGBL-HNNXBMFYSA-N 0 3 362.430 -0.297 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccco2)CC1 ZINC000570811576 484244890 /nfs/dbraw/zinc/24/48/90/484244890.db2.gz IWZWZOZYLZFGBL-OAHLLOKOSA-N 0 3 362.430 -0.297 20 0 FBADHN O=C(NCC(=O)N1CCNCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000570813802 484246137 /nfs/dbraw/zinc/24/61/37/484246137.db2.gz ZRLGILAROPADAY-UHFFFAOYSA-N 0 3 367.494 -0.248 20 0 FBADHN O=C(NCCN1CC[NH2+]CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000570817082 484245989 /nfs/dbraw/zinc/24/59/89/484245989.db2.gz BOECUXPTBVYMJM-UHFFFAOYSA-N 0 3 361.446 -0.235 20 0 FBADHN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)C(=O)NC1CNC1 ZINC000570819143 484245260 /nfs/dbraw/zinc/24/52/60/484245260.db2.gz RQPSQMPWIVPHIK-HNNXBMFYSA-N 0 3 366.849 -0.083 20 0 FBADHN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)C(=O)NC1CNC1 ZINC000570819150 484245034 /nfs/dbraw/zinc/24/50/34/484245034.db2.gz RQPSQMPWIVPHIK-OAHLLOKOSA-N 0 3 366.849 -0.083 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000570823369 484247385 /nfs/dbraw/zinc/24/73/85/484247385.db2.gz OHJPQXVQZHJDBX-GXTWGEPZSA-N 0 3 372.491 -0.707 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000570823374 484247441 /nfs/dbraw/zinc/24/74/41/484247441.db2.gz OHJPQXVQZHJDBX-JSGCOSHPSA-N 0 3 372.491 -0.707 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000570823375 484248424 /nfs/dbraw/zinc/24/84/24/484248424.db2.gz OHJPQXVQZHJDBX-OCCSQVGLSA-N 0 3 372.491 -0.707 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000570823376 484247982 /nfs/dbraw/zinc/24/79/82/484247982.db2.gz OHJPQXVQZHJDBX-TZMCWYRMSA-N 0 3 372.491 -0.707 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)CC2 ZINC000570823476 484248531 /nfs/dbraw/zinc/24/85/31/484248531.db2.gz QNXQYLXMVZFYRQ-CHWSQXEVSA-N 0 3 364.450 -0.592 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)CC2 ZINC000570823478 484247825 /nfs/dbraw/zinc/24/78/25/484247825.db2.gz QNXQYLXMVZFYRQ-OLZOCXBDSA-N 0 3 364.450 -0.592 20 0 FBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)CC2 ZINC000570823479 484247837 /nfs/dbraw/zinc/24/78/37/484247837.db2.gz QNXQYLXMVZFYRQ-QWHCGFSZSA-N 0 3 364.450 -0.592 20 0 FBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)CC2 ZINC000570823485 484247406 /nfs/dbraw/zinc/24/74/06/484247406.db2.gz QNXQYLXMVZFYRQ-STQMWFEESA-N 0 3 364.450 -0.592 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000570824692 484248007 /nfs/dbraw/zinc/24/80/07/484248007.db2.gz UKGIEIHZNZIIPJ-KRWDZBQOSA-N 0 3 350.419 -0.576 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000570824695 484247109 /nfs/dbraw/zinc/24/71/09/484247109.db2.gz UKGIEIHZNZIIPJ-QGZVFWFLSA-N 0 3 350.419 -0.576 20 0 FBADHN COc1ccc(-n2nnc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2C)cc1 ZINC000570826706 484246997 /nfs/dbraw/zinc/24/69/97/484246997.db2.gz FYOOWXUUKACODT-DZGCQCFKSA-N 0 3 370.413 -0.032 20 0 FBADHN COc1ccc(-n2nnc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2C)cc1 ZINC000570826707 484247519 /nfs/dbraw/zinc/24/75/19/484247519.db2.gz FYOOWXUUKACODT-HIFRSBDPSA-N 0 3 370.413 -0.032 20 0 FBADHN COc1ccc(-n2nnc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2C)cc1 ZINC000570826708 484247891 /nfs/dbraw/zinc/24/78/91/484247891.db2.gz FYOOWXUUKACODT-UKRRQHHQSA-N 0 3 370.413 -0.032 20 0 FBADHN COc1ccc(-n2nnc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2C)cc1 ZINC000570826709 484247483 /nfs/dbraw/zinc/24/74/83/484247483.db2.gz FYOOWXUUKACODT-ZFWWWQNUSA-N 0 3 370.413 -0.032 20 0 FBADHN CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1CCOCC1 ZINC000570826837 484247464 /nfs/dbraw/zinc/24/74/64/484247464.db2.gz BJKZCICEHACSAS-BZUAXINKSA-N 0 3 367.494 -0.313 20 0 FBADHN CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1CCOCC1 ZINC000570826839 484248040 /nfs/dbraw/zinc/24/80/40/484248040.db2.gz BJKZCICEHACSAS-OAGGEKHMSA-N 0 3 367.494 -0.313 20 0 FBADHN CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1CCOCC1 ZINC000570826841 484248504 /nfs/dbraw/zinc/24/85/04/484248504.db2.gz BJKZCICEHACSAS-OWCLPIDISA-N 0 3 367.494 -0.313 20 0 FBADHN CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1CCOCC1 ZINC000570826843 484248550 /nfs/dbraw/zinc/24/85/50/484248550.db2.gz BJKZCICEHACSAS-PMPSAXMXSA-N 0 3 367.494 -0.313 20 0 FBADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1-n1cnnn1 ZINC000570827168 484250162 /nfs/dbraw/zinc/25/01/62/484250162.db2.gz KXLSGIRUNGCWOA-CHWSQXEVSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1-n1cnnn1 ZINC000570827169 484249144 /nfs/dbraw/zinc/24/91/44/484249144.db2.gz KXLSGIRUNGCWOA-OLZOCXBDSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1-n1cnnn1 ZINC000570827170 484250002 /nfs/dbraw/zinc/25/00/02/484250002.db2.gz KXLSGIRUNGCWOA-QWHCGFSZSA-N 0 3 356.390 -0.254 20 0 FBADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1-n1cnnn1 ZINC000570827171 484250258 /nfs/dbraw/zinc/25/02/58/484250258.db2.gz KXLSGIRUNGCWOA-STQMWFEESA-N 0 3 356.390 -0.254 20 0 FBADHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570828066 484250205 /nfs/dbraw/zinc/25/02/05/484250205.db2.gz UMKJUTKFVJGRFB-BPLDGKMQSA-N 0 3 359.430 -0.355 20 0 FBADHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570828067 484249966 /nfs/dbraw/zinc/24/99/66/484249966.db2.gz UMKJUTKFVJGRFB-SNPRPXQTSA-N 0 3 359.430 -0.355 20 0 FBADHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570828068 484249936 /nfs/dbraw/zinc/24/99/36/484249936.db2.gz UMKJUTKFVJGRFB-VHDGCEQUSA-N 0 3 359.430 -0.355 20 0 FBADHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570828069 484250232 /nfs/dbraw/zinc/25/02/32/484250232.db2.gz UMKJUTKFVJGRFB-YUELXQCFSA-N 0 3 359.430 -0.355 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H](C)O1 ZINC000570836347 484249032 /nfs/dbraw/zinc/24/90/32/484249032.db2.gz VFVIPSZDXHCJAN-IYBDPMFKSA-N 0 3 370.494 -0.872 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)[C@H]2C1 ZINC000570838095 484251187 /nfs/dbraw/zinc/25/11/87/484251187.db2.gz IAQNRKOMFBPUQE-UONOGXRCSA-N 0 3 371.463 -0.758 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCCNCC1 ZINC000570842485 484250282 /nfs/dbraw/zinc/25/02/82/484250282.db2.gz FJZWJKPGVOXFKW-LLVKDONJSA-N 0 3 354.432 -0.726 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCCNCC1 ZINC000570842486 484250152 /nfs/dbraw/zinc/25/01/52/484250152.db2.gz FJZWJKPGVOXFKW-NSHDSACASA-N 0 3 354.432 -0.726 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000570844343 484251652 /nfs/dbraw/zinc/25/16/52/484251652.db2.gz PYIGQIOYEJEAAO-UHFFFAOYSA-N 0 3 367.425 -0.436 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866956 484253065 /nfs/dbraw/zinc/25/30/65/484253065.db2.gz HKMUKLSCGRSQHD-MSOLQXFVSA-N 0 3 371.485 -0.031 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866958 484252168 /nfs/dbraw/zinc/25/21/68/484252168.db2.gz HKMUKLSCGRSQHD-QZTJIDSGSA-N 0 3 371.485 -0.031 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866960 484253297 /nfs/dbraw/zinc/25/32/97/484253297.db2.gz HKMUKLSCGRSQHD-ROUUACIJSA-N 0 3 371.485 -0.031 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866963 484252230 /nfs/dbraw/zinc/25/22/30/484252230.db2.gz HKMUKLSCGRSQHD-ZWKOTPCHSA-N 0 3 371.485 -0.031 20 0 FBADHN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000570868515 484255155 /nfs/dbraw/zinc/25/51/55/484255155.db2.gz RNZJIJLYONKWDL-CHWSQXEVSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000570868518 484254567 /nfs/dbraw/zinc/25/45/67/484254567.db2.gz RNZJIJLYONKWDL-OLZOCXBDSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000570868520 484253903 /nfs/dbraw/zinc/25/39/03/484253903.db2.gz RNZJIJLYONKWDL-QWHCGFSZSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000570868521 484254234 /nfs/dbraw/zinc/25/42/34/484254234.db2.gz RNZJIJLYONKWDL-STQMWFEESA-N 0 3 367.427 -0.286 20 0 FBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1CCCN1C ZINC000570869761 484252270 /nfs/dbraw/zinc/25/22/70/484252270.db2.gz ISDZMYPYDRUPLF-CHWSQXEVSA-N 0 3 360.480 -0.585 20 0 FBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1CCCN1C ZINC000570869768 484252202 /nfs/dbraw/zinc/25/22/02/484252202.db2.gz ISDZMYPYDRUPLF-OLZOCXBDSA-N 0 3 360.480 -0.585 20 0 FBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H]1CCCN1C ZINC000570869769 484252824 /nfs/dbraw/zinc/25/28/24/484252824.db2.gz ISDZMYPYDRUPLF-QWHCGFSZSA-N 0 3 360.480 -0.585 20 0 FBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1CCCN1C ZINC000570869770 484253277 /nfs/dbraw/zinc/25/32/77/484253277.db2.gz ISDZMYPYDRUPLF-STQMWFEESA-N 0 3 360.480 -0.585 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC([C@H](C)O)CC2)CC1 ZINC000570871535 484254371 /nfs/dbraw/zinc/25/43/71/484254371.db2.gz IFASKBPCRAASJB-CVEARBPZSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC([C@H](C)O)CC2)CC1 ZINC000570871537 484254476 /nfs/dbraw/zinc/25/44/76/484254476.db2.gz IFASKBPCRAASJB-HOTGVXAUSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC([C@@H](C)O)CC2)CC1 ZINC000570871539 484255460 /nfs/dbraw/zinc/25/54/60/484255460.db2.gz IFASKBPCRAASJB-HZPDHXFCSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC([C@@H](C)O)CC2)CC1 ZINC000570871541 484253923 /nfs/dbraw/zinc/25/39/23/484253923.db2.gz IFASKBPCRAASJB-JKSUJKDBSA-N 0 3 368.522 -0.004 20 0 FBADHN COc1cccc(N2C[C@@H](NC[C@@H](O)CN3CCN(C)CC3)CC2=O)c1 ZINC000570874310 484254546 /nfs/dbraw/zinc/25/45/46/484254546.db2.gz XPHRLEQBVDHRJD-DOTOQJQBSA-N 0 3 362.474 -0.002 20 0 FBADHN COc1cccc(N2C[C@H](NC[C@@H](O)CN3CCN(C)CC3)CC2=O)c1 ZINC000570874311 484255178 /nfs/dbraw/zinc/25/51/78/484255178.db2.gz XPHRLEQBVDHRJD-NVXWUHKLSA-N 0 3 362.474 -0.002 20 0 FBADHN COc1cccc(N2C[C@@H](NC[C@H](O)CN3CCN(C)CC3)CC2=O)c1 ZINC000570874312 484255210 /nfs/dbraw/zinc/25/52/10/484255210.db2.gz XPHRLEQBVDHRJD-RDJZCZTQSA-N 0 3 362.474 -0.002 20 0 FBADHN COc1cccc(N2C[C@H](NC[C@H](O)CN3CCN(C)CC3)CC2=O)c1 ZINC000570874313 484255334 /nfs/dbraw/zinc/25/53/34/484255334.db2.gz XPHRLEQBVDHRJD-WBVHZDCISA-N 0 3 362.474 -0.002 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000570881872 484254443 /nfs/dbraw/zinc/25/44/43/484254443.db2.gz GGWFRHDXZBLCPE-UHFFFAOYSA-N 0 3 369.510 -0.639 20 0 FBADHN O=C(Nc1cccc(N2C(=O)COCC2=O)c1)[C@@H]1CN2CCN1CCC2 ZINC000570897486 484256834 /nfs/dbraw/zinc/25/68/34/484256834.db2.gz CEHJMCGWWRSQJC-HNNXBMFYSA-N 0 3 358.398 -0.095 20 0 FBADHN O=C(Nc1cccc(N2C(=O)COCC2=O)c1)[C@H]1CN2CCN1CCC2 ZINC000570897487 484256428 /nfs/dbraw/zinc/25/64/28/484256428.db2.gz CEHJMCGWWRSQJC-OAHLLOKOSA-N 0 3 358.398 -0.095 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000570906168 484258330 /nfs/dbraw/zinc/25/83/30/484258330.db2.gz HYAXJDBQVRUXDB-FXUDXRNXSA-N 0 3 350.463 -0.387 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000570906216 484258625 /nfs/dbraw/zinc/25/86/25/484258625.db2.gz QOXWBOHUVMIPNE-QLFBSQMISA-N 0 3 352.479 -0.548 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000570906217 484258042 /nfs/dbraw/zinc/25/80/42/484258042.db2.gz QOXWBOHUVMIPNE-SOUVJXGZSA-N 0 3 352.479 -0.548 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000570919180 484257834 /nfs/dbraw/zinc/25/78/34/484257834.db2.gz GAQVSQCAFCFIAS-KFWWJZLASA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000570919181 484257305 /nfs/dbraw/zinc/25/73/05/484257305.db2.gz GAQVSQCAFCFIAS-SOUVJXGZSA-N 0 3 352.479 -0.357 20 0 FBADHN CN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC12CCCCC2 ZINC000570940404 484289187 /nfs/dbraw/zinc/28/91/87/484289187.db2.gz SCNOBYTWXXDFHG-UHFFFAOYSA-N 0 3 363.462 -0.201 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1OC ZINC000570943769 484294272 /nfs/dbraw/zinc/29/42/72/484294272.db2.gz WDHFQSSPMJZXCM-AWEZNQCLSA-N 0 3 364.446 -0.536 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1OC ZINC000570943770 484293107 /nfs/dbraw/zinc/29/31/07/484293107.db2.gz WDHFQSSPMJZXCM-CQSZACIVSA-N 0 3 364.446 -0.536 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000570950688 483473164 /nfs/dbraw/zinc/47/31/64/483473164.db2.gz YVHFOYPIJBYZRF-KGLIPLIRSA-N 0 3 361.512 -0.007 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000570950689 483473693 /nfs/dbraw/zinc/47/36/93/483473693.db2.gz YVHFOYPIJBYZRF-ZIAGYGMSSA-N 0 3 361.512 -0.007 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)[C@H](CN)OC)CC2)c(OC)c1 ZINC000570954773 483530120 /nfs/dbraw/zinc/53/01/20/483530120.db2.gz PDZWCVFIUQVWCP-HNNXBMFYSA-N 0 3 351.403 -0.038 20 0 FBADHN COc1ccc(C(=O)N2CCN(C(=O)[C@@H](CN)OC)CC2)c(OC)c1 ZINC000570954776 483531483 /nfs/dbraw/zinc/53/14/83/483531483.db2.gz PDZWCVFIUQVWCP-OAHLLOKOSA-N 0 3 351.403 -0.038 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(N3CCNCC3)n[nH]2)C1 ZINC000570961870 483915818 /nfs/dbraw/zinc/91/58/18/483915818.db2.gz BRJYKSPGKYVXQA-LLVKDONJSA-N 0 3 371.467 -0.786 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(N3CCNCC3)n[nH]2)C1 ZINC000570961871 483916102 /nfs/dbraw/zinc/91/61/02/483916102.db2.gz BRJYKSPGKYVXQA-NSHDSACASA-N 0 3 371.467 -0.786 20 0 FBADHN COc1ccc(C(=O)NCC(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000570962205 483916449 /nfs/dbraw/zinc/91/64/49/483916449.db2.gz NTCCGUIRRLDSGS-UHFFFAOYSA-N 0 3 359.390 -0.409 20 0 FBADHN COCCNCCNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000570967616 483918820 /nfs/dbraw/zinc/91/88/20/483918820.db2.gz KRROKESHCKDRHF-UHFFFAOYSA-N 0 3 372.447 -0.725 20 0 FBADHN CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)[C@H](CN)C1 ZINC000570970301 483919474 /nfs/dbraw/zinc/91/94/74/483919474.db2.gz UIPKWOPWWMRFAH-LLVKDONJSA-N 0 3 372.429 -0.374 20 0 FBADHN CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)[C@@H](CN)C1 ZINC000570970302 483919061 /nfs/dbraw/zinc/91/90/61/483919061.db2.gz UIPKWOPWWMRFAH-NSHDSACASA-N 0 3 372.429 -0.374 20 0 FBADHN CSC1(CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)CCN(C)CC1 ZINC000570977804 484470075 /nfs/dbraw/zinc/47/00/75/484470075.db2.gz GSTDYQUILVQOHR-UHFFFAOYSA-N 0 3 369.495 0.315 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2nnc3c2CCCC3)CC1 ZINC000570983084 483919931 /nfs/dbraw/zinc/91/99/31/483919931.db2.gz HYGMODNDEURWBA-INIZCTEOSA-N 0 3 360.462 -0.078 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2nnc3c2CCCC3)CC1 ZINC000570983085 483921040 /nfs/dbraw/zinc/92/10/40/483921040.db2.gz HYGMODNDEURWBA-MRXNPFEDSA-N 0 3 360.462 -0.078 20 0 FBADHN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)NCCN(C)C ZINC000570983850 483918560 /nfs/dbraw/zinc/91/85/60/483918560.db2.gz UHFMAUKMTGJZHF-JTQLQIEISA-N 0 3 360.436 -0.674 20 0 FBADHN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)NCCN(C)C ZINC000570983855 483919534 /nfs/dbraw/zinc/91/95/34/483919534.db2.gz UHFMAUKMTGJZHF-SNVBAGLBSA-N 0 3 360.436 -0.674 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)CC(F)(F)F ZINC000570986320 483920862 /nfs/dbraw/zinc/92/08/62/483920862.db2.gz YSZMBJQHJHHQLD-AEJSXWLSSA-N 0 3 350.341 -0.539 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)CC(F)(F)F ZINC000570986321 483920287 /nfs/dbraw/zinc/92/02/87/483920287.db2.gz YSZMBJQHJHHQLD-GUBZILKMSA-N 0 3 350.341 -0.539 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)CC(F)(F)F ZINC000570986322 483919948 /nfs/dbraw/zinc/91/99/48/483919948.db2.gz YSZMBJQHJHHQLD-IVZWLZJFSA-N 0 3 350.341 -0.539 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)CC(F)(F)F ZINC000570986323 483920679 /nfs/dbraw/zinc/92/06/79/483920679.db2.gz YSZMBJQHJHHQLD-LPEHRKFASA-N 0 3 350.341 -0.539 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000571004686 483922506 /nfs/dbraw/zinc/92/25/06/483922506.db2.gz GJNTVXPULUOQLB-HTQZYQBOSA-N 0 3 362.326 -0.614 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000571004687 483921981 /nfs/dbraw/zinc/92/19/81/483921981.db2.gz GJNTVXPULUOQLB-JGVFFNPUSA-N 0 3 362.326 -0.614 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000571004688 483922402 /nfs/dbraw/zinc/92/24/02/483922402.db2.gz GJNTVXPULUOQLB-SFYZADRCSA-N 0 3 362.326 -0.614 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000571004689 483922155 /nfs/dbraw/zinc/92/21/55/483922155.db2.gz GJNTVXPULUOQLB-YUMQZZPRSA-N 0 3 362.326 -0.614 20 0 FBADHN CO[C@@H]1CCC[C@H]1NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000571035199 483924755 /nfs/dbraw/zinc/92/47/55/483924755.db2.gz SUQULXGPZTWNGF-HZPDHXFCSA-N 0 3 368.478 -0.854 20 0 FBADHN O=C(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571037861 483924369 /nfs/dbraw/zinc/92/43/69/483924369.db2.gz JLSVFFWIXSRZOE-ZBFHGGJFSA-N 0 3 372.425 -0.503 20 0 FBADHN N[C@@H](CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000571043452 483930783 /nfs/dbraw/zinc/93/07/83/483930783.db2.gz DGSVVFMNFGCCKT-HNNXBMFYSA-N 0 3 372.425 -0.104 20 0 FBADHN N[C@H](CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000571043453 483931420 /nfs/dbraw/zinc/93/14/20/483931420.db2.gz DGSVVFMNFGCCKT-OAHLLOKOSA-N 0 3 372.425 -0.104 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000571057712 483939383 /nfs/dbraw/zinc/93/93/83/483939383.db2.gz DFAOSAMEJMUISF-HNNXBMFYSA-N 0 3 352.483 -0.396 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000571057715 483939119 /nfs/dbraw/zinc/93/91/19/483939119.db2.gz DFAOSAMEJMUISF-OAHLLOKOSA-N 0 3 352.483 -0.396 20 0 FBADHN CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000571059340 483939255 /nfs/dbraw/zinc/93/92/55/483939255.db2.gz RFJUVBNAIDICGU-CYBMUJFWSA-N 0 3 358.464 -0.188 20 0 FBADHN CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000571059341 483938889 /nfs/dbraw/zinc/93/88/89/483938889.db2.gz RFJUVBNAIDICGU-ZDUSSCGKSA-N 0 3 358.464 -0.188 20 0 FBADHN CC(C)Oc1ncccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571061633 483938944 /nfs/dbraw/zinc/93/89/44/483938944.db2.gz AWHJBXGNHYPPGV-NEPJUHHUSA-N 0 3 361.402 -0.422 20 0 FBADHN CC(C)Oc1ncccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571061634 483939443 /nfs/dbraw/zinc/93/94/43/483939443.db2.gz AWHJBXGNHYPPGV-NWDGAFQWSA-N 0 3 361.402 -0.422 20 0 FBADHN CC(C)Oc1ncccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571061635 483938928 /nfs/dbraw/zinc/93/89/28/483938928.db2.gz AWHJBXGNHYPPGV-RYUDHWBXSA-N 0 3 361.402 -0.422 20 0 FBADHN CC(C)Oc1ncccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571061636 483939154 /nfs/dbraw/zinc/93/91/54/483939154.db2.gz AWHJBXGNHYPPGV-VXGBXAGGSA-N 0 3 361.402 -0.422 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4cnccc4c3)CCN2C1=O ZINC000571062156 483939354 /nfs/dbraw/zinc/93/93/54/483939354.db2.gz OGSLOBJTJGZFAG-CABCVRRESA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4cnccc4c3)CCN2C1=O ZINC000571062157 483938501 /nfs/dbraw/zinc/93/85/01/483938501.db2.gz OGSLOBJTJGZFAG-GJZGRUSLSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4cnccc4c3)CCN2C1=O ZINC000571062158 483939169 /nfs/dbraw/zinc/93/91/69/483939169.db2.gz OGSLOBJTJGZFAG-HUUCEWRRSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4cnccc4c3)CCN2C1=O ZINC000571062159 483938408 /nfs/dbraw/zinc/93/84/08/483938408.db2.gz OGSLOBJTJGZFAG-LSDHHAIUSA-N 0 3 353.382 -0.056 20 0 FBADHN CCOc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)ccc1OC ZINC000571062910 483938648 /nfs/dbraw/zinc/93/86/48/483938648.db2.gz MLVBUPIEDYTBHX-AWEZNQCLSA-N 0 3 364.446 -0.189 20 0 FBADHN CCOc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)ccc1OC ZINC000571062911 483938999 /nfs/dbraw/zinc/93/89/99/483938999.db2.gz MLVBUPIEDYTBHX-CQSZACIVSA-N 0 3 364.446 -0.189 20 0 FBADHN Cn1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)n1 ZINC000571078473 484191212 /nfs/dbraw/zinc/19/12/12/484191212.db2.gz QICOGKPCMFAPPI-UHFFFAOYSA-N 0 3 357.480 -0.505 20 0 FBADHN CN1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)[C@H](CN)C1 ZINC000571080219 484192021 /nfs/dbraw/zinc/19/20/21/484192021.db2.gz UAHQZOSTUVVTPB-CABCVRRESA-N 0 3 374.441 -0.088 20 0 FBADHN CN1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)[C@@H](CN)C1 ZINC000571080223 484191685 /nfs/dbraw/zinc/19/16/85/484191685.db2.gz UAHQZOSTUVVTPB-GJZGRUSLSA-N 0 3 374.441 -0.088 20 0 FBADHN CN1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)[C@H](CN)C1 ZINC000571080224 484191040 /nfs/dbraw/zinc/19/10/40/484191040.db2.gz UAHQZOSTUVVTPB-HUUCEWRRSA-N 0 3 374.441 -0.088 20 0 FBADHN CN1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)[C@@H](CN)C1 ZINC000571080225 484190895 /nfs/dbraw/zinc/19/08/95/484190895.db2.gz UAHQZOSTUVVTPB-LSDHHAIUSA-N 0 3 374.441 -0.088 20 0 FBADHN [NH3+]CC1(O)CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000571080681 484190862 /nfs/dbraw/zinc/19/08/62/484190862.db2.gz BKRGEYDBYXKZQA-UHFFFAOYSA-N 0 3 359.423 -0.194 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NCCN1C(=O)CCC1=O ZINC000571080776 484191952 /nfs/dbraw/zinc/19/19/52/484191952.db2.gz BOPIGQPGUMMIQX-UHFFFAOYSA-N 0 3 363.418 -0.030 20 0 FBADHN CN(C(=O)[C@H]1CCCCN1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000571088217 484191393 /nfs/dbraw/zinc/19/13/93/484191393.db2.gz DAQVECODCBBKRA-QGZVFWFLSA-N 0 3 365.522 -0.175 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ncnn1-c1ccccc1 ZINC000571090108 484193160 /nfs/dbraw/zinc/19/31/60/484193160.db2.gz GGKTXXINBYBQMS-UHFFFAOYSA-N 0 3 374.445 -0.080 20 0 FBADHN O=C(CNC(=O)[C@H]1CCc2nnnn2CC1)NCCN1CCCCCC1 ZINC000571095124 484191003 /nfs/dbraw/zinc/19/10/03/484191003.db2.gz 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ZINC000571146598 484195712 /nfs/dbraw/zinc/19/57/12/484195712.db2.gz JLGOUMNIXWKXPR-UHFFFAOYSA-N 0 3 364.450 -0.196 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000571169257 484198161 /nfs/dbraw/zinc/19/81/61/484198161.db2.gz HLIDCWVWERNKRX-IYBDPMFKSA-N 0 3 365.522 -0.128 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC(C)(CO)CO)ccc1OCCN(C)C ZINC000571171225 484200124 /nfs/dbraw/zinc/20/01/24/484200124.db2.gz GYXXRGYIWAVDSI-UHFFFAOYSA-N 0 3 353.419 -0.267 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)NCCN2CCCC2=O)C[C@H]1c1ccccc1F ZINC000571172388 484199690 /nfs/dbraw/zinc/19/96/90/484199690.db2.gz CGSPGVLEHDGHKY-DZGCQCFKSA-N 0 3 362.405 -0.183 20 0 FBADHN O=C(CNC(=O)N1C[C@@H]2COC[C@H](C1)O2)NCCN1CCCCCC1 ZINC000571173174 484199411 /nfs/dbraw/zinc/19/94/11/484199411.db2.gz OTRKNLUOZBGPJJ-GASCZTMLSA-N 0 3 354.451 -0.212 20 0 FBADHN CN(C)CCn1ccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)n1 ZINC000571177242 484197471 /nfs/dbraw/zinc/19/74/71/484197471.db2.gz WZEUUAYSWHBLNN-UHFFFAOYSA-N 0 3 358.402 -0.088 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCc2ccc3c(c2)OCCO3)n1 ZINC000571184827 484200731 /nfs/dbraw/zinc/20/07/31/484200731.db2.gz HBWVGPIKYOGAEU-UHFFFAOYSA-N 0 3 374.445 -0.212 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000571190747 484199542 /nfs/dbraw/zinc/19/95/42/484199542.db2.gz XWFQIEULPMCGBG-KBPBESRZSA-N 0 3 373.494 -0.418 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)CC1 ZINC000571190748 484199434 /nfs/dbraw/zinc/19/94/34/484199434.db2.gz XWFQIEULPMCGBG-KGLIPLIRSA-N 0 3 373.494 -0.418 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000571190749 484199971 /nfs/dbraw/zinc/19/99/71/484199971.db2.gz XWFQIEULPMCGBG-UONOGXRCSA-N 0 3 373.494 -0.418 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000571190750 484199380 /nfs/dbraw/zinc/19/93/80/484199380.db2.gz XWFQIEULPMCGBG-ZIAGYGMSSA-N 0 3 373.494 -0.418 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000571207346 484201457 /nfs/dbraw/zinc/20/14/57/484201457.db2.gz YNYJGCSXAPTPRH-HNNXBMFYSA-N 0 3 369.491 -0.065 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000571207350 484200602 /nfs/dbraw/zinc/20/06/02/484200602.db2.gz YNYJGCSXAPTPRH-OAHLLOKOSA-N 0 3 369.491 -0.065 20 0 FBADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000571223320 484204047 /nfs/dbraw/zinc/20/40/47/484204047.db2.gz CEUNQRSADWOMSP-KBPBESRZSA-N 0 3 355.460 -0.285 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CCN2C1=O ZINC000571226080 484203552 /nfs/dbraw/zinc/20/35/52/484203552.db2.gz DYJJOOFFLDXONB-KBPBESRZSA-N 0 3 371.397 -0.868 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CCN2C1=O ZINC000571226082 484203579 /nfs/dbraw/zinc/20/35/79/484203579.db2.gz DYJJOOFFLDXONB-KGLIPLIRSA-N 0 3 371.397 -0.868 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CCN2C1=O ZINC000571226083 484204565 /nfs/dbraw/zinc/20/45/65/484204565.db2.gz DYJJOOFFLDXONB-UONOGXRCSA-N 0 3 371.397 -0.868 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CCN2C1=O ZINC000571226084 484203709 /nfs/dbraw/zinc/20/37/09/484203709.db2.gz DYJJOOFFLDXONB-ZIAGYGMSSA-N 0 3 371.397 -0.868 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCC(C(F)F)CC3)CCN2C1=O ZINC000571226267 484204627 /nfs/dbraw/zinc/20/46/27/484204627.db2.gz ICNLCCPNUFQWJI-HCWSGVFWSA-N 0 3 358.389 -0.303 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCC(C(F)F)CC3)CCN2C1=O ZINC000571226268 484204374 /nfs/dbraw/zinc/20/43/74/484204374.db2.gz ICNLCCPNUFQWJI-KIDURHIOSA-N 0 3 358.389 -0.303 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CCC(C(F)F)CC3)CCN2C1=O ZINC000571226269 484204240 /nfs/dbraw/zinc/20/42/40/484204240.db2.gz ICNLCCPNUFQWJI-MMVSWEMESA-N 0 3 358.389 -0.303 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NC3CCC(C(F)F)CC3)CCN2C1=O ZINC000571226270 484204130 /nfs/dbraw/zinc/20/41/30/484204130.db2.gz ICNLCCPNUFQWJI-QQFIATSDSA-N 0 3 358.389 -0.303 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000571228964 484204518 /nfs/dbraw/zinc/20/45/18/484204518.db2.gz LRXBGGOMTCEGMM-UHFFFAOYSA-N 0 3 355.483 -0.887 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000571229657 484205182 /nfs/dbraw/zinc/20/51/82/484205182.db2.gz HPYCALLLBRFVTA-BFQNTYOBSA-N 0 3 356.492 -0.429 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000571229658 484206467 /nfs/dbraw/zinc/20/64/67/484206467.db2.gz HPYCALLLBRFVTA-HSMVNMDESA-N 0 3 356.492 -0.429 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000571229659 484206034 /nfs/dbraw/zinc/20/60/34/484206034.db2.gz HPYCALLLBRFVTA-WQGACYEGSA-N 0 3 356.492 -0.429 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000571229661 484205649 /nfs/dbraw/zinc/20/56/49/484205649.db2.gz HPYCALLLBRFVTA-XHBSWPGZSA-N 0 3 356.492 -0.429 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000571243923 484205572 /nfs/dbraw/zinc/20/55/72/484205572.db2.gz NKXHUPOWHFONBM-UHFFFAOYSA-N 0 3 363.418 -0.667 20 0 FBADHN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000571244765 484207984 /nfs/dbraw/zinc/20/79/84/484207984.db2.gz WWHLJZPPRMUJLD-HNNXBMFYSA-N 0 3 368.478 -0.317 20 0 FBADHN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000571244766 484208151 /nfs/dbraw/zinc/20/81/51/484208151.db2.gz WWHLJZPPRMUJLD-OAHLLOKOSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H](C)N1CCO ZINC000571262338 484207385 /nfs/dbraw/zinc/20/73/85/484207385.db2.gz KKPZBYLLUWDTPI-QXSJWSMHSA-N 0 3 352.479 -0.405 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCSCC2)CC1 ZINC000571262387 484208167 /nfs/dbraw/zinc/20/81/67/484208167.db2.gz VSOMKUIBEBPEOI-AWEZNQCLSA-N 0 3 368.503 -0.283 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCSCC2)CC1 ZINC000571262388 484207774 /nfs/dbraw/zinc/20/77/74/484207774.db2.gz VSOMKUIBEBPEOI-CQSZACIVSA-N 0 3 368.503 -0.283 20 0 FBADHN C[C@@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)NCCN1CCCCC1 ZINC000571267076 484206989 /nfs/dbraw/zinc/20/69/89/484206989.db2.gz SYRJUHXSXCYAGZ-OAHLLOKOSA-N 0 3 368.478 -0.268 20 0 FBADHN CN(CCNC(=O)NCC(=O)N1CCNCC1)Cc1ccc(F)cc1 ZINC000571268426 484206948 /nfs/dbraw/zinc/20/69/48/484206948.db2.gz JECMBYRPOPCSFQ-UHFFFAOYSA-N 0 3 351.426 -0.012 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)c(F)c1 ZINC000571269258 484208158 /nfs/dbraw/zinc/20/81/58/484208158.db2.gz WFZRITTUHXCSBA-DOMZBBRYSA-N 0 3 370.400 -0.130 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)c(F)c1 ZINC000571269259 484207971 /nfs/dbraw/zinc/20/79/71/484207971.db2.gz WFZRITTUHXCSBA-IUODEOHRSA-N 0 3 370.400 -0.130 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(F)c(F)c1 ZINC000571269260 484209635 /nfs/dbraw/zinc/20/96/35/484209635.db2.gz WFZRITTUHXCSBA-SWLSCSKDSA-N 0 3 370.400 -0.130 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(F)c(F)c1 ZINC000571269261 484209754 /nfs/dbraw/zinc/20/97/54/484209754.db2.gz WFZRITTUHXCSBA-WFASDCNBSA-N 0 3 370.400 -0.130 20 0 FBADHN O=C(CCn1cnc2ccccc2c1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000571282487 484210517 /nfs/dbraw/zinc/21/05/17/484210517.db2.gz OGTDAEBCDNBURG-UHFFFAOYSA-N 0 3 368.401 -0.047 20 0 FBADHN Cn1c2ccc(NC(=O)CCC(=O)N3CCNC(C)(C)C3)nc2n(C)c1=O ZINC000571283156 484482551 /nfs/dbraw/zinc/48/25/51/484482551.db2.gz GAUBZXHWKSSYCH-UHFFFAOYSA-N 0 3 374.445 0.201 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000571289747 484217297 /nfs/dbraw/zinc/21/72/97/484217297.db2.gz GYTCJXZULRQCIX-KBXCAEBGSA-N 0 3 367.446 -0.279 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000571289748 484217502 /nfs/dbraw/zinc/21/75/02/484217502.db2.gz GYTCJXZULRQCIX-KDOFPFPSSA-N 0 3 367.446 -0.279 20 0 FBADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000571289749 484217245 /nfs/dbraw/zinc/21/72/45/484217245.db2.gz GYTCJXZULRQCIX-KSSFIOAISA-N 0 3 367.446 -0.279 20 0 FBADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000571289750 484218223 /nfs/dbraw/zinc/21/82/23/484218223.db2.gz GYTCJXZULRQCIX-RDTXWAMCSA-N 0 3 367.446 -0.279 20 0 FBADHN CN(C(=O)NCC(=O)NCCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000571291478 484218616 /nfs/dbraw/zinc/21/86/16/484218616.db2.gz YGVCHUUQSWOXKM-AWEZNQCLSA-N 0 3 374.507 -0.193 20 0 FBADHN CN(C(=O)NCC(=O)NCCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000571291479 484218463 /nfs/dbraw/zinc/21/84/63/484218463.db2.gz YGVCHUUQSWOXKM-CQSZACIVSA-N 0 3 374.507 -0.193 20 0 FBADHN CN(C)[C@H]1CN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1O ZINC000571295465 484219730 /nfs/dbraw/zinc/21/97/30/484219730.db2.gz YSMGMBCOYUFHIW-KBPBESRZSA-N 0 3 356.448 -0.731 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCOCC1 ZINC000571299711 484223958 /nfs/dbraw/zinc/22/39/58/484223958.db2.gz FAPYEFIQJQQMQC-IHRRRGAJSA-N 0 3 352.435 -0.922 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCOCC1 ZINC000571299714 484224326 /nfs/dbraw/zinc/22/43/26/484224326.db2.gz FAPYEFIQJQQMQC-MCIONIFRSA-N 0 3 352.435 -0.922 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCOCC1 ZINC000571299717 484224142 /nfs/dbraw/zinc/22/41/42/484224142.db2.gz FAPYEFIQJQQMQC-MJBXVCDLSA-N 0 3 352.435 -0.922 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCOCC1 ZINC000571299719 484223609 /nfs/dbraw/zinc/22/36/09/484223609.db2.gz FAPYEFIQJQQMQC-RDBSUJKOSA-N 0 3 352.435 -0.922 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCCCn2ccnc2)CC1(C)C ZINC000571305250 484225689 /nfs/dbraw/zinc/22/56/89/484225689.db2.gz JFWARSPHSOACGX-UHFFFAOYSA-N 0 3 364.494 -0.078 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000571308373 484224986 /nfs/dbraw/zinc/22/49/86/484224986.db2.gz JQYCKCDTRDHPPM-CHWSQXEVSA-N 0 3 362.496 -0.627 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000571308374 484225465 /nfs/dbraw/zinc/22/54/65/484225465.db2.gz JQYCKCDTRDHPPM-QWHCGFSZSA-N 0 3 362.496 -0.627 20 0 FBADHN O=S(=O)(N1CCOCC1)N1CCC(NC[C@@H](O)C(F)(F)F)CC1 ZINC000571315226 484227102 /nfs/dbraw/zinc/22/71/02/484227102.db2.gz DBTKXZLBPXEPBN-LLVKDONJSA-N 0 3 361.386 -0.459 20 0 FBADHN O=S(=O)(N1CCOCC1)N1CCC(NC[C@H](O)C(F)(F)F)CC1 ZINC000571315228 484227525 /nfs/dbraw/zinc/22/75/25/484227525.db2.gz DBTKXZLBPXEPBN-NSHDSACASA-N 0 3 361.386 -0.459 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000571316671 484228884 /nfs/dbraw/zinc/22/88/84/484228884.db2.gz ALJMIMIFHSYINI-OAHLLOKOSA-N 0 3 350.419 -0.244 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@]3(CCSC3)C2)n1 ZINC000571320674 484228454 /nfs/dbraw/zinc/22/84/54/484228454.db2.gz NJLNPFKWJJCWTH-HNNXBMFYSA-N 0 3 354.480 -0.348 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@]3(CCSC3)C2)n1 ZINC000571320676 484229424 /nfs/dbraw/zinc/22/94/24/484229424.db2.gz NJLNPFKWJJCWTH-OAHLLOKOSA-N 0 3 354.480 -0.348 20 0 FBADHN CCOC(=O)C1CCN(C(=O)CN(C)CCC(=O)N2CCNCC2)CC1 ZINC000571325695 484230254 /nfs/dbraw/zinc/23/02/54/484230254.db2.gz 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Cc1ccc(C(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(O)c1 ZINC000571343703 484236181 /nfs/dbraw/zinc/23/61/81/484236181.db2.gz IHXJLKNQFNYIQV-JSGCOSHPSA-N 0 3 360.414 -0.409 20 0 FBADHN Cc1ccc(C(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(O)c1 ZINC000571343704 484236746 /nfs/dbraw/zinc/23/67/46/484236746.db2.gz IHXJLKNQFNYIQV-OCCSQVGLSA-N 0 3 360.414 -0.409 20 0 FBADHN Cc1ccc(C(=O)NCCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(O)c1 ZINC000571343705 484236565 /nfs/dbraw/zinc/23/65/65/484236565.db2.gz IHXJLKNQFNYIQV-TZMCWYRMSA-N 0 3 360.414 -0.409 20 0 FBADHN Cc1cccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cn21 ZINC000571346079 484236117 /nfs/dbraw/zinc/23/61/17/484236117.db2.gz YBUAYWFCLIQSES-KBPBESRZSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1cccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cn21 ZINC000571346083 484238073 /nfs/dbraw/zinc/23/80/73/484238073.db2.gz YBUAYWFCLIQSES-KGLIPLIRSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1cccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cn21 ZINC000571346085 484238367 /nfs/dbraw/zinc/23/83/67/484238367.db2.gz YBUAYWFCLIQSES-UONOGXRCSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1cccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cn21 ZINC000571346087 484238186 /nfs/dbraw/zinc/23/81/86/484238186.db2.gz YBUAYWFCLIQSES-ZIAGYGMSSA-N 0 3 370.413 -0.971 20 0 FBADHN Cn1cc(-n2cc(C(=O)NC[C@@]3(O)CN4CCC3CC4)ccc2=O)cn1 ZINC000571350794 484239745 /nfs/dbraw/zinc/23/97/45/484239745.db2.gz MQWKYJOBYLLMLG-GOSISDBHSA-N 0 3 357.414 -0.243 20 0 FBADHN Cn1cc(-n2cc(C(=O)NC[C@]3(O)CN4CCC3CC4)ccc2=O)cn1 ZINC000571350795 484238988 /nfs/dbraw/zinc/23/89/88/484238988.db2.gz MQWKYJOBYLLMLG-SFHVURJKSA-N 0 3 357.414 -0.243 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000571353283 484241342 /nfs/dbraw/zinc/24/13/42/484241342.db2.gz SOMUUXIHUGNJLC-GOSISDBHSA-N 0 3 368.478 -0.581 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000571353284 484240680 /nfs/dbraw/zinc/24/06/80/484240680.db2.gz SOMUUXIHUGNJLC-SFHVURJKSA-N 0 3 368.478 -0.581 20 0 FBADHN C[C@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)NCCN(C)C ZINC000571358915 484240636 /nfs/dbraw/zinc/24/06/36/484240636.db2.gz HGRYFQVITYHWEA-JTQLQIEISA-N 0 3 351.432 -0.360 20 0 FBADHN C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)C(=O)NCCN(C)C ZINC000571358919 484240510 /nfs/dbraw/zinc/24/05/10/484240510.db2.gz HGRYFQVITYHWEA-SNVBAGLBSA-N 0 3 351.432 -0.360 20 0 FBADHN CCn1nccc1CN(CCO)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000571365961 484245100 /nfs/dbraw/zinc/24/51/00/484245100.db2.gz SYIDRPQXTYLWFQ-AWEZNQCLSA-N 0 3 363.462 -0.010 20 0 FBADHN CCn1nccc1CN(CCO)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000571365968 484246040 /nfs/dbraw/zinc/24/60/40/484246040.db2.gz SYIDRPQXTYLWFQ-CQSZACIVSA-N 0 3 363.462 -0.010 20 0 FBADHN CO[C@H]1COCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000571377801 484248052 /nfs/dbraw/zinc/24/80/52/484248052.db2.gz BLMCHXANSWLFKK-CVEARBPZSA-N 0 3 368.478 -0.013 20 0 FBADHN CO[C@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000571377802 484248556 /nfs/dbraw/zinc/24/85/56/484248556.db2.gz BLMCHXANSWLFKK-HOTGVXAUSA-N 0 3 368.478 -0.013 20 0 FBADHN CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000571377803 484248567 /nfs/dbraw/zinc/24/85/67/484248567.db2.gz BLMCHXANSWLFKK-HZPDHXFCSA-N 0 3 368.478 -0.013 20 0 FBADHN CO[C@@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000571377804 484248030 /nfs/dbraw/zinc/24/80/30/484248030.db2.gz BLMCHXANSWLFKK-JKSUJKDBSA-N 0 3 368.478 -0.013 20 0 FBADHN CCN(CCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C1CC1 ZINC000571386916 484247965 /nfs/dbraw/zinc/24/79/65/484247965.db2.gz BRGMUZKKIVCUPA-UHFFFAOYSA-N 0 3 359.496 -0.901 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCn3cnnc3C2)CCCO1 ZINC000571390481 484249106 /nfs/dbraw/zinc/24/91/06/484249106.db2.gz HXXCKAOIIWTUGC-CYBMUJFWSA-N 0 3 350.423 -0.763 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCn3cnnc3C2)CCCO1 ZINC000571390483 484248925 /nfs/dbraw/zinc/24/89/25/484248925.db2.gz HXXCKAOIIWTUGC-ZDUSSCGKSA-N 0 3 350.423 -0.763 20 0 FBADHN NC(=O)CN1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1=O ZINC000571403662 484250043 /nfs/dbraw/zinc/25/00/43/484250043.db2.gz OESVNUJGEMSFLN-UHFFFAOYSA-N 0 3 352.435 -0.822 20 0 FBADHN Cn1c2ccc(S(=O)(=O)N3CCN(C)C[C@H]3CN)cc2n(C)c1=O ZINC000571407912 484251265 /nfs/dbraw/zinc/25/12/65/484251265.db2.gz MZCQGVZRAUFOEP-LLVKDONJSA-N 0 3 353.448 -0.860 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000571408145 484251082 /nfs/dbraw/zinc/25/10/82/484251082.db2.gz RUFNBOVGLYJUOP-INIZCTEOSA-N 0 3 362.478 -0.478 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000571408146 484251608 /nfs/dbraw/zinc/25/16/08/484251608.db2.gz RUFNBOVGLYJUOP-MRXNPFEDSA-N 0 3 362.478 -0.478 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000571417706 484251451 /nfs/dbraw/zinc/25/14/51/484251451.db2.gz DVIOGICPMUIYRT-DZGCQCFKSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000571417714 484251151 /nfs/dbraw/zinc/25/11/51/484251151.db2.gz DVIOGICPMUIYRT-HIFRSBDPSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000571417715 484251104 /nfs/dbraw/zinc/25/11/04/484251104.db2.gz DVIOGICPMUIYRT-UKRRQHHQSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000571417717 484250603 /nfs/dbraw/zinc/25/06/03/484250603.db2.gz DVIOGICPMUIYRT-ZFWWWQNUSA-N 0 3 360.414 -0.528 20 0 FBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000571417738 484251568 /nfs/dbraw/zinc/25/15/68/484251568.db2.gz DYOXXQGDUMBRMM-CYBMUJFWSA-N 0 3 362.477 -0.902 20 0 FBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000571417741 484251673 /nfs/dbraw/zinc/25/16/73/484251673.db2.gz DYOXXQGDUMBRMM-ZDUSSCGKSA-N 0 3 362.477 -0.902 20 0 FBADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)S(=O)(=O)c1ccccc1 ZINC000571418908 484251125 /nfs/dbraw/zinc/25/11/25/484251125.db2.gz QDIKTPBVCPJPIR-GXTWGEPZSA-N 0 3 366.443 -0.923 20 0 FBADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)S(=O)(=O)c1ccccc1 ZINC000571418910 484251763 /nfs/dbraw/zinc/25/17/63/484251763.db2.gz QDIKTPBVCPJPIR-JSGCOSHPSA-N 0 3 366.443 -0.923 20 0 FBADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)S(=O)(=O)c1ccccc1 ZINC000571418911 484251298 /nfs/dbraw/zinc/25/12/98/484251298.db2.gz QDIKTPBVCPJPIR-OCCSQVGLSA-N 0 3 366.443 -0.923 20 0 FBADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)S(=O)(=O)c1ccccc1 ZINC000571418913 484253659 /nfs/dbraw/zinc/25/36/59/484253659.db2.gz QDIKTPBVCPJPIR-TZMCWYRMSA-N 0 3 366.443 -0.923 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000571419093 484252453 /nfs/dbraw/zinc/25/24/53/484252453.db2.gz SFIMIEWHTKELMV-CABCVRRESA-N 0 3 350.444 -0.467 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000571419170 484253504 /nfs/dbraw/zinc/25/35/04/484253504.db2.gz SFIMIEWHTKELMV-GJZGRUSLSA-N 0 3 350.444 -0.467 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000571419171 484252942 /nfs/dbraw/zinc/25/29/42/484252942.db2.gz SFIMIEWHTKELMV-HUUCEWRRSA-N 0 3 350.444 -0.467 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000571419172 484253681 /nfs/dbraw/zinc/25/36/81/484253681.db2.gz SFIMIEWHTKELMV-LSDHHAIUSA-N 0 3 350.444 -0.467 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000571420686 484253168 /nfs/dbraw/zinc/25/31/68/484253168.db2.gz XFKXBLNSFHNHHZ-GDBMZVCRSA-N 0 3 367.494 -0.251 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000571420687 484253372 /nfs/dbraw/zinc/25/33/72/484253372.db2.gz XFKXBLNSFHNHHZ-GOEBONIOSA-N 0 3 367.494 -0.251 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000571420688 484253704 /nfs/dbraw/zinc/25/37/04/484253704.db2.gz XFKXBLNSFHNHHZ-HOCLYGCPSA-N 0 3 367.494 -0.251 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000571420689 484252479 /nfs/dbraw/zinc/25/24/79/484252479.db2.gz XFKXBLNSFHNHHZ-ZBFHGGJFSA-N 0 3 367.494 -0.251 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2cccc3cccnc32)[C@@H](CN)C1 ZINC000571422615 484252370 /nfs/dbraw/zinc/25/23/70/484252370.db2.gz JUVXPTZQXXJMAE-INIZCTEOSA-N 0 3 355.442 -0.005 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2cccc3cccnc32)[C@H](CN)C1 ZINC000571422619 484252984 /nfs/dbraw/zinc/25/29/84/484252984.db2.gz JUVXPTZQXXJMAE-MRXNPFEDSA-N 0 3 355.442 -0.005 20 0 FBADHN C[C@H]1[C@@H](C)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000571423123 484252433 /nfs/dbraw/zinc/25/24/33/484252433.db2.gz XBUJHPSPFLEIEY-BRWVUGGUSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)[C@H]1C ZINC000571423124 484253430 /nfs/dbraw/zinc/25/34/30/484253430.db2.gz XBUJHPSPFLEIEY-IKGGRYGDSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000571423125 484252400 /nfs/dbraw/zinc/25/24/00/484252400.db2.gz XBUJHPSPFLEIEY-IXDOHACOSA-N 0 3 366.506 -0.034 20 0 FBADHN C[C@@H]1[C@H](C)CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H]1C ZINC000571423126 484252592 /nfs/dbraw/zinc/25/25/92/484252592.db2.gz XBUJHPSPFLEIEY-ZACQAIPSSA-N 0 3 366.506 -0.034 20 0 FBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000571424151 484253247 /nfs/dbraw/zinc/25/32/47/484253247.db2.gz HBGSHMJZWWBMNF-UHFFFAOYSA-N 0 3 367.494 -0.696 20 0 FBADHN COC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000571425242 484253093 /nfs/dbraw/zinc/25/30/93/484253093.db2.gz XJEDKOFDLTVVQD-CABCVRRESA-N 0 3 368.478 -0.602 20 0 FBADHN COC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000571425243 484253074 /nfs/dbraw/zinc/25/30/74/484253074.db2.gz XJEDKOFDLTVVQD-GJZGRUSLSA-N 0 3 368.478 -0.602 20 0 FBADHN O=c1ccc(Br)cn1CCNC[C@@H](O)CN1CCOCC1 ZINC000571432314 484253562 /nfs/dbraw/zinc/25/35/62/484253562.db2.gz BJRFFEBFVRBWOY-CYBMUJFWSA-N 0 3 360.252 -0.107 20 0 FBADHN O=c1ccc(Br)cn1CCNC[C@H](O)CN1CCOCC1 ZINC000571432315 484253357 /nfs/dbraw/zinc/25/33/57/484253357.db2.gz BJRFFEBFVRBWOY-ZDUSSCGKSA-N 0 3 360.252 -0.107 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccnn1CCN(C)C ZINC000571434294 484253000 /nfs/dbraw/zinc/25/30/00/484253000.db2.gz NMKOFZPOSAVMPL-LLVKDONJSA-N 0 3 369.451 -0.516 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccnn1CCN(C)C ZINC000571434295 484253443 /nfs/dbraw/zinc/25/34/43/484253443.db2.gz NMKOFZPOSAVMPL-NSHDSACASA-N 0 3 369.451 -0.516 20 0 FBADHN CCOC(=O)C[C@H](O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000571434554 484253624 /nfs/dbraw/zinc/25/36/24/484253624.db2.gz XAXSREIUPBJHKJ-CVEARBPZSA-N 0 3 350.415 -0.164 20 0 FBADHN CCOC(=O)C[C@@H](O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000571434555 484252963 /nfs/dbraw/zinc/25/29/63/484252963.db2.gz XAXSREIUPBJHKJ-HZPDHXFCSA-N 0 3 350.415 -0.164 20 0 FBADHN O=C(CCn1nnc2ccccc2c1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000571439661 484255390 /nfs/dbraw/zinc/25/53/90/484255390.db2.gz JHSARTUQWGFQGD-UHFFFAOYSA-N 0 3 369.389 -0.652 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000571447138 484254436 /nfs/dbraw/zinc/25/44/36/484254436.db2.gz SMNJIURFGYEUCL-CQSZACIVSA-N 0 3 374.507 -0.673 20 0 FBADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc2c(c1)NC(=O)CNC2=O ZINC000571460224 484256203 /nfs/dbraw/zinc/25/62/03/484256203.db2.gz GHMVRRSDWGRLJI-GOSISDBHSA-N 0 3 358.398 -0.445 20 0 FBADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc2c(c1)NC(=O)CNC2=O ZINC000571460225 484256730 /nfs/dbraw/zinc/25/67/30/484256730.db2.gz GHMVRRSDWGRLJI-SFHVURJKSA-N 0 3 358.398 -0.445 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000571467699 484258356 /nfs/dbraw/zinc/25/83/56/484258356.db2.gz GPNSFEUWVAVKAN-AWEZNQCLSA-N 0 3 370.494 -0.166 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000571467704 484257490 /nfs/dbraw/zinc/25/74/90/484257490.db2.gz GPNSFEUWVAVKAN-CQSZACIVSA-N 0 3 370.494 -0.166 20 0 FBADHN Cc1cc(CN2CCN(C(=O)C(=O)NCCOCCN(C)C)CC2)no1 ZINC000571475253 484257790 /nfs/dbraw/zinc/25/77/90/484257790.db2.gz MZMXNAKOHSJVHL-UHFFFAOYSA-N 0 3 367.450 -0.678 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000571484399 484259307 /nfs/dbraw/zinc/25/93/07/484259307.db2.gz CIMQKDYVDOIAGC-CHWSQXEVSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000571484400 484259448 /nfs/dbraw/zinc/25/94/48/484259448.db2.gz CIMQKDYVDOIAGC-OLZOCXBDSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000571484401 484259955 /nfs/dbraw/zinc/25/99/55/484259955.db2.gz CIMQKDYVDOIAGC-QWHCGFSZSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000571484402 484260137 /nfs/dbraw/zinc/26/01/37/484260137.db2.gz CIMQKDYVDOIAGC-STQMWFEESA-N 0 3 353.467 -0.247 20 0 FBADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000571488925 484259685 /nfs/dbraw/zinc/25/96/85/484259685.db2.gz RAGZKGNNFSICJL-INIZCTEOSA-N 0 3 355.460 -0.235 20 0 FBADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000571488930 484259760 /nfs/dbraw/zinc/25/97/60/484259760.db2.gz RAGZKGNNFSICJL-MRXNPFEDSA-N 0 3 355.460 -0.235 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000571501004 484263999 /nfs/dbraw/zinc/26/39/99/484263999.db2.gz ZUKZKVYDTFHVPC-HNNXBMFYSA-N 0 3 364.494 -0.312 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000571501005 484264437 /nfs/dbraw/zinc/26/44/37/484264437.db2.gz ZUKZKVYDTFHVPC-OAHLLOKOSA-N 0 3 364.494 -0.312 20 0 FBADHN CCOC(=O)[C@H]1CN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC12COC2 ZINC000571508815 484267101 /nfs/dbraw/zinc/26/71/01/484267101.db2.gz FQAASPFLQFRPEQ-CHWSQXEVSA-N 0 3 353.419 -0.813 20 0 FBADHN CCOC(=O)[C@H]1CN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC12COC2 ZINC000571508816 484266980 /nfs/dbraw/zinc/26/69/80/484266980.db2.gz FQAASPFLQFRPEQ-OLZOCXBDSA-N 0 3 353.419 -0.813 20 0 FBADHN CCOC(=O)[C@@H]1CN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC12COC2 ZINC000571508817 484267253 /nfs/dbraw/zinc/26/72/53/484267253.db2.gz FQAASPFLQFRPEQ-QWHCGFSZSA-N 0 3 353.419 -0.813 20 0 FBADHN CCOC(=O)[C@@H]1CN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC12COC2 ZINC000571508818 484266220 /nfs/dbraw/zinc/26/62/20/484266220.db2.gz FQAASPFLQFRPEQ-STQMWFEESA-N 0 3 353.419 -0.813 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CN3C(=O)c4ccccc4C3=O)C[C@H]2N)cn1 ZINC000571514865 484272779 /nfs/dbraw/zinc/27/27/79/484272779.db2.gz RKIKURVVRRMFQG-LSDHHAIUSA-N 0 3 353.382 -0.031 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc3c1CCNC3)c(=O)n2C ZINC000571515037 484272482 /nfs/dbraw/zinc/27/24/82/484272482.db2.gz LFRUSHNGBWLGSZ-UHFFFAOYSA-N 0 3 368.397 -0.282 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cn3cccnc3n2)CC1=O ZINC000571517673 484273820 /nfs/dbraw/zinc/27/38/20/484273820.db2.gz UVUPQHNVBMQXOF-CYBMUJFWSA-N 0 3 360.418 -0.362 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cn3cccnc3n2)CC1=O ZINC000571517674 484273964 /nfs/dbraw/zinc/27/39/64/484273964.db2.gz UVUPQHNVBMQXOF-ZDUSSCGKSA-N 0 3 360.418 -0.362 20 0 FBADHN COC(=O)c1cn([C@@H]2CCCN(CCC(=O)N3CCNCC3)C2)nn1 ZINC000571521954 484273714 /nfs/dbraw/zinc/27/37/14/484273714.db2.gz JDFMITNUNWSGEQ-CYBMUJFWSA-N 0 3 350.423 -0.477 20 0 FBADHN COC(=O)c1cn([C@H]2CCCN(CCC(=O)N3CCNCC3)C2)nn1 ZINC000571521955 484274113 /nfs/dbraw/zinc/27/41/13/484274113.db2.gz JDFMITNUNWSGEQ-ZDUSSCGKSA-N 0 3 350.423 -0.477 20 0 FBADHN O=C(CN1CC(=O)[N-]C1=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000571523367 484274894 /nfs/dbraw/zinc/27/48/94/484274894.db2.gz XUWLISLGHWGDSV-UHFFFAOYSA-N 0 3 361.402 -0.539 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000571530016 484275761 /nfs/dbraw/zinc/27/57/61/484275761.db2.gz HDQLSPAHZXLSTL-LLVKDONJSA-N 0 3 369.451 -0.958 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000571530017 484274867 /nfs/dbraw/zinc/27/48/67/484274867.db2.gz HDQLSPAHZXLSTL-NSHDSACASA-N 0 3 369.451 -0.958 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(-n4cccn4)c3)CCN2C1=O ZINC000571538784 484275081 /nfs/dbraw/zinc/27/50/81/484275081.db2.gz STTCZZJBWZYUEC-CABCVRRESA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(-n4cccn4)c3)CCN2C1=O ZINC000571538790 484275422 /nfs/dbraw/zinc/27/54/22/484275422.db2.gz STTCZZJBWZYUEC-GJZGRUSLSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(-n4cccn4)c3)CCN2C1=O ZINC000571538793 484275145 /nfs/dbraw/zinc/27/51/45/484275145.db2.gz STTCZZJBWZYUEC-HUUCEWRRSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(-n4cccn4)c3)CCN2C1=O ZINC000571538795 484275295 /nfs/dbraw/zinc/27/52/95/484275295.db2.gz STTCZZJBWZYUEC-LSDHHAIUSA-N 0 3 368.397 -0.419 20 0 FBADHN CN1CCN(C(=O)NCCNC(=O)c2c(F)cccc2F)[C@H](CN)C1 ZINC000571539053 484275544 /nfs/dbraw/zinc/27/55/44/484275544.db2.gz LNNJDMYYOPMXAM-LLVKDONJSA-N 0 3 355.389 -0.021 20 0 FBADHN CN1CCN(C(=O)NCCNC(=O)c2c(F)cccc2F)[C@@H](CN)C1 ZINC000571539063 484276132 /nfs/dbraw/zinc/27/61/32/484276132.db2.gz LNNJDMYYOPMXAM-NSHDSACASA-N 0 3 355.389 -0.021 20 0 FBADHN CCSc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)ccn1 ZINC000571539914 484275191 /nfs/dbraw/zinc/27/51/91/484275191.db2.gz GIHXUGQFVBNOSL-CYBMUJFWSA-N 0 3 351.476 -0.089 20 0 FBADHN CCSc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)ccn1 ZINC000571539915 484276060 /nfs/dbraw/zinc/27/60/60/484276060.db2.gz GIHXUGQFVBNOSL-ZDUSSCGKSA-N 0 3 351.476 -0.089 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C[C@H](C)N1 ZINC000571539969 484275629 /nfs/dbraw/zinc/27/56/29/484275629.db2.gz OQFFHRDVDGJMCM-GASCZTMLSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C[C@H](C)N1 ZINC000571539973 484274929 /nfs/dbraw/zinc/27/49/29/484274929.db2.gz OQFFHRDVDGJMCM-GJZGRUSLSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C[C@@H](C)N1 ZINC000571539974 484275390 /nfs/dbraw/zinc/27/53/90/484275390.db2.gz OQFFHRDVDGJMCM-HUUCEWRRSA-N 0 3 352.479 -0.044 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000571541211 484275466 /nfs/dbraw/zinc/27/54/66/484275466.db2.gz YMGYXYQGEUOKCX-UHFFFAOYSA-N 0 3 360.414 -0.810 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC000571547002 484277291 /nfs/dbraw/zinc/27/72/91/484277291.db2.gz BXJKBJLTHJSTCK-KBXCAEBGSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@]1(C)CCCO1 ZINC000571547003 484277522 /nfs/dbraw/zinc/27/75/22/484277522.db2.gz BXJKBJLTHJSTCK-KDOFPFPSSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@]1(C)CCCO1 ZINC000571547004 484277415 /nfs/dbraw/zinc/27/74/15/484277415.db2.gz BXJKBJLTHJSTCK-KSSFIOAISA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC000571547005 484276946 /nfs/dbraw/zinc/27/69/46/484276946.db2.gz BXJKBJLTHJSTCK-RDTXWAMCSA-N 0 3 368.478 -0.269 20 0 FBADHN CN(C)CCN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000571553398 484275136 /nfs/dbraw/zinc/27/51/36/484275136.db2.gz OVVOZZMNAKLLDJ-UHFFFAOYSA-N 0 3 360.505 -0.356 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCOCC2)CC1 ZINC000571553399 484275473 /nfs/dbraw/zinc/27/54/73/484275473.db2.gz PUXGCPSUJAMUHI-CABCVRRESA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCOCC2)CC1 ZINC000571553402 484275875 /nfs/dbraw/zinc/27/58/75/484275875.db2.gz PUXGCPSUJAMUHI-GJZGRUSLSA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCOCC2)CC1 ZINC000571553404 484275174 /nfs/dbraw/zinc/27/51/74/484275174.db2.gz PUXGCPSUJAMUHI-HUUCEWRRSA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCOCC2)CC1 ZINC000571553405 484277446 /nfs/dbraw/zinc/27/74/46/484277446.db2.gz PUXGCPSUJAMUHI-LSDHHAIUSA-N 0 3 366.462 -0.563 20 0 FBADHN CN(C)CCn1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)n1 ZINC000571572280 484103297 /nfs/dbraw/zinc/10/32/97/484103297.db2.gz DQIAVDXBILEDCB-UHFFFAOYSA-N 0 3 351.432 0.362 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571581526 484278331 /nfs/dbraw/zinc/27/83/31/484278331.db2.gz GJDNMCCIHZCDGQ-BXUZGUMPSA-N 0 3 351.428 -0.217 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571581529 484279043 /nfs/dbraw/zinc/27/90/43/484279043.db2.gz GJDNMCCIHZCDGQ-FZMZJTMJSA-N 0 3 351.428 -0.217 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571581531 484278481 /nfs/dbraw/zinc/27/84/81/484278481.db2.gz GJDNMCCIHZCDGQ-RISCZKNCSA-N 0 3 351.428 -0.217 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571581535 484278780 /nfs/dbraw/zinc/27/87/80/484278780.db2.gz GJDNMCCIHZCDGQ-SMDDNHRTSA-N 0 3 351.428 -0.217 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H](c3cccnc3)C3CC3)CCN2C1=O ZINC000571583084 484278388 /nfs/dbraw/zinc/27/83/88/484278388.db2.gz VWIOJVGHIMTAJX-KFWWJZLASA-N 0 3 357.414 -0.581 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H](c3cccnc3)C3CC3)CCN2C1=O ZINC000571583085 484278932 /nfs/dbraw/zinc/27/89/32/484278932.db2.gz VWIOJVGHIMTAJX-RBSFLKMASA-N 0 3 357.414 -0.581 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H](c3cccnc3)C3CC3)CCN2C1=O ZINC000571583086 484278651 /nfs/dbraw/zinc/27/86/51/484278651.db2.gz VWIOJVGHIMTAJX-RRFJBIMHSA-N 0 3 357.414 -0.581 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H](c3cccnc3)C3CC3)CCN2C1=O ZINC000571583087 484278506 /nfs/dbraw/zinc/27/85/06/484278506.db2.gz VWIOJVGHIMTAJX-ZNMIVQPWSA-N 0 3 357.414 -0.581 20 0 FBADHN COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571583119 484279243 /nfs/dbraw/zinc/27/92/43/484279243.db2.gz XXSHWNOBTUVKBE-ARFHVFGLSA-N 0 3 374.441 -0.869 20 0 FBADHN COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571583120 484278460 /nfs/dbraw/zinc/27/84/60/484278460.db2.gz XXSHWNOBTUVKBE-HRCADAONSA-N 0 3 374.441 -0.869 20 0 FBADHN COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571583121 484279137 /nfs/dbraw/zinc/27/91/37/484279137.db2.gz XXSHWNOBTUVKBE-JYJNAYRXSA-N 0 3 374.441 -0.869 20 0 FBADHN COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571583122 484278494 /nfs/dbraw/zinc/27/84/94/484278494.db2.gz XXSHWNOBTUVKBE-XHSDSOJGSA-N 0 3 374.441 -0.869 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000571584827 484279271 /nfs/dbraw/zinc/27/92/71/484279271.db2.gz OXYDDBDCWMAMRD-KBPBESRZSA-N 0 3 352.435 -0.953 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCO2)CC1 ZINC000571584828 484279182 /nfs/dbraw/zinc/27/91/82/484279182.db2.gz OXYDDBDCWMAMRD-KGLIPLIRSA-N 0 3 352.435 -0.953 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000571584829 484278754 /nfs/dbraw/zinc/27/87/54/484278754.db2.gz OXYDDBDCWMAMRD-UONOGXRCSA-N 0 3 352.435 -0.953 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCO2)CC1 ZINC000571584830 484278226 /nfs/dbraw/zinc/27/82/26/484278226.db2.gz OXYDDBDCWMAMRD-ZIAGYGMSSA-N 0 3 352.435 -0.953 20 0 FBADHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000571589054 484280859 /nfs/dbraw/zinc/28/08/59/484280859.db2.gz UNWHVYDVJLDZOJ-CYBMUJFWSA-N 0 3 362.434 -0.735 20 0 FBADHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000571589055 484280744 /nfs/dbraw/zinc/28/07/44/484280744.db2.gz UNWHVYDVJLDZOJ-ZDUSSCGKSA-N 0 3 362.434 -0.735 20 0 FBADHN CCCCN(CCO)C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000571591212 484279971 /nfs/dbraw/zinc/27/99/71/484279971.db2.gz PYWRJYFDEYMPIW-UHFFFAOYSA-N 0 3 370.494 -0.334 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCN1C ZINC000571601139 484280124 /nfs/dbraw/zinc/28/01/24/484280124.db2.gz PRHYSPCJLREQFG-BFHYXJOUSA-N 0 3 374.507 -0.532 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCN1C ZINC000571601140 484279911 /nfs/dbraw/zinc/27/99/11/484279911.db2.gz PRHYSPCJLREQFG-HZSPNIEDSA-N 0 3 374.507 -0.532 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCN1C ZINC000571601141 484279949 /nfs/dbraw/zinc/27/99/49/484279949.db2.gz PRHYSPCJLREQFG-MELADBBJSA-N 0 3 374.507 -0.532 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCN1C ZINC000571601142 484280627 /nfs/dbraw/zinc/28/06/27/484280627.db2.gz PRHYSPCJLREQFG-MGPQQGTHSA-N 0 3 374.507 -0.532 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000571626702 484285636 /nfs/dbraw/zinc/28/56/36/484285636.db2.gz RSVTXNXUTLKYHS-KRWDZBQOSA-N 0 3 359.474 -0.222 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000571626703 484285212 /nfs/dbraw/zinc/28/52/12/484285212.db2.gz RSVTXNXUTLKYHS-QGZVFWFLSA-N 0 3 359.474 -0.222 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](CN)OC)c1 ZINC000571639395 484313566 /nfs/dbraw/zinc/31/35/66/484313566.db2.gz VWRLJRDTQYCTOW-BXKDBHETSA-N 0 3 358.420 -0.988 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](CN)OC)c1 ZINC000571639396 484313960 /nfs/dbraw/zinc/31/39/60/484313960.db2.gz VWRLJRDTQYCTOW-CABZTGNLSA-N 0 3 358.420 -0.988 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](CN)OC)c1 ZINC000571639397 484314100 /nfs/dbraw/zinc/31/41/00/484314100.db2.gz VWRLJRDTQYCTOW-JOYOIKCWSA-N 0 3 358.420 -0.988 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H](CN)OC)c1 ZINC000571639398 484313630 /nfs/dbraw/zinc/31/36/30/484313630.db2.gz VWRLJRDTQYCTOW-SKDRFNHKSA-N 0 3 358.420 -0.988 20 0 FBADHN C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC(=O)N1C ZINC000571650609 483596256 /nfs/dbraw/zinc/59/62/56/483596256.db2.gz XUEHAWWZJRNIQS-HNNXBMFYSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC(=O)N1C ZINC000571650622 483598121 /nfs/dbraw/zinc/59/81/21/483598121.db2.gz XUEHAWWZJRNIQS-OAHLLOKOSA-N 0 3 367.494 -0.345 20 0 FBADHN NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000571657966 483679189 /nfs/dbraw/zinc/67/91/89/483679189.db2.gz DALOIURUBPBTPF-CMPLNLGQSA-N 0 3 372.834 -0.629 20 0 FBADHN NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000571657968 483678886 /nfs/dbraw/zinc/67/88/86/483678886.db2.gz DALOIURUBPBTPF-JQWIXIFHSA-N 0 3 372.834 -0.629 20 0 FBADHN NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000571657970 483679363 /nfs/dbraw/zinc/67/93/63/483679363.db2.gz DALOIURUBPBTPF-PWSUYJOCSA-N 0 3 372.834 -0.629 20 0 FBADHN NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000571657972 483678959 /nfs/dbraw/zinc/67/89/59/483678959.db2.gz DALOIURUBPBTPF-ZYHUDNBSSA-N 0 3 372.834 -0.629 20 0 FBADHN Cc1cccc(N2CCN(C(=O)CN3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)c1 ZINC000571658070 483679909 /nfs/dbraw/zinc/67/99/09/483679909.db2.gz DRYHGUQSUDXZOO-MSOLQXFVSA-N 0 3 371.485 -0.113 20 0 FBADHN Cc1cccc(N2CCN(C(=O)CN3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)c1 ZINC000571658073 483679788 /nfs/dbraw/zinc/67/97/88/483679788.db2.gz DRYHGUQSUDXZOO-QZTJIDSGSA-N 0 3 371.485 -0.113 20 0 FBADHN Cc1cccc(N2CCN(C(=O)CN3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)c1 ZINC000571658074 483679878 /nfs/dbraw/zinc/67/98/78/483679878.db2.gz DRYHGUQSUDXZOO-ROUUACIJSA-N 0 3 371.485 -0.113 20 0 FBADHN Cc1cccc(N2CCN(C(=O)CN3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)c1 ZINC000571658075 483679583 /nfs/dbraw/zinc/67/95/83/483679583.db2.gz DRYHGUQSUDXZOO-ZWKOTPCHSA-N 0 3 371.485 -0.113 20 0 FBADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1OC ZINC000571658433 483873200 /nfs/dbraw/zinc/87/32/00/483873200.db2.gz HWYMMZHDJIIKHW-NSHDSACASA-N 0 3 370.431 -0.127 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cn(-c2ccccc2)nn1 ZINC000571659650 483882826 /nfs/dbraw/zinc/88/28/26/483882826.db2.gz PXKYWHGWXVHODA-DZGCQCFKSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cn(-c2ccccc2)nn1 ZINC000571659651 483882632 /nfs/dbraw/zinc/88/26/32/483882632.db2.gz PXKYWHGWXVHODA-HIFRSBDPSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cn(-c2ccccc2)nn1 ZINC000571659652 483882842 /nfs/dbraw/zinc/88/28/42/483882842.db2.gz PXKYWHGWXVHODA-UKRRQHHQSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cn(-c2ccccc2)nn1 ZINC000571659653 483883246 /nfs/dbraw/zinc/88/32/46/483883246.db2.gz PXKYWHGWXVHODA-ZFWWWQNUSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571667128 484024678 /nfs/dbraw/zinc/02/46/78/484024678.db2.gz XLSVNKCDPODFAT-BPNCWPANSA-N 0 3 356.448 -0.732 20 0 FBADHN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571667129 484023991 /nfs/dbraw/zinc/02/39/91/484023991.db2.gz XLSVNKCDPODFAT-SWHYSGLUSA-N 0 3 356.448 -0.732 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000571680648 484545311 /nfs/dbraw/zinc/54/53/11/484545311.db2.gz BNVGCJLQSKKBQS-INIZCTEOSA-N 0 3 374.441 -0.612 20 0 FBADHN CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000571680649 484545263 /nfs/dbraw/zinc/54/52/63/484545263.db2.gz BNVGCJLQSKKBQS-MRXNPFEDSA-N 0 3 374.441 -0.612 20 0 FBADHN COc1cncc(NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)n1 ZINC000571687109 484456176 /nfs/dbraw/zinc/45/61/76/484456176.db2.gz CJCUOCQOUUFYIK-GFCCVEGCSA-N 0 3 351.407 0.041 20 0 FBADHN COc1cncc(NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)n1 ZINC000571687110 484455999 /nfs/dbraw/zinc/45/59/99/484455999.db2.gz CJCUOCQOUUFYIK-LBPRGKRZSA-N 0 3 351.407 0.041 20 0 FBADHN C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H](C)O1 ZINC000571702670 484896478 /nfs/dbraw/zinc/89/64/78/484896478.db2.gz PXSVRUBXPGOPAA-AIEDFZFUSA-N 0 3 366.462 -0.533 20 0 FBADHN C[C@@H]1CC(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H](C)O1 ZINC000571702671 484895706 /nfs/dbraw/zinc/89/57/06/484895706.db2.gz PXSVRUBXPGOPAA-QHSBEEBCSA-N 0 3 366.462 -0.533 20 0 FBADHN C[C@@H]1CC(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H](C)O1 ZINC000571702672 484895739 /nfs/dbraw/zinc/89/57/39/484895739.db2.gz PXSVRUBXPGOPAA-RJZRQDKASA-N 0 3 366.462 -0.533 20 0 FBADHN C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H](C)O1 ZINC000571702673 484896420 /nfs/dbraw/zinc/89/64/20/484896420.db2.gz PXSVRUBXPGOPAA-XLWJZTARSA-N 0 3 366.462 -0.533 20 0 FBADHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)nn1 ZINC000571706872 484431084 /nfs/dbraw/zinc/43/10/84/484431084.db2.gz SVPQKVXOQRFNAZ-UHFFFAOYSA-N 0 3 358.402 0.409 20 0 FBADHN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000571708464 484896571 /nfs/dbraw/zinc/89/65/71/484896571.db2.gz INVLWGPRZIEHGH-GFCCVEGCSA-N 0 3 359.430 -0.113 20 0 FBADHN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000571708465 484895910 /nfs/dbraw/zinc/89/59/10/484895910.db2.gz INVLWGPRZIEHGH-LBPRGKRZSA-N 0 3 359.430 -0.113 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000571739548 484899940 /nfs/dbraw/zinc/89/99/40/484899940.db2.gz YJUIUMLHIXQWSQ-KBPBESRZSA-N 0 3 352.435 -0.953 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000571739549 484899183 /nfs/dbraw/zinc/89/91/83/484899183.db2.gz YJUIUMLHIXQWSQ-KGLIPLIRSA-N 0 3 352.435 -0.953 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000571739550 484900015 /nfs/dbraw/zinc/90/00/15/484900015.db2.gz YJUIUMLHIXQWSQ-UONOGXRCSA-N 0 3 352.435 -0.953 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000571739551 484899559 /nfs/dbraw/zinc/89/95/59/484899559.db2.gz YJUIUMLHIXQWSQ-ZIAGYGMSSA-N 0 3 352.435 -0.953 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NC2CNC2)c(C)c1S(=O)(=O)NC1CC1 ZINC000571742979 484899412 /nfs/dbraw/zinc/89/94/12/484899412.db2.gz PPLDUAGSDSXNSY-UHFFFAOYSA-N 0 3 366.443 -0.229 20 0 FBADHN COCCOc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000571746224 484899336 /nfs/dbraw/zinc/89/93/36/484899336.db2.gz DNLBWUGBRJHGHN-HNNXBMFYSA-N 0 3 364.446 -0.571 20 0 FBADHN COCCOc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000571746227 484900055 /nfs/dbraw/zinc/90/00/55/484900055.db2.gz DNLBWUGBRJHGHN-OAHLLOKOSA-N 0 3 364.446 -0.571 20 0 FBADHN CN(C(=O)CN1CCN(C(=O)C(=O)NC2CNC2)CC1)C1CCCCC1 ZINC000571746711 484900087 /nfs/dbraw/zinc/90/00/87/484900087.db2.gz JJJNQBMRNKODON-UHFFFAOYSA-N 0 3 365.478 -0.990 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1OC ZINC000571747154 484899766 /nfs/dbraw/zinc/89/97/66/484899766.db2.gz RWGIBFKKBBBCAG-CYBMUJFWSA-N 0 3 350.419 -0.579 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1OC ZINC000571747155 484899589 /nfs/dbraw/zinc/89/95/89/484899589.db2.gz RWGIBFKKBBBCAG-ZDUSSCGKSA-N 0 3 350.419 -0.579 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC000571756329 484897705 /nfs/dbraw/zinc/89/77/05/484897705.db2.gz BWZYYGXGVDHGFX-BYNSBNAKSA-N 0 3 369.487 -0.425 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC000571756330 484897296 /nfs/dbraw/zinc/89/72/96/484897296.db2.gz BWZYYGXGVDHGFX-GBJTYRQASA-N 0 3 369.487 -0.425 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC000571756331 484898519 /nfs/dbraw/zinc/89/85/19/484898519.db2.gz BWZYYGXGVDHGFX-LJISPDSOSA-N 0 3 369.487 -0.425 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[C@@H]2C1 ZINC000571756332 484898099 /nfs/dbraw/zinc/89/80/99/484898099.db2.gz BWZYYGXGVDHGFX-ZQDZILKHSA-N 0 3 369.487 -0.425 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000571757450 484897435 /nfs/dbraw/zinc/89/74/35/484897435.db2.gz WGTPYYOVIQLYCF-CYBMUJFWSA-N 0 3 353.467 -0.151 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000571757451 484897748 /nfs/dbraw/zinc/89/77/48/484897748.db2.gz WGTPYYOVIQLYCF-ZDUSSCGKSA-N 0 3 353.467 -0.151 20 0 FBADHN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000571760898 484898192 /nfs/dbraw/zinc/89/81/92/484898192.db2.gz SBOHGATWBVIWMY-UHFFFAOYSA-N 0 3 354.378 -0.629 20 0 FBADHN COc1cc2c(cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN)OCC(=O)N2 ZINC000571765723 484899102 /nfs/dbraw/zinc/89/91/02/484899102.db2.gz GDEKONYTUQSREQ-JTQLQIEISA-N 0 3 370.431 -0.711 20 0 FBADHN COc1cc2c(cc1S(=O)(=O)N1CCN(C)C[C@H]1CN)OCC(=O)N2 ZINC000571765724 484899253 /nfs/dbraw/zinc/89/92/53/484899253.db2.gz GDEKONYTUQSREQ-SNVBAGLBSA-N 0 3 370.431 -0.711 20 0 FBADHN CCn1cncc1S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000571772632 484899505 /nfs/dbraw/zinc/89/95/05/484899505.db2.gz GWYUBXSBPWCHDL-UHFFFAOYSA-N 0 3 371.507 -0.022 20 0 FBADHN CC1(C)CCN(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000571773574 484899909 /nfs/dbraw/zinc/89/99/09/484899909.db2.gz AENZUSUGRAOFPT-UHFFFAOYSA-N 0 3 364.446 -0.462 20 0 FBADHN CN(CC(C)(C)CN1CCOCC1)C(=O)NCC(=O)N1CCNCC1 ZINC000571777268 484901163 /nfs/dbraw/zinc/90/11/63/484901163.db2.gz CIZQAOPJYSMGAD-UHFFFAOYSA-N 0 3 355.483 -0.582 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000571786877 484900769 /nfs/dbraw/zinc/90/07/69/484900769.db2.gz FINCHWVQZZKMHT-GOSISDBHSA-N 0 3 368.478 -0.316 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000571786878 484901262 /nfs/dbraw/zinc/90/12/62/484901262.db2.gz FINCHWVQZZKMHT-SFHVURJKSA-N 0 3 368.478 -0.316 20 0 FBADHN N[C@H](CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000571789749 484900730 /nfs/dbraw/zinc/90/07/30/484900730.db2.gz VCIBOWJTJLRWKW-HNNXBMFYSA-N 0 3 358.442 -0.104 20 0 FBADHN O=C(CCOC1CNC1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000571794810 484900969 /nfs/dbraw/zinc/90/09/69/484900969.db2.gz GRLCCTISTICJGT-UHFFFAOYSA-N 0 3 361.446 -0.385 20 0 FBADHN CCS(=O)(=O)N1CCC(NC(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000571817798 484902295 /nfs/dbraw/zinc/90/22/95/484902295.db2.gz LGUNDYPWSGHCHX-UHFFFAOYSA-N 0 3 357.480 -0.011 20 0 FBADHN Cc1nnnn1-c1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c(F)c1 ZINC000571819944 484902394 /nfs/dbraw/zinc/90/23/94/484902394.db2.gz OBHFHOICKJGRJY-JTQLQIEISA-N 0 3 363.397 -0.094 20 0 FBADHN Cc1nnnn1-c1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c(F)c1 ZINC000571819945 484902491 /nfs/dbraw/zinc/90/24/91/484902491.db2.gz OBHFHOICKJGRJY-SNVBAGLBSA-N 0 3 363.397 -0.094 20 0 FBADHN COC1CCC(C)(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000571821102 484902220 /nfs/dbraw/zinc/90/22/20/484902220.db2.gz JWLBDYWHKRAQTB-CZJPOVKDSA-N 0 3 366.462 -0.532 20 0 FBADHN COC1CCC(C)(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000571821103 484902462 /nfs/dbraw/zinc/90/24/62/484902462.db2.gz JWLBDYWHKRAQTB-DWBBHFSCSA-N 0 3 366.462 -0.532 20 0 FBADHN COC1CCC(C)(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000571821105 484902327 /nfs/dbraw/zinc/90/23/27/484902327.db2.gz JWLBDYWHKRAQTB-FMHYQEOESA-N 0 3 366.462 -0.532 20 0 FBADHN COC1CCC(C)(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000571821107 484902205 /nfs/dbraw/zinc/90/22/05/484902205.db2.gz JWLBDYWHKRAQTB-VUULHSHRSA-N 0 3 366.462 -0.532 20 0 FBADHN Cc1c(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nnn1-c1ccccc1 ZINC000571821846 484901894 /nfs/dbraw/zinc/90/18/94/484901894.db2.gz VSUXTLCYTPQROA-CABCVRRESA-N 0 3 354.414 -0.111 20 0 FBADHN Cc1c(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nnn1-c1ccccc1 ZINC000571821847 484902433 /nfs/dbraw/zinc/90/24/33/484902433.db2.gz VSUXTLCYTPQROA-GJZGRUSLSA-N 0 3 354.414 -0.111 20 0 FBADHN Cc1c(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nnn1-c1ccccc1 ZINC000571821848 484902230 /nfs/dbraw/zinc/90/22/30/484902230.db2.gz VSUXTLCYTPQROA-HUUCEWRRSA-N 0 3 354.414 -0.111 20 0 FBADHN Cc1c(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nnn1-c1ccccc1 ZINC000571821849 484902241 /nfs/dbraw/zinc/90/22/41/484902241.db2.gz VSUXTLCYTPQROA-LSDHHAIUSA-N 0 3 354.414 -0.111 20 0 FBADHN Cn1nc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1C1CC1 ZINC000571846181 484094961 /nfs/dbraw/zinc/09/49/61/484094961.db2.gz PIOACPHKGWFAIM-UHFFFAOYSA-N 0 3 362.478 0.378 20 0 FBADHN CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCNCC1 ZINC000571866378 484903658 /nfs/dbraw/zinc/90/36/58/484903658.db2.gz HVDHZZWAWNEPTH-HNNXBMFYSA-N 0 3 367.494 -0.695 20 0 FBADHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCNCC1 ZINC000571866379 484903850 /nfs/dbraw/zinc/90/38/50/484903850.db2.gz HVDHZZWAWNEPTH-OAHLLOKOSA-N 0 3 367.494 -0.695 20 0 FBADHN Cc1cccc(CN2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)CC2)c1 ZINC000571872509 484904085 /nfs/dbraw/zinc/90/40/85/484904085.db2.gz JTHKAVBZPDASPR-GOSISDBHSA-N 0 3 373.501 -0.259 20 0 FBADHN Cc1cccc(CN2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)CC2)c1 ZINC000571872510 484904239 /nfs/dbraw/zinc/90/42/39/484904239.db2.gz JTHKAVBZPDASPR-SFHVURJKSA-N 0 3 373.501 -0.259 20 0 FBADHN O=C([C@H]1CNCc2ccccc21)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000571880538 484904979 /nfs/dbraw/zinc/90/49/79/484904979.db2.gz KTDFOVGDMMNMDR-INIZCTEOSA-N 0 3 364.471 -0.681 20 0 FBADHN O=C([C@@H]1CNCc2ccccc21)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000571880540 484905199 /nfs/dbraw/zinc/90/51/99/484905199.db2.gz KTDFOVGDMMNMDR-MRXNPFEDSA-N 0 3 364.471 -0.681 20 0 FBADHN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@H](CN)OC ZINC000571884683 484904958 /nfs/dbraw/zinc/90/49/58/484904958.db2.gz WGVBXGJPMCUQQY-HNNXBMFYSA-N 0 3 350.419 -0.005 20 0 FBADHN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H](CN)OC ZINC000571884684 484905089 /nfs/dbraw/zinc/90/50/89/484905089.db2.gz WGVBXGJPMCUQQY-OAHLLOKOSA-N 0 3 350.419 -0.005 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000571884765 484905456 /nfs/dbraw/zinc/90/54/56/484905456.db2.gz GGZDVSRTXQDUQG-OAHLLOKOSA-N 0 3 370.494 -0.260 20 0 FBADHN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cccc3c2CCNC3)C1=O ZINC000571890495 484905412 /nfs/dbraw/zinc/90/54/12/484905412.db2.gz JDJNQLBAJASTNQ-AWEZNQCLSA-N 0 3 358.398 -0.077 20 0 FBADHN CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cccc3c2CCNC3)C1=O ZINC000571890496 484905489 /nfs/dbraw/zinc/90/54/89/484905489.db2.gz JDJNQLBAJASTNQ-CQSZACIVSA-N 0 3 358.398 -0.077 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3cccc(N4CCOCC4)c3)CCN2C1=O ZINC000571896457 484906619 /nfs/dbraw/zinc/90/66/19/484906619.db2.gz AMNNYWCHQOZIGU-DLBZAZTESA-N 0 3 373.457 -0.023 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(N4CCOCC4)c3)CCN2C1=O ZINC000571896458 484907079 /nfs/dbraw/zinc/90/70/79/484907079.db2.gz AMNNYWCHQOZIGU-IAGOWNOFSA-N 0 3 373.457 -0.023 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3cccc(N4CCOCC4)c3)CCN2C1=O ZINC000571896459 484906480 /nfs/dbraw/zinc/90/64/80/484906480.db2.gz AMNNYWCHQOZIGU-IRXDYDNUSA-N 0 3 373.457 -0.023 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(N4CCOCC4)c3)CCN2C1=O ZINC000571896460 484907451 /nfs/dbraw/zinc/90/74/51/484907451.db2.gz AMNNYWCHQOZIGU-SJORKVTESA-N 0 3 373.457 -0.023 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571896527 484906587 /nfs/dbraw/zinc/90/65/87/484906587.db2.gz DMKOANQDNHKEKO-CMPLNLGQSA-N 0 3 350.423 -0.556 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571896528 484906999 /nfs/dbraw/zinc/90/69/99/484906999.db2.gz DMKOANQDNHKEKO-JQWIXIFHSA-N 0 3 350.423 -0.556 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571896529 484906598 /nfs/dbraw/zinc/90/65/98/484906598.db2.gz DMKOANQDNHKEKO-PWSUYJOCSA-N 0 3 350.423 -0.556 20 0 FBADHN CCc1nn(C)c(OC)c1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571896530 484907294 /nfs/dbraw/zinc/90/72/94/484907294.db2.gz DMKOANQDNHKEKO-ZYHUDNBSSA-N 0 3 350.423 -0.556 20 0 FBADHN O=C(NCCCNS(=O)(=O)c1ccccc1Cl)C(=O)NC1CNC1 ZINC000571896814 484906653 /nfs/dbraw/zinc/90/66/53/484906653.db2.gz MFVNJZRDFWVXFD-UHFFFAOYSA-N 0 3 374.850 -0.787 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H](CO)Cc2cnn(C)c2)CC1=O ZINC000571898409 484907202 /nfs/dbraw/zinc/90/72/02/484907202.db2.gz AQHSKPLNQCHUPK-CABCVRRESA-N 0 3 351.451 -0.903 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H](CO)Cc2cnn(C)c2)CC1=O ZINC000571898413 484906789 /nfs/dbraw/zinc/90/67/89/484906789.db2.gz AQHSKPLNQCHUPK-GJZGRUSLSA-N 0 3 351.451 -0.903 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC[C@H](CO)Cc2cnn(C)c2)CC1=O ZINC000571898415 484906199 /nfs/dbraw/zinc/90/61/99/484906199.db2.gz AQHSKPLNQCHUPK-HUUCEWRRSA-N 0 3 351.451 -0.903 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H](CO)Cc2cnn(C)c2)CC1=O ZINC000571898416 484906933 /nfs/dbraw/zinc/90/69/33/484906933.db2.gz AQHSKPLNQCHUPK-LSDHHAIUSA-N 0 3 351.451 -0.903 20 0 FBADHN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000571898960 484906387 /nfs/dbraw/zinc/90/63/87/484906387.db2.gz TZKODOUHWVCUJP-AWEZNQCLSA-N 0 3 374.441 -0.479 20 0 FBADHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000571898961 484907091 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0 FBADHN COc1ccccc1N1CC[C@@H](NC[C@H](O)CN2CCN(C)CC2)C1=O ZINC000572148809 484919404 /nfs/dbraw/zinc/91/94/04/484919404.db2.gz CPZVPZOZFIHKSB-JKSUJKDBSA-N 0 3 362.474 -0.002 20 0 FBADHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCN(C)C[C@H]3CN)c(C)c12 ZINC000572155587 484921759 /nfs/dbraw/zinc/92/17/59/484921759.db2.gz MRHRDGVHZOCIIN-CYBMUJFWSA-N 0 3 360.462 -0.088 20 0 FBADHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCN(C)C[C@@H]3CN)c(C)c12 ZINC000572155588 484921847 /nfs/dbraw/zinc/92/18/47/484921847.db2.gz MRHRDGVHZOCIIN-ZDUSSCGKSA-N 0 3 360.462 -0.088 20 0 FBADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NCC(=O)OC)CC1 ZINC000572158741 484921315 /nfs/dbraw/zinc/92/13/15/484921315.db2.gz HNWRJPDRPNJNMN-GFCCVEGCSA-N 0 3 363.480 -0.342 20 0 FBADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NCC(=O)OC)CC1 ZINC000572158742 484921943 /nfs/dbraw/zinc/92/19/43/484921943.db2.gz HNWRJPDRPNJNMN-LBPRGKRZSA-N 0 3 363.480 -0.342 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000572160530 484920890 /nfs/dbraw/zinc/92/08/90/484920890.db2.gz PPLLUBRNQQDKPC-LLVKDONJSA-N 0 3 364.431 -0.452 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000572160531 484921179 /nfs/dbraw/zinc/92/11/79/484921179.db2.gz PPLLUBRNQQDKPC-NSHDSACASA-N 0 3 364.431 -0.452 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC(C)(C)CCCO)CN1CCN(C)CC1 ZINC000572166134 484921390 /nfs/dbraw/zinc/92/13/90/484921390.db2.gz CZOZDFHHMSSNHT-HNNXBMFYSA-N 0 3 356.511 -0.099 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC(C)(C)CCCO)CN1CCN(C)CC1 ZINC000572166135 484921341 /nfs/dbraw/zinc/92/13/41/484921341.db2.gz CZOZDFHHMSSNHT-OAHLLOKOSA-N 0 3 356.511 -0.099 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572179741 484923532 /nfs/dbraw/zinc/92/35/32/484923532.db2.gz AZPBRHXFZXBRID-FPCVCCKLSA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572179742 484922699 /nfs/dbraw/zinc/92/26/99/484922699.db2.gz AZPBRHXFZXBRID-QXSJWSMHSA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572179743 484922722 /nfs/dbraw/zinc/92/27/22/484922722.db2.gz AZPBRHXFZXBRID-UGUYLWEFSA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572179744 484923250 /nfs/dbraw/zinc/92/32/50/484923250.db2.gz AZPBRHXFZXBRID-WCVJEAGWSA-N 0 3 352.479 -0.058 20 0 FBADHN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572180978 484922948 /nfs/dbraw/zinc/92/29/48/484922948.db2.gz YEVLKVGWBIMAIC-CFVMTHIKSA-N 0 3 372.425 -0.376 20 0 FBADHN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572180979 484922817 /nfs/dbraw/zinc/92/28/17/484922817.db2.gz YEVLKVGWBIMAIC-QEJZJMRPSA-N 0 3 372.425 -0.376 20 0 FBADHN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572180980 484923544 /nfs/dbraw/zinc/92/35/44/484923544.db2.gz YEVLKVGWBIMAIC-SNPRPXQTSA-N 0 3 372.425 -0.376 20 0 FBADHN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572180981 484923291 /nfs/dbraw/zinc/92/32/91/484923291.db2.gz YEVLKVGWBIMAIC-YUELXQCFSA-N 0 3 372.425 -0.376 20 0 FBADHN C[C@H](NC(=O)C(=O)NCC(C)(C)N1CCOCC1)C1=CCN(C)CC1 ZINC000572183130 484922878 /nfs/dbraw/zinc/92/28/78/484922878.db2.gz GTUYCBRVKNFTLA-AWEZNQCLSA-N 0 3 352.479 -0.020 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCC(C)(C)N1CCOCC1)C1=CCN(C)CC1 ZINC000572183131 484923230 /nfs/dbraw/zinc/92/32/30/484923230.db2.gz GTUYCBRVKNFTLA-CQSZACIVSA-N 0 3 352.479 -0.020 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CCCO1 ZINC000572198296 484924371 /nfs/dbraw/zinc/92/43/71/484924371.db2.gz CBXFJSQLFKCHKE-AWEZNQCLSA-N 0 3 366.462 -0.563 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CCCO1 ZINC000572198297 484924400 /nfs/dbraw/zinc/92/44/00/484924400.db2.gz CBXFJSQLFKCHKE-CQSZACIVSA-N 0 3 366.462 -0.563 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000572228095 484925823 /nfs/dbraw/zinc/92/58/23/484925823.db2.gz HECANPDYZHFBQG-UHFFFAOYSA-N 0 3 366.849 -0.049 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000572251812 484925388 /nfs/dbraw/zinc/92/53/88/484925388.db2.gz ZODIFGNGEAHCMV-AWEZNQCLSA-N 0 3 366.466 -0.096 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000572251813 484925921 /nfs/dbraw/zinc/92/59/21/484925921.db2.gz ZODIFGNGEAHCMV-CQSZACIVSA-N 0 3 366.466 -0.096 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000572258041 484927031 /nfs/dbraw/zinc/92/70/31/484927031.db2.gz IEHGXESNCSRMQV-DZGCQCFKSA-N 0 3 361.427 -0.195 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000572258042 484927262 /nfs/dbraw/zinc/92/72/62/484927262.db2.gz IEHGXESNCSRMQV-HIFRSBDPSA-N 0 3 361.427 -0.195 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000572258043 484927168 /nfs/dbraw/zinc/92/71/68/484927168.db2.gz IEHGXESNCSRMQV-UKRRQHHQSA-N 0 3 361.427 -0.195 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000572258044 484927363 /nfs/dbraw/zinc/92/73/63/484927363.db2.gz IEHGXESNCSRMQV-ZFWWWQNUSA-N 0 3 361.427 -0.195 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CN2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000572260315 484927675 /nfs/dbraw/zinc/92/76/75/484927675.db2.gz XXVZPRWEGISQTP-HNNXBMFYSA-N 0 3 358.508 -0.492 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CN2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000572260316 484927641 /nfs/dbraw/zinc/92/76/41/484927641.db2.gz XXVZPRWEGISQTP-OAHLLOKOSA-N 0 3 358.508 -0.492 20 0 FBADHN COCCNc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000572264730 484927501 /nfs/dbraw/zinc/92/75/01/484927501.db2.gz PIDUNUFGEUACHZ-INIZCTEOSA-N 0 3 363.462 -0.538 20 0 FBADHN COCCNc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000572264731 484926874 /nfs/dbraw/zinc/92/68/74/484926874.db2.gz PIDUNUFGEUACHZ-MRXNPFEDSA-N 0 3 363.462 -0.538 20 0 FBADHN COC[C@H](NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1)C(C)C ZINC000572269176 484927456 /nfs/dbraw/zinc/92/74/56/484927456.db2.gz GGHHSQODCJIRSN-HNNXBMFYSA-N 0 3 370.494 -0.168 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1)C(C)C ZINC000572269177 484926904 /nfs/dbraw/zinc/92/69/04/484926904.db2.gz GGHHSQODCJIRSN-OAHLLOKOSA-N 0 3 370.494 -0.168 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572272714 484928606 /nfs/dbraw/zinc/92/86/06/484928606.db2.gz SFDAMWZKLJOQMZ-LLVKDONJSA-N 0 3 350.379 -0.556 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572272715 484928793 /nfs/dbraw/zinc/92/87/93/484928793.db2.gz SFDAMWZKLJOQMZ-NSHDSACASA-N 0 3 350.379 -0.556 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000572274282 484929097 /nfs/dbraw/zinc/92/90/97/484929097.db2.gz UXRCFEYPNLDMQA-UHFFFAOYSA-N 0 3 374.445 -0.704 20 0 FBADHN CN1CCN(C[C@H](O)CNCc2cccnc2N2CCN(C)CC2)CC1 ZINC000572274454 484928618 /nfs/dbraw/zinc/92/86/18/484928618.db2.gz BSEPTXHOTXFLQN-GOSISDBHSA-N 0 3 362.522 -0.469 20 0 FBADHN CN1CCN(C[C@@H](O)CNCc2cccnc2N2CCN(C)CC2)CC1 ZINC000572274455 484928762 /nfs/dbraw/zinc/92/87/62/484928762.db2.gz BSEPTXHOTXFLQN-SFHVURJKSA-N 0 3 362.522 -0.469 20 0 FBADHN COC(=O)c1ccc(OC[C@H](O)CNCCN2C(=O)CCC2=O)cc1 ZINC000572274465 484928264 /nfs/dbraw/zinc/92/82/64/484928264.db2.gz CGWCQIPDGGEZHX-CYBMUJFWSA-N 0 3 350.371 -0.049 20 0 FBADHN COC(=O)c1ccc(OC[C@@H](O)CNCCN2C(=O)CCC2=O)cc1 ZINC000572274466 484928342 /nfs/dbraw/zinc/92/83/42/484928342.db2.gz CGWCQIPDGGEZHX-ZDUSSCGKSA-N 0 3 350.371 -0.049 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000572276378 484928564 /nfs/dbraw/zinc/92/85/64/484928564.db2.gz LFELKVZHOHMGDJ-KFWWJZLASA-N 0 3 368.478 -0.366 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000572276379 484928191 /nfs/dbraw/zinc/92/81/91/484928191.db2.gz LFELKVZHOHMGDJ-RBSFLKMASA-N 0 3 368.478 -0.366 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000572276380 484928212 /nfs/dbraw/zinc/92/82/12/484928212.db2.gz LFELKVZHOHMGDJ-RRFJBIMHSA-N 0 3 368.478 -0.366 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000572276381 484929262 /nfs/dbraw/zinc/92/92/62/484929262.db2.gz LFELKVZHOHMGDJ-ZNMIVQPWSA-N 0 3 368.478 -0.366 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@H]1CO ZINC000572278052 484929189 /nfs/dbraw/zinc/92/91/89/484929189.db2.gz IDDOWWDIOLLLBE-HIFRSBDPSA-N 0 3 364.446 -0.275 20 0 FBADHN CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@@H](CN)C1 ZINC000572283653 484931582 /nfs/dbraw/zinc/93/15/82/484931582.db2.gz ZYBPDTJDDVSVTA-INIZCTEOSA-N 0 3 371.441 -0.840 20 0 FBADHN CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](CN)C1 ZINC000572283654 484932831 /nfs/dbraw/zinc/93/28/31/484932831.db2.gz ZYBPDTJDDVSVTA-MRXNPFEDSA-N 0 3 371.441 -0.840 20 0 FBADHN [NH3+]C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCO1 ZINC000572284133 484931642 /nfs/dbraw/zinc/93/16/42/484931642.db2.gz UBZBZMCAHKKREQ-MRVPVSSYSA-N 0 3 361.196 -0.712 20 0 FBADHN [NH3+]C[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCO1 ZINC000572284134 484931943 /nfs/dbraw/zinc/93/19/43/484931943.db2.gz UBZBZMCAHKKREQ-QMMMGPOBSA-N 0 3 361.196 -0.712 20 0 FBADHN COCCN(C(=O)CN[C@](C)(CO)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000572290843 484934389 /nfs/dbraw/zinc/93/43/89/484934389.db2.gz NJYOBQHEINTTOW-DZGCQCFKSA-N 0 3 350.481 -0.355 20 0 FBADHN COCCN(C(=O)CN[C@@](C)(CO)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000572290844 484933114 /nfs/dbraw/zinc/93/31/14/484933114.db2.gz NJYOBQHEINTTOW-HIFRSBDPSA-N 0 3 350.481 -0.355 20 0 FBADHN COCCN(C(=O)CN[C@](C)(CO)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000572290845 484934023 /nfs/dbraw/zinc/93/40/23/484934023.db2.gz NJYOBQHEINTTOW-UKRRQHHQSA-N 0 3 350.481 -0.355 20 0 FBADHN COCCN(C(=O)CN[C@@](C)(CO)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000572290846 484933388 /nfs/dbraw/zinc/93/33/88/484933388.db2.gz NJYOBQHEINTTOW-ZFWWWQNUSA-N 0 3 350.481 -0.355 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000572300180 484932428 /nfs/dbraw/zinc/93/24/28/484932428.db2.gz KTNBJBNOKWSDPM-AWEZNQCLSA-N 0 3 357.414 -0.089 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000572300181 484932524 /nfs/dbraw/zinc/93/25/24/484932524.db2.gz KTNBJBNOKWSDPM-CQSZACIVSA-N 0 3 357.414 -0.089 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000572304377 484933801 /nfs/dbraw/zinc/93/38/01/484933801.db2.gz NXWZDUCTAADELH-MSOLQXFVSA-N 0 3 371.485 -0.425 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000572304378 484933826 /nfs/dbraw/zinc/93/38/26/484933826.db2.gz NXWZDUCTAADELH-QZTJIDSGSA-N 0 3 371.485 -0.425 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000572304379 484934121 /nfs/dbraw/zinc/93/41/21/484934121.db2.gz NXWZDUCTAADELH-ROUUACIJSA-N 0 3 371.485 -0.425 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCN(Cc4ccccc4)CC3)CCN2C1=O ZINC000572304380 484934411 /nfs/dbraw/zinc/93/44/11/484934411.db2.gz NXWZDUCTAADELH-ZWKOTPCHSA-N 0 3 371.485 -0.425 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)[C@@H](C)C1 ZINC000572308652 484934608 /nfs/dbraw/zinc/93/46/08/484934608.db2.gz IHYXOIRONZDYSW-CABCVRRESA-N 0 3 367.494 -0.935 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@@H](C)C1 ZINC000572308653 484933141 /nfs/dbraw/zinc/93/31/41/484933141.db2.gz IHYXOIRONZDYSW-GJZGRUSLSA-N 0 3 367.494 -0.935 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)[C@H](C)C1 ZINC000572308654 484933232 /nfs/dbraw/zinc/93/32/32/484933232.db2.gz IHYXOIRONZDYSW-HUUCEWRRSA-N 0 3 367.494 -0.935 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@H](C)C1 ZINC000572308655 484934660 /nfs/dbraw/zinc/93/46/60/484934660.db2.gz IHYXOIRONZDYSW-LSDHHAIUSA-N 0 3 367.494 -0.935 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000572315172 484933614 /nfs/dbraw/zinc/93/36/14/484933614.db2.gz BFJRSVIFEGYULG-CYBMUJFWSA-N 0 3 367.425 -0.390 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000572315173 484933184 /nfs/dbraw/zinc/93/31/84/484933184.db2.gz BFJRSVIFEGYULG-ZDUSSCGKSA-N 0 3 367.425 -0.390 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)co1 ZINC000572317131 484933296 /nfs/dbraw/zinc/93/32/96/484933296.db2.gz ODJCCXKHRJPGOU-HNNXBMFYSA-N 0 3 357.432 -0.284 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)co1 ZINC000572317132 484934623 /nfs/dbraw/zinc/93/46/23/484934623.db2.gz ODJCCXKHRJPGOU-OAHLLOKOSA-N 0 3 357.432 -0.284 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000572329118 484935731 /nfs/dbraw/zinc/93/57/31/484935731.db2.gz ZWFZQDWFYCMCEN-UHFFFAOYSA-N 0 3 365.544 -0.161 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000572348131 484937484 /nfs/dbraw/zinc/93/74/84/484937484.db2.gz DIXMMQGTJHHDTA-UHFFFAOYSA-N 0 3 364.353 -0.707 20 0 FBADHN CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000572348168 484937862 /nfs/dbraw/zinc/93/78/62/484937862.db2.gz JGJQVTBMOYXJQH-UHFFFAOYSA-N 0 3 373.457 -0.580 20 0 FBADHN O=C(NCCNC(=O)c1cccnc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000572348487 484937681 /nfs/dbraw/zinc/93/76/81/484937681.db2.gz OLUVUULBSXCKNP-HNNXBMFYSA-N 0 3 359.430 -0.376 20 0 FBADHN O=C(NCCNC(=O)c1cccnc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000572348488 484937938 /nfs/dbraw/zinc/93/79/38/484937938.db2.gz OLUVUULBSXCKNP-OAHLLOKOSA-N 0 3 359.430 -0.376 20 0 FBADHN CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)[C@@H](CN)C1 ZINC000572354822 484938901 /nfs/dbraw/zinc/93/89/01/484938901.db2.gz GHWLEDOPAGGDGC-KKUMJFAQSA-N 0 3 366.487 -0.616 20 0 FBADHN CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)[C@H](CN)C1 ZINC000572354823 484938946 /nfs/dbraw/zinc/93/89/46/484938946.db2.gz GHWLEDOPAGGDGC-ZNMIVQPWSA-N 0 3 366.487 -0.616 20 0 FBADHN COc1cccc(C(=O)N2CCN(C(=O)[C@H](CN)OC)CC2)c1OC ZINC000572355475 484938877 /nfs/dbraw/zinc/93/88/77/484938877.db2.gz TUJGUFODNHTVDT-AWEZNQCLSA-N 0 3 351.403 -0.038 20 0 FBADHN COc1cccc(C(=O)N2CCN(C(=O)[C@@H](CN)OC)CC2)c1OC ZINC000572355476 484939116 /nfs/dbraw/zinc/93/91/16/484939116.db2.gz TUJGUFODNHTVDT-CQSZACIVSA-N 0 3 351.403 -0.038 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cn1C ZINC000572376863 484945727 /nfs/dbraw/zinc/94/57/27/484945727.db2.gz VYHWRIKFJGUMDO-CYBMUJFWSA-N 0 3 369.491 -0.097 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cn1C ZINC000572376864 484946814 /nfs/dbraw/zinc/94/68/14/484946814.db2.gz VYHWRIKFJGUMDO-ZDUSSCGKSA-N 0 3 369.491 -0.097 20 0 FBADHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572379580 484944114 /nfs/dbraw/zinc/94/41/14/484944114.db2.gz KSIOSEOOABASFD-BARDWOONSA-N 0 3 366.462 -0.676 20 0 FBADHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572379581 484944057 /nfs/dbraw/zinc/94/40/57/484944057.db2.gz KSIOSEOOABASFD-KBXIAJHMSA-N 0 3 366.462 -0.676 20 0 FBADHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572379582 484944742 /nfs/dbraw/zinc/94/47/42/484944742.db2.gz KSIOSEOOABASFD-QPSCCSFWSA-N 0 3 366.462 -0.676 20 0 FBADHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572379583 484944249 /nfs/dbraw/zinc/94/42/49/484944249.db2.gz KSIOSEOOABASFD-TUVASFSCSA-N 0 3 366.462 -0.676 20 0 FBADHN CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000572379705 484944732 /nfs/dbraw/zinc/94/47/32/484944732.db2.gz OKHIVPBSUXTWNU-GXTWGEPZSA-N 0 3 351.428 -0.136 20 0 FBADHN CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000572379706 484944337 /nfs/dbraw/zinc/94/43/37/484944337.db2.gz OKHIVPBSUXTWNU-JSGCOSHPSA-N 0 3 351.428 -0.136 20 0 FBADHN CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000572379707 484944355 /nfs/dbraw/zinc/94/43/55/484944355.db2.gz OKHIVPBSUXTWNU-OCCSQVGLSA-N 0 3 351.428 -0.136 20 0 FBADHN CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000572379708 484944647 /nfs/dbraw/zinc/94/46/47/484944647.db2.gz OKHIVPBSUXTWNU-TZMCWYRMSA-N 0 3 351.428 -0.136 20 0 FBADHN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000572379995 484943993 /nfs/dbraw/zinc/94/39/93/484943993.db2.gz VXACVBAKDYUQER-KBPBESRZSA-N 0 3 373.413 -0.855 20 0 FBADHN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000572379996 484944542 /nfs/dbraw/zinc/94/45/42/484944542.db2.gz VXACVBAKDYUQER-KGLIPLIRSA-N 0 3 373.413 -0.855 20 0 FBADHN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000572379997 484945457 /nfs/dbraw/zinc/94/54/57/484945457.db2.gz VXACVBAKDYUQER-UONOGXRCSA-N 0 3 373.413 -0.855 20 0 FBADHN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000572379998 484946420 /nfs/dbraw/zinc/94/64/20/484946420.db2.gz VXACVBAKDYUQER-ZIAGYGMSSA-N 0 3 373.413 -0.855 20 0 FBADHN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000572381887 484949212 /nfs/dbraw/zinc/94/92/12/484949212.db2.gz TUCKGVYIHSROQH-HNNXBMFYSA-N 0 3 361.446 -0.846 20 0 FBADHN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000572381888 484948932 /nfs/dbraw/zinc/94/89/32/484948932.db2.gz TUCKGVYIHSROQH-OAHLLOKOSA-N 0 3 361.446 -0.846 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCN2CCc3ccccc32)[C@@H](CN)C1 ZINC000572382535 484949905 /nfs/dbraw/zinc/94/99/05/484949905.db2.gz BBZQAZMFWJEYIF-INIZCTEOSA-N 0 3 359.474 -0.343 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCN2CCc3ccccc32)[C@H](CN)C1 ZINC000572382536 484949452 /nfs/dbraw/zinc/94/94/52/484949452.db2.gz BBZQAZMFWJEYIF-MRXNPFEDSA-N 0 3 359.474 -0.343 20 0 FBADHN CNC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000572383597 484950551 /nfs/dbraw/zinc/95/05/51/484950551.db2.gz FDGAOPUJWBKANM-HNNXBMFYSA-N 0 3 362.430 -0.549 20 0 FBADHN CNC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000572383598 484950517 /nfs/dbraw/zinc/95/05/17/484950517.db2.gz FDGAOPUJWBKANM-OAHLLOKOSA-N 0 3 362.430 -0.549 20 0 FBADHN CN1C(=O)N(CC(=O)N2CCN(C)C[C@H]2CN)C(=O)C12CCCCC2 ZINC000572401396 484959426 /nfs/dbraw/zinc/95/94/26/484959426.db2.gz LGDINOFLUBCQNE-CYBMUJFWSA-N 0 3 351.451 -0.315 20 0 FBADHN CN1C(=O)N(CC(=O)N2CCN(C)C[C@@H]2CN)C(=O)C12CCCCC2 ZINC000572401397 484960078 /nfs/dbraw/zinc/96/00/78/484960078.db2.gz LGDINOFLUBCQNE-ZDUSSCGKSA-N 0 3 351.451 -0.315 20 0 FBADHN Cn1c(N)c(C(=O)CN2CCc3ccccc3[C@H]2CN)c(=O)n(C)c1=O ZINC000572405427 484965390 /nfs/dbraw/zinc/96/53/90/484965390.db2.gz GTQLPPGLXXYULJ-CYBMUJFWSA-N 0 3 357.414 -0.593 20 0 FBADHN Cn1c(N)c(C(=O)CN2CCc3ccccc3[C@@H]2CN)c(=O)n(C)c1=O ZINC000572405428 484965905 /nfs/dbraw/zinc/96/59/05/484965905.db2.gz GTQLPPGLXXYULJ-ZDUSSCGKSA-N 0 3 357.414 -0.593 20 0 FBADHN COCc1noc(CN2CCN(CCC(=O)N3CCNCC3)CC2)n1 ZINC000572405531 484964848 /nfs/dbraw/zinc/96/48/48/484964848.db2.gz VDLSNSXNRRWKJV-UHFFFAOYSA-N 0 3 352.439 -0.845 20 0 FBADHN CC(C)CSCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572424962 484968420 /nfs/dbraw/zinc/96/84/20/484968420.db2.gz YNDICJOUQFQZRF-CHWSQXEVSA-N 0 3 356.492 -0.348 20 0 FBADHN CC(C)CSCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572424963 484968665 /nfs/dbraw/zinc/96/86/65/484968665.db2.gz YNDICJOUQFQZRF-OLZOCXBDSA-N 0 3 356.492 -0.348 20 0 FBADHN CC(C)CSCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572424964 484968736 /nfs/dbraw/zinc/96/87/36/484968736.db2.gz YNDICJOUQFQZRF-QWHCGFSZSA-N 0 3 356.492 -0.348 20 0 FBADHN CC(C)CSCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572424965 484967926 /nfs/dbraw/zinc/96/79/26/484967926.db2.gz YNDICJOUQFQZRF-STQMWFEESA-N 0 3 356.492 -0.348 20 0 FBADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000572427992 484969857 /nfs/dbraw/zinc/96/98/57/484969857.db2.gz ITOLPKRNZKZSJZ-UHFFFAOYSA-N 0 3 368.438 -0.903 20 0 FBADHN CN1CCN(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)[C@H](CN)C1 ZINC000572466346 484982538 /nfs/dbraw/zinc/98/25/38/484982538.db2.gz AJHZSHXPODAARS-CYBMUJFWSA-N 0 3 358.439 -0.116 20 0 FBADHN CN1CCN(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)[C@@H](CN)C1 ZINC000572466347 484983111 /nfs/dbraw/zinc/98/31/11/484983111.db2.gz AJHZSHXPODAARS-ZDUSSCGKSA-N 0 3 358.439 -0.116 20 0 FBADHN C[C@H]1CN(CCOC2CCN(C(=O)C(=O)NC3CNC3)CC2)C[C@H](C)O1 ZINC000572467649 484981439 /nfs/dbraw/zinc/98/14/39/484981439.db2.gz ZLBWFHRFSHMERZ-KBPBESRZSA-N 0 3 368.478 -0.809 20 0 FBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC3CNC3)CC2)C[C@H](C)O1 ZINC000572467650 484981002 /nfs/dbraw/zinc/98/10/02/484981002.db2.gz ZLBWFHRFSHMERZ-OKILXGFUSA-N 0 3 368.478 -0.809 20 0 FBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC3CNC3)CC2)C[C@@H](C)O1 ZINC000572467651 484981157 /nfs/dbraw/zinc/98/11/57/484981157.db2.gz ZLBWFHRFSHMERZ-ZIAGYGMSSA-N 0 3 368.478 -0.809 20 0 FBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CCC3)CC2)o1 ZINC000572479448 483935199 /nfs/dbraw/zinc/93/51/99/483935199.db2.gz ZFYCNBPWVZVUNF-UHFFFAOYSA-N 0 3 356.404 -0.907 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000572479964 483939624 /nfs/dbraw/zinc/93/96/24/483939624.db2.gz UDASILBSFPWKAQ-CYBMUJFWSA-N 0 3 358.416 -0.134 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000572479965 483939489 /nfs/dbraw/zinc/93/94/89/483939489.db2.gz UDASILBSFPWKAQ-ZDUSSCGKSA-N 0 3 358.416 -0.134 20 0 FBADHN CN(C)CCn1ccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000572493843 484226928 /nfs/dbraw/zinc/22/69/28/484226928.db2.gz BVJNLJSCQDKCKR-UHFFFAOYSA-N 0 3 371.401 -0.357 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC(=O)N(C)C2=O)CC1=O ZINC000572496476 484252656 /nfs/dbraw/zinc/25/26/56/484252656.db2.gz NTASKCLTZFVIET-JHJVBQTASA-N 0 3 350.419 -0.807 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC(=O)N(C)C2=O)CC1=O ZINC000572496477 484253592 /nfs/dbraw/zinc/25/35/92/484253592.db2.gz NTASKCLTZFVIET-UPJWGTAASA-N 0 3 350.419 -0.807 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC(=O)N(C)C2=O)CC1=O ZINC000572496478 484252900 /nfs/dbraw/zinc/25/29/00/484252900.db2.gz NTASKCLTZFVIET-XQQFMLRXSA-N 0 3 350.419 -0.807 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)C2=O)CC1=O ZINC000572496479 484253079 /nfs/dbraw/zinc/25/30/79/484253079.db2.gz NTASKCLTZFVIET-YNEHKIRRSA-N 0 3 350.419 -0.807 20 0 FBADHN Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)n2C ZINC000572501129 484293805 /nfs/dbraw/zinc/29/38/05/484293805.db2.gz PZYJIZOTKRRQPB-CYBMUJFWSA-N 0 3 358.446 -0.401 20 0 FBADHN Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)n2C ZINC000572501130 484293942 /nfs/dbraw/zinc/29/39/42/484293942.db2.gz PZYJIZOTKRRQPB-ZDUSSCGKSA-N 0 3 358.446 -0.401 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000572513823 483997074 /nfs/dbraw/zinc/99/70/74/483997074.db2.gz PJIOJPBCEWPSNF-HNNXBMFYSA-N 0 3 365.482 -0.607 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000572513824 483997002 /nfs/dbraw/zinc/99/70/02/483997002.db2.gz PJIOJPBCEWPSNF-OAHLLOKOSA-N 0 3 365.482 -0.607 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1C ZINC000572518302 484223453 /nfs/dbraw/zinc/22/34/53/484223453.db2.gz LLJHQHLZDBORAC-HNNXBMFYSA-N 0 3 355.464 -0.391 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn1C ZINC000572518303 484223746 /nfs/dbraw/zinc/22/37/46/484223746.db2.gz LLJHQHLZDBORAC-OAHLLOKOSA-N 0 3 355.464 -0.391 20 0 FBADHN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C)C[C@@H]1CN)C2=O ZINC000572519771 484286669 /nfs/dbraw/zinc/28/66/69/484286669.db2.gz VSIRNFLBDATTGV-JZLYGMAVSA-N 0 3 351.451 -0.412 20 0 FBADHN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C)C[C@H]1CN)C2=O ZINC000572519772 484285952 /nfs/dbraw/zinc/28/59/52/484285952.db2.gz VSIRNFLBDATTGV-UIORMTCPSA-N 0 3 351.451 -0.412 20 0 FBADHN CN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)[C@H](CN)C1CC1 ZINC000572521641 484285901 /nfs/dbraw/zinc/28/59/01/484285901.db2.gz OGAZVMGYMZVYTN-GFCCVEGCSA-N 0 3 362.415 -0.093 20 0 FBADHN CN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)[C@@H](CN)C1CC1 ZINC000572521642 484286281 /nfs/dbraw/zinc/28/62/81/484286281.db2.gz OGAZVMGYMZVYTN-LBPRGKRZSA-N 0 3 362.415 -0.093 20 0 FBADHN Cn1c2ncn(CCN3CCc4ccccc4[C@@H]3CN)c2c(=O)n(C)c1=O ZINC000572524500 484305987 /nfs/dbraw/zinc/30/59/87/484305987.db2.gz UESDTWHTFVDXOC-HNNXBMFYSA-N 0 3 368.441 -0.008 20 0 FBADHN Cn1c2ncn(CCN3CCc4ccccc4[C@H]3CN)c2c(=O)n(C)c1=O ZINC000572524501 484305210 /nfs/dbraw/zinc/30/52/10/484305210.db2.gz UESDTWHTFVDXOC-OAHLLOKOSA-N 0 3 368.441 -0.008 20 0 FBADHN NC(=O)Cn1cc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)ccc1=O ZINC000572534374 485030559 /nfs/dbraw/zinc/03/05/59/485030559.db2.gz ZGAPKZRBWGXCIH-IBGZPJMESA-N 0 3 370.409 -0.091 20 0 FBADHN NC(=O)Cn1cc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1=O ZINC000572534375 485029716 /nfs/dbraw/zinc/02/97/16/485029716.db2.gz ZGAPKZRBWGXCIH-LJQANCHMSA-N 0 3 370.409 -0.091 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000572536081 485042983 /nfs/dbraw/zinc/04/29/83/485042983.db2.gz LYIPFGHPYVZEED-UHFFFAOYSA-N 0 3 358.402 -0.211 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NCCN2CCCC2=O)Cc2ccccc2C1 ZINC000572539059 485065242 /nfs/dbraw/zinc/06/52/42/485065242.db2.gz UANPKHNCKOOPRP-UHFFFAOYSA-N 0 3 372.469 -0.060 20 0 FBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)ccc21 ZINC000572541011 485074530 /nfs/dbraw/zinc/07/45/30/485074530.db2.gz PSMHLKMEHWDPFO-IRXDYDNUSA-N 0 3 374.441 -0.541 20 0 FBADHN C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572543434 485085114 /nfs/dbraw/zinc/08/51/14/485085114.db2.gz HUZQJGJMYVMNNY-KGYLQXTDSA-N 0 3 350.444 -0.434 20 0 FBADHN C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572543435 485085530 /nfs/dbraw/zinc/08/55/30/485085530.db2.gz HUZQJGJMYVMNNY-RAIGVLPGSA-N 0 3 350.444 -0.434 20 0 FBADHN C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572543436 485085389 /nfs/dbraw/zinc/08/53/89/485085389.db2.gz HUZQJGJMYVMNNY-RTXFEEFZSA-N 0 3 350.444 -0.434 20 0 FBADHN C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572543437 485085608 /nfs/dbraw/zinc/08/56/08/485085608.db2.gz HUZQJGJMYVMNNY-WXHSDQCUSA-N 0 3 350.444 -0.434 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(-n4ccnc4)c3)CCN2C1=O ZINC000572543563 485084832 /nfs/dbraw/zinc/08/48/32/485084832.db2.gz OBBDLHONEBXVGF-CABCVRRESA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(-n4ccnc4)c3)CCN2C1=O ZINC000572543564 485084899 /nfs/dbraw/zinc/08/48/99/485084899.db2.gz OBBDLHONEBXVGF-GJZGRUSLSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(-n4ccnc4)c3)CCN2C1=O ZINC000572543565 485085376 /nfs/dbraw/zinc/08/53/76/485085376.db2.gz OBBDLHONEBXVGF-HUUCEWRRSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(-n4ccnc4)c3)CCN2C1=O ZINC000572543566 485084868 /nfs/dbraw/zinc/08/48/68/485084868.db2.gz OBBDLHONEBXVGF-LSDHHAIUSA-N 0 3 368.397 -0.419 20 0 FBADHN Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000572543787 485086148 /nfs/dbraw/zinc/08/61/48/485086148.db2.gz XRCMWTIPDJZAPT-CVEARBPZSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000572543788 485086854 /nfs/dbraw/zinc/08/68/54/485086854.db2.gz XRCMWTIPDJZAPT-HOTGVXAUSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000572543789 485086226 /nfs/dbraw/zinc/08/62/26/485086226.db2.gz XRCMWTIPDJZAPT-HZPDHXFCSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000572543790 485086350 /nfs/dbraw/zinc/08/63/50/485086350.db2.gz XRCMWTIPDJZAPT-JKSUJKDBSA-N 0 3 358.442 -0.267 20 0 FBADHN COc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1-n1cnnn1 ZINC000572557131 485143713 /nfs/dbraw/zinc/14/37/13/485143713.db2.gz ITDDYEQIJITOMY-LLVKDONJSA-N 0 3 361.406 -0.533 20 0 FBADHN COc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1-n1cnnn1 ZINC000572557132 485143718 /nfs/dbraw/zinc/14/37/18/485143718.db2.gz ITDDYEQIJITOMY-NSHDSACASA-N 0 3 361.406 -0.533 20 0 FBADHN CN1CCN(C(=O)C(=O)NCC(=O)N2CCCc3ccccc32)[C@@H](CN)C1 ZINC000572586994 485265455 /nfs/dbraw/zinc/26/54/55/485265455.db2.gz HBYSPLAIRFMSSM-HNNXBMFYSA-N 0 3 373.457 -0.817 20 0 FBADHN CN1CCN(C(=O)C(=O)NCC(=O)N2CCCc3ccccc32)[C@H](CN)C1 ZINC000572586995 485265444 /nfs/dbraw/zinc/26/54/44/485265444.db2.gz HBYSPLAIRFMSSM-OAHLLOKOSA-N 0 3 373.457 -0.817 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)s1 ZINC000572598585 485324383 /nfs/dbraw/zinc/32/43/83/485324383.db2.gz RLHDUQIVLBEFNP-LLVKDONJSA-N 0 3 374.488 -0.469 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)s1 ZINC000572598586 485324407 /nfs/dbraw/zinc/32/44/07/485324407.db2.gz RLHDUQIVLBEFNP-NSHDSACASA-N 0 3 374.488 -0.469 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572603992 484146667 /nfs/dbraw/zinc/14/66/67/484146667.db2.gz AUKWCYUXWFXLLJ-GHMZBOCLSA-N 0 3 356.400 -0.382 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572603993 484146650 /nfs/dbraw/zinc/14/66/50/484146650.db2.gz AUKWCYUXWFXLLJ-MNOVXSKESA-N 0 3 356.400 -0.382 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572603994 484145798 /nfs/dbraw/zinc/14/57/98/484145798.db2.gz AUKWCYUXWFXLLJ-QWRGUYRKSA-N 0 3 356.400 -0.382 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572603995 484146344 /nfs/dbraw/zinc/14/63/44/484146344.db2.gz AUKWCYUXWFXLLJ-WDEREUQCSA-N 0 3 356.400 -0.382 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000572605851 485324578 /nfs/dbraw/zinc/32/45/78/485324578.db2.gz FMHQTKHEURDAMB-HNNXBMFYSA-N 0 3 352.479 -0.402 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000572605852 485324870 /nfs/dbraw/zinc/32/48/70/485324870.db2.gz FMHQTKHEURDAMB-OAHLLOKOSA-N 0 3 352.479 -0.402 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000572606180 484164759 /nfs/dbraw/zinc/16/47/59/484164759.db2.gz ILZVCVFSBOTUNY-GFCCVEGCSA-N 0 3 361.489 -0.338 20 0 FBADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000572606181 484164945 /nfs/dbraw/zinc/16/49/45/484164945.db2.gz ILZVCVFSBOTUNY-LBPRGKRZSA-N 0 3 361.489 -0.338 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000572608071 484197876 /nfs/dbraw/zinc/19/78/76/484197876.db2.gz SVYUWJDWOHXVAR-CYBMUJFWSA-N 0 3 363.418 -0.737 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000572608072 484197449 /nfs/dbraw/zinc/19/74/49/484197449.db2.gz SVYUWJDWOHXVAR-ZDUSSCGKSA-N 0 3 363.418 -0.737 20 0 FBADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000572613592 483650974 /nfs/dbraw/zinc/65/09/74/483650974.db2.gz HKDGMSWNIRVIAJ-APIJFGDWSA-N 0 3 374.503 -0.070 20 0 FBADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000572613593 483651407 /nfs/dbraw/zinc/65/14/07/483651407.db2.gz HKDGMSWNIRVIAJ-CBBWQLFWSA-N 0 3 374.503 -0.070 20 0 FBADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000572613594 483651166 /nfs/dbraw/zinc/65/11/66/483651166.db2.gz HKDGMSWNIRVIAJ-LJISPDSOSA-N 0 3 374.503 -0.070 20 0 FBADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000572613595 483651144 /nfs/dbraw/zinc/65/11/44/483651144.db2.gz HKDGMSWNIRVIAJ-ZQDZILKHSA-N 0 3 374.503 -0.070 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1C(=O)NC2(CCCC2)C1=O ZINC000572617682 483800943 /nfs/dbraw/zinc/80/09/43/483800943.db2.gz DXGOPRIJLCTBIM-GRYCIOLGSA-N 0 3 363.418 -0.990 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1C(=O)NC2(CCCC2)C1=O ZINC000572617683 483801039 /nfs/dbraw/zinc/80/10/39/483801039.db2.gz DXGOPRIJLCTBIM-IJLUTSLNSA-N 0 3 363.418 -0.990 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1C(=O)NC2(CCCC2)C1=O ZINC000572617684 483800952 /nfs/dbraw/zinc/80/09/52/483800952.db2.gz DXGOPRIJLCTBIM-UTUOFQBUSA-N 0 3 363.418 -0.990 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1C(=O)NC2(CCCC2)C1=O ZINC000572617685 483800897 /nfs/dbraw/zinc/80/08/97/483800897.db2.gz DXGOPRIJLCTBIM-WOPDTQHZSA-N 0 3 363.418 -0.990 20 0 FBADHN Cc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)sc1C ZINC000572618744 485324589 /nfs/dbraw/zinc/32/45/89/485324589.db2.gz GQWHAOZVKVMBPW-GHMZBOCLSA-N 0 3 351.432 -0.853 20 0 FBADHN Cc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)sc1C ZINC000572618745 485324463 /nfs/dbraw/zinc/32/44/63/485324463.db2.gz GQWHAOZVKVMBPW-MNOVXSKESA-N 0 3 351.432 -0.853 20 0 FBADHN Cc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)sc1C ZINC000572618746 485324939 /nfs/dbraw/zinc/32/49/39/485324939.db2.gz GQWHAOZVKVMBPW-QWRGUYRKSA-N 0 3 351.432 -0.853 20 0 FBADHN Cc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)sc1C ZINC000572618747 485324321 /nfs/dbraw/zinc/32/43/21/485324321.db2.gz GQWHAOZVKVMBPW-WDEREUQCSA-N 0 3 351.432 -0.853 20 0 FBADHN COc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572618894 483846099 /nfs/dbraw/zinc/84/60/99/483846099.db2.gz RCJDTBINXYWLNJ-KBPBESRZSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572618897 483846008 /nfs/dbraw/zinc/84/60/08/483846008.db2.gz RCJDTBINXYWLNJ-KGLIPLIRSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572618975 483871187 /nfs/dbraw/zinc/87/11/87/483871187.db2.gz RCJDTBINXYWLNJ-UONOGXRCSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572618976 483871770 /nfs/dbraw/zinc/87/17/70/483871770.db2.gz RCJDTBINXYWLNJ-ZIAGYGMSSA-N 0 3 360.414 -0.610 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000572619570 483923611 /nfs/dbraw/zinc/92/36/11/483923611.db2.gz CEXUXFHFTNWFTI-HNNXBMFYSA-N 0 3 360.524 -0.246 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000572619571 483923803 /nfs/dbraw/zinc/92/38/03/483923803.db2.gz CEXUXFHFTNWFTI-OAHLLOKOSA-N 0 3 360.524 -0.246 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCc3nc(C)ncc3C2)CC1 ZINC000572624942 485324955 /nfs/dbraw/zinc/32/49/55/485324955.db2.gz UMSHIANMLGUDNR-UHFFFAOYSA-N 0 3 361.446 -0.103 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2CCOCC2)cc1 ZINC000572631520 485324530 /nfs/dbraw/zinc/32/45/30/485324530.db2.gz XJJBLNTZMIPVSJ-HNNXBMFYSA-N 0 3 357.476 -0.444 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)CN2CCOCC2)cc1 ZINC000572631521 485324658 /nfs/dbraw/zinc/32/46/58/485324658.db2.gz XJJBLNTZMIPVSJ-OAHLLOKOSA-N 0 3 357.476 -0.444 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCN2CC(C)C)C1 ZINC000572633209 484149857 /nfs/dbraw/zinc/14/98/57/484149857.db2.gz FNVPJUOWWRONKS-UONOGXRCSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCN2CC(C)C)C1 ZINC000572633210 484149617 /nfs/dbraw/zinc/14/96/17/484149617.db2.gz FNVPJUOWWRONKS-ZIAGYGMSSA-N 0 3 353.467 -0.247 20 0 FBADHN Cc1cc(N2CCC(NC(=O)C(=O)NCCOCCN(C)C)CC2)n[nH]1 ZINC000572634144 485325406 /nfs/dbraw/zinc/32/54/06/485325406.db2.gz IFNRQMGJGQBGSV-UHFFFAOYSA-N 0 3 366.466 -0.502 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C(N)=O)o2)CC1=O ZINC000572637842 485325751 /nfs/dbraw/zinc/32/57/51/485325751.db2.gz YPKVZKBTTKXPDK-LLVKDONJSA-N 0 3 352.391 -0.713 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)CC1=O ZINC000572637843 485325702 /nfs/dbraw/zinc/32/57/02/485325702.db2.gz YPKVZKBTTKXPDK-NSHDSACASA-N 0 3 352.391 -0.713 20 0 FBADHN CS[C@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@H]1N(C)C ZINC000572656905 484237327 /nfs/dbraw/zinc/23/73/27/484237327.db2.gz XZUQTFHYEBDIQF-NEPJUHHUSA-N 0 3 355.512 -0.578 20 0 FBADHN CS[C@@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@@H]1N(C)C ZINC000572656908 484237605 /nfs/dbraw/zinc/23/76/05/484237605.db2.gz XZUQTFHYEBDIQF-NWDGAFQWSA-N 0 3 355.512 -0.578 20 0 FBADHN CS[C@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@@H]1N(C)C ZINC000572656909 484237040 /nfs/dbraw/zinc/23/70/40/484237040.db2.gz XZUQTFHYEBDIQF-RYUDHWBXSA-N 0 3 355.512 -0.578 20 0 FBADHN CS[C@@H]1CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@H]1N(C)C ZINC000572656910 484237196 /nfs/dbraw/zinc/23/71/96/484237196.db2.gz XZUQTFHYEBDIQF-VXGBXAGGSA-N 0 3 355.512 -0.578 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CCN2C1=O ZINC000572662971 483488929 /nfs/dbraw/zinc/48/89/29/483488929.db2.gz BLJMUQQYYHXHPC-FPCVCCKLSA-N 0 3 365.478 -0.417 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CCN2C1=O ZINC000572662972 483490586 /nfs/dbraw/zinc/49/05/86/483490586.db2.gz BLJMUQQYYHXHPC-KLHDSHLOSA-N 0 3 365.478 -0.417 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CCN2C1=O ZINC000572662973 483490287 /nfs/dbraw/zinc/49/02/87/483490287.db2.gz BLJMUQQYYHXHPC-LVQVYYBASA-N 0 3 365.478 -0.417 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CCN2C1=O ZINC000572662974 483492129 /nfs/dbraw/zinc/49/21/29/483492129.db2.gz BLJMUQQYYHXHPC-WCVJEAGWSA-N 0 3 365.478 -0.417 20 0 FBADHN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000572663426 485325513 /nfs/dbraw/zinc/32/55/13/485325513.db2.gz OYZVNRUNMYZVEG-AWEZNQCLSA-N 0 3 362.434 -0.867 20 0 FBADHN CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000572663426 485325507 /nfs/dbraw/zinc/32/55/07/485325507.db2.gz OYZVNRUNMYZVEG-AWEZNQCLSA-N 0 3 362.434 -0.867 20 0 FBADHN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000572663427 485325656 /nfs/dbraw/zinc/32/56/56/485325656.db2.gz OYZVNRUNMYZVEG-CQSZACIVSA-N 0 3 362.434 -0.867 20 0 FBADHN CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000572663427 485325654 /nfs/dbraw/zinc/32/56/54/485325654.db2.gz OYZVNRUNMYZVEG-CQSZACIVSA-N 0 3 362.434 -0.867 20 0 FBADHN CCOC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000572663489 485325249 /nfs/dbraw/zinc/32/52/49/485325249.db2.gz QFFPLSZNLVABAR-KBPBESRZSA-N 0 3 374.397 -0.428 20 0 FBADHN CCOC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000572663490 485325261 /nfs/dbraw/zinc/32/52/61/485325261.db2.gz QFFPLSZNLVABAR-KGLIPLIRSA-N 0 3 374.397 -0.428 20 0 FBADHN CCOC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000572663491 485325254 /nfs/dbraw/zinc/32/52/54/485325254.db2.gz QFFPLSZNLVABAR-UONOGXRCSA-N 0 3 374.397 -0.428 20 0 FBADHN CCOC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000572663492 485325234 /nfs/dbraw/zinc/32/52/34/485325234.db2.gz QFFPLSZNLVABAR-ZIAGYGMSSA-N 0 3 374.397 -0.428 20 0 FBADHN Cc1cccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000572663839 483920896 /nfs/dbraw/zinc/92/08/96/483920896.db2.gz XUJBDBHPSJOIFW-DZGCQCFKSA-N 0 3 360.414 -0.740 20 0 FBADHN Cc1cccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000572663840 483922725 /nfs/dbraw/zinc/92/27/25/483922725.db2.gz XUJBDBHPSJOIFW-HIFRSBDPSA-N 0 3 360.414 -0.740 20 0 FBADHN Cc1cccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000572663841 483921903 /nfs/dbraw/zinc/92/19/03/483921903.db2.gz XUJBDBHPSJOIFW-UKRRQHHQSA-N 0 3 360.414 -0.740 20 0 FBADHN Cc1cccc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000572663842 483922088 /nfs/dbraw/zinc/92/20/88/483922088.db2.gz XUJBDBHPSJOIFW-ZFWWWQNUSA-N 0 3 360.414 -0.740 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC(C)(CO)CO)c2)CC1 ZINC000572682177 485326800 /nfs/dbraw/zinc/32/68/00/485326800.db2.gz AWHQBDWZQAXIBN-UHFFFAOYSA-N 0 3 364.446 -0.374 20 0 FBADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000572690601 485326443 /nfs/dbraw/zinc/32/64/43/485326443.db2.gz SQPIQRXOOHEPJF-KRWDZBQOSA-N 0 3 364.402 -0.223 20 0 FBADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000572690602 485326665 /nfs/dbraw/zinc/32/66/65/485326665.db2.gz SQPIQRXOOHEPJF-QGZVFWFLSA-N 0 3 364.402 -0.223 20 0 FBADHN CN1CCC(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)(N2CCOCC2)CC1 ZINC000572701186 485326173 /nfs/dbraw/zinc/32/61/73/485326173.db2.gz XRQGFPJEDOJNRW-HNNXBMFYSA-N 0 3 364.490 -0.090 20 0 FBADHN CN1CCC(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)(N2CCOCC2)CC1 ZINC000572701187 485326378 /nfs/dbraw/zinc/32/63/78/485326378.db2.gz XRQGFPJEDOJNRW-OAHLLOKOSA-N 0 3 364.490 -0.090 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@@H](CN)C1 ZINC000572706058 485326043 /nfs/dbraw/zinc/32/60/43/485326043.db2.gz TXDNVBHHUDNCLK-MSOLQXFVSA-N 0 3 373.501 -0.132 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@H](CN)C1 ZINC000572706059 485326765 /nfs/dbraw/zinc/32/67/65/485326765.db2.gz TXDNVBHHUDNCLK-QZTJIDSGSA-N 0 3 373.501 -0.132 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@@H](CN)C1 ZINC000572706060 485326700 /nfs/dbraw/zinc/32/67/00/485326700.db2.gz TXDNVBHHUDNCLK-ROUUACIJSA-N 0 3 373.501 -0.132 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@H](CN)C1 ZINC000572706061 485326788 /nfs/dbraw/zinc/32/67/88/485326788.db2.gz TXDNVBHHUDNCLK-ZWKOTPCHSA-N 0 3 373.501 -0.132 20 0 FBADHN CCOC1CC(CNC(=O)[C@@H]2CN3CCN2CCC3)(N2CCOCC2)C1 ZINC000572706184 485326859 /nfs/dbraw/zinc/32/68/59/485326859.db2.gz OZDHNGKXUZDHJA-HFCFLWKCSA-N 0 3 366.506 -0.238 20 0 FBADHN CCOC1CC(CNC(=O)[C@H]2CN3CCN2CCC3)(N2CCOCC2)C1 ZINC000572706185 485326902 /nfs/dbraw/zinc/32/69/02/485326902.db2.gz OZDHNGKXUZDHJA-TVRKMHQQSA-N 0 3 366.506 -0.238 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000572707410 485326828 /nfs/dbraw/zinc/32/68/28/485326828.db2.gz PBJUHUMANMFNIP-AWEZNQCLSA-N 0 3 352.435 -0.953 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000572707411 485326390 /nfs/dbraw/zinc/32/63/90/485326390.db2.gz PBJUHUMANMFNIP-CQSZACIVSA-N 0 3 352.435 -0.953 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC000572716518 485326720 /nfs/dbraw/zinc/32/67/20/485326720.db2.gz WWHKKXHUCYROOK-CABCVRRESA-N 0 3 365.478 -0.056 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC000572716519 485326478 /nfs/dbraw/zinc/32/64/78/485326478.db2.gz WWHKKXHUCYROOK-GJZGRUSLSA-N 0 3 365.478 -0.056 20 0 FBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC000572716520 485326254 /nfs/dbraw/zinc/32/62/54/485326254.db2.gz WWHKKXHUCYROOK-HUUCEWRRSA-N 0 3 365.478 -0.056 20 0 FBADHN CC(C)N1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC000572716521 485326183 /nfs/dbraw/zinc/32/61/83/485326183.db2.gz WWHKKXHUCYROOK-LSDHHAIUSA-N 0 3 365.478 -0.056 20 0 FBADHN O=C(CNC1CC1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000572717750 485326500 /nfs/dbraw/zinc/32/65/00/485326500.db2.gz BBQOZONFSSFJIS-UHFFFAOYSA-N 0 3 367.475 -0.598 20 0 FBADHN NC[C@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(F)cc1 ZINC000572718708 484080223 /nfs/dbraw/zinc/08/02/23/484080223.db2.gz STGBQNPFFBVOHP-AWEZNQCLSA-N 0 3 358.439 -0.699 20 0 FBADHN NC[C@@H](C(=O)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(F)cc1 ZINC000572718709 484080689 /nfs/dbraw/zinc/08/06/89/484080689.db2.gz STGBQNPFFBVOHP-CQSZACIVSA-N 0 3 358.439 -0.699 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(N)C(F)(F)F)CC2)cn1C ZINC000572719014 484080378 /nfs/dbraw/zinc/08/03/78/484080378.db2.gz CSLPIJKEOCVKFW-JTQLQIEISA-N 0 3 369.369 -0.549 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(N)C(F)(F)F)CC2)cn1C ZINC000572719015 484079741 /nfs/dbraw/zinc/07/97/41/484079741.db2.gz CSLPIJKEOCVKFW-SNVBAGLBSA-N 0 3 369.369 -0.549 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572723634 485327736 /nfs/dbraw/zinc/32/77/36/485327736.db2.gz SOBWZDWHMGYSAF-ABAIWWIYSA-N 0 3 369.443 -0.563 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572723635 485327324 /nfs/dbraw/zinc/32/73/24/485327324.db2.gz SOBWZDWHMGYSAF-NHYWBVRUSA-N 0 3 369.443 -0.563 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000572726067 485327683 /nfs/dbraw/zinc/32/76/83/485327683.db2.gz HUEOQSNOKWHCSI-RDJZCZTQSA-N 0 3 353.511 -0.287 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000572726068 485327600 /nfs/dbraw/zinc/32/76/00/485327600.db2.gz HUEOQSNOKWHCSI-WBVHZDCISA-N 0 3 353.511 -0.287 20 0 FBADHN C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@@H](CO)O1 ZINC000572731095 485327406 /nfs/dbraw/zinc/32/74/06/485327406.db2.gz RNXILUBTNRDPBG-CVEARBPZSA-N 0 3 370.494 -0.426 20 0 FBADHN C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@@H](CO)O1 ZINC000572731096 485327690 /nfs/dbraw/zinc/32/76/90/485327690.db2.gz RNXILUBTNRDPBG-HOTGVXAUSA-N 0 3 370.494 -0.426 20 0 FBADHN C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@H](CO)O1 ZINC000572731097 485327359 /nfs/dbraw/zinc/32/73/59/485327359.db2.gz RNXILUBTNRDPBG-HZPDHXFCSA-N 0 3 370.494 -0.426 20 0 FBADHN C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@H](CO)O1 ZINC000572731098 485327697 /nfs/dbraw/zinc/32/76/97/485327697.db2.gz RNXILUBTNRDPBG-JKSUJKDBSA-N 0 3 370.494 -0.426 20 0 FBADHN COc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000572735580 485327214 /nfs/dbraw/zinc/32/72/14/485327214.db2.gz ZFYKNSWJKQDNRX-LLVKDONJSA-N 0 3 371.459 -0.105 20 0 FBADHN COc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000572735581 485327613 /nfs/dbraw/zinc/32/76/13/485327613.db2.gz ZFYKNSWJKQDNRX-NSHDSACASA-N 0 3 371.459 -0.105 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)s3)CCN2C1=O ZINC000572737249 485327192 /nfs/dbraw/zinc/32/71/92/485327192.db2.gz VJTZUBAXLICNJD-PSASIEDQSA-N 0 3 356.835 -0.212 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)s3)CCN2C1=O ZINC000572737250 485327252 /nfs/dbraw/zinc/32/72/52/485327252.db2.gz VJTZUBAXLICNJD-SCZZXKLOSA-N 0 3 356.835 -0.212 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)s3)CCN2C1=O ZINC000572737251 485327373 /nfs/dbraw/zinc/32/73/73/485327373.db2.gz VJTZUBAXLICNJD-WCBMZHEXSA-N 0 3 356.835 -0.212 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)s3)CCN2C1=O ZINC000572737252 485327662 /nfs/dbraw/zinc/32/76/62/485327662.db2.gz VJTZUBAXLICNJD-WPRPVWTQSA-N 0 3 356.835 -0.212 20 0 FBADHN O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCCNCC1 ZINC000572739939 485327795 /nfs/dbraw/zinc/32/77/95/485327795.db2.gz UUKFGBKIFFRNHM-UHFFFAOYSA-N 0 3 352.479 -0.040 20 0 FBADHN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)N3C)CC2 ZINC000572740240 485327424 /nfs/dbraw/zinc/32/74/24/485327424.db2.gz MKNOVQYYODUCHH-KFWWJZLASA-N 0 3 360.462 -0.040 20 0 FBADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)N3C)CC2 ZINC000572740241 485327779 /nfs/dbraw/zinc/32/77/79/485327779.db2.gz MKNOVQYYODUCHH-ZNMIVQPWSA-N 0 3 360.462 -0.040 20 0 FBADHN O=C(NCCCn1ccnn1)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000572743549 485327393 /nfs/dbraw/zinc/32/73/93/485327393.db2.gz ASGCFKDQZYVLLR-UHFFFAOYSA-N 0 3 364.450 -0.454 20 0 FBADHN COCCOCC(=O)NC1CCC(C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000572760315 484187220 /nfs/dbraw/zinc/18/72/20/484187220.db2.gz NKLIDFOSADAXBK-GPANFISMSA-N 0 3 370.494 -0.574 20 0 FBADHN COCCOCC(=O)NC1CCC(C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000572760316 484187832 /nfs/dbraw/zinc/18/78/32/484187832.db2.gz NKLIDFOSADAXBK-UYSNPLJNSA-N 0 3 370.494 -0.574 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CNCCC2(F)F)cn1C ZINC000572761144 484190705 /nfs/dbraw/zinc/19/07/05/484190705.db2.gz ZFBAGRHDFRHSNK-SECBINFHSA-N 0 3 351.379 -0.880 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CNCCC2(F)F)cn1C ZINC000572761145 484190617 /nfs/dbraw/zinc/19/06/17/484190617.db2.gz ZFBAGRHDFRHSNK-VIFPVBQESA-N 0 3 351.379 -0.880 20 0 FBADHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000572761890 485328591 /nfs/dbraw/zinc/32/85/91/485328591.db2.gz LQFQCTDSKHAGSW-JTQLQIEISA-N 0 3 365.452 -0.589 20 0 FBADHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000572761891 485328274 /nfs/dbraw/zinc/32/82/74/485328274.db2.gz LQFQCTDSKHAGSW-SNVBAGLBSA-N 0 3 365.452 -0.589 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000572763278 485328626 /nfs/dbraw/zinc/32/86/26/485328626.db2.gz VWBUSOZKNWOCMF-AWEZNQCLSA-N 0 3 357.370 -0.526 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000572763281 485328145 /nfs/dbraw/zinc/32/81/45/485328145.db2.gz VWBUSOZKNWOCMF-CQSZACIVSA-N 0 3 357.370 -0.526 20 0 FBADHN CN(C)S(=O)(=O)NCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000572776703 485328657 /nfs/dbraw/zinc/32/86/57/485328657.db2.gz UGIWHEYJELXSOV-HNNXBMFYSA-N 0 3 369.491 -0.194 20 0 FBADHN CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000572776704 484225175 /nfs/dbraw/zinc/22/51/75/484225175.db2.gz UGIWHEYJELXSOV-OAHLLOKOSA-N 0 3 369.491 -0.194 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000572781341 485328236 /nfs/dbraw/zinc/32/82/36/485328236.db2.gz LANQBIQYKRMQJJ-GXTWGEPZSA-N 0 3 366.443 -0.679 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000572781342 485329026 /nfs/dbraw/zinc/32/90/26/485329026.db2.gz LANQBIQYKRMQJJ-JSGCOSHPSA-N 0 3 366.443 -0.679 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000572781343 485328986 /nfs/dbraw/zinc/32/89/86/485328986.db2.gz LANQBIQYKRMQJJ-OCCSQVGLSA-N 0 3 366.443 -0.679 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000572781344 484239320 /nfs/dbraw/zinc/23/93/20/484239320.db2.gz LANQBIQYKRMQJJ-TZMCWYRMSA-N 0 3 366.443 -0.679 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4nccnc4c3)CCN2C1=O ZINC000572781952 485329499 /nfs/dbraw/zinc/32/94/99/485329499.db2.gz DMCXZOOWLCWCFY-NEPJUHHUSA-N 0 3 354.370 -0.661 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4nccnc4c3)CCN2C1=O ZINC000572781953 485328971 /nfs/dbraw/zinc/32/89/71/485328971.db2.gz DMCXZOOWLCWCFY-NWDGAFQWSA-N 0 3 354.370 -0.661 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4nccnc4c3)CCN2C1=O ZINC000572781954 485329064 /nfs/dbraw/zinc/32/90/64/485329064.db2.gz DMCXZOOWLCWCFY-RYUDHWBXSA-N 0 3 354.370 -0.661 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4nccnc4c3)CCN2C1=O ZINC000572781955 485329638 /nfs/dbraw/zinc/32/96/38/485329638.db2.gz DMCXZOOWLCWCFY-VXGBXAGGSA-N 0 3 354.370 -0.661 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000572785965 485329536 /nfs/dbraw/zinc/32/95/36/485329536.db2.gz GWNRMMUZVFSDQK-CVEARBPZSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCO[C@H]2C2CC2)CC1 ZINC000572785966 485329357 /nfs/dbraw/zinc/32/93/57/485329357.db2.gz GWNRMMUZVFSDQK-HOTGVXAUSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000572785967 485328957 /nfs/dbraw/zinc/32/89/57/485328957.db2.gz GWNRMMUZVFSDQK-HZPDHXFCSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000572785968 485329122 /nfs/dbraw/zinc/32/91/22/485329122.db2.gz GWNRMMUZVFSDQK-JKSUJKDBSA-N 0 3 352.479 -0.186 20 0 FBADHN Cc1cc(C)n(CC(=O)NCC(=O)NCCN2CCCCCC2)c(=O)n1 ZINC000572790998 484252288 /nfs/dbraw/zinc/25/22/88/484252288.db2.gz ZQNPFBKMJOZFBV-UHFFFAOYSA-N 0 3 363.462 -0.031 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000572801657 485329553 /nfs/dbraw/zinc/32/95/53/485329553.db2.gz XHLLZGMLYZUJFT-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000572801658 485329560 /nfs/dbraw/zinc/32/95/60/485329560.db2.gz XHLLZGMLYZUJFT-OLZOCXBDSA-N 0 3 360.480 -0.921 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000572818988 485329094 /nfs/dbraw/zinc/32/90/94/485329094.db2.gz VIFMLNRZGZOJDN-AWEZNQCLSA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000572818989 485329663 /nfs/dbraw/zinc/32/96/63/485329663.db2.gz VIFMLNRZGZOJDN-CQSZACIVSA-N 0 3 367.494 -0.744 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000572822698 485329653 /nfs/dbraw/zinc/32/96/53/485329653.db2.gz NOTCTIZKYZTDKU-GOSISDBHSA-N 0 3 374.397 -0.840 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000572822699 485329228 /nfs/dbraw/zinc/32/92/28/485329228.db2.gz NOTCTIZKYZTDKU-SFHVURJKSA-N 0 3 374.397 -0.840 20 0 FBADHN COC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C ZINC000572856672 485330852 /nfs/dbraw/zinc/33/08/52/485330852.db2.gz DVBDPJPYYBICTE-AAEUAGOBSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C ZINC000572856673 485331317 /nfs/dbraw/zinc/33/13/17/485331317.db2.gz DVBDPJPYYBICTE-DGCLKSJQSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C ZINC000572856674 485330986 /nfs/dbraw/zinc/33/09/86/485330986.db2.gz DVBDPJPYYBICTE-WCQYABFASA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1C ZINC000572856675 485331240 /nfs/dbraw/zinc/33/12/40/485331240.db2.gz DVBDPJPYYBICTE-YPMHNXCESA-N 0 3 367.427 -0.286 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CCN2C1=O ZINC000572856923 485330710 /nfs/dbraw/zinc/33/07/10/485330710.db2.gz IKMYPJWWYXLNHM-ARFHVFGLSA-N 0 3 372.425 -0.816 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CCN2C1=O ZINC000572856924 485331118 /nfs/dbraw/zinc/33/11/18/485331118.db2.gz IKMYPJWWYXLNHM-BZUAXINKSA-N 0 3 372.425 -0.816 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)CCN2C1=O ZINC000572856925 485330834 /nfs/dbraw/zinc/33/08/34/485330834.db2.gz IKMYPJWWYXLNHM-OAGGEKHMSA-N 0 3 372.425 -0.816 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)CCN2C1=O ZINC000572856926 485331090 /nfs/dbraw/zinc/33/10/90/485331090.db2.gz IKMYPJWWYXLNHM-XHSDSOJGSA-N 0 3 372.425 -0.816 20 0 FBADHN CCN1CCC(NC(=O)CN(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000572865193 485330723 /nfs/dbraw/zinc/33/07/23/485330723.db2.gz GFOLOKJDTSUYOD-HNNXBMFYSA-N 0 3 361.508 -0.278 20 0 FBADHN CCN1CCC(NC(=O)CN(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000572865194 485331143 /nfs/dbraw/zinc/33/11/43/485331143.db2.gz GFOLOKJDTSUYOD-OAHLLOKOSA-N 0 3 361.508 -0.278 20 0 FBADHN O=C(CCNC(=O)[C@@H]1CNCc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000572874211 485330949 /nfs/dbraw/zinc/33/09/49/485330949.db2.gz YOBKUMWKRHVNBF-DZGCQCFKSA-N 0 3 365.455 -0.317 20 0 FBADHN O=C(CCNC(=O)[C@H]1CNCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000572874212 485330880 /nfs/dbraw/zinc/33/08/80/485330880.db2.gz YOBKUMWKRHVNBF-HIFRSBDPSA-N 0 3 365.455 -0.317 20 0 FBADHN O=C(CCNC(=O)[C@@H]1CNCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000572874213 485330846 /nfs/dbraw/zinc/33/08/46/485330846.db2.gz YOBKUMWKRHVNBF-UKRRQHHQSA-N 0 3 365.455 -0.317 20 0 FBADHN O=C(CCNC(=O)[C@H]1CNCc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000572874214 485330829 /nfs/dbraw/zinc/33/08/29/485330829.db2.gz YOBKUMWKRHVNBF-ZFWWWQNUSA-N 0 3 365.455 -0.317 20 0 FBADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000572878638 485330941 /nfs/dbraw/zinc/33/09/41/485330941.db2.gz VGYLTACGZLKZLE-CYBMUJFWSA-N 0 3 357.432 -0.671 20 0 FBADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000572878639 485331046 /nfs/dbraw/zinc/33/10/46/485331046.db2.gz VGYLTACGZLKZLE-ZDUSSCGKSA-N 0 3 357.432 -0.671 20 0 FBADHN COC(=O)COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000572884626 485331927 /nfs/dbraw/zinc/33/19/27/485331927.db2.gz NMRYLJBSDXEOIT-GFCCVEGCSA-N 0 3 357.432 -0.498 20 0 FBADHN COC(=O)COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000572884627 485331573 /nfs/dbraw/zinc/33/15/73/485331573.db2.gz NMRYLJBSDXEOIT-LBPRGKRZSA-N 0 3 357.432 -0.498 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)CN(C)C3CC3)CC2)cn1C ZINC000572890118 485331872 /nfs/dbraw/zinc/33/18/72/485331872.db2.gz OUUHSSSOCGQVRJ-HNNXBMFYSA-N 0 3 371.507 -0.510 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)CN(C)C3CC3)CC2)cn1C ZINC000572890119 485331858 /nfs/dbraw/zinc/33/18/58/485331858.db2.gz OUUHSSSOCGQVRJ-OAHLLOKOSA-N 0 3 371.507 -0.510 20 0 FBADHN CN(C)CCn1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)n1 ZINC000572897871 485331658 /nfs/dbraw/zinc/33/16/58/485331658.db2.gz ZHBDUYACSAIFEF-UHFFFAOYSA-N 0 3 366.447 -0.452 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)CCN2C1=O ZINC000572900530 485331766 /nfs/dbraw/zinc/33/17/66/485331766.db2.gz HXZOOVMNLMEGMY-GXTWGEPZSA-N 0 3 367.409 -0.273 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)CCN2C1=O ZINC000572900531 485331710 /nfs/dbraw/zinc/33/17/10/485331710.db2.gz HXZOOVMNLMEGMY-JSGCOSHPSA-N 0 3 367.409 -0.273 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)CCN2C1=O ZINC000572900532 485331759 /nfs/dbraw/zinc/33/17/59/485331759.db2.gz HXZOOVMNLMEGMY-OCCSQVGLSA-N 0 3 367.409 -0.273 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)CCN2C1=O ZINC000572900533 485331567 /nfs/dbraw/zinc/33/15/67/485331567.db2.gz HXZOOVMNLMEGMY-TZMCWYRMSA-N 0 3 367.409 -0.273 20 0 FBADHN CC(C)c1ncsc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572901149 485332059 /nfs/dbraw/zinc/33/20/59/485332059.db2.gz ZWWPVBSNNMTBAU-NXEZZACHSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1ncsc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572901150 485331653 /nfs/dbraw/zinc/33/16/53/485331653.db2.gz ZWWPVBSNNMTBAU-UWVGGRQHSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1ncsc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572901151 485331633 /nfs/dbraw/zinc/33/16/33/485331633.db2.gz ZWWPVBSNNMTBAU-VHSXEESVSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1ncsc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572901152 485331644 /nfs/dbraw/zinc/33/16/44/485331644.db2.gz ZWWPVBSNNMTBAU-ZJUUUORDSA-N 0 3 351.432 -0.025 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000572920822 485332409 /nfs/dbraw/zinc/33/24/09/485332409.db2.gz MIAXPOFXQAUAKD-KGLIPLIRSA-N 0 3 372.491 -0.777 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000572920823 485332794 /nfs/dbraw/zinc/33/27/94/485332794.db2.gz MIAXPOFXQAUAKD-ZIAGYGMSSA-N 0 3 372.491 -0.777 20 0 FBADHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)NCCN(C)C ZINC000572921285 485332476 /nfs/dbraw/zinc/33/24/76/485332476.db2.gz DEULBCUUDSMDDL-NXEZZACHSA-N 0 3 352.357 -0.420 20 0 FBADHN C[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)NCCN(C)C ZINC000572921286 485332841 /nfs/dbraw/zinc/33/28/41/485332841.db2.gz DEULBCUUDSMDDL-UWVGGRQHSA-N 0 3 352.357 -0.420 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)NCCN(C)C ZINC000572921287 485332653 /nfs/dbraw/zinc/33/26/53/485332653.db2.gz DEULBCUUDSMDDL-VHSXEESVSA-N 0 3 352.357 -0.420 20 0 FBADHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)NCCN(C)C ZINC000572921288 485332803 /nfs/dbraw/zinc/33/28/03/485332803.db2.gz DEULBCUUDSMDDL-ZJUUUORDSA-N 0 3 352.357 -0.420 20 0 FBADHN CCn1nccc1CN(CCO)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000572942812 485332828 /nfs/dbraw/zinc/33/28/28/485332828.db2.gz MZJYKSNISVVOHY-UHFFFAOYSA-N 0 3 363.462 -0.033 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(N3CCC3=O)c2)[C@@H](CN)C1 ZINC000572944910 485332888 /nfs/dbraw/zinc/33/28/88/485332888.db2.gz XTZJVZOUXQMXBA-HNNXBMFYSA-N 0 3 359.430 -0.859 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(N3CCC3=O)c2)[C@H](CN)C1 ZINC000572944911 485332980 /nfs/dbraw/zinc/33/29/80/485332980.db2.gz XTZJVZOUXQMXBA-OAHLLOKOSA-N 0 3 359.430 -0.859 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC(=O)N(C2CC2)C1 ZINC000572946517 485332645 /nfs/dbraw/zinc/33/26/45/485332645.db2.gz MLKIXGZXJVTFAY-AWEZNQCLSA-N 0 3 351.451 -0.097 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC(=O)N(C2CC2)C1 ZINC000572946518 485332600 /nfs/dbraw/zinc/33/26/00/485332600.db2.gz MLKIXGZXJVTFAY-CQSZACIVSA-N 0 3 351.451 -0.097 20 0 FBADHN CCNC(=O)COc1cccc(CNC[C@H](O)CN2CCN(C)CC2)c1 ZINC000572952880 485333951 /nfs/dbraw/zinc/33/39/51/485333951.db2.gz NTUIKHSDCAFCRV-KRWDZBQOSA-N 0 3 364.490 -0.101 20 0 FBADHN CCNC(=O)COc1cccc(CNC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000572952881 485333335 /nfs/dbraw/zinc/33/33/35/485333335.db2.gz NTUIKHSDCAFCRV-QGZVFWFLSA-N 0 3 364.490 -0.101 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(CCCO)CC1 ZINC000572963273 485333813 /nfs/dbraw/zinc/33/38/13/485333813.db2.gz AYTQDVGQWZLTHP-UHFFFAOYSA-N 0 3 356.511 -0.051 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000572963315 485333883 /nfs/dbraw/zinc/33/38/83/485333883.db2.gz JHPFJXZTNMLDQM-CYBMUJFWSA-N 0 3 374.507 -0.531 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000572963316 485333637 /nfs/dbraw/zinc/33/36/37/485333637.db2.gz JHPFJXZTNMLDQM-ZDUSSCGKSA-N 0 3 374.507 -0.531 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NCc2cc(=O)n3ccccc3n2)CCC1 ZINC000572971235 485333844 /nfs/dbraw/zinc/33/38/44/485333844.db2.gz LOWJRKIAXXHRDL-UHFFFAOYSA-N 0 3 357.414 -0.089 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)[C@@H](CN)C1 ZINC000572977295 485333614 /nfs/dbraw/zinc/33/36/14/485333614.db2.gz CPJXMSWKPGJFCW-AWEZNQCLSA-N 0 3 365.503 -0.676 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)[C@H](CN)C1 ZINC000572977296 485333786 /nfs/dbraw/zinc/33/37/86/485333786.db2.gz CPJXMSWKPGJFCW-CQSZACIVSA-N 0 3 365.503 -0.676 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000572977604 485333573 /nfs/dbraw/zinc/33/35/73/485333573.db2.gz QGTSXVZDVVPOMP-AXFHLTTASA-N 0 3 366.384 -0.032 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000572977605 485334841 /nfs/dbraw/zinc/33/48/41/485334841.db2.gz QGTSXVZDVVPOMP-DCAQKATOSA-N 0 3 366.384 -0.032 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000572977606 485334368 /nfs/dbraw/zinc/33/43/68/485334368.db2.gz QGTSXVZDVVPOMP-GARJFASQSA-N 0 3 366.384 -0.032 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000572977607 485334607 /nfs/dbraw/zinc/33/46/07/485334607.db2.gz QGTSXVZDVVPOMP-HBNTYKKESA-N 0 3 366.384 -0.032 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000572981316 485334557 /nfs/dbraw/zinc/33/45/57/485334557.db2.gz CVPJPFONTZRDFF-CABCVRRESA-N 0 3 358.483 -0.752 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000572981318 485334501 /nfs/dbraw/zinc/33/45/01/485334501.db2.gz CVPJPFONTZRDFF-GJZGRUSLSA-N 0 3 358.483 -0.752 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000572981319 485334911 /nfs/dbraw/zinc/33/49/11/485334911.db2.gz CVPJPFONTZRDFF-HUUCEWRRSA-N 0 3 358.483 -0.752 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000572981320 484131443 /nfs/dbraw/zinc/13/14/43/484131443.db2.gz CVPJPFONTZRDFF-LSDHHAIUSA-N 0 3 358.483 -0.752 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1 ZINC000572986371 485334540 /nfs/dbraw/zinc/33/45/40/485334540.db2.gz GQKOXILZUVFNNI-CMPLNLGQSA-N 0 3 362.386 -0.587 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1 ZINC000572986372 485334380 /nfs/dbraw/zinc/33/43/80/485334380.db2.gz GQKOXILZUVFNNI-JQWIXIFHSA-N 0 3 362.386 -0.587 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1 ZINC000572986373 485334837 /nfs/dbraw/zinc/33/48/37/485334837.db2.gz GQKOXILZUVFNNI-PWSUYJOCSA-N 0 3 362.386 -0.587 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1 ZINC000572986374 485334847 /nfs/dbraw/zinc/33/48/47/485334847.db2.gz GQKOXILZUVFNNI-ZYHUDNBSSA-N 0 3 362.386 -0.587 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cc(F)cc(F)c3)CCN2C1=O ZINC000572986535 485334340 /nfs/dbraw/zinc/33/43/40/485334340.db2.gz KWGQHLHCPHBMCU-KBPBESRZSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc(F)cc(F)c3)CCN2C1=O ZINC000572986536 485334693 /nfs/dbraw/zinc/33/46/93/485334693.db2.gz KWGQHLHCPHBMCU-KGLIPLIRSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cc(F)cc(F)c3)CCN2C1=O ZINC000572986537 485334874 /nfs/dbraw/zinc/33/48/74/485334874.db2.gz KWGQHLHCPHBMCU-UONOGXRCSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc(F)cc(F)c3)CCN2C1=O ZINC000572986538 485334789 /nfs/dbraw/zinc/33/47/89/485334789.db2.gz KWGQHLHCPHBMCU-ZIAGYGMSSA-N 0 3 366.368 -0.606 20 0 FBADHN Cc1cc2c(cc1NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)OCO2 ZINC000572986717 485334394 /nfs/dbraw/zinc/33/43/94/485334394.db2.gz QQYMUMPFWDNXNK-GHMZBOCLSA-N 0 3 360.370 -0.567 20 0 FBADHN Cc1cc2c(cc1NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)OCO2 ZINC000572986718 485334852 /nfs/dbraw/zinc/33/48/52/485334852.db2.gz QQYMUMPFWDNXNK-MNOVXSKESA-N 0 3 360.370 -0.567 20 0 FBADHN Cc1cc2c(cc1NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)OCO2 ZINC000572986719 485334418 /nfs/dbraw/zinc/33/44/18/485334418.db2.gz QQYMUMPFWDNXNK-QWRGUYRKSA-N 0 3 360.370 -0.567 20 0 FBADHN Cc1cc2c(cc1NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)OCO2 ZINC000572986720 485334486 /nfs/dbraw/zinc/33/44/86/485334486.db2.gz QQYMUMPFWDNXNK-WDEREUQCSA-N 0 3 360.370 -0.567 20 0 FBADHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)C2=O ZINC000572986775 485334890 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ZINC000573578505 483929377 /nfs/dbraw/zinc/92/93/77/483929377.db2.gz DBHIGDKJOIDKIW-ZJUUUORDSA-N 0 3 359.429 -0.533 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CC34CCSCC4)CCN2C1=O ZINC000573579086 483929700 /nfs/dbraw/zinc/92/97/00/483929700.db2.gz NWWNXNKJOZFIEN-FRRDWIJNSA-N 0 3 366.487 -0.594 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC34CCSCC4)CCN2C1=O ZINC000573579087 483928744 /nfs/dbraw/zinc/92/87/44/483928744.db2.gz NWWNXNKJOZFIEN-JHJVBQTASA-N 0 3 366.487 -0.594 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CC34CCSCC4)CCN2C1=O ZINC000573579088 483929225 /nfs/dbraw/zinc/92/92/25/483929225.db2.gz NWWNXNKJOZFIEN-RWMBFGLXSA-N 0 3 366.487 -0.594 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC34CCSCC4)CCN2C1=O ZINC000573579089 483929518 /nfs/dbraw/zinc/92/95/18/483929518.db2.gz NWWNXNKJOZFIEN-YNEHKIRRSA-N 0 3 366.487 -0.594 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573579094 483929686 /nfs/dbraw/zinc/92/96/86/483929686.db2.gz NYGCJNCYNISRCI-GHMZBOCLSA-N 0 3 351.432 -0.569 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573579095 483930051 /nfs/dbraw/zinc/93/00/51/483930051.db2.gz NYGCJNCYNISRCI-MNOVXSKESA-N 0 3 351.432 -0.569 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573579096 483929576 /nfs/dbraw/zinc/92/95/76/483929576.db2.gz NYGCJNCYNISRCI-QWRGUYRKSA-N 0 3 351.432 -0.569 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573579097 483929171 /nfs/dbraw/zinc/92/91/71/483929171.db2.gz NYGCJNCYNISRCI-WDEREUQCSA-N 0 3 351.432 -0.569 20 0 FBADHN CC(C)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000573579734 483929812 /nfs/dbraw/zinc/92/98/12/483929812.db2.gz YGOHPADIQSHKKX-NXEZZACHSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000573579735 483929140 /nfs/dbraw/zinc/92/91/40/483929140.db2.gz YGOHPADIQSHKKX-UWVGGRQHSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000573579736 483929308 /nfs/dbraw/zinc/92/93/08/483929308.db2.gz YGOHPADIQSHKKX-VHSXEESVSA-N 0 3 351.432 -0.025 20 0 FBADHN CC(C)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000573579737 483929207 /nfs/dbraw/zinc/92/92/07/483929207.db2.gz YGOHPADIQSHKKX-ZJUUUORDSA-N 0 3 351.432 -0.025 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)no1 ZINC000573584017 483928973 /nfs/dbraw/zinc/92/89/73/483928973.db2.gz FSDNUQQCCNXTIF-AWEZNQCLSA-N 0 3 365.434 -0.342 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)no1 ZINC000573584018 483929892 /nfs/dbraw/zinc/92/98/92/483929892.db2.gz FSDNUQQCCNXTIF-CQSZACIVSA-N 0 3 365.434 -0.342 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000573593273 483929282 /nfs/dbraw/zinc/92/92/82/483929282.db2.gz PEKFDXCBFFUIFT-CYBMUJFWSA-N 0 3 363.453 -0.606 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000573593274 483929391 /nfs/dbraw/zinc/92/93/91/483929391.db2.gz PEKFDXCBFFUIFT-ZDUSSCGKSA-N 0 3 363.453 -0.606 20 0 FBADHN COc1ccc(CN(C)C(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1O ZINC000573594200 483928894 /nfs/dbraw/zinc/92/88/94/483928894.db2.gz YTUDRRCUQROPJF-CYBMUJFWSA-N 0 3 350.419 -0.540 20 0 FBADHN COc1ccc(CN(C)C(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1O ZINC000573594202 483929925 /nfs/dbraw/zinc/92/99/25/483929925.db2.gz YTUDRRCUQROPJF-ZDUSSCGKSA-N 0 3 350.419 -0.540 20 0 FBADHN O=S1(=O)CCO[C@H](CNC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000573595295 483928919 /nfs/dbraw/zinc/92/89/19/483928919.db2.gz IGRIILGPDNDTTI-DLBZAZTESA-N 0 3 354.472 -0.191 20 0 FBADHN O=S1(=O)CCO[C@H](CNC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000573595301 483929481 /nfs/dbraw/zinc/92/94/81/483929481.db2.gz IGRIILGPDNDTTI-IAGOWNOFSA-N 0 3 354.472 -0.191 20 0 FBADHN O=S1(=O)CCO[C@@H](CNC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000573595302 483929083 /nfs/dbraw/zinc/92/90/83/483929083.db2.gz IGRIILGPDNDTTI-IRXDYDNUSA-N 0 3 354.472 -0.191 20 0 FBADHN O=S1(=O)CCO[C@@H](CNC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000573595303 483928819 /nfs/dbraw/zinc/92/88/19/483928819.db2.gz IGRIILGPDNDTTI-SJORKVTESA-N 0 3 354.472 -0.191 20 0 FBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000573603955 483932123 /nfs/dbraw/zinc/93/21/23/483932123.db2.gz CKUTYAZTINALQX-UHFFFAOYSA-N 0 3 363.480 -0.736 20 0 FBADHN CN(C)CCOC1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000573612922 483931175 /nfs/dbraw/zinc/93/11/75/483931175.db2.gz QSCZMQTXTPNUDD-UHFFFAOYSA-N 0 3 370.475 -0.071 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000573614696 483931423 /nfs/dbraw/zinc/93/14/23/483931423.db2.gz DWLFDEMNXPPPCR-CABCVRRESA-N 0 3 354.476 -0.061 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000573614731 483931138 /nfs/dbraw/zinc/93/11/38/483931138.db2.gz DWLFDEMNXPPPCR-GJZGRUSLSA-N 0 3 354.476 -0.061 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000573614732 483932166 /nfs/dbraw/zinc/93/21/66/483932166.db2.gz DWLFDEMNXPPPCR-HUUCEWRRSA-N 0 3 354.476 -0.061 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000573614733 483930727 /nfs/dbraw/zinc/93/07/27/483930727.db2.gz DWLFDEMNXPPPCR-LSDHHAIUSA-N 0 3 354.476 -0.061 20 0 FBADHN COc1cccc(C[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)n2nnnc2C)c1 ZINC000573618789 483930606 /nfs/dbraw/zinc/93/06/06/483930606.db2.gz YERFJPJPZVKIBU-AEFFLSMTSA-N 0 3 374.445 -0.043 20 0 FBADHN COc1cccc(C[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)n2nnnc2C)c1 ZINC000573618790 483931265 /nfs/dbraw/zinc/93/12/65/483931265.db2.gz YERFJPJPZVKIBU-FUHWJXTLSA-N 0 3 374.445 -0.043 20 0 FBADHN COc1cccc(C[C@H](C(=O)NC[C@]2(O)CCN(C)C2)n2nnnc2C)c1 ZINC000573618791 483932054 /nfs/dbraw/zinc/93/20/54/483932054.db2.gz YERFJPJPZVKIBU-SJLPKXTDSA-N 0 3 374.445 -0.043 20 0 FBADHN COc1cccc(C[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)n2nnnc2C)c1 ZINC000573618792 483931086 /nfs/dbraw/zinc/93/10/86/483931086.db2.gz YERFJPJPZVKIBU-WMZOPIPTSA-N 0 3 374.445 -0.043 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CCN2C1=O ZINC000573625371 483933261 /nfs/dbraw/zinc/93/32/61/483933261.db2.gz HGNJVLSEEGKDFK-CABCVRRESA-N 0 3 367.409 -0.324 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CCN2C1=O ZINC000573625372 483933642 /nfs/dbraw/zinc/93/36/42/483933642.db2.gz HGNJVLSEEGKDFK-GJZGRUSLSA-N 0 3 367.409 -0.324 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CCN2C1=O ZINC000573625373 483933849 /nfs/dbraw/zinc/93/38/49/483933849.db2.gz HGNJVLSEEGKDFK-HUUCEWRRSA-N 0 3 367.409 -0.324 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CCN2C1=O ZINC000573625374 483932894 /nfs/dbraw/zinc/93/28/94/483932894.db2.gz HGNJVLSEEGKDFK-LSDHHAIUSA-N 0 3 367.409 -0.324 20 0 FBADHN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573625658 483932618 /nfs/dbraw/zinc/93/26/18/483932618.db2.gz ALQTYBKUVGFHSL-KYOSRNDESA-N 0 3 362.405 -0.357 20 0 FBADHN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573625662 483933345 /nfs/dbraw/zinc/93/33/45/483933345.db2.gz ALQTYBKUVGFHSL-OSAQELSMSA-N 0 3 362.405 -0.357 20 0 FBADHN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573625663 483933905 /nfs/dbraw/zinc/93/39/05/483933905.db2.gz ALQTYBKUVGFHSL-UXIGCNINSA-N 0 3 362.405 -0.357 20 0 FBADHN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573625664 483932911 /nfs/dbraw/zinc/93/29/11/483932911.db2.gz ALQTYBKUVGFHSL-ZLDLUXBVSA-N 0 3 362.405 -0.357 20 0 FBADHN CC(C(=O)NC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000573627175 483933140 /nfs/dbraw/zinc/93/31/40/483933140.db2.gz DNSMYDVOBVETAP-MRVPVSSYSA-N 0 3 363.417 -0.706 20 0 FBADHN CC(C(=O)NC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000573627176 483933446 /nfs/dbraw/zinc/93/34/46/483933446.db2.gz DNSMYDVOBVETAP-QMMMGPOBSA-N 0 3 363.417 -0.706 20 0 FBADHN Cc1onc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000573627749 484477538 /nfs/dbraw/zinc/47/75/38/484477538.db2.gz KCEVXTNQRWPGCJ-CYBMUJFWSA-N 0 3 365.434 0.289 20 0 FBADHN Cc1onc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1C ZINC000573627750 484477034 /nfs/dbraw/zinc/47/70/34/484477034.db2.gz KCEVXTNQRWPGCJ-ZDUSSCGKSA-N 0 3 365.434 0.289 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000573662626 483932701 /nfs/dbraw/zinc/93/27/01/483932701.db2.gz REONNZCACYPTCP-CVEARBPZSA-N 0 3 354.495 -0.177 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000573662630 483933982 /nfs/dbraw/zinc/93/39/82/483933982.db2.gz REONNZCACYPTCP-HOTGVXAUSA-N 0 3 354.495 -0.177 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000573662632 483933280 /nfs/dbraw/zinc/93/32/80/483933280.db2.gz REONNZCACYPTCP-HZPDHXFCSA-N 0 3 354.495 -0.177 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000573662633 483933470 /nfs/dbraw/zinc/93/34/70/483933470.db2.gz REONNZCACYPTCP-JKSUJKDBSA-N 0 3 354.495 -0.177 20 0 FBADHN CN1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)C1 ZINC000573674686 483935367 /nfs/dbraw/zinc/93/53/67/483935367.db2.gz LRMMKIWZSRRSON-KBXCAEBGSA-N 0 3 353.463 -0.071 20 0 FBADHN CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H](CO)OC(C)(C)C3)C2)C1 ZINC000573674688 483935559 /nfs/dbraw/zinc/93/55/59/483935559.db2.gz LRMMKIWZSRRSON-KDOFPFPSSA-N 0 3 353.463 -0.071 20 0 FBADHN CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)C1 ZINC000573674690 483934547 /nfs/dbraw/zinc/93/45/47/483934547.db2.gz LRMMKIWZSRRSON-KSSFIOAISA-N 0 3 353.463 -0.071 20 0 FBADHN CN1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@H](CO)OC(C)(C)C3)C2)C1 ZINC000573674691 483935346 /nfs/dbraw/zinc/93/53/46/483935346.db2.gz LRMMKIWZSRRSON-RDTXWAMCSA-N 0 3 353.463 -0.071 20 0 FBADHN CN(C)CCN(C)CCCN(C)C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000573697541 483937192 /nfs/dbraw/zinc/93/71/92/483937192.db2.gz VIUGHOZPWAFDPM-UHFFFAOYSA-N 0 3 357.480 -0.164 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccn(Cc4ccncc4)n3)CCN2C1=O ZINC000573698914 484211348 /nfs/dbraw/zinc/21/13/48/484211348.db2.gz GSUFMHQDLRGBPR-KBPBESRZSA-N 0 3 355.402 0.102 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccn(Cc4ccncc4)n3)CCN2C1=O ZINC000573698917 484211489 /nfs/dbraw/zinc/21/14/89/484211489.db2.gz GSUFMHQDLRGBPR-KGLIPLIRSA-N 0 3 355.402 0.102 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccn(Cc4ccncc4)n3)CCN2C1=O ZINC000573698918 484210906 /nfs/dbraw/zinc/21/09/06/484210906.db2.gz GSUFMHQDLRGBPR-UONOGXRCSA-N 0 3 355.402 0.102 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccn(Cc4ccncc4)n3)CCN2C1=O ZINC000573698919 484210648 /nfs/dbraw/zinc/21/06/48/484210648.db2.gz GSUFMHQDLRGBPR-ZIAGYGMSSA-N 0 3 355.402 0.102 20 0 FBADHN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NC1CNC1 ZINC000573701890 483936090 /nfs/dbraw/zinc/93/60/90/483936090.db2.gz MPACSOMUGFIUNR-HNNXBMFYSA-N 0 3 360.458 -0.176 20 0 FBADHN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NC1CNC1 ZINC000573701891 483936837 /nfs/dbraw/zinc/93/68/37/483936837.db2.gz MPACSOMUGFIUNR-OAHLLOKOSA-N 0 3 360.458 -0.176 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)[C@H](CN)C1 ZINC000573701934 483936968 /nfs/dbraw/zinc/93/69/68/483936968.db2.gz VHOHPUWHMKPTAC-DZGCQCFKSA-N 0 3 365.478 -0.863 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@@H](CN)C1 ZINC000573701935 483936285 /nfs/dbraw/zinc/93/62/85/483936285.db2.gz VHOHPUWHMKPTAC-HIFRSBDPSA-N 0 3 365.478 -0.863 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@H](CN)C1 ZINC000573701936 483937135 /nfs/dbraw/zinc/93/71/35/483937135.db2.gz VHOHPUWHMKPTAC-UKRRQHHQSA-N 0 3 365.478 -0.863 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)[C@@H](CN)C1 ZINC000573701937 483937157 /nfs/dbraw/zinc/93/71/57/483937157.db2.gz VHOHPUWHMKPTAC-ZFWWWQNUSA-N 0 3 365.478 -0.863 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000573711966 483936169 /nfs/dbraw/zinc/93/61/69/483936169.db2.gz XGNVGBRAFJMJMK-UONOGXRCSA-N 0 3 363.443 -0.430 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(C)nn(C)c2C)CC1=O ZINC000573716205 483937073 /nfs/dbraw/zinc/93/70/73/483937073.db2.gz ATECMQRHHUEKOK-AWEZNQCLSA-N 0 3 351.451 -0.054 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2c(C)nn(C)c2C)CC1=O ZINC000573716213 483937237 /nfs/dbraw/zinc/93/72/37/483937237.db2.gz ATECMQRHHUEKOK-CQSZACIVSA-N 0 3 351.451 -0.054 20 0 FBADHN COc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1OCC(N)=O ZINC000573716317 483937004 /nfs/dbraw/zinc/93/70/04/483937004.db2.gz RJQSTHBDGDKXAZ-GOSISDBHSA-N 0 3 363.414 -0.254 20 0 FBADHN COc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)ccc1OCC(N)=O ZINC000573716319 483936370 /nfs/dbraw/zinc/93/63/70/483936370.db2.gz RJQSTHBDGDKXAZ-SFHVURJKSA-N 0 3 363.414 -0.254 20 0 FBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CNCCO2)cc1 ZINC000573724434 483937147 /nfs/dbraw/zinc/93/71/47/483937147.db2.gz PGVIFGYTQUTKFZ-CYBMUJFWSA-N 0 3 370.431 -0.972 20 0 FBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000573724435 483937098 /nfs/dbraw/zinc/93/70/98/483937098.db2.gz PGVIFGYTQUTKFZ-ZDUSSCGKSA-N 0 3 370.431 -0.972 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1CC1 ZINC000573735846 483938708 /nfs/dbraw/zinc/93/87/08/483938708.db2.gz MVJCRNAVEXFNLV-HNNXBMFYSA-N 0 3 352.479 -0.232 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CC1 ZINC000573735847 483938942 /nfs/dbraw/zinc/93/89/42/483938942.db2.gz MVJCRNAVEXFNLV-OAHLLOKOSA-N 0 3 352.479 -0.232 20 0 FBADHN COCCOCCc1ncc(C(=O)NC[C@]2(O)CN3CCC2CC3)[nH]1 ZINC000573741728 483938796 /nfs/dbraw/zinc/93/87/96/483938796.db2.gz QDFAUFFJXPLHEE-KRWDZBQOSA-N 0 3 352.435 -0.198 20 0 FBADHN COCCOCCc1ncc(C(=O)NC[C@@]2(O)CN3CCC2CC3)[nH]1 ZINC000573741729 483938365 /nfs/dbraw/zinc/93/83/65/483938365.db2.gz QDFAUFFJXPLHEE-QGZVFWFLSA-N 0 3 352.435 -0.198 20 0 FBADHN COC(=O)c1cccc(CS(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000573743045 483938568 /nfs/dbraw/zinc/93/85/68/483938568.db2.gz DVYDERARUQPEPU-KBPBESRZSA-N 0 3 367.427 -0.453 20 0 FBADHN COC(=O)c1cccc(CS(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000573743046 483937933 /nfs/dbraw/zinc/93/79/33/483937933.db2.gz DVYDERARUQPEPU-KGLIPLIRSA-N 0 3 367.427 -0.453 20 0 FBADHN COC(=O)c1cccc(CS(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000573743047 483937987 /nfs/dbraw/zinc/93/79/87/483937987.db2.gz DVYDERARUQPEPU-UONOGXRCSA-N 0 3 367.427 -0.453 20 0 FBADHN COC(=O)c1cccc(CS(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000573743048 483938888 /nfs/dbraw/zinc/93/88/88/483938888.db2.gz DVYDERARUQPEPU-ZIAGYGMSSA-N 0 3 367.427 -0.453 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000573743179 483938985 /nfs/dbraw/zinc/93/89/85/483938985.db2.gz IGSRPKMUHKJHGR-DZGCQCFKSA-N 0 3 366.443 -0.745 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000573743180 483939052 /nfs/dbraw/zinc/93/90/52/483939052.db2.gz IGSRPKMUHKJHGR-HIFRSBDPSA-N 0 3 366.443 -0.745 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000573743182 483938750 /nfs/dbraw/zinc/93/87/50/483938750.db2.gz IGSRPKMUHKJHGR-UKRRQHHQSA-N 0 3 366.443 -0.745 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000573743184 483938540 /nfs/dbraw/zinc/93/85/40/483938540.db2.gz IGSRPKMUHKJHGR-ZFWWWQNUSA-N 0 3 366.443 -0.745 20 0 FBADHN Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573743653 483938017 /nfs/dbraw/zinc/93/80/17/483938017.db2.gz WQTAAPPAMSNRDK-KCXAZCMYSA-N 0 3 356.426 -0.131 20 0 FBADHN Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573743654 483938972 /nfs/dbraw/zinc/93/89/72/483938972.db2.gz WQTAAPPAMSNRDK-MAZHCROVSA-N 0 3 356.426 -0.131 20 0 FBADHN Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573743655 483937913 /nfs/dbraw/zinc/93/79/13/483937913.db2.gz WQTAAPPAMSNRDK-RCBQFDQVSA-N 0 3 356.426 -0.131 20 0 FBADHN Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573743656 483938430 /nfs/dbraw/zinc/93/84/30/483938430.db2.gz WQTAAPPAMSNRDK-WQVCFCJDSA-N 0 3 356.426 -0.131 20 0 FBADHN COC[C@@H](C)CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000573749356 483939083 /nfs/dbraw/zinc/93/90/83/483939083.db2.gz DRNYFBRVEXNPPN-KBPBESRZSA-N 0 3 356.467 -0.556 20 0 FBADHN COC[C@H](C)CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000573749359 483938146 /nfs/dbraw/zinc/93/81/46/483938146.db2.gz DRNYFBRVEXNPPN-KGLIPLIRSA-N 0 3 356.467 -0.556 20 0 FBADHN COC[C@@H](C)CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000573749360 483938479 /nfs/dbraw/zinc/93/84/79/483938479.db2.gz DRNYFBRVEXNPPN-UONOGXRCSA-N 0 3 356.467 -0.556 20 0 FBADHN COC[C@H](C)CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000573749361 483938819 /nfs/dbraw/zinc/93/88/19/483938819.db2.gz DRNYFBRVEXNPPN-ZIAGYGMSSA-N 0 3 356.467 -0.556 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000573763370 483940183 /nfs/dbraw/zinc/94/01/83/483940183.db2.gz PEIJLOIXALPBLG-AWEZNQCLSA-N 0 3 363.466 -0.576 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000573763372 483939518 /nfs/dbraw/zinc/93/95/18/483939518.db2.gz PEIJLOIXALPBLG-CQSZACIVSA-N 0 3 363.466 -0.576 20 0 FBADHN COCCCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C1CCN(C)CC1 ZINC000573779879 483940050 /nfs/dbraw/zinc/94/00/50/483940050.db2.gz FGXMYYNWHAGFRN-UHFFFAOYSA-N 0 3 373.479 -0.510 20 0 FBADHN O=C(NCCN1CCCOCC1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000573786896 483940159 /nfs/dbraw/zinc/94/01/59/483940159.db2.gz WNWWWPRMDNKFPV-INIZCTEOSA-N 0 3 367.494 -0.438 20 0 FBADHN O=C(NCCN1CCCOCC1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000573786897 483940332 /nfs/dbraw/zinc/94/03/32/483940332.db2.gz WNWWWPRMDNKFPV-MRXNPFEDSA-N 0 3 367.494 -0.438 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)CCOC2CNC2)c1 ZINC000573799239 483939493 /nfs/dbraw/zinc/93/94/93/483939493.db2.gz CJEMBCWUOHOCQX-UHFFFAOYSA-N 0 3 371.459 -0.394 20 0 FBADHN NS(=O)(=O)Cc1cccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)c1 ZINC000573799883 483941282 /nfs/dbraw/zinc/94/12/82/483941282.db2.gz IKIWWFOQPHKSOI-UHFFFAOYSA-N 0 3 365.419 -0.745 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)N(C)C1CC1 ZINC000573813555 483941208 /nfs/dbraw/zinc/94/12/08/483941208.db2.gz UWBSSUZTLBDVNR-GFCCVEGCSA-N 0 3 357.414 -0.090 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)N(C)C1CC1 ZINC000573813556 483941188 /nfs/dbraw/zinc/94/11/88/483941188.db2.gz UWBSSUZTLBDVNR-LBPRGKRZSA-N 0 3 357.414 -0.090 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000573817135 483941371 /nfs/dbraw/zinc/94/13/71/483941371.db2.gz NJFREOUZRINJJF-GXTWGEPZSA-N 0 3 366.443 -0.875 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000573817137 483941222 /nfs/dbraw/zinc/94/12/22/483941222.db2.gz NJFREOUZRINJJF-JSGCOSHPSA-N 0 3 366.443 -0.875 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000573817196 483941940 /nfs/dbraw/zinc/94/19/40/483941940.db2.gz NJFREOUZRINJJF-OCCSQVGLSA-N 0 3 366.443 -0.875 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000573817197 483942081 /nfs/dbraw/zinc/94/20/81/483942081.db2.gz NJFREOUZRINJJF-TZMCWYRMSA-N 0 3 366.443 -0.875 20 0 FBADHN CN1CCN(C(=O)NCCNC(=O)Cc2cccc(F)c2)[C@@H](CN)C1 ZINC000573819606 483941259 /nfs/dbraw/zinc/94/12/59/483941259.db2.gz AAVHUXFNKLPFLH-HNNXBMFYSA-N 0 3 351.426 -0.231 20 0 FBADHN CN1CCN(C(=O)NCCNC(=O)Cc2cccc(F)c2)[C@H](CN)C1 ZINC000573819608 483942121 /nfs/dbraw/zinc/94/21/21/483942121.db2.gz AAVHUXFNKLPFLH-OAHLLOKOSA-N 0 3 351.426 -0.231 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c(OC)c1 ZINC000573823600 483941860 /nfs/dbraw/zinc/94/18/60/483941860.db2.gz IEXBBLIBTFRUQN-AWEZNQCLSA-N 0 3 364.446 -0.536 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c(OC)c1 ZINC000573823602 483941719 /nfs/dbraw/zinc/94/17/19/483941719.db2.gz IEXBBLIBTFRUQN-CQSZACIVSA-N 0 3 364.446 -0.536 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccsc1 ZINC000573824173 483941323 /nfs/dbraw/zinc/94/13/23/483941323.db2.gz VCDVUVZFIIQGMD-KBPBESRZSA-N 0 3 353.492 -0.432 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccsc1 ZINC000573824177 483941914 /nfs/dbraw/zinc/94/19/14/483941914.db2.gz VCDVUVZFIIQGMD-KGLIPLIRSA-N 0 3 353.492 -0.432 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccsc1 ZINC000573824179 483942193 /nfs/dbraw/zinc/94/21/93/483942193.db2.gz VCDVUVZFIIQGMD-UONOGXRCSA-N 0 3 353.492 -0.432 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccsc1 ZINC000573824180 483941448 /nfs/dbraw/zinc/94/14/48/483941448.db2.gz VCDVUVZFIIQGMD-ZIAGYGMSSA-N 0 3 353.492 -0.432 20 0 FBADHN O=C(C1CCC1)N1CCN(CCNC[C@H](O)CN2CCOCC2)CC1 ZINC000573835104 483943390 /nfs/dbraw/zinc/94/33/90/483943390.db2.gz JLUAAZQVXWHJOK-KRWDZBQOSA-N 0 3 354.495 -0.787 20 0 FBADHN O=C(C1CCC1)N1CCN(CCNC[C@@H](O)CN2CCOCC2)CC1 ZINC000573835108 483942970 /nfs/dbraw/zinc/94/29/70/483942970.db2.gz JLUAAZQVXWHJOK-QGZVFWFLSA-N 0 3 354.495 -0.787 20 0 FBADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000573839385 483943314 /nfs/dbraw/zinc/94/33/14/483943314.db2.gz BUEPTIQXLAYUPZ-INIZCTEOSA-N 0 3 356.426 -0.177 20 0 FBADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000573839389 483943413 /nfs/dbraw/zinc/94/34/13/483943413.db2.gz BUEPTIQXLAYUPZ-MRXNPFEDSA-N 0 3 356.426 -0.177 20 0 FBADHN NC[C@H](C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccccc1 ZINC000573842912 483943538 /nfs/dbraw/zinc/94/35/38/483943538.db2.gz CSEYHGNXMVLKQW-AWEZNQCLSA-N 0 3 363.443 -0.015 20 0 FBADHN NC[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccccc1 ZINC000573842916 483942876 /nfs/dbraw/zinc/94/28/76/483942876.db2.gz CSEYHGNXMVLKQW-CQSZACIVSA-N 0 3 363.443 -0.015 20 0 FBADHN O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)N1CCOC2(CNC2)C1 ZINC000573843502 483942991 /nfs/dbraw/zinc/94/29/91/483942991.db2.gz PWGPKJICTROKFO-GFCCVEGCSA-N 0 3 367.427 -0.395 20 0 FBADHN O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)N1CCOC2(CNC2)C1 ZINC000573843503 483943106 /nfs/dbraw/zinc/94/31/06/483943106.db2.gz PWGPKJICTROKFO-LBPRGKRZSA-N 0 3 367.427 -0.395 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000573863394 483945414 /nfs/dbraw/zinc/94/54/14/483945414.db2.gz PZDSLLNLCZZVMH-NOZJJQNGSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000573863399 483945343 /nfs/dbraw/zinc/94/53/43/483945343.db2.gz PZDSLLNLCZZVMH-RNCFNFMXSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000573863400 483945646 /nfs/dbraw/zinc/94/56/46/483945646.db2.gz PZDSLLNLCZZVMH-TVQRCGJNSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000573863401 483944898 /nfs/dbraw/zinc/94/48/98/483944898.db2.gz PZDSLLNLCZZVMH-ZANVPECISA-N 0 3 371.390 -0.455 20 0 FBADHN CCN(C1CCN(C[C@@H](O)CN(C)CCOC)CC1)S(C)(=O)=O ZINC000573881252 483945484 /nfs/dbraw/zinc/94/54/84/483945484.db2.gz JPFACTYECCZVCO-HNNXBMFYSA-N 0 3 351.513 -0.329 20 0 FBADHN CCN(C1CCN(C[C@H](O)CN(C)CCOC)CC1)S(C)(=O)=O ZINC000573881255 483944952 /nfs/dbraw/zinc/94/49/52/483944952.db2.gz JPFACTYECCZVCO-OAHLLOKOSA-N 0 3 351.513 -0.329 20 0 FBADHN COC[C@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000573883305 483944723 /nfs/dbraw/zinc/94/47/23/483944723.db2.gz WSPRSHRMFOPGDI-INIZCTEOSA-N 0 3 370.494 -0.750 20 0 FBADHN COC[C@@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000573883306 483945804 /nfs/dbraw/zinc/94/58/04/483945804.db2.gz WSPRSHRMFOPGDI-MRXNPFEDSA-N 0 3 370.494 -0.750 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(OCC3CC3)nc2)[C@@H](CN)C1 ZINC000573906146 483947283 /nfs/dbraw/zinc/94/72/83/483947283.db2.gz CREFUVICIPYNPI-HNNXBMFYSA-N 0 3 361.446 -0.412 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(OCC3CC3)nc2)[C@H](CN)C1 ZINC000573906147 483947804 /nfs/dbraw/zinc/94/78/04/483947804.db2.gz CREFUVICIPYNPI-OAHLLOKOSA-N 0 3 361.446 -0.412 20 0 FBADHN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000573906225 483946527 /nfs/dbraw/zinc/94/65/27/483946527.db2.gz WCCRJYMKPDHCLS-UHFFFAOYSA-N 0 3 368.459 -0.675 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)C[C@H]2N)cn1 ZINC000573913557 483946766 /nfs/dbraw/zinc/94/67/66/483946766.db2.gz ACGHRJFQMNWTNQ-AALSBFMBSA-N 0 3 361.446 -0.253 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)C[C@H]2N)cn1 ZINC000573913559 483946925 /nfs/dbraw/zinc/94/69/25/483946925.db2.gz ACGHRJFQMNWTNQ-JKJDWNRSSA-N 0 3 361.446 -0.253 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)C[C@H]2N)cn1 ZINC000573913560 483946670 /nfs/dbraw/zinc/94/66/70/483946670.db2.gz ACGHRJFQMNWTNQ-RBZJEDDUSA-N 0 3 361.446 -0.253 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)C[C@H]2N)cn1 ZINC000573913561 483947456 /nfs/dbraw/zinc/94/74/56/483947456.db2.gz ACGHRJFQMNWTNQ-YIDVYQOGSA-N 0 3 361.446 -0.253 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000573913956 483946737 /nfs/dbraw/zinc/94/67/37/483946737.db2.gz PGTPBQGWQFEITJ-HNNXBMFYSA-N 0 3 357.476 -0.233 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000573913957 483946869 /nfs/dbraw/zinc/94/68/69/483946869.db2.gz PGTPBQGWQFEITJ-OAHLLOKOSA-N 0 3 357.476 -0.233 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NC3CC3)CC2)cn1C ZINC000573918125 483947360 /nfs/dbraw/zinc/94/73/60/483947360.db2.gz ORBIHMCHWPWQEN-LLVKDONJSA-N 0 3 355.464 -0.298 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC3CC3)CC2)cn1C ZINC000573918126 483947511 /nfs/dbraw/zinc/94/75/11/483947511.db2.gz ORBIHMCHWPWQEN-NSHDSACASA-N 0 3 355.464 -0.298 20 0 FBADHN Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nc(N3CCNCC3)n[nH]1)C2=O ZINC000573918324 483947857 /nfs/dbraw/zinc/94/78/57/483947857.db2.gz ABLNQTICKOPTPF-UHFFFAOYSA-N 0 3 369.385 -0.243 20 0 FBADHN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000573918577 483947016 /nfs/dbraw/zinc/94/70/16/483947016.db2.gz RLMKBZAVDRDDTE-UHFFFAOYSA-N 0 3 370.373 -0.732 20 0 FBADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1 ZINC000573919459 483947682 /nfs/dbraw/zinc/94/76/82/483947682.db2.gz KAEOTTQABYBRTC-UHFFFAOYSA-N 0 3 373.457 -0.227 20 0 FBADHN CC(C)[C@@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)N1CCCCC1 ZINC000573923185 483946710 /nfs/dbraw/zinc/94/67/10/483946710.db2.gz IFQHRBMBYRMBNE-INIZCTEOSA-N 0 3 372.535 -0.057 20 0 FBADHN CC(C)[C@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)N1CCCCC1 ZINC000573923186 483947765 /nfs/dbraw/zinc/94/77/65/483947765.db2.gz IFQHRBMBYRMBNE-MRXNPFEDSA-N 0 3 372.535 -0.057 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCO1 ZINC000573929567 483947703 /nfs/dbraw/zinc/94/77/03/483947703.db2.gz SBTQYYCVELXPJC-HNNXBMFYSA-N 0 3 368.478 -0.317 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCO1 ZINC000573929568 483946819 /nfs/dbraw/zinc/94/68/19/483946819.db2.gz SBTQYYCVELXPJC-OAHLLOKOSA-N 0 3 368.478 -0.317 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ncnn3-c3ccccc3)CCN2C1=O ZINC000573935580 483949026 /nfs/dbraw/zinc/94/90/26/483949026.db2.gz KJTXCHNARHDXKO-KBPBESRZSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ncnn3-c3ccccc3)CCN2C1=O ZINC000573935581 483948838 /nfs/dbraw/zinc/94/88/38/483948838.db2.gz KJTXCHNARHDXKO-KGLIPLIRSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ncnn3-c3ccccc3)CCN2C1=O ZINC000573935582 483949221 /nfs/dbraw/zinc/94/92/21/483949221.db2.gz KJTXCHNARHDXKO-UONOGXRCSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ncnn3-c3ccccc3)CCN2C1=O ZINC000573935583 483949053 /nfs/dbraw/zinc/94/90/53/483949053.db2.gz KJTXCHNARHDXKO-ZIAGYGMSSA-N 0 3 355.402 -0.279 20 0 FBADHN COC(=O)c1sccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573935651 483949236 /nfs/dbraw/zinc/94/92/36/483949236.db2.gz MIUSBCALMJUVAZ-BDAKNGLRSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1sccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573935652 483949336 /nfs/dbraw/zinc/94/93/36/483949336.db2.gz MIUSBCALMJUVAZ-DTWKUNHWSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1sccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573935653 483948531 /nfs/dbraw/zinc/94/85/31/483948531.db2.gz MIUSBCALMJUVAZ-IUCAKERBSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1sccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573935654 483949313 /nfs/dbraw/zinc/94/93/13/483949313.db2.gz MIUSBCALMJUVAZ-RKDXNWHRSA-N 0 3 366.399 -0.756 20 0 FBADHN CN(CC(=O)NC[C@]1(O)CN2CCC1CC2)S(=O)(=O)c1cccnc1 ZINC000573943043 483948355 /nfs/dbraw/zinc/94/83/55/483948355.db2.gz QGKZEDAGBREVAH-INIZCTEOSA-N 0 3 368.459 -0.725 20 0 FBADHN CN(CC(=O)NC[C@@]1(O)CN2CCC1CC2)S(=O)(=O)c1cccnc1 ZINC000573943044 483949040 /nfs/dbraw/zinc/94/90/40/483949040.db2.gz QGKZEDAGBREVAH-MRXNPFEDSA-N 0 3 368.459 -0.725 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)N(C)C1CC1 ZINC000573943795 483948945 /nfs/dbraw/zinc/94/89/45/483948945.db2.gz OSBRCLVFCQHJBP-KBPBESRZSA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)N(C)C1CC1 ZINC000573943796 483949729 /nfs/dbraw/zinc/94/97/29/483949729.db2.gz OSBRCLVFCQHJBP-KGLIPLIRSA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)N(C)C1CC1 ZINC000573943797 483948872 /nfs/dbraw/zinc/94/88/72/483948872.db2.gz OSBRCLVFCQHJBP-UONOGXRCSA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)N(C)C1CC1 ZINC000573943799 483949146 /nfs/dbraw/zinc/94/91/46/483949146.db2.gz OSBRCLVFCQHJBP-ZIAGYGMSSA-N 0 3 354.495 -0.111 20 0 FBADHN NC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cn1 ZINC000573944926 483949428 /nfs/dbraw/zinc/94/94/28/483949428.db2.gz JFQKELFSQGCNMM-CYBMUJFWSA-N 0 3 359.430 -0.070 20 0 FBADHN NC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cn1 ZINC000573944927 483948477 /nfs/dbraw/zinc/94/84/77/483948477.db2.gz JFQKELFSQGCNMM-ZDUSSCGKSA-N 0 3 359.430 -0.070 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000573945713 483948549 /nfs/dbraw/zinc/94/85/49/483948549.db2.gz LTQPOCHTFIKZHO-AWEZNQCLSA-N 0 3 354.451 -0.707 20 0 FBADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000573945717 483949556 /nfs/dbraw/zinc/94/95/56/483949556.db2.gz LTQPOCHTFIKZHO-CQSZACIVSA-N 0 3 354.451 -0.707 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)CC2 ZINC000573959438 483949665 /nfs/dbraw/zinc/94/96/65/483949665.db2.gz BAPUGRUQYASFRN-GFCCVEGCSA-N 0 3 364.450 -0.592 20 0 FBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)CC2 ZINC000573959450 483949283 /nfs/dbraw/zinc/94/92/83/483949283.db2.gz BAPUGRUQYASFRN-LBPRGKRZSA-N 0 3 364.450 -0.592 20 0 FBADHN CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000573970674 484286862 /nfs/dbraw/zinc/28/68/62/484286862.db2.gz KSTSDTCCXLMIMB-GFCCVEGCSA-N 0 3 366.466 0.113 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979734 483950475 /nfs/dbraw/zinc/95/04/75/483950475.db2.gz SLOYHPUTRADUMT-CABCVRRESA-N 0 3 351.513 -0.471 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979741 483951738 /nfs/dbraw/zinc/95/17/38/483951738.db2.gz SLOYHPUTRADUMT-GJZGRUSLSA-N 0 3 351.513 -0.471 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979742 483950230 /nfs/dbraw/zinc/95/02/30/483950230.db2.gz SLOYHPUTRADUMT-HUUCEWRRSA-N 0 3 351.513 -0.471 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979743 483950880 /nfs/dbraw/zinc/95/08/80/483950880.db2.gz SLOYHPUTRADUMT-LSDHHAIUSA-N 0 3 351.513 -0.471 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCn2c(nnc2C(C)(C)C)C1 ZINC000573982661 483950897 /nfs/dbraw/zinc/95/08/97/483950897.db2.gz BAVAUPOQDUGAAF-UHFFFAOYSA-N 0 3 352.439 -0.730 20 0 FBADHN Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573982957 483950545 /nfs/dbraw/zinc/95/05/45/483950545.db2.gz KBHOVMPPZYFJSC-ICCXJUOJSA-N 0 3 363.418 -0.718 20 0 FBADHN Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573982959 483950687 /nfs/dbraw/zinc/95/06/87/483950687.db2.gz KBHOVMPPZYFJSC-JIMOISOXSA-N 0 3 363.418 -0.718 20 0 FBADHN Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573982961 483950499 /nfs/dbraw/zinc/95/04/99/483950499.db2.gz KBHOVMPPZYFJSC-OASPWFOLSA-N 0 3 363.418 -0.718 20 0 FBADHN Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573982963 483950388 /nfs/dbraw/zinc/95/03/88/483950388.db2.gz KBHOVMPPZYFJSC-WQAKAFBOSA-N 0 3 363.418 -0.718 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000573993551 483952535 /nfs/dbraw/zinc/95/25/35/483952535.db2.gz KNYCVUSMQWNWPI-UHFFFAOYSA-N 0 3 369.491 -0.518 20 0 FBADHN COCC1(O)CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000573994839 483953209 /nfs/dbraw/zinc/95/32/09/483953209.db2.gz GTEKLBMGSHSLCV-HNNXBMFYSA-N 0 3 371.478 -0.397 20 0 FBADHN COCC1(O)CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000573994840 483952925 /nfs/dbraw/zinc/95/29/25/483952925.db2.gz GTEKLBMGSHSLCV-OAHLLOKOSA-N 0 3 371.478 -0.397 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C4CCOCC4)CC3)C[C@@H]21 ZINC000574018305 483952787 /nfs/dbraw/zinc/95/27/87/483952787.db2.gz LYOYDGSBRRCOMK-ZBFHGGJFSA-N 0 3 350.463 -0.528 20 0 FBADHN O=C(CCc1ccccc1)N1CCCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000574025457 483953311 /nfs/dbraw/zinc/95/33/11/483953311.db2.gz RUFDUCRYJCECKV-UHFFFAOYSA-N 0 3 358.442 -0.232 20 0 FBADHN O=C(CCOC1CNC1)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000574032202 483952489 /nfs/dbraw/zinc/95/24/89/483952489.db2.gz MHHNTKVKJXOXNG-UHFFFAOYSA-N 0 3 350.423 -0.002 20 0 FBADHN O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CNCc2ccccc21 ZINC000574036246 483953339 /nfs/dbraw/zinc/95/33/39/483953339.db2.gz MKZKAKHSIYAZLE-AEFFLSMTSA-N 0 3 372.469 -0.077 20 0 FBADHN O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CNCc2ccccc21 ZINC000574036247 483953397 /nfs/dbraw/zinc/95/33/97/483953397.db2.gz MKZKAKHSIYAZLE-FUHWJXTLSA-N 0 3 372.469 -0.077 20 0 FBADHN O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CNCc2ccccc21 ZINC000574036248 483952327 /nfs/dbraw/zinc/95/23/27/483952327.db2.gz MKZKAKHSIYAZLE-SJLPKXTDSA-N 0 3 372.469 -0.077 20 0 FBADHN O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CNCc2ccccc21 ZINC000574036250 483952256 /nfs/dbraw/zinc/95/22/56/483952256.db2.gz MKZKAKHSIYAZLE-WMZOPIPTSA-N 0 3 372.469 -0.077 20 0 FBADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CNCCC1(F)F ZINC000574040874 483955051 /nfs/dbraw/zinc/95/50/51/483955051.db2.gz GLUIJERRWAMSCU-KBPBESRZSA-N 0 3 374.432 -0.187 20 0 FBADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CNCCC1(F)F ZINC000574040875 483953937 /nfs/dbraw/zinc/95/39/37/483953937.db2.gz GLUIJERRWAMSCU-KGLIPLIRSA-N 0 3 374.432 -0.187 20 0 FBADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CNCCC1(F)F ZINC000574040876 483954529 /nfs/dbraw/zinc/95/45/29/483954529.db2.gz GLUIJERRWAMSCU-UONOGXRCSA-N 0 3 374.432 -0.187 20 0 FBADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CNCCC1(F)F ZINC000574040877 483954827 /nfs/dbraw/zinc/95/48/27/483954827.db2.gz GLUIJERRWAMSCU-ZIAGYGMSSA-N 0 3 374.432 -0.187 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000574048028 483954426 /nfs/dbraw/zinc/95/44/26/483954426.db2.gz HRSSVLZOJZAYKL-HNNXBMFYSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000574048031 483954800 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483957648 /nfs/dbraw/zinc/95/76/48/483957648.db2.gz ADWQDZXVRIMPRC-GDBMZVCRSA-N 0 3 373.523 -0.006 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000574135004 483958295 /nfs/dbraw/zinc/95/82/95/483958295.db2.gz ADWQDZXVRIMPRC-ZBFHGGJFSA-N 0 3 373.523 -0.006 20 0 FBADHN CC(C)[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1nc(C2CC2)no1 ZINC000574143072 483958416 /nfs/dbraw/zinc/95/84/16/483958416.db2.gz FWWPVVIMFQDOHD-CHWSQXEVSA-N 0 3 364.450 -0.138 20 0 FBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1nc(C2CC2)no1 ZINC000574143073 483958446 /nfs/dbraw/zinc/95/84/46/483958446.db2.gz FWWPVVIMFQDOHD-OLZOCXBDSA-N 0 3 364.450 -0.138 20 0 FBADHN CC(C)[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nc(C2CC2)no1 ZINC000574143074 483958185 /nfs/dbraw/zinc/95/81/85/483958185.db2.gz FWWPVVIMFQDOHD-QWHCGFSZSA-N 0 3 364.450 -0.138 20 0 FBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nc(C2CC2)no1 ZINC000574143075 483958270 /nfs/dbraw/zinc/95/82/70/483958270.db2.gz FWWPVVIMFQDOHD-STQMWFEESA-N 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483960158 /nfs/dbraw/zinc/96/01/58/483960158.db2.gz UNNRFZKAHVFPOH-OAHLLOKOSA-N 0 3 358.446 -0.178 20 0 FBADHN COc1ccc(CNC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000574169858 483959844 /nfs/dbraw/zinc/95/98/44/483959844.db2.gz HUYQWCMRSQHRDZ-KBPBESRZSA-N 0 3 362.430 -0.436 20 0 FBADHN COc1ccc(CNC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000574169861 483960258 /nfs/dbraw/zinc/96/02/58/483960258.db2.gz HUYQWCMRSQHRDZ-KGLIPLIRSA-N 0 3 362.430 -0.436 20 0 FBADHN COc1ccc(CNC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000574169863 483959300 /nfs/dbraw/zinc/95/93/00/483959300.db2.gz HUYQWCMRSQHRDZ-UONOGXRCSA-N 0 3 362.430 -0.436 20 0 FBADHN COc1ccc(CNC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000574169865 483959695 /nfs/dbraw/zinc/95/96/95/483959695.db2.gz HUYQWCMRSQHRDZ-ZIAGYGMSSA-N 0 3 362.430 -0.436 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2nnc3c2CCCC3)CC1 ZINC000574170818 483959341 /nfs/dbraw/zinc/95/93/41/483959341.db2.gz SNYKOEFJFKONGK-UHFFFAOYSA-N 0 3 360.462 -0.077 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000574173438 483960108 /nfs/dbraw/zinc/96/01/08/483960108.db2.gz JLZTXRFIMGLHKU-CABCVRRESA-N 0 3 359.430 -0.381 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000574173439 483959624 /nfs/dbraw/zinc/95/96/24/483959624.db2.gz JLZTXRFIMGLHKU-GJZGRUSLSA-N 0 3 359.430 -0.381 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000574173440 483959550 /nfs/dbraw/zinc/95/95/50/483959550.db2.gz JLZTXRFIMGLHKU-HUUCEWRRSA-N 0 3 359.430 -0.381 20 0 FBADHN CCNC(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000574173441 483959561 /nfs/dbraw/zinc/95/95/61/483959561.db2.gz JLZTXRFIMGLHKU-LSDHHAIUSA-N 0 3 359.430 -0.381 20 0 FBADHN Cc1ncc(CNC2CCN(S(=O)(=O)N3CCOCC3)CC2)n1C ZINC000574174695 483960392 /nfs/dbraw/zinc/96/03/92/483960392.db2.gz ZZJJANFLIOYMES-UHFFFAOYSA-N 0 3 357.480 -0.140 20 0 FBADHN CCC(=O)N1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000574181848 483960051 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CCS(=O)(=O)NCc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000574201151 483962257 /nfs/dbraw/zinc/96/22/57/483962257.db2.gz LPIOOBLSSGXBDU-GJZGRUSLSA-N 0 3 355.460 -0.127 20 0 FBADHN CNS(=O)(=O)CCNC(=O)NCc1ccncc1OCCN(C)C ZINC000574215629 483961094 /nfs/dbraw/zinc/96/10/94/483961094.db2.gz QSYHBMWXSSMVCH-UHFFFAOYSA-N 0 3 359.452 -0.630 20 0 FBADHN C[C@@H](NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN(C)C ZINC000574219858 483962816 /nfs/dbraw/zinc/96/28/16/483962816.db2.gz VJMYSRUMKALBBE-NEPJUHHUSA-N 0 3 367.450 -0.578 20 0 FBADHN C[C@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000574219859 483962738 /nfs/dbraw/zinc/96/27/38/483962738.db2.gz VJMYSRUMKALBBE-NWDGAFQWSA-N 0 3 367.450 -0.578 20 0 FBADHN C[C@H](NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN(C)C ZINC000574219860 483963660 /nfs/dbraw/zinc/96/36/60/483963660.db2.gz VJMYSRUMKALBBE-RYUDHWBXSA-N 0 3 367.450 -0.578 20 0 FBADHN C[C@@H](NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN(C)C ZINC000574219861 483963673 /nfs/dbraw/zinc/96/36/73/483963673.db2.gz VJMYSRUMKALBBE-VXGBXAGGSA-N 0 3 367.450 -0.578 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000574219888 483963636 /nfs/dbraw/zinc/96/36/36/483963636.db2.gz WFKKDRCYHYGZOJ-UHFFFAOYSA-N 0 3 371.445 -0.099 20 0 FBADHN CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574220470 483962896 /nfs/dbraw/zinc/96/28/96/483962896.db2.gz JWZMUJSYDRMKEN-BZUAXINKSA-N 0 3 358.442 -0.106 20 0 FBADHN CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574220471 483962850 /nfs/dbraw/zinc/96/28/50/483962850.db2.gz JWZMUJSYDRMKEN-OAGGEKHMSA-N 0 3 358.442 -0.106 20 0 FBADHN CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574220472 483963309 /nfs/dbraw/zinc/96/33/09/483963309.db2.gz JWZMUJSYDRMKEN-OWCLPIDISA-N 0 3 358.442 -0.106 20 0 FBADHN CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574220473 483963006 /nfs/dbraw/zinc/96/30/06/483963006.db2.gz JWZMUJSYDRMKEN-PMPSAXMXSA-N 0 3 358.442 -0.106 20 0 FBADHN Cc1cc(Cl)cnc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574221254 483963460 /nfs/dbraw/zinc/96/34/60/483963460.db2.gz XMVKGPWEZYAEQR-GHMZBOCLSA-N 0 3 351.794 -0.248 20 0 FBADHN Cc1cc(Cl)cnc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574221255 483962910 /nfs/dbraw/zinc/96/29/10/483962910.db2.gz XMVKGPWEZYAEQR-MNOVXSKESA-N 0 3 351.794 -0.248 20 0 FBADHN Cc1cc(Cl)cnc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574221256 483963122 /nfs/dbraw/zinc/96/31/22/483963122.db2.gz XMVKGPWEZYAEQR-QWRGUYRKSA-N 0 3 351.794 -0.248 20 0 FBADHN Cc1cc(Cl)cnc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574221257 483963715 /nfs/dbraw/zinc/96/37/15/483963715.db2.gz XMVKGPWEZYAEQR-WDEREUQCSA-N 0 3 351.794 -0.248 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000574222967 483963595 /nfs/dbraw/zinc/96/35/95/483963595.db2.gz QMFRCRGWDQFYLZ-INIZCTEOSA-N 0 3 352.479 -0.042 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000574222968 483962995 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/nfs/dbraw/zinc/55/60/40/484556040.db2.gz HMGDBLMVMQIOSB-ZDUSSCGKSA-N 0 3 361.450 -0.009 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N(CCO)CC(F)F)CCCO1 ZINC000574286213 483964776 /nfs/dbraw/zinc/96/47/76/483964776.db2.gz YQNCAXBPSMRMGC-GFCCVEGCSA-N 0 3 351.394 -0.311 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N(CCO)CC(F)F)CCCO1 ZINC000574286214 483965004 /nfs/dbraw/zinc/96/50/04/483965004.db2.gz YQNCAXBPSMRMGC-LBPRGKRZSA-N 0 3 351.394 -0.311 20 0 FBADHN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000574286645 483965696 /nfs/dbraw/zinc/96/56/96/483965696.db2.gz SFNWCDVOFULLLW-OWCLPIDISA-N 0 3 352.479 -0.403 20 0 FBADHN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000574286646 483965525 /nfs/dbraw/zinc/96/55/25/483965525.db2.gz SFNWCDVOFULLLW-PMPSAXMXSA-N 0 3 352.479 -0.403 20 0 FBADHN CNS(=O)(=O)c1cccc2c1CCN(C[C@@H](O)CN(C)CCOC)C2 ZINC000574288809 483965320 /nfs/dbraw/zinc/96/53/20/483965320.db2.gz UWJXONXSZWVESR-HNNXBMFYSA-N 0 3 371.503 -0.108 20 0 FBADHN CNS(=O)(=O)c1cccc2c1CCN(C[C@H](O)CN(C)CCOC)C2 ZINC000574288810 483965397 /nfs/dbraw/zinc/96/53/97/483965397.db2.gz UWJXONXSZWVESR-OAHLLOKOSA-N 0 3 371.503 -0.108 20 0 FBADHN Cc1cccc2c1ncn(CC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)c2=O ZINC000574291540 483965457 /nfs/dbraw/zinc/96/54/57/483965457.db2.gz CFXMPMNEKOXEJY-GXTWGEPZSA-N 0 3 355.398 -0.525 20 0 FBADHN Cc1cccc2c1ncn(CC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)c2=O ZINC000574291542 483965370 /nfs/dbraw/zinc/96/53/70/483965370.db2.gz CFXMPMNEKOXEJY-JSGCOSHPSA-N 0 3 355.398 -0.525 20 0 FBADHN Cc1cccc2c1ncn(CC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)c2=O ZINC000574291543 483967091 /nfs/dbraw/zinc/96/70/91/483967091.db2.gz CFXMPMNEKOXEJY-OCCSQVGLSA-N 0 3 355.398 -0.525 20 0 FBADHN Cc1cccc2c1ncn(CC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)c2=O ZINC000574291545 483966781 /nfs/dbraw/zinc/96/67/81/483966781.db2.gz CFXMPMNEKOXEJY-TZMCWYRMSA-N 0 3 355.398 -0.525 20 0 FBADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574292636 483966635 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373.457 -0.018 20 0 FBADHN COC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000574299846 483967059 /nfs/dbraw/zinc/96/70/59/483967059.db2.gz VOXQPVWNAFRWHB-HNNXBMFYSA-N 0 3 362.430 -0.767 20 0 FBADHN COC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000574299849 483967437 /nfs/dbraw/zinc/96/74/37/483967437.db2.gz VOXQPVWNAFRWHB-OAHLLOKOSA-N 0 3 362.430 -0.767 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000574301314 483966739 /nfs/dbraw/zinc/96/67/39/483966739.db2.gz BGXWKQOJLIUYKV-CABCVRRESA-N 0 3 352.479 -0.044 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000574301315 483967303 /nfs/dbraw/zinc/96/73/03/483967303.db2.gz BGXWKQOJLIUYKV-GJZGRUSLSA-N 0 3 352.479 -0.044 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000574301316 483966769 /nfs/dbraw/zinc/96/67/69/483966769.db2.gz BGXWKQOJLIUYKV-HUUCEWRRSA-N 0 3 352.479 -0.044 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000574301317 483966466 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483968238 /nfs/dbraw/zinc/96/82/38/483968238.db2.gz WJCFBCFPAVPBLV-KGLIPLIRSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1ccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cn2c1 ZINC000574340823 483968373 /nfs/dbraw/zinc/96/83/73/483968373.db2.gz WJCFBCFPAVPBLV-UONOGXRCSA-N 0 3 370.413 -0.971 20 0 FBADHN Cc1ccc2nc(CNC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cn2c1 ZINC000574340824 483969084 /nfs/dbraw/zinc/96/90/84/483969084.db2.gz WJCFBCFPAVPBLV-ZIAGYGMSSA-N 0 3 370.413 -0.971 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000574343377 483968336 /nfs/dbraw/zinc/96/83/36/483968336.db2.gz CLLNNWZJHRGZGB-DLBZAZTESA-N 0 3 365.522 -0.317 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000574343378 483970099 /nfs/dbraw/zinc/97/00/99/483970099.db2.gz CLLNNWZJHRGZGB-IAGOWNOFSA-N 0 3 365.522 -0.317 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000574343379 483970410 /nfs/dbraw/zinc/97/04/10/483970410.db2.gz CLLNNWZJHRGZGB-IRXDYDNUSA-N 0 3 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FBADHN NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000574519293 483977398 /nfs/dbraw/zinc/97/73/98/483977398.db2.gz LXMOTDRISBDUBB-NEPJUHHUSA-N 0 3 367.427 -0.713 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000574519294 483978618 /nfs/dbraw/zinc/97/86/18/483978618.db2.gz LXMOTDRISBDUBB-NWDGAFQWSA-N 0 3 367.427 -0.713 20 0 FBADHN NC[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000574519295 483977872 /nfs/dbraw/zinc/97/78/72/483977872.db2.gz LXMOTDRISBDUBB-RYUDHWBXSA-N 0 3 367.427 -0.713 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000574519296 483978474 /nfs/dbraw/zinc/97/84/74/483978474.db2.gz LXMOTDRISBDUBB-VXGBXAGGSA-N 0 3 367.427 -0.713 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)C2(S(N)(=O)=O)CC2)c1 ZINC000574523764 483979555 /nfs/dbraw/zinc/97/95/55/483979555.db2.gz WMVUXGHRMLMKAM-UHFFFAOYSA-N 0 3 368.459 -0.585 20 0 FBADHN CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)s1 ZINC000574524053 483979932 /nfs/dbraw/zinc/97/99/32/483979932.db2.gz YXEDAHSOYXFYDP-GFCCVEGCSA-N 0 3 360.505 -0.310 20 0 FBADHN CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)s1 ZINC000574524054 483980132 /nfs/dbraw/zinc/98/01/32/483980132.db2.gz YXEDAHSOYXFYDP-LBPRGKRZSA-N 0 3 360.505 -0.310 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)C1 ZINC000574528072 483979638 /nfs/dbraw/zinc/97/96/38/483979638.db2.gz AMSPITPLQAOBLI-GFCCVEGCSA-N 0 3 352.464 -0.037 20 0 FBADHN C[C@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)C1 ZINC000574528073 483979285 /nfs/dbraw/zinc/97/92/85/483979285.db2.gz AMSPITPLQAOBLI-LBPRGKRZSA-N 0 3 352.464 -0.037 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCn3c4ccccc4oc3=O)CCN2C1=O ZINC000574533428 483980562 /nfs/dbraw/zinc/98/05/62/483980562.db2.gz JQNADEXAXZZLQR-NEPJUHHUSA-N 0 3 359.386 -0.452 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCn3c4ccccc4oc3=O)CCN2C1=O ZINC000574533429 483980327 /nfs/dbraw/zinc/98/03/27/483980327.db2.gz JQNADEXAXZZLQR-NWDGAFQWSA-N 0 3 359.386 -0.452 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCn3c4ccccc4oc3=O)CCN2C1=O ZINC000574533430 483979823 /nfs/dbraw/zinc/97/98/23/483979823.db2.gz JQNADEXAXZZLQR-RYUDHWBXSA-N 0 3 359.386 -0.452 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCn3c4ccccc4oc3=O)CCN2C1=O ZINC000574533431 483980770 /nfs/dbraw/zinc/98/07/70/483980770.db2.gz JQNADEXAXZZLQR-VXGBXAGGSA-N 0 3 359.386 -0.452 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@H](CO)CC2CCCC2)n1 ZINC000574535204 484101799 /nfs/dbraw/zinc/10/17/99/484101799.db2.gz RRVJPTYJNPJZKP-AWEZNQCLSA-N 0 3 351.451 0.441 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CCCC2)n1 ZINC000574535205 484102347 /nfs/dbraw/zinc/10/23/47/484102347.db2.gz RRVJPTYJNPJZKP-CQSZACIVSA-N 0 3 351.451 0.441 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@@H]1C ZINC000574539351 483980396 /nfs/dbraw/zinc/98/03/96/483980396.db2.gz VVZQQXCIEZZYDO-BXWFABGCSA-N 0 3 366.506 -0.156 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@H]1C ZINC000574539352 483980016 /nfs/dbraw/zinc/98/00/16/483980016.db2.gz VVZQQXCIEZZYDO-GJYPPUQNSA-N 0 3 366.506 -0.156 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@H]1C ZINC000574539353 483979620 /nfs/dbraw/zinc/97/96/20/483979620.db2.gz VVZQQXCIEZZYDO-JTDSTZFVSA-N 0 3 366.506 -0.156 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@@H]1C ZINC000574539354 483979355 /nfs/dbraw/zinc/97/93/55/483979355.db2.gz VVZQQXCIEZZYDO-TXPKVOOTSA-N 0 3 366.506 -0.156 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000574539369 483979474 /nfs/dbraw/zinc/97/94/74/483979474.db2.gz WXISWFGJKOMCOU-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000574539370 483980828 /nfs/dbraw/zinc/98/08/28/483980828.db2.gz WXISWFGJKOMCOU-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000574545683 483980508 /nfs/dbraw/zinc/98/05/08/483980508.db2.gz SPJNGCCGLGRAHG-UHFFFAOYSA-N 0 3 361.446 -0.066 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000574545702 483980096 /nfs/dbraw/zinc/98/00/96/483980096.db2.gz VJFZRRJHKYURHF-UHFFFAOYSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@]1(O)CCN(C)C1)C2 ZINC000574545978 483979535 /nfs/dbraw/zinc/97/95/35/483979535.db2.gz HYQWXUDHYRKPIS-KRWWSPQJSA-N 0 3 367.494 -0.564 20 0 FBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@]1(O)CC[N@H+](C)C1)C2 ZINC000574545978 483979523 /nfs/dbraw/zinc/97/95/23/483979523.db2.gz HYQWXUDHYRKPIS-KRWWSPQJSA-N 0 3 367.494 -0.564 20 0 FBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@]1(O)CCN(C)C1)C2 ZINC000574545979 483980747 /nfs/dbraw/zinc/98/07/47/483980747.db2.gz HYQWXUDHYRKPIS-MUSFGAPCSA-N 0 3 367.494 -0.564 20 0 FBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C2 ZINC000574545979 483980731 /nfs/dbraw/zinc/98/07/31/483980731.db2.gz HYQWXUDHYRKPIS-MUSFGAPCSA-N 0 3 367.494 -0.564 20 0 FBADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000574563516 483982301 /nfs/dbraw/zinc/98/23/01/483982301.db2.gz ZBURFVWEIMOPEU-UHFFFAOYSA-N 0 3 362.405 -0.068 20 0 FBADHN CCN1CCN(c2ccc(C(=O)NCC(=O)N3CCNCC3)cc2)CC1 ZINC000574571337 483981453 /nfs/dbraw/zinc/98/14/53/483981453.db2.gz KBWMOWJJWYLUHZ-UHFFFAOYSA-N 0 3 359.474 -0.010 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCc1nnnn1CC1CC1 ZINC000574572866 483982516 /nfs/dbraw/zinc/98/25/16/483982516.db2.gz LCLIGZFYFKRAKX-HNNXBMFYSA-N 0 3 369.429 -0.216 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCc1nnnn1CC1CC1 ZINC000574572870 483981860 /nfs/dbraw/zinc/98/18/60/483981860.db2.gz LCLIGZFYFKRAKX-OAHLLOKOSA-N 0 3 369.429 -0.216 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000574580445 483982111 /nfs/dbraw/zinc/98/21/11/483982111.db2.gz GGVUOZOYNIJUCN-INIZCTEOSA-N 0 3 358.508 -0.182 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000574580449 483982087 /nfs/dbraw/zinc/98/20/87/483982087.db2.gz GGVUOZOYNIJUCN-MRXNPFEDSA-N 0 3 358.508 -0.182 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc4ccccc4o3)CCN2C1=O ZINC000574584566 483984010 /nfs/dbraw/zinc/98/40/10/483984010.db2.gz HXOUQMQYVKTNQZ-GXTWGEPZSA-N 0 3 356.382 -0.181 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc4ccccc4o3)CCN2C1=O ZINC000574584567 483984318 /nfs/dbraw/zinc/98/43/18/483984318.db2.gz HXOUQMQYVKTNQZ-JSGCOSHPSA-N 0 3 356.382 -0.181 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc4ccccc4o3)CCN2C1=O ZINC000574584568 483984454 /nfs/dbraw/zinc/98/44/54/483984454.db2.gz HXOUQMQYVKTNQZ-OCCSQVGLSA-N 0 3 356.382 -0.181 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc4ccccc4o3)CCN2C1=O ZINC000574584569 483984562 /nfs/dbraw/zinc/98/45/62/483984562.db2.gz HXOUQMQYVKTNQZ-TZMCWYRMSA-N 0 3 356.382 -0.181 20 0 FBADHN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574585482 483983941 /nfs/dbraw/zinc/98/39/41/483983941.db2.gz WIRGPYPKYVPADX-DMDPSCGWSA-N 0 3 370.413 -0.548 20 0 FBADHN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574585483 483984389 /nfs/dbraw/zinc/98/43/89/483984389.db2.gz WIRGPYPKYVPADX-GMXVVIOVSA-N 0 3 370.413 -0.548 20 0 FBADHN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574585484 483983497 /nfs/dbraw/zinc/98/34/97/483983497.db2.gz WIRGPYPKYVPADX-GVXVVHGQSA-N 0 3 370.413 -0.548 20 0 FBADHN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574585485 483983717 /nfs/dbraw/zinc/98/37/17/483983717.db2.gz WIRGPYPKYVPADX-LOWVWBTDSA-N 0 3 370.413 -0.548 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCOCC2)CC1 ZINC000574596101 483983630 /nfs/dbraw/zinc/98/36/30/483983630.db2.gz PNPYUESHXKPFPT-HNNXBMFYSA-N 0 3 366.462 -0.562 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCOCC2)CC1 ZINC000574596102 483983751 /nfs/dbraw/zinc/98/37/51/483983751.db2.gz PNPYUESHXKPFPT-OAHLLOKOSA-N 0 3 366.462 -0.562 20 0 FBADHN CCC1(CO)CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000574617498 483984681 /nfs/dbraw/zinc/98/46/81/483984681.db2.gz RKYIVOVYZYGHFY-UHFFFAOYSA-N 0 3 356.511 -0.051 20 0 FBADHN CCN1CCN(C(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000574618085 483986792 /nfs/dbraw/zinc/98/67/92/483986792.db2.gz SQYHZLDIRXIPAX-KRWDZBQOSA-N 0 3 365.522 -0.223 20 0 FBADHN CCN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000574618086 483985848 /nfs/dbraw/zinc/98/58/48/483985848.db2.gz SQYHZLDIRXIPAX-QGZVFWFLSA-N 0 3 365.522 -0.223 20 0 FBADHN CN1CCC(CNS(=O)(=O)CCN2CCCC2)(N2CCOCC2)CC1 ZINC000574622032 483985384 /nfs/dbraw/zinc/98/53/84/483985384.db2.gz LFFMOEPDJHSQBF-UHFFFAOYSA-N 0 3 374.551 -0.202 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(-n2ccnn2)cc1 ZINC000574623895 483986013 /nfs/dbraw/zinc/98/60/13/483986013.db2.gz VXGBUOLVEJOONG-BBRMVZONSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(-n2ccnn2)cc1 ZINC000574623896 483986123 /nfs/dbraw/zinc/98/61/23/483986123.db2.gz VXGBUOLVEJOONG-CJNGLKHVSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(-n2ccnn2)cc1 ZINC000574623897 483986296 /nfs/dbraw/zinc/98/62/96/483986296.db2.gz VXGBUOLVEJOONG-CZUORRHYSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(-n2ccnn2)cc1 ZINC000574623898 483986559 /nfs/dbraw/zinc/98/65/59/483986559.db2.gz VXGBUOLVEJOONG-XJKSGUPXSA-N 0 3 371.445 -0.454 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O)CN1CCN(C)CC1 ZINC000574624244 483985694 /nfs/dbraw/zinc/98/56/94/483985694.db2.gz GYKGNBPUGMFYRZ-BRWVUGGUSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O)CN1CCN(C)CC1 ZINC000574624245 483986859 /nfs/dbraw/zinc/98/68/59/483986859.db2.gz GYKGNBPUGMFYRZ-IKGGRYGDSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O)CN1CCN(C)CC1 ZINC000574624246 483985525 /nfs/dbraw/zinc/98/55/25/483985525.db2.gz GYKGNBPUGMFYRZ-IXDOHACOSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O)CN1CCN(C)CC1 ZINC000574624247 483985309 /nfs/dbraw/zinc/98/53/09/483985309.db2.gz GYKGNBPUGMFYRZ-ZACQAIPSSA-N 0 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ZINC000574638526 483986375 /nfs/dbraw/zinc/98/63/75/483986375.db2.gz XADHDKZNPLRORF-ZDUSSCGKSA-N 0 3 352.410 -0.428 20 0 FBADHN CN1CCC(CCO)(NC(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000574640142 483986112 /nfs/dbraw/zinc/98/61/12/483986112.db2.gz FMHCLKVWCPWJED-UHFFFAOYSA-N 0 3 355.460 -0.072 20 0 FBADHN COc1ccc(CCNC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)cc1OC ZINC000574650249 483986745 /nfs/dbraw/zinc/98/67/45/483986745.db2.gz UAGIPHWBCHLQOZ-GJZGRUSLSA-N 0 3 351.447 -0.031 20 0 FBADHN Cc1cc(C)c(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)c1 ZINC000574650984 483985340 /nfs/dbraw/zinc/98/53/40/483985340.db2.gz AQKFKRMWEHDQBB-GDBMZVCRSA-N 0 3 358.442 -0.002 20 0 FBADHN Cc1cc(C)c(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)c1 ZINC000574650985 483985825 /nfs/dbraw/zinc/98/58/25/483985825.db2.gz AQKFKRMWEHDQBB-GOEBONIOSA-N 0 3 358.442 -0.002 20 0 FBADHN Cc1cc(C)c(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1 ZINC000574650986 483986183 /nfs/dbraw/zinc/98/61/83/483986183.db2.gz 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483993494 /nfs/dbraw/zinc/99/34/94/483993494.db2.gz KSRINRFPVRYWFZ-CVEARBPZSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1 ZINC000574770716 483993637 /nfs/dbraw/zinc/99/36/37/483993637.db2.gz KSRINRFPVRYWFZ-HOTGVXAUSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)c1 ZINC000574770719 483994183 /nfs/dbraw/zinc/99/41/83/483994183.db2.gz KSRINRFPVRYWFZ-HZPDHXFCSA-N 0 3 358.442 -0.267 20 0 FBADHN Cc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)c1 ZINC000574770722 483993441 /nfs/dbraw/zinc/99/34/41/483993441.db2.gz KSRINRFPVRYWFZ-JKSUJKDBSA-N 0 3 358.442 -0.267 20 0 FBADHN Cn1ccc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000574770994 483993616 /nfs/dbraw/zinc/99/36/16/483993616.db2.gz NSBWUBULCSNIMF-KBPBESRZSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000574770995 483994277 /nfs/dbraw/zinc/99/42/77/483994277.db2.gz NSBWUBULCSNIMF-KGLIPLIRSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc21 ZINC000574770996 483994342 /nfs/dbraw/zinc/99/43/42/483994342.db2.gz NSBWUBULCSNIMF-UONOGXRCSA-N 0 3 355.398 -0.113 20 0 FBADHN Cn1ccc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000574770998 483994139 /nfs/dbraw/zinc/99/41/39/483994139.db2.gz NSBWUBULCSNIMF-ZIAGYGMSSA-N 0 3 355.398 -0.113 20 0 FBADHN Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)n1 ZINC000574787870 483994096 /nfs/dbraw/zinc/99/40/96/483994096.db2.gz XRBGDTHKAQONJZ-INIZCTEOSA-N 0 3 370.457 -0.102 20 0 FBADHN Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)n1 ZINC000574787874 483993709 /nfs/dbraw/zinc/99/37/09/483993709.db2.gz XRBGDTHKAQONJZ-MRXNPFEDSA-N 0 3 370.457 -0.102 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cn1 ZINC000574796761 483995760 /nfs/dbraw/zinc/99/57/60/483995760.db2.gz KHTPQCLFLVISFM-INIZCTEOSA-N 0 3 368.459 -0.482 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cn1 ZINC000574796762 483994775 /nfs/dbraw/zinc/99/47/75/483994775.db2.gz KHTPQCLFLVISFM-MRXNPFEDSA-N 0 3 368.459 -0.482 20 0 FBADHN COCCOC[C@H](O)CNCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000574803171 483995819 /nfs/dbraw/zinc/99/58/19/483995819.db2.gz JLRKOSBQISQJJQ-PBHICJAKSA-N 0 3 351.403 -0.145 20 0 FBADHN COCCOC[C@H](O)CNCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000574803173 483995672 /nfs/dbraw/zinc/99/56/72/483995672.db2.gz JLRKOSBQISQJJQ-RHSMWYFYSA-N 0 3 351.403 -0.145 20 0 FBADHN COCCOC[C@@H](O)CNCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000574803175 483995518 /nfs/dbraw/zinc/99/55/18/483995518.db2.gz JLRKOSBQISQJJQ-WMLDXEAASA-N 0 3 351.403 -0.145 20 0 FBADHN COCCOC[C@@H](O)CNCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000574803177 483995149 /nfs/dbraw/zinc/99/51/49/483995149.db2.gz JLRKOSBQISQJJQ-YOEHRIQHSA-N 0 3 351.403 -0.145 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000574803925 483995569 /nfs/dbraw/zinc/99/55/69/483995569.db2.gz UNGFRKRYXFSMSP-AWEZNQCLSA-N 0 3 369.443 -0.574 20 0 FBADHN O=C(NC[C@H]1CNCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000574803928 483995406 /nfs/dbraw/zinc/99/54/06/483995406.db2.gz UNGFRKRYXFSMSP-CQSZACIVSA-N 0 3 369.443 -0.574 20 0 FBADHN COc1cc(CNC(=O)CN2CCNCC2=O)ccc1OCCN(C)C ZINC000574813597 483995171 /nfs/dbraw/zinc/99/51/71/483995171.db2.gz AVQKBZWZZOIRHD-UHFFFAOYSA-N 0 3 364.446 -0.316 20 0 FBADHN COCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000574824116 483996653 /nfs/dbraw/zinc/99/66/53/483996653.db2.gz UGLBOXPCXXOAOI-CABCVRRESA-N 0 3 360.414 -0.780 20 0 FBADHN COCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000574824120 483997366 /nfs/dbraw/zinc/99/73/66/483997366.db2.gz UGLBOXPCXXOAOI-GJZGRUSLSA-N 0 3 360.414 -0.780 20 0 FBADHN COCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000574824122 483996724 /nfs/dbraw/zinc/99/67/24/483996724.db2.gz UGLBOXPCXXOAOI-HUUCEWRRSA-N 0 3 360.414 -0.780 20 0 FBADHN COCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000574824123 483997595 /nfs/dbraw/zinc/99/75/95/483997595.db2.gz UGLBOXPCXXOAOI-LSDHHAIUSA-N 0 3 360.414 -0.780 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000574824201 483997628 /nfs/dbraw/zinc/99/76/28/483997628.db2.gz QNDWUDVIVNHKNN-CHWSQXEVSA-N 0 3 358.398 -0.428 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000574824202 483997257 /nfs/dbraw/zinc/99/72/57/483997257.db2.gz QNDWUDVIVNHKNN-OLZOCXBDSA-N 0 3 358.398 -0.428 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000574824203 483996603 /nfs/dbraw/zinc/99/66/03/483996603.db2.gz QNDWUDVIVNHKNN-QWHCGFSZSA-N 0 3 358.398 -0.428 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000574824204 483996505 /nfs/dbraw/zinc/99/65/05/483996505.db2.gz QNDWUDVIVNHKNN-STQMWFEESA-N 0 3 358.398 -0.428 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CCN(CC)CC2)CC1 ZINC000574826307 483997144 /nfs/dbraw/zinc/99/71/44/483997144.db2.gz DYDIGRMXOVKJPC-UHFFFAOYSA-N 0 3 353.511 -0.316 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](C)O)CC1 ZINC000574827484 483997383 /nfs/dbraw/zinc/99/73/83/483997383.db2.gz UBFBHHTVIJGCFO-DZGCQCFKSA-N 0 3 357.451 -0.788 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](C)O)CC1 ZINC000574827485 483997281 /nfs/dbraw/zinc/99/72/81/483997281.db2.gz UBFBHHTVIJGCFO-HIFRSBDPSA-N 0 3 357.451 -0.788 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](C)O)CC1 ZINC000574827486 483997045 /nfs/dbraw/zinc/99/70/45/483997045.db2.gz UBFBHHTVIJGCFO-UKRRQHHQSA-N 0 3 357.451 -0.788 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](C)O)CC1 ZINC000574827487 483997096 /nfs/dbraw/zinc/99/70/96/483997096.db2.gz UBFBHHTVIJGCFO-ZFWWWQNUSA-N 0 3 357.451 -0.788 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCCCn2cccn2)CC1 ZINC000574827805 483997163 /nfs/dbraw/zinc/99/71/63/483997163.db2.gz UIDARPJITSJXOH-UHFFFAOYSA-N 0 3 351.451 -0.041 20 0 FBADHN O=C1NCC[C@H]1CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000574830818 483997775 /nfs/dbraw/zinc/99/77/75/483997775.db2.gz MSCPPGDVHOFOBY-HNNXBMFYSA-N 0 3 360.462 -0.039 20 0 FBADHN O=C1NCC[C@@H]1CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000574830819 483997576 /nfs/dbraw/zinc/99/75/76/483997576.db2.gz MSCPPGDVHOFOBY-OAHLLOKOSA-N 0 3 360.462 -0.039 20 0 FBADHN CN(C[C@@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000574847676 483996632 /nfs/dbraw/zinc/99/66/32/483996632.db2.gz XEROCDLIKPUJAQ-CVEARBPZSA-N 0 3 361.508 -0.432 20 0 FBADHN CN(C[C@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000574847677 483996696 /nfs/dbraw/zinc/99/66/96/483996696.db2.gz XEROCDLIKPUJAQ-HOTGVXAUSA-N 0 3 361.508 -0.432 20 0 FBADHN CN(C[C@@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000574847678 483996983 /nfs/dbraw/zinc/99/69/83/483996983.db2.gz XEROCDLIKPUJAQ-HZPDHXFCSA-N 0 3 361.508 -0.432 20 0 FBADHN CN(C[C@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 ZINC000574847679 483997410 /nfs/dbraw/zinc/99/74/10/483997410.db2.gz XEROCDLIKPUJAQ-JKSUJKDBSA-N 0 3 361.508 -0.432 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[N@H+]2CCCC2(C)C)cn1C ZINC000574854404 483998910 /nfs/dbraw/zinc/99/89/10/483998910.db2.gz HOHPFOUFIZOKTB-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[N@@H+]2CCCC2(C)C)cn1C ZINC000574854404 483998905 /nfs/dbraw/zinc/99/89/05/483998905.db2.gz HOHPFOUFIZOKTB-UHFFFAOYSA-N 0 3 357.480 -0.003 20 0 FBADHN CO[C@@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000574855898 483999078 /nfs/dbraw/zinc/99/90/78/483999078.db2.gz JYZHUSPDMQIPGZ-ARFHVFGLSA-N 0 3 368.478 -0.014 20 0 FBADHN CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000574855899 483998963 /nfs/dbraw/zinc/99/89/63/483998963.db2.gz JYZHUSPDMQIPGZ-BZUAXINKSA-N 0 3 368.478 -0.014 20 0 FBADHN CO[C@@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000574855900 483999006 /nfs/dbraw/zinc/99/90/06/483999006.db2.gz JYZHUSPDMQIPGZ-HRCADAONSA-N 0 3 368.478 -0.014 20 0 FBADHN CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000574855901 483998525 /nfs/dbraw/zinc/99/85/25/483998525.db2.gz JYZHUSPDMQIPGZ-OWCLPIDISA-N 0 3 368.478 -0.014 20 0 FBADHN CN1CCC2(CCCN2C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000574856732 483999176 /nfs/dbraw/zinc/99/91/76/483999176.db2.gz KRTUULTWLJHISW-UHFFFAOYSA-N 0 3 366.506 -0.012 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1F ZINC000574862513 483999392 /nfs/dbraw/zinc/99/93/92/483999392.db2.gz INMZCEMBXGVVNO-CYBMUJFWSA-N 0 3 352.410 -0.058 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1F ZINC000574862514 483999360 /nfs/dbraw/zinc/99/93/60/483999360.db2.gz INMZCEMBXGVVNO-ZDUSSCGKSA-N 0 3 352.410 -0.058 20 0 FBADHN CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)[C@@H](CN)C1 ZINC000574873991 483999356 /nfs/dbraw/zinc/99/93/56/483999356.db2.gz COCSCJYSJAUMPT-AWEZNQCLSA-N 0 3 352.460 -0.158 20 0 FBADHN CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)[C@H](CN)C1 ZINC000574873992 483998829 /nfs/dbraw/zinc/99/88/29/483998829.db2.gz COCSCJYSJAUMPT-CQSZACIVSA-N 0 3 352.460 -0.158 20 0 FBADHN Cc1ccn(C[C@@](C)(O)C(=O)N[C@H](C)C(=O)NCCN(C)C)c(=O)c1 ZINC000574890000 483835264 /nfs/dbraw/zinc/83/52/64/483835264.db2.gz LJZXQDXEPHXNCF-CXAGYDPISA-N 0 3 352.435 -0.910 20 0 FBADHN Cc1ccn(C[C@](C)(O)C(=O)N[C@H](C)C(=O)NCCN(C)C)c(=O)c1 ZINC000574890001 483835590 /nfs/dbraw/zinc/83/55/90/483835590.db2.gz LJZXQDXEPHXNCF-DYVFJYSZSA-N 0 3 352.435 -0.910 20 0 FBADHN Cc1ccn(C[C@](C)(O)C(=O)N[C@@H](C)C(=O)NCCN(C)C)c(=O)c1 ZINC000574890002 483835724 /nfs/dbraw/zinc/83/57/24/483835724.db2.gz LJZXQDXEPHXNCF-GUYCJALGSA-N 0 3 352.435 -0.910 20 0 FBADHN Cc1ccn(C[C@@](C)(O)C(=O)N[C@@H](C)C(=O)NCCN(C)C)c(=O)c1 ZINC000574890003 483837422 /nfs/dbraw/zinc/83/74/22/483837422.db2.gz LJZXQDXEPHXNCF-SUMWQHHRSA-N 0 3 352.435 -0.910 20 0 FBADHN CN1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](CN)C1 ZINC000574906316 484260256 /nfs/dbraw/zinc/26/02/56/484260256.db2.gz OIXOPGTVCSTOHY-KRWDZBQOSA-N 0 3 374.489 -0.381 20 0 FBADHN CN1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)[C@H](CN)C1 ZINC000574906317 484259468 /nfs/dbraw/zinc/25/94/68/484259468.db2.gz OIXOPGTVCSTOHY-QGZVFWFLSA-N 0 3 374.489 -0.381 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCSC2(CCOCC2)C1 ZINC000574909324 484261722 /nfs/dbraw/zinc/26/17/22/484261722.db2.gz SJGNSMSOJBGTAC-UHFFFAOYSA-N 0 3 359.492 -0.195 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000574912080 484261425 /nfs/dbraw/zinc/26/14/25/484261425.db2.gz PAWWEQWVVKQIHB-NEPJUHHUSA-N 0 3 369.443 -0.439 20 0 FBADHN CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000574912081 484262155 /nfs/dbraw/zinc/26/21/55/484262155.db2.gz PAWWEQWVVKQIHB-NWDGAFQWSA-N 0 3 369.443 -0.439 20 0 FBADHN CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000574912082 484261996 /nfs/dbraw/zinc/26/19/96/484261996.db2.gz PAWWEQWVVKQIHB-RYUDHWBXSA-N 0 3 369.443 -0.439 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000574912083 484262311 /nfs/dbraw/zinc/26/23/11/484262311.db2.gz PAWWEQWVVKQIHB-VXGBXAGGSA-N 0 3 369.443 -0.439 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCN2CCCC2=O)CC1 ZINC000574920685 484261627 /nfs/dbraw/zinc/26/16/27/484261627.db2.gz VGCZICGKSPDCLJ-UHFFFAOYSA-N 0 3 351.451 -0.442 20 0 FBADHN C[C@@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)N1CCOCC1 ZINC000574926751 484261801 /nfs/dbraw/zinc/26/18/01/484261801.db2.gz MFQBHTOJGOFTRZ-INIZCTEOSA-N 0 3 354.495 -0.380 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3OCCF)CCN2C1=O ZINC000574928066 484262945 /nfs/dbraw/zinc/26/29/45/484262945.db2.gz HIPPBBHSMCWIPR-NEPJUHHUSA-N 0 3 364.377 -0.256 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3OCCF)CCN2C1=O ZINC000574928067 484262902 /nfs/dbraw/zinc/26/29/02/484262902.db2.gz HIPPBBHSMCWIPR-NWDGAFQWSA-N 0 3 364.377 -0.256 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3OCCF)CCN2C1=O ZINC000574928068 484262967 /nfs/dbraw/zinc/26/29/67/484262967.db2.gz HIPPBBHSMCWIPR-RYUDHWBXSA-N 0 3 364.377 -0.256 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3OCCF)CCN2C1=O ZINC000574928069 484262888 /nfs/dbraw/zinc/26/28/88/484262888.db2.gz HIPPBBHSMCWIPR-VXGBXAGGSA-N 0 3 364.377 -0.256 20 0 FBADHN C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ccncc1OCCN(C)C ZINC000574939158 484263106 /nfs/dbraw/zinc/26/31/06/484263106.db2.gz DHMBBHUCUGUSFY-GFCCVEGCSA-N 0 3 358.464 -0.082 20 0 FBADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccncc1OCCN(C)C ZINC000574939159 484263989 /nfs/dbraw/zinc/26/39/89/484263989.db2.gz DHMBBHUCUGUSFY-LBPRGKRZSA-N 0 3 358.464 -0.082 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)CC1 ZINC000574940075 484262913 /nfs/dbraw/zinc/26/29/13/484262913.db2.gz SPPVTPKTHCREQD-CABCVRRESA-N 0 3 373.494 -0.418 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000574940076 484263698 /nfs/dbraw/zinc/26/36/98/484263698.db2.gz SPPVTPKTHCREQD-GJZGRUSLSA-N 0 3 373.494 -0.418 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000574940077 484263173 /nfs/dbraw/zinc/26/31/73/484263173.db2.gz SPPVTPKTHCREQD-HUUCEWRRSA-N 0 3 373.494 -0.418 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000574940078 484263204 /nfs/dbraw/zinc/26/32/04/484263204.db2.gz SPPVTPKTHCREQD-LSDHHAIUSA-N 0 3 373.494 -0.418 20 0 FBADHN Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2C2CC2)cn1 ZINC000574954306 484277350 /nfs/dbraw/zinc/27/73/50/484277350.db2.gz DTSXKLQOVYRCNK-CYBMUJFWSA-N 0 3 355.464 -0.169 20 0 FBADHN Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2C2CC2)cn1 ZINC000574954307 484277128 /nfs/dbraw/zinc/27/71/28/484277128.db2.gz DTSXKLQOVYRCNK-ZDUSSCGKSA-N 0 3 355.464 -0.169 20 0 FBADHN COCCN(C)CCNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000574966320 484285870 /nfs/dbraw/zinc/28/58/70/484285870.db2.gz YLNQIEGKNLEBRJ-UHFFFAOYSA-N 0 3 371.459 -0.138 20 0 FBADHN CN1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000574984679 484038876 /nfs/dbraw/zinc/03/88/76/484038876.db2.gz QHBWLLTZHQNKDC-HNNXBMFYSA-N 0 3 365.478 -0.196 20 0 FBADHN CN1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000574984680 484038611 /nfs/dbraw/zinc/03/86/11/484038611.db2.gz QHBWLLTZHQNKDC-OAHLLOKOSA-N 0 3 365.478 -0.196 20 0 FBADHN C[C@@H](NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)NCCN(C)C ZINC000575001626 484325670 /nfs/dbraw/zinc/32/56/70/484325670.db2.gz JFHFZCTYJYMRTJ-GFCCVEGCSA-N 0 3 370.475 -0.217 20 0 FBADHN C[C@H](NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(=O)NCCN(C)C ZINC000575001627 484324770 /nfs/dbraw/zinc/32/47/70/484324770.db2.gz JFHFZCTYJYMRTJ-LBPRGKRZSA-N 0 3 370.475 -0.217 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000575020942 484000805 /nfs/dbraw/zinc/00/08/05/484000805.db2.gz JDCIEAHEVFBBJK-UHFFFAOYSA-N 0 3 364.450 -0.374 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000575034581 484000397 /nfs/dbraw/zinc/00/03/97/484000397.db2.gz RLHWVGLKLGZILM-MSOLQXFVSA-N 0 3 352.479 -0.234 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000575034582 485295289 /nfs/dbraw/zinc/29/52/89/485295289.db2.gz RLHWVGLKLGZILM-QZTJIDSGSA-N 0 3 352.479 -0.234 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000575034583 485294031 /nfs/dbraw/zinc/29/40/31/485294031.db2.gz RLHWVGLKLGZILM-ROUUACIJSA-N 0 3 352.479 -0.234 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000575034584 485295723 /nfs/dbraw/zinc/29/57/23/485295723.db2.gz RLHWVGLKLGZILM-ZWKOTPCHSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC3CC3)CC2)C[C@H](C)O1 ZINC000575055656 483999980 /nfs/dbraw/zinc/99/99/80/483999980.db2.gz BIXAZURKEQLMGU-BETUJISGSA-N 0 3 360.480 -0.763 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC3CC3)CC2)C[C@@H](C)O1 ZINC000575055657 484000952 /nfs/dbraw/zinc/00/09/52/484000952.db2.gz BIXAZURKEQLMGU-CHWSQXEVSA-N 0 3 360.480 -0.763 20 0 FBADHN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC3CC3)CC2)C[C@H](C)O1 ZINC000575055658 484001331 /nfs/dbraw/zinc/00/13/31/484001331.db2.gz BIXAZURKEQLMGU-STQMWFEESA-N 0 3 360.480 -0.763 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000575059709 484001253 /nfs/dbraw/zinc/00/12/53/484001253.db2.gz GUFSALICQQWLTN-BBRMVZONSA-N 0 3 356.426 -0.049 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000575059710 484000778 /nfs/dbraw/zinc/00/07/78/484000778.db2.gz GUFSALICQQWLTN-CJNGLKHVSA-N 0 3 356.426 -0.049 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000575059711 484000976 /nfs/dbraw/zinc/00/09/76/484000976.db2.gz GUFSALICQQWLTN-CZUORRHYSA-N 0 3 356.426 -0.049 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000575059712 484001005 /nfs/dbraw/zinc/00/10/05/484001005.db2.gz GUFSALICQQWLTN-XJKSGUPXSA-N 0 3 356.426 -0.049 20 0 FBADHN COCC(=O)Nc1cccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)c1 ZINC000575060269 484285374 /nfs/dbraw/zinc/28/53/74/484285374.db2.gz BOFIKQZEHJODHM-INIZCTEOSA-N 0 3 350.419 -0.013 20 0 FBADHN COC(CNC(=O)CN1CC[C@H](C)C1)CNC(=O)CN1CC[C@H](C)C1 ZINC000575070743 484002969 /nfs/dbraw/zinc/00/29/69/484002969.db2.gz FUXKVBMAUOBRCA-GJZGRUSLSA-N 0 3 354.495 -0.083 20 0 FBADHN COC(CNC(=O)CN1CC[C@@H](C)C1)CNC(=O)CN1CC[C@@H](C)C1 ZINC000575070747 484002362 /nfs/dbraw/zinc/00/23/62/484002362.db2.gz FUXKVBMAUOBRCA-HUUCEWRRSA-N 0 3 354.495 -0.083 20 0 FBADHN CO[C@H](CNC(=O)CN1CC[C@@H](C)C1)CNC(=O)CN1CC[C@H](C)C1 ZINC000575070748 484003222 /nfs/dbraw/zinc/00/32/22/484003222.db2.gz FUXKVBMAUOBRCA-MUJYYYPQSA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1cccs1 ZINC000575073457 484003118 /nfs/dbraw/zinc/00/31/18/484003118.db2.gz BRMGUNWZYVQMSJ-OBJOEFQTSA-N 0 3 364.471 -0.187 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1cccs1 ZINC000575073458 484002701 /nfs/dbraw/zinc/00/27/01/484002701.db2.gz BRMGUNWZYVQMSJ-OUCADQQQSA-N 0 3 364.471 -0.187 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1cccs1 ZINC000575073459 484003146 /nfs/dbraw/zinc/00/31/46/484003146.db2.gz BRMGUNWZYVQMSJ-SCRDCRAPSA-N 0 3 364.471 -0.187 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1cccs1 ZINC000575073460 484002709 /nfs/dbraw/zinc/00/27/09/484002709.db2.gz BRMGUNWZYVQMSJ-SGMGOOAPSA-N 0 3 364.471 -0.187 20 0 FBADHN COC1CCC(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000575073490 484002878 /nfs/dbraw/zinc/00/28/78/484002878.db2.gz DRZOTLWFDSRMCQ-FKZOYECMSA-N 0 3 352.435 -0.922 20 0 FBADHN COC1CCC(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000575073491 484002457 /nfs/dbraw/zinc/00/24/57/484002457.db2.gz DRZOTLWFDSRMCQ-GNRIBBGQSA-N 0 3 352.435 -0.922 20 0 FBADHN COC1CCC(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000575073492 484002107 /nfs/dbraw/zinc/00/21/07/484002107.db2.gz DRZOTLWFDSRMCQ-HHTDUIENSA-N 0 3 352.435 -0.922 20 0 FBADHN COC1CCC(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000575073493 484002236 /nfs/dbraw/zinc/00/22/36/484002236.db2.gz DRZOTLWFDSRMCQ-YIOUJQMASA-N 0 3 352.435 -0.922 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CCN2C1=O ZINC000575073632 484003269 /nfs/dbraw/zinc/00/32/69/484003269.db2.gz NVYIHNQPZMZQKF-ARFHVFGLSA-N 0 3 371.441 -0.259 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CCN2C1=O ZINC000575073633 484002617 /nfs/dbraw/zinc/00/26/17/484002617.db2.gz NVYIHNQPZMZQKF-BZUAXINKSA-N 0 3 371.441 -0.259 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CCN2C1=O ZINC000575073634 484003252 /nfs/dbraw/zinc/00/32/52/484003252.db2.gz NVYIHNQPZMZQKF-OAGGEKHMSA-N 0 3 371.441 -0.259 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CCN2C1=O ZINC000575073635 484002594 /nfs/dbraw/zinc/00/25/94/484002594.db2.gz NVYIHNQPZMZQKF-XHSDSOJGSA-N 0 3 371.441 -0.259 20 0 FBADHN CCc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cs1 ZINC000575073761 484002916 /nfs/dbraw/zinc/00/29/16/484002916.db2.gz VGNUEHSFABMHPK-NEPJUHHUSA-N 0 3 365.459 -0.865 20 0 FBADHN CCc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cs1 ZINC000575073762 484334406 /nfs/dbraw/zinc/33/44/06/484334406.db2.gz VGNUEHSFABMHPK-NWDGAFQWSA-N 0 3 365.459 -0.865 20 0 FBADHN CCc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cs1 ZINC000575073763 484334667 /nfs/dbraw/zinc/33/46/67/484334667.db2.gz VGNUEHSFABMHPK-RYUDHWBXSA-N 0 3 365.459 -0.865 20 0 FBADHN CCc1nc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cs1 ZINC000575073764 484335162 /nfs/dbraw/zinc/33/51/62/484335162.db2.gz VGNUEHSFABMHPK-VXGBXAGGSA-N 0 3 365.459 -0.865 20 0 FBADHN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000575076308 484002055 /nfs/dbraw/zinc/00/20/55/484002055.db2.gz MWPQYLNTLNQILY-AWEZNQCLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000575076309 484002652 /nfs/dbraw/zinc/00/26/52/484002652.db2.gz MWPQYLNTLNQILY-CQSZACIVSA-N 0 3 352.479 -0.092 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000575077783 484002167 /nfs/dbraw/zinc/00/21/67/484002167.db2.gz PEIUTYJSKOGFAQ-CYBMUJFWSA-N 0 3 355.357 -0.403 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000575077784 484002941 /nfs/dbraw/zinc/00/29/41/484002941.db2.gz PEIUTYJSKOGFAQ-ZDUSSCGKSA-N 0 3 355.357 -0.403 20 0 FBADHN COc1cnccc1N1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000575108559 484005022 /nfs/dbraw/zinc/00/50/22/484005022.db2.gz SFABCPYKOHVBFX-UHFFFAOYSA-N 0 3 361.446 -0.049 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1c(C)nn(C)c1C ZINC000575109769 483931117 /nfs/dbraw/zinc/93/11/17/483931117.db2.gz ZFDMCABFRPVPQY-KBPBESRZSA-N 0 3 350.467 -0.294 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1c(C)nn(C)c1C ZINC000575109770 483931038 /nfs/dbraw/zinc/93/10/38/483931038.db2.gz ZFDMCABFRPVPQY-KGLIPLIRSA-N 0 3 350.467 -0.294 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1c(C)nn(C)c1C ZINC000575109771 483932095 /nfs/dbraw/zinc/93/20/95/483932095.db2.gz ZFDMCABFRPVPQY-UONOGXRCSA-N 0 3 350.467 -0.294 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1c(C)nn(C)c1C ZINC000575109772 483930832 /nfs/dbraw/zinc/93/08/32/483930832.db2.gz ZFDMCABFRPVPQY-ZIAGYGMSSA-N 0 3 350.467 -0.294 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccccc2Cn2cncn2)[C@@H](CN)C1 ZINC000575127923 484006264 /nfs/dbraw/zinc/00/62/64/484006264.db2.gz VFBVCUHPSAAADS-AWEZNQCLSA-N 0 3 350.448 -0.410 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccccc2Cn2cncn2)[C@H](CN)C1 ZINC000575127924 484005918 /nfs/dbraw/zinc/00/59/18/484005918.db2.gz VFBVCUHPSAAADS-CQSZACIVSA-N 0 3 350.448 -0.410 20 0 FBADHN Cc1nn(C)c2ncc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc12 ZINC000575138852 484006173 /nfs/dbraw/zinc/00/61/73/484006173.db2.gz OUNQCLUPEXJKPJ-GWCFXTLKSA-N 0 3 364.431 -0.791 20 0 FBADHN Cc1nn(C)c2ncc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc12 ZINC000575138853 484006626 /nfs/dbraw/zinc/00/66/26/484006626.db2.gz OUNQCLUPEXJKPJ-GXFFZTMASA-N 0 3 364.431 -0.791 20 0 FBADHN Cc1nn(C)c2ncc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc12 ZINC000575138854 484006587 /nfs/dbraw/zinc/00/65/87/484006587.db2.gz OUNQCLUPEXJKPJ-MFKMUULPSA-N 0 3 364.431 -0.791 20 0 FBADHN Cc1nn(C)c2ncc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc12 ZINC000575138855 484006694 /nfs/dbraw/zinc/00/66/94/484006694.db2.gz OUNQCLUPEXJKPJ-ZWNOBZJWSA-N 0 3 364.431 -0.791 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000575142210 484006195 /nfs/dbraw/zinc/00/61/95/484006195.db2.gz ZBYLGULNBNKMPQ-UHFFFAOYSA-N 0 3 374.445 -0.085 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000575161582 484007542 /nfs/dbraw/zinc/00/75/42/484007542.db2.gz HJKXZKVJXDBKEA-HNNXBMFYSA-N 0 3 361.446 -0.106 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000575161583 484008620 /nfs/dbraw/zinc/00/86/20/484008620.db2.gz HJKXZKVJXDBKEA-OAHLLOKOSA-N 0 3 361.446 -0.106 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000575161689 484008331 /nfs/dbraw/zinc/00/83/31/484008331.db2.gz NRRMFNVLZVESTK-CYBMUJFWSA-N 0 3 362.434 -0.687 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000575161690 484007529 /nfs/dbraw/zinc/00/75/29/484007529.db2.gz NRRMFNVLZVESTK-ZDUSSCGKSA-N 0 3 362.434 -0.687 20 0 FBADHN CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000575179165 484008077 /nfs/dbraw/zinc/00/80/77/484008077.db2.gz ITJXYBFZRJJJPT-AWEZNQCLSA-N 0 3 354.476 -0.371 20 0 FBADHN CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000575179166 484007713 /nfs/dbraw/zinc/00/77/13/484007713.db2.gz ITJXYBFZRJJJPT-CQSZACIVSA-N 0 3 354.476 -0.371 20 0 FBADHN CN(C(=O)[C@@H]1CCCCN1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000575181820 484010133 /nfs/dbraw/zinc/01/01/33/484010133.db2.gz DAQVECODCBBKRA-KRWDZBQOSA-N 0 3 365.522 -0.175 20 0 FBADHN COCCN(C)C[C@H](O)Cn1nnc(CN(C)C(=O)c2ccccc2)n1 ZINC000575195719 484010000 /nfs/dbraw/zinc/01/00/00/484010000.db2.gz SMEFCMDXJRVHRU-HNNXBMFYSA-N 0 3 362.434 -0.116 20 0 FBADHN COCCN(C)C[C@@H](O)Cn1nnc(CN(C)C(=O)c2ccccc2)n1 ZINC000575195720 484010404 /nfs/dbraw/zinc/01/04/04/484010404.db2.gz SMEFCMDXJRVHRU-OAHLLOKOSA-N 0 3 362.434 -0.116 20 0 FBADHN COc1cccc(CNC(=O)C(C)S(=O)(=O)Cc2nnn(C)n2)c1 ZINC000575195932 484009820 /nfs/dbraw/zinc/00/98/20/484009820.db2.gz ADXDTNZNYAKCTC-JTQLQIEISA-N 0 3 353.404 -0.162 20 0 FBADHN COc1cccc(CNC(=O)C(C)S(=O)(=O)Cc2nnn(C)n2)c1 ZINC000575195933 484009750 /nfs/dbraw/zinc/00/97/50/484009750.db2.gz ADXDTNZNYAKCTC-SNVBAGLBSA-N 0 3 353.404 -0.162 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000575196484 484009714 /nfs/dbraw/zinc/00/97/14/484009714.db2.gz NAPJWSOCWSYIJR-INIZCTEOSA-N 0 3 360.458 -0.034 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000575196485 484010083 /nfs/dbraw/zinc/01/00/83/484010083.db2.gz NAPJWSOCWSYIJR-MRXNPFEDSA-N 0 3 360.458 -0.034 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc4ncccc4c3)CCN2C1=O ZINC000575197025 484010629 /nfs/dbraw/zinc/01/06/29/484010629.db2.gz CFMFSBZBOLZRHZ-CABCVRRESA-N 0 3 367.409 -0.379 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc4ncccc4c3)CCN2C1=O ZINC000575197026 484009850 /nfs/dbraw/zinc/00/98/50/484009850.db2.gz CFMFSBZBOLZRHZ-GJZGRUSLSA-N 0 3 367.409 -0.379 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc4ncccc4c3)CCN2C1=O ZINC000575197027 484009566 /nfs/dbraw/zinc/00/95/66/484009566.db2.gz CFMFSBZBOLZRHZ-HUUCEWRRSA-N 0 3 367.409 -0.379 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc4ncccc4c3)CCN2C1=O ZINC000575197028 484009314 /nfs/dbraw/zinc/00/93/14/484009314.db2.gz CFMFSBZBOLZRHZ-LSDHHAIUSA-N 0 3 367.409 -0.379 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@H]2COCCO2)cc1 ZINC000575200625 484009773 /nfs/dbraw/zinc/00/97/73/484009773.db2.gz FRLSLPOOFZNJMC-INIZCTEOSA-N 0 3 365.430 -0.225 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2COCCO2)cc1 ZINC000575200626 484009921 /nfs/dbraw/zinc/00/99/21/484009921.db2.gz FRLSLPOOFZNJMC-MRXNPFEDSA-N 0 3 365.430 -0.225 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)NCCCN1CCC(O)CC1 ZINC000575222973 484012547 /nfs/dbraw/zinc/01/25/47/484012547.db2.gz CGBRDOAYEFRYLI-UHFFFAOYSA-N 0 3 355.460 -0.072 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCN1C ZINC000575226532 484011830 /nfs/dbraw/zinc/01/18/30/484011830.db2.gz XKLGQJBULOMXFH-KBPBESRZSA-N 0 3 361.512 -0.007 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCN1C ZINC000575226533 484012418 /nfs/dbraw/zinc/01/24/18/484012418.db2.gz XKLGQJBULOMXFH-KGLIPLIRSA-N 0 3 361.512 -0.007 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCN1C ZINC000575226534 484011447 /nfs/dbraw/zinc/01/14/47/484011447.db2.gz XKLGQJBULOMXFH-UONOGXRCSA-N 0 3 361.512 -0.007 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCN1C ZINC000575226535 484012088 /nfs/dbraw/zinc/01/20/88/484012088.db2.gz XKLGQJBULOMXFH-ZIAGYGMSSA-N 0 3 361.512 -0.007 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@@H]1N(C)C ZINC000575228640 484012635 /nfs/dbraw/zinc/01/26/35/484012635.db2.gz RGSUZTWKDAHNKT-BNOWGMLFSA-N 0 3 351.451 -0.543 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@H]1N(C)C ZINC000575228641 484012660 /nfs/dbraw/zinc/01/26/60/484012660.db2.gz RGSUZTWKDAHNKT-KWCYVHTRSA-N 0 3 351.451 -0.543 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@H]1N(C)C ZINC000575228642 484012679 /nfs/dbraw/zinc/01/26/79/484012679.db2.gz RGSUZTWKDAHNKT-MRVWCRGKSA-N 0 3 351.451 -0.543 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@@H]1N(C)C ZINC000575228643 484012618 /nfs/dbraw/zinc/01/26/18/484012618.db2.gz RGSUZTWKDAHNKT-XBFCOCLRSA-N 0 3 351.451 -0.543 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1nc(C(C)(C)C)no1 ZINC000575236754 484012681 /nfs/dbraw/zinc/01/26/81/484012681.db2.gz ZDMUGLNTZOQZHH-GHMZBOCLSA-N 0 3 352.439 -0.354 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nc(C(C)(C)C)no1 ZINC000575236755 484011599 /nfs/dbraw/zinc/01/15/99/484011599.db2.gz ZDMUGLNTZOQZHH-MNOVXSKESA-N 0 3 352.439 -0.354 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nc(C(C)(C)C)no1 ZINC000575236756 484012261 /nfs/dbraw/zinc/01/22/61/484012261.db2.gz ZDMUGLNTZOQZHH-QWRGUYRKSA-N 0 3 352.439 -0.354 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1nc(C(C)(C)C)no1 ZINC000575236757 484011586 /nfs/dbraw/zinc/01/15/86/484011586.db2.gz ZDMUGLNTZOQZHH-WDEREUQCSA-N 0 3 352.439 -0.354 20 0 FBADHN CCOC(=O)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000575243615 484012529 /nfs/dbraw/zinc/01/25/29/484012529.db2.gz SQBJBQARTFNHSJ-AWEZNQCLSA-N 0 3 354.451 -0.721 20 0 FBADHN CCOC(=O)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000575243616 484011613 /nfs/dbraw/zinc/01/16/13/484011613.db2.gz SQBJBQARTFNHSJ-CQSZACIVSA-N 0 3 354.451 -0.721 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@H]1CS(=O)(=O)CCO1 ZINC000575248656 484011397 /nfs/dbraw/zinc/01/13/97/484011397.db2.gz OKOXRJPQHGAHAN-NEPJUHHUSA-N 0 3 368.411 -0.953 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@@H]1CS(=O)(=O)CCO1 ZINC000575248657 484012484 /nfs/dbraw/zinc/01/24/84/484012484.db2.gz OKOXRJPQHGAHAN-NWDGAFQWSA-N 0 3 368.411 -0.953 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@H]1CS(=O)(=O)CCO1 ZINC000575248658 484011662 /nfs/dbraw/zinc/01/16/62/484011662.db2.gz OKOXRJPQHGAHAN-RYUDHWBXSA-N 0 3 368.411 -0.953 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@@H]1CS(=O)(=O)CCO1 ZINC000575248659 484012349 /nfs/dbraw/zinc/01/23/49/484012349.db2.gz OKOXRJPQHGAHAN-VXGBXAGGSA-N 0 3 368.411 -0.953 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCC3)CCN2C1=O ZINC000575331996 484014332 /nfs/dbraw/zinc/01/43/32/484014332.db2.gz KVSCVFGVAJQSOP-KBPBESRZSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCC3)CCN2C1=O ZINC000575331997 484013476 /nfs/dbraw/zinc/01/34/76/484013476.db2.gz KVSCVFGVAJQSOP-KGLIPLIRSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCC3)CCN2C1=O ZINC000575331998 484013561 /nfs/dbraw/zinc/01/35/61/484013561.db2.gz KVSCVFGVAJQSOP-UONOGXRCSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCC3)CCN2C1=O ZINC000575331999 484014010 /nfs/dbraw/zinc/01/40/10/484014010.db2.gz KVSCVFGVAJQSOP-ZIAGYGMSSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCc3cccc(F)c3)CCN2C1=O ZINC000575332041 484013881 /nfs/dbraw/zinc/01/38/81/484013881.db2.gz MGAYFWJBUCHUHD-CABCVRRESA-N 0 3 362.405 -0.355 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCc3cccc(F)c3)CCN2C1=O ZINC000575332042 484013860 /nfs/dbraw/zinc/01/38/60/484013860.db2.gz MGAYFWJBUCHUHD-GJZGRUSLSA-N 0 3 362.405 -0.355 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCc3cccc(F)c3)CCN2C1=O ZINC000575332043 484013995 /nfs/dbraw/zinc/01/39/95/484013995.db2.gz MGAYFWJBUCHUHD-HUUCEWRRSA-N 0 3 362.405 -0.355 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCc3cccc(F)c3)CCN2C1=O ZINC000575332044 484014684 /nfs/dbraw/zinc/01/46/84/484014684.db2.gz MGAYFWJBUCHUHD-LSDHHAIUSA-N 0 3 362.405 -0.355 20 0 FBADHN COc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000575332153 484014474 /nfs/dbraw/zinc/01/44/74/484014474.db2.gz OUHXDGKUDQOBRT-GZMMTYOYSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000575332156 484014746 /nfs/dbraw/zinc/01/47/46/484014746.db2.gz OUHXDGKUDQOBRT-KCJUWKMLSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000575332157 484013970 /nfs/dbraw/zinc/01/39/70/484013970.db2.gz OUHXDGKUDQOBRT-KWQFWETISA-N 0 3 368.340 -0.318 20 0 FBADHN COc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000575332158 484014384 /nfs/dbraw/zinc/01/43/84/484014384.db2.gz OUHXDGKUDQOBRT-LDYMZIIASA-N 0 3 368.340 -0.318 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nccs1 ZINC000575332408 484013769 /nfs/dbraw/zinc/01/37/69/484013769.db2.gz WSECRZYECCKQEK-GMTAPVOTSA-N 0 3 351.432 -0.867 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1nccs1 ZINC000575332409 484014074 /nfs/dbraw/zinc/01/40/74/484014074.db2.gz WSECRZYECCKQEK-MXWKQRLJSA-N 0 3 351.432 -0.867 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nccs1 ZINC000575332410 484013498 /nfs/dbraw/zinc/01/34/98/484013498.db2.gz WSECRZYECCKQEK-OUAUKWLOSA-N 0 3 351.432 -0.867 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nccs1 ZINC000575332411 484014029 /nfs/dbraw/zinc/01/40/29/484014029.db2.gz WSECRZYECCKQEK-VWYCJHECSA-N 0 3 351.432 -0.867 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nnnn1-c1ccccc1 ZINC000575332497 484013581 /nfs/dbraw/zinc/01/35/81/484013581.db2.gz ZNWYDEVCAGDGHV-AAEUAGOBSA-N 0 3 373.417 -0.492 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nnnn1-c1ccccc1 ZINC000575332498 484013642 /nfs/dbraw/zinc/01/36/42/484013642.db2.gz ZNWYDEVCAGDGHV-DGCLKSJQSA-N 0 3 373.417 -0.492 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nnnn1-c1ccccc1 ZINC000575332499 484013924 /nfs/dbraw/zinc/01/39/24/484013924.db2.gz ZNWYDEVCAGDGHV-WCQYABFASA-N 0 3 373.417 -0.492 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nnnn1-c1ccccc1 ZINC000575332500 484013364 /nfs/dbraw/zinc/01/33/64/484013364.db2.gz ZNWYDEVCAGDGHV-YPMHNXCESA-N 0 3 373.417 -0.492 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000575340347 484014123 /nfs/dbraw/zinc/01/41/23/484014123.db2.gz OSWGAMKWVXCIKT-LBPRGKRZSA-N 0 3 350.410 -0.222 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)[C@@H](C)CO1 ZINC000575347225 484015440 /nfs/dbraw/zinc/01/54/40/484015440.db2.gz QPGCPUHKDQPROE-KBPBESRZSA-N 0 3 368.478 -0.319 20 0 FBADHN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000575347226 484015862 /nfs/dbraw/zinc/01/58/62/484015862.db2.gz QPGCPUHKDQPROE-KGLIPLIRSA-N 0 3 368.478 -0.319 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)[C@@H](C)CO1 ZINC000575347227 484015418 /nfs/dbraw/zinc/01/54/18/484015418.db2.gz QPGCPUHKDQPROE-UONOGXRCSA-N 0 3 368.478 -0.319 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)[C@H](C)CO1 ZINC000575347228 484016297 /nfs/dbraw/zinc/01/62/97/484016297.db2.gz QPGCPUHKDQPROE-ZIAGYGMSSA-N 0 3 368.478 -0.319 20 0 FBADHN CCC(=O)N1CCCN(C(=O)C(=O)NCCN(C)CCCOC)CC1 ZINC000575350058 484016192 /nfs/dbraw/zinc/01/61/92/484016192.db2.gz FEARUZQLKRIUOV-UHFFFAOYSA-N 0 3 356.467 -0.458 20 0 FBADHN CCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000575354306 484015753 /nfs/dbraw/zinc/01/57/53/484015753.db2.gz BXLRAUJYVJRKSR-AWEZNQCLSA-N 0 3 369.491 -0.231 20 0 FBADHN CCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000575354307 484015954 /nfs/dbraw/zinc/01/59/54/484015954.db2.gz BXLRAUJYVJRKSR-CQSZACIVSA-N 0 3 369.491 -0.231 20 0 FBADHN CN(C)CC(=O)N(C)CCN(CCN1CCCCC1)C(=O)CN(C)C ZINC000575368204 484015853 /nfs/dbraw/zinc/01/58/53/484015853.db2.gz YJDDFCIBVAVKLA-UHFFFAOYSA-N 0 3 355.527 -0.118 20 0 FBADHN COC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)O1 ZINC000575372563 484015829 /nfs/dbraw/zinc/01/58/29/484015829.db2.gz LKPDOEGELODJSE-UONOGXRCSA-N 0 3 353.419 -0.526 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCCNS(=O)(=O)c2cccnc2)C[C@@H](C)O1 ZINC000575377558 484015797 /nfs/dbraw/zinc/01/57/97/484015797.db2.gz VUICMYXUHPYDMA-KFWWJZLASA-N 0 3 372.491 -0.580 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCCNS(=O)(=O)c2cccnc2)C[C@H](C)O1 ZINC000575377559 484016049 /nfs/dbraw/zinc/01/60/49/484016049.db2.gz VUICMYXUHPYDMA-QLFBSQMISA-N 0 3 372.491 -0.580 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCCNS(=O)(=O)c2cccnc2)C[C@@H](C)O1 ZINC000575377560 484016271 /nfs/dbraw/zinc/01/62/71/484016271.db2.gz VUICMYXUHPYDMA-RBSFLKMASA-N 0 3 372.491 -0.580 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCCNS(=O)(=O)c2cccnc2)C[C@H](C)O1 ZINC000575377561 484015385 /nfs/dbraw/zinc/01/53/85/484015385.db2.gz VUICMYXUHPYDMA-ZNMIVQPWSA-N 0 3 372.491 -0.580 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NC3CCN(CC(F)(F)F)CC3)CCN2C1=O ZINC000575431695 484018347 /nfs/dbraw/zinc/01/83/47/484018347.db2.gz XRLJUXZPZQWHRC-NEPJUHHUSA-N 0 3 363.384 -0.034 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NC3CCN(CC(F)(F)F)CC3)CCN2C1=O ZINC000575431696 484018576 /nfs/dbraw/zinc/01/85/76/484018576.db2.gz XRLJUXZPZQWHRC-NWDGAFQWSA-N 0 3 363.384 -0.034 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NC3CCN(CC(F)(F)F)CC3)CCN2C1=O ZINC000575431697 484018213 /nfs/dbraw/zinc/01/82/13/484018213.db2.gz XRLJUXZPZQWHRC-RYUDHWBXSA-N 0 3 363.384 -0.034 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NC3CCN(CC(F)(F)F)CC3)CCN2C1=O ZINC000575431698 484018993 /nfs/dbraw/zinc/01/89/93/484018993.db2.gz XRLJUXZPZQWHRC-VXGBXAGGSA-N 0 3 363.384 -0.034 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000575435920 484018035 /nfs/dbraw/zinc/01/80/35/484018035.db2.gz DVCIGMKJBACZSL-HNNXBMFYSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000575435921 484018485 /nfs/dbraw/zinc/01/84/85/484018485.db2.gz DVCIGMKJBACZSL-OAHLLOKOSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@@H]1CSC[C@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000575447991 484020715 /nfs/dbraw/zinc/02/07/15/484020715.db2.gz GRBKOICSPXBXEK-HZSPNIEDSA-N 0 3 361.533 -0.341 20 0 FBADHN C[C@@H]1CSC[C@@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000575447992 484020414 /nfs/dbraw/zinc/02/04/14/484020414.db2.gz GRBKOICSPXBXEK-MCIONIFRSA-N 0 3 361.533 -0.341 20 0 FBADHN C[C@@H]1CSC[C@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000575447993 484021064 /nfs/dbraw/zinc/02/10/64/484021064.db2.gz GRBKOICSPXBXEK-MGPQQGTHSA-N 0 3 361.533 -0.341 20 0 FBADHN C[C@@H]1CSC[C@@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000575447994 484020945 /nfs/dbraw/zinc/02/09/45/484020945.db2.gz GRBKOICSPXBXEK-RDBSUJKOSA-N 0 3 361.533 -0.341 20 0 FBADHN COC[C@@H](C)CNC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000575450153 484021094 /nfs/dbraw/zinc/02/10/94/484021094.db2.gz SMCCNERBJBUFGK-HNNXBMFYSA-N 0 3 354.495 -0.129 20 0 FBADHN COC[C@H](C)CNC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000575450154 484021401 /nfs/dbraw/zinc/02/14/01/484021401.db2.gz SMCCNERBJBUFGK-OAHLLOKOSA-N 0 3 354.495 -0.129 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000575460224 484020880 /nfs/dbraw/zinc/02/08/80/484020880.db2.gz VWEUWOGYTBPUMJ-DLBZAZTESA-N 0 3 365.522 -0.175 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000575460225 484020442 /nfs/dbraw/zinc/02/04/42/484020442.db2.gz VWEUWOGYTBPUMJ-IAGOWNOFSA-N 0 3 365.522 -0.175 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000575460226 484020308 /nfs/dbraw/zinc/02/03/08/484020308.db2.gz VWEUWOGYTBPUMJ-IRXDYDNUSA-N 0 3 365.522 -0.175 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000575460227 484019702 /nfs/dbraw/zinc/01/97/02/484019702.db2.gz VWEUWOGYTBPUMJ-SJORKVTESA-N 0 3 365.522 -0.175 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000575475853 484020832 /nfs/dbraw/zinc/02/08/32/484020832.db2.gz CZVDLHSSQVLOPQ-UHFFFAOYSA-N 0 3 352.439 -0.789 20 0 FBADHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000575535819 484020265 /nfs/dbraw/zinc/02/02/65/484020265.db2.gz NVTHHNVTXKEYJX-CYBMUJFWSA-N 0 3 368.525 -0.777 20 0 FBADHN CC(C)N1CC[C@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000575535820 484020575 /nfs/dbraw/zinc/02/05/75/484020575.db2.gz NVTHHNVTXKEYJX-ZDUSSCGKSA-N 0 3 368.525 -0.777 20 0 FBADHN CN(C)C1(CN(C)C(=O)C(=O)NCC2(N3CCOCC3)CC2)CCC1 ZINC000575604104 484020083 /nfs/dbraw/zinc/02/00/83/484020083.db2.gz NNHZATYMLPFJCQ-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4ccccc4C3)CCN2C1=O ZINC000575763211 484022143 /nfs/dbraw/zinc/02/21/43/484022143.db2.gz LLTJVENTCQTWEG-ARFHVFGLSA-N 0 3 356.426 -0.570 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCc4ccccc4C3)CCN2C1=O ZINC000575763215 484023296 /nfs/dbraw/zinc/02/32/96/484023296.db2.gz LLTJVENTCQTWEG-BZUAXINKSA-N 0 3 356.426 -0.570 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCc4ccccc4C3)CCN2C1=O ZINC000575763216 484022906 /nfs/dbraw/zinc/02/29/06/484022906.db2.gz LLTJVENTCQTWEG-HRCADAONSA-N 0 3 356.426 -0.570 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCc4ccccc4C3)CCN2C1=O ZINC000575763218 484023147 /nfs/dbraw/zinc/02/31/47/484023147.db2.gz LLTJVENTCQTWEG-OWCLPIDISA-N 0 3 356.426 -0.570 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCSC[C@@H]2CCO)CCCO1 ZINC000575778562 484024152 /nfs/dbraw/zinc/02/41/52/484024152.db2.gz VPKLBVONGZCOHR-CABCVRRESA-N 0 3 373.519 -0.070 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCSC[C@@H]2CCO)CCCO1 ZINC000575778563 484024093 /nfs/dbraw/zinc/02/40/93/484024093.db2.gz VPKLBVONGZCOHR-GJZGRUSLSA-N 0 3 373.519 -0.070 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCSC[C@H]2CCO)CCCO1 ZINC000575778564 484025075 /nfs/dbraw/zinc/02/50/75/484025075.db2.gz VPKLBVONGZCOHR-HUUCEWRRSA-N 0 3 373.519 -0.070 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCSC[C@H]2CCO)CCCO1 ZINC000575778566 484025157 /nfs/dbraw/zinc/02/51/57/484025157.db2.gz VPKLBVONGZCOHR-LSDHHAIUSA-N 0 3 373.519 -0.070 20 0 FBADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000575794238 484025044 /nfs/dbraw/zinc/02/50/44/484025044.db2.gz UDJBYPXHZFIQPL-UHFFFAOYSA-N 0 3 372.466 -0.142 20 0 FBADHN COCCCN(C(=O)CN1CCS(=O)(=O)CC1)C1CCN(C)CC1 ZINC000575795352 484024745 /nfs/dbraw/zinc/02/47/45/484024745.db2.gz UPBOIPSETHLQAD-UHFFFAOYSA-N 0 3 361.508 -0.324 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000575804556 484026412 /nfs/dbraw/zinc/02/64/12/484026412.db2.gz VAZQCGZFEGUCII-HZMBPMFUSA-N 0 3 356.448 -0.389 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000575804557 484026878 /nfs/dbraw/zinc/02/68/78/484026878.db2.gz VAZQCGZFEGUCII-YGRLFVJLSA-N 0 3 356.448 -0.389 20 0 FBADHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000575808290 484026461 /nfs/dbraw/zinc/02/64/61/484026461.db2.gz QKFDHVZMBYASDH-LBPRGKRZSA-N 0 3 365.434 -0.491 20 0 FBADHN Cc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000575814852 484026516 /nfs/dbraw/zinc/02/65/16/484026516.db2.gz BSBXKODUVGLIBB-FMKPAKJESA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000575814853 484027105 /nfs/dbraw/zinc/02/71/05/484027105.db2.gz BSBXKODUVGLIBB-IIAWOOMASA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000575814854 484026661 /nfs/dbraw/zinc/02/66/61/484026661.db2.gz BSBXKODUVGLIBB-IJEWVQPXSA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000575814855 484026918 /nfs/dbraw/zinc/02/69/18/484026918.db2.gz BSBXKODUVGLIBB-YCPHGPKFSA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1cc(C)cc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000575815779 484026739 /nfs/dbraw/zinc/02/67/39/484026739.db2.gz QUXVHENXUVUCFU-GDBMZVCRSA-N 0 3 374.441 -0.431 20 0 FBADHN Cc1cc(C)cc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000575815780 484026169 /nfs/dbraw/zinc/02/61/69/484026169.db2.gz QUXVHENXUVUCFU-GOEBONIOSA-N 0 3 374.441 -0.431 20 0 FBADHN Cc1cc(C)cc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000575815900 484026901 /nfs/dbraw/zinc/02/69/01/484026901.db2.gz QUXVHENXUVUCFU-HOCLYGCPSA-N 0 3 374.441 -0.431 20 0 FBADHN Cc1cc(C)cc(OCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000575815902 484025982 /nfs/dbraw/zinc/02/59/82/484025982.db2.gz QUXVHENXUVUCFU-ZBFHGGJFSA-N 0 3 374.441 -0.431 20 0 FBADHN Cc1cccc2c1ncn(CCC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)c2=O ZINC000575816795 484026691 /nfs/dbraw/zinc/02/66/91/484026691.db2.gz XHCZZSWQPKXIIN-DZGCQCFKSA-N 0 3 369.425 -0.135 20 0 FBADHN Cc1cccc2c1ncn(CCC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)c2=O ZINC000575816796 484027127 /nfs/dbraw/zinc/02/71/27/484027127.db2.gz XHCZZSWQPKXIIN-HIFRSBDPSA-N 0 3 369.425 -0.135 20 0 FBADHN Cc1cccc2c1ncn(CCC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)c2=O ZINC000575816797 484026998 /nfs/dbraw/zinc/02/69/98/484026998.db2.gz XHCZZSWQPKXIIN-UKRRQHHQSA-N 0 3 369.425 -0.135 20 0 FBADHN Cc1cccc2c1ncn(CCC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)c2=O ZINC000575816798 484026596 /nfs/dbraw/zinc/02/65/96/484026596.db2.gz XHCZZSWQPKXIIN-ZFWWWQNUSA-N 0 3 369.425 -0.135 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2(C)CCC2)cn1 ZINC000575826604 484028307 /nfs/dbraw/zinc/02/83/07/484028307.db2.gz FYUJHIZLKOLIBM-UHFFFAOYSA-N 0 3 350.423 -0.442 20 0 FBADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@H]1CNCCC1(F)F ZINC000575852997 484028449 /nfs/dbraw/zinc/02/84/49/484028449.db2.gz UAHBLFUTQWJNME-JTQLQIEISA-N 0 3 372.463 -0.339 20 0 FBADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CNCCC1(F)F ZINC000575852998 484028625 /nfs/dbraw/zinc/02/86/25/484028625.db2.gz UAHBLFUTQWJNME-SNVBAGLBSA-N 0 3 372.463 -0.339 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000575856268 484029785 /nfs/dbraw/zinc/02/97/85/484029785.db2.gz RLACAEBPQINSGU-DLBZAZTESA-N 0 3 365.522 -0.175 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000575856269 484030071 /nfs/dbraw/zinc/03/00/71/484030071.db2.gz RLACAEBPQINSGU-IAGOWNOFSA-N 0 3 365.522 -0.175 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000575856270 484030215 /nfs/dbraw/zinc/03/02/15/484030215.db2.gz RLACAEBPQINSGU-IRXDYDNUSA-N 0 3 365.522 -0.175 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000575856271 484030108 /nfs/dbraw/zinc/03/01/08/484030108.db2.gz RLACAEBPQINSGU-SJORKVTESA-N 0 3 365.522 -0.175 20 0 FBADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000575860104 484030157 /nfs/dbraw/zinc/03/01/57/484030157.db2.gz MPYOTVOYHNIPOM-UHFFFAOYSA-N 0 3 362.405 -0.068 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CCn3nnc4ccccc4c3=O)C[C@H]2N)cn1 ZINC000575860524 484030625 /nfs/dbraw/zinc/03/06/25/484030625.db2.gz ZNDCYAWUECKVPF-LSDHHAIUSA-N 0 3 367.413 -0.132 20 0 FBADHN NC(=O)NC(=O)CCNCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000575862830 484029822 /nfs/dbraw/zinc/02/98/22/484029822.db2.gz SAQAXLIIKIEDEQ-UHFFFAOYSA-N 0 3 366.802 -0.068 20 0 FBADHN COCCOCCS(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575868821 484029753 /nfs/dbraw/zinc/02/97/53/484029753.db2.gz MOUQJESKCPFEKA-LLVKDONJSA-N 0 3 363.402 -0.595 20 0 FBADHN COCCOCCS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575868822 484030522 /nfs/dbraw/zinc/03/05/22/484030522.db2.gz MOUQJESKCPFEKA-NSHDSACASA-N 0 3 363.402 -0.595 20 0 FBADHN CNS(=O)(=O)NCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000575877342 484032073 /nfs/dbraw/zinc/03/20/73/484032073.db2.gz VNJLCFOHCKHZCT-GFCCVEGCSA-N 0 3 355.464 -0.223 20 0 FBADHN CNS(=O)(=O)NCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000575877343 484032162 /nfs/dbraw/zinc/03/21/62/484032162.db2.gz VNJLCFOHCKHZCT-LBPRGKRZSA-N 0 3 355.464 -0.223 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000575889567 484032193 /nfs/dbraw/zinc/03/21/93/484032193.db2.gz MFNIUPSWFFBTQS-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000575889568 484032288 /nfs/dbraw/zinc/03/22/88/484032288.db2.gz MFNIUPSWFFBTQS-MRXNPFEDSA-N 0 3 352.479 -0.136 20 0 FBADHN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCCN4C[C@H]3C)CCO2)[nH]1 ZINC000575890025 484031747 /nfs/dbraw/zinc/03/17/47/484031747.db2.gz UTEYPYUQRGCOFO-BNOWGMLFSA-N 0 3 362.434 -0.292 20 0 FBADHN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)CCO2)[nH]1 ZINC000575890026 484032300 /nfs/dbraw/zinc/03/23/00/484032300.db2.gz UTEYPYUQRGCOFO-UBHSHLNASA-N 0 3 362.434 -0.292 20 0 FBADHN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCCN4C[C@H]3C)CCO2)[nH]1 ZINC000575890027 484031354 /nfs/dbraw/zinc/03/13/54/484031354.db2.gz UTEYPYUQRGCOFO-XBFCOCLRSA-N 0 3 362.434 -0.292 20 0 FBADHN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCCN4C[C@@H]3C)CCO2)[nH]1 ZINC000575890028 484032275 /nfs/dbraw/zinc/03/22/75/484032275.db2.gz UTEYPYUQRGCOFO-YUTCNCBUSA-N 0 3 362.434 -0.292 20 0 FBADHN O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000575905151 484033900 /nfs/dbraw/zinc/03/39/00/484033900.db2.gz ISWUTOCXBJOMFW-INIZCTEOSA-N 0 3 364.490 -0.090 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000575905152 484033393 /nfs/dbraw/zinc/03/33/93/484033393.db2.gz ISWUTOCXBJOMFW-MRXNPFEDSA-N 0 3 364.490 -0.090 20 0 FBADHN O=C(CNC[C@H](O)Cn1c(=O)onc1-c1ccccc1)N1CCOCC1 ZINC000575916618 484033934 /nfs/dbraw/zinc/03/39/34/484033934.db2.gz RYIMWYKSDONNFV-AWEZNQCLSA-N 0 3 362.386 -0.687 20 0 FBADHN O=C(CNC[C@@H](O)Cn1c(=O)onc1-c1ccccc1)N1CCOCC1 ZINC000575916619 484033957 /nfs/dbraw/zinc/03/39/57/484033957.db2.gz RYIMWYKSDONNFV-CQSZACIVSA-N 0 3 362.386 -0.687 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H](C)O1 ZINC000575923917 484034335 /nfs/dbraw/zinc/03/43/35/484034335.db2.gz UXGTZWGCWCGBNH-OKILXGFUSA-N 0 3 361.508 -0.279 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCN(C)C(=O)C2)cc1 ZINC000575931884 484035986 /nfs/dbraw/zinc/03/59/86/484035986.db2.gz MFIPXZSYDRSMKI-UHFFFAOYSA-N 0 3 362.430 -0.456 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)c2ccn(CCN(C)C)n2)[C@H](C)C1 ZINC000575933734 484035250 /nfs/dbraw/zinc/03/52/50/484035250.db2.gz UDOLJTWHXWJRHG-CYBMUJFWSA-N 0 3 357.480 -0.059 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CC2CC(O)C2)ccn1 ZINC000575950810 484035756 /nfs/dbraw/zinc/03/57/56/484035756.db2.gz QPYQWDSXQUOQMI-UHFFFAOYSA-N 0 3 364.446 -0.133 20 0 FBADHN COCC[C@@H](COC)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000575964095 484035558 /nfs/dbraw/zinc/03/55/58/484035558.db2.gz PCAHFSWHMQATRI-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN COCC[C@H](COC)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000575964098 484035172 /nfs/dbraw/zinc/03/51/72/484035172.db2.gz PCAHFSWHMQATRI-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1C1CC1)CN1CCN(C)CC1 ZINC000575974931 484036987 /nfs/dbraw/zinc/03/69/87/484036987.db2.gz GWFNSLFHWLWNJX-GDBMZVCRSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1C1CC1)CN1CCN(C)CC1 ZINC000575974932 484036721 /nfs/dbraw/zinc/03/67/21/484036721.db2.gz GWFNSLFHWLWNJX-GOEBONIOSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1C1CC1)CN1CCN(C)CC1 ZINC000575974933 484037558 /nfs/dbraw/zinc/03/75/58/484037558.db2.gz GWFNSLFHWLWNJX-HOCLYGCPSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1C1CC1)CN1CCN(C)CC1 ZINC000575974934 484038007 /nfs/dbraw/zinc/03/80/07/484038007.db2.gz GWFNSLFHWLWNJX-ZBFHGGJFSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000575976108 484037105 /nfs/dbraw/zinc/03/71/05/484037105.db2.gz RYMXZDYNZSKBLR-CABCVRRESA-N 0 3 368.478 -0.269 20 0 FBADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000575976109 484037773 /nfs/dbraw/zinc/03/77/73/484037773.db2.gz RYMXZDYNZSKBLR-GJZGRUSLSA-N 0 3 368.478 -0.269 20 0 FBADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000575976110 484037734 /nfs/dbraw/zinc/03/77/34/484037734.db2.gz RYMXZDYNZSKBLR-HUUCEWRRSA-N 0 3 368.478 -0.269 20 0 FBADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000575976111 484037371 /nfs/dbraw/zinc/03/73/71/484037371.db2.gz RYMXZDYNZSKBLR-LSDHHAIUSA-N 0 3 368.478 -0.269 20 0 FBADHN O=C(CNC(=O)CN1CCC(=O)NC1=O)NCCN1CCCCCC1 ZINC000575976556 484036879 /nfs/dbraw/zinc/03/68/79/484036879.db2.gz OESYBWSQCKCODA-UHFFFAOYSA-N 0 3 353.423 -0.963 20 0 FBADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000575980153 484037952 /nfs/dbraw/zinc/03/79/52/484037952.db2.gz WLGLFXFLIOPPMX-JKSUJKDBSA-N 0 3 373.457 -0.235 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000575986590 484037042 /nfs/dbraw/zinc/03/70/42/484037042.db2.gz IILQDDMJVAAZGH-CHWSQXEVSA-N 0 3 355.464 -0.454 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000575986591 484036591 /nfs/dbraw/zinc/03/65/91/484036591.db2.gz IILQDDMJVAAZGH-OLZOCXBDSA-N 0 3 355.464 -0.454 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000575986592 484037844 /nfs/dbraw/zinc/03/78/44/484037844.db2.gz IILQDDMJVAAZGH-QWHCGFSZSA-N 0 3 355.464 -0.454 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000575986593 484036941 /nfs/dbraw/zinc/03/69/41/484036941.db2.gz IILQDDMJVAAZGH-STQMWFEESA-N 0 3 355.464 -0.454 20 0 FBADHN C[C@@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)N1CCCCCC1 ZINC000575987346 484037642 /nfs/dbraw/zinc/03/76/42/484037642.db2.gz PJCLAOUKUVDHRW-AWEZNQCLSA-N 0 3 358.508 -0.303 20 0 FBADHN C[C@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)N1CCCCCC1 ZINC000575987347 484037069 /nfs/dbraw/zinc/03/70/69/484037069.db2.gz PJCLAOUKUVDHRW-CQSZACIVSA-N 0 3 358.508 -0.303 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3)C[C@H]2N)cn1 ZINC000575990378 484036423 /nfs/dbraw/zinc/03/64/23/484036423.db2.gz OGAAACVSSHSMBZ-LSDHHAIUSA-N 0 3 363.443 -0.348 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1C ZINC000576003782 484039865 /nfs/dbraw/zinc/03/98/65/484039865.db2.gz DXLCOPYEOFHNDV-GXTWGEPZSA-N 0 3 366.443 -0.114 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C ZINC000576003783 484039424 /nfs/dbraw/zinc/03/94/24/484039424.db2.gz DXLCOPYEOFHNDV-JSGCOSHPSA-N 0 3 366.443 -0.114 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C ZINC000576003784 484039880 /nfs/dbraw/zinc/03/98/80/484039880.db2.gz DXLCOPYEOFHNDV-OCCSQVGLSA-N 0 3 366.443 -0.114 20 0 FBADHN CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C ZINC000576003785 484039659 /nfs/dbraw/zinc/03/96/59/484039659.db2.gz DXLCOPYEOFHNDV-TZMCWYRMSA-N 0 3 366.443 -0.114 20 0 FBADHN Cc1sc2ncc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c(=O)n2c1C ZINC000576003880 484039673 /nfs/dbraw/zinc/03/96/73/484039673.db2.gz HEGRYZIBTVDXRW-CMPLNLGQSA-N 0 3 361.427 -0.243 20 0 FBADHN Cc1sc2ncc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c(=O)n2c1C ZINC000576003881 484038498 /nfs/dbraw/zinc/03/84/98/484038498.db2.gz HEGRYZIBTVDXRW-JQWIXIFHSA-N 0 3 361.427 -0.243 20 0 FBADHN Cc1sc2ncc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c(=O)n2c1C ZINC000576003882 484038592 /nfs/dbraw/zinc/03/85/92/484038592.db2.gz HEGRYZIBTVDXRW-PWSUYJOCSA-N 0 3 361.427 -0.243 20 0 FBADHN Cc1sc2ncc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c(=O)n2c1C ZINC000576003883 484038946 /nfs/dbraw/zinc/03/89/46/484038946.db2.gz HEGRYZIBTVDXRW-ZYHUDNBSSA-N 0 3 361.427 -0.243 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000576004024 484039801 /nfs/dbraw/zinc/03/98/01/484039801.db2.gz LFMILYNFGHDRHN-CVEARBPZSA-N 0 3 369.429 -0.220 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000576004025 484038729 /nfs/dbraw/zinc/03/87/29/484038729.db2.gz LFMILYNFGHDRHN-HOTGVXAUSA-N 0 3 369.429 -0.220 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000576004026 484038706 /nfs/dbraw/zinc/03/87/06/484038706.db2.gz LFMILYNFGHDRHN-HZPDHXFCSA-N 0 3 369.429 -0.220 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(Cn4cncn4)cc3)CCN2C1=O ZINC000576004027 484038867 /nfs/dbraw/zinc/03/88/67/484038867.db2.gz LFMILYNFGHDRHN-JKSUJKDBSA-N 0 3 369.429 -0.220 20 0 FBADHN CCN(CCCNC(=O)C(=O)NC1CCN(CC)CC1)S(C)(=O)=O ZINC000576006720 484038551 /nfs/dbraw/zinc/03/85/51/484038551.db2.gz NWEDPOYYXOBIFJ-UHFFFAOYSA-N 0 3 362.496 -0.625 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)NCCCCN3CCOCC3)[C@H]2C1 ZINC000576008057 484039711 /nfs/dbraw/zinc/03/97/11/484039711.db2.gz HGSAPXMMAJABIO-CVEARBPZSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)C(=O)NCCCCN3CCOCC3)[C@H]2C1 ZINC000576008058 484039216 /nfs/dbraw/zinc/03/92/16/484039216.db2.gz HGSAPXMMAJABIO-HOTGVXAUSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)NCCCCN3CCOCC3)[C@@H]2C1 ZINC000576008059 484039522 /nfs/dbraw/zinc/03/95/22/484039522.db2.gz HGSAPXMMAJABIO-HZPDHXFCSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)C(=O)NCCCCN3CCOCC3)[C@@H]2C1 ZINC000576008060 484039376 /nfs/dbraw/zinc/03/93/76/484039376.db2.gz HGSAPXMMAJABIO-JKSUJKDBSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)C[C@H](O)COc1ccc(NC(=O)CCn2ncn(C)c2=O)cc1 ZINC000576008905 484039744 /nfs/dbraw/zinc/03/97/44/484039744.db2.gz HRMHIAUSIDIXOM-AWEZNQCLSA-N 0 3 363.418 -0.088 20 0 FBADHN CN(C)C[C@@H](O)COc1ccc(NC(=O)CCn2ncn(C)c2=O)cc1 ZINC000576008906 484038805 /nfs/dbraw/zinc/03/88/05/484038805.db2.gz HRMHIAUSIDIXOM-CQSZACIVSA-N 0 3 363.418 -0.088 20 0 FBADHN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@]1(O)CN2CCC1CC2 ZINC000576010037 484039284 /nfs/dbraw/zinc/03/92/84/484039284.db2.gz FODDOVYSRRGPDF-GOSISDBHSA-N 0 3 358.398 -0.325 20 0 FBADHN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@]1(O)CN2CCC1CC2 ZINC000576010041 484038454 /nfs/dbraw/zinc/03/84/54/484038454.db2.gz FODDOVYSRRGPDF-SFHVURJKSA-N 0 3 358.398 -0.325 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000576015966 484038985 /nfs/dbraw/zinc/03/89/85/484038985.db2.gz OOOCWLXSIOFDCG-BPQIPLTHSA-N 0 3 373.501 -0.276 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000576015967 484038624 /nfs/dbraw/zinc/03/86/24/484038624.db2.gz OOOCWLXSIOFDCG-KBAYOESNSA-N 0 3 373.501 -0.276 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000576015968 484039112 /nfs/dbraw/zinc/03/91/12/484039112.db2.gz OOOCWLXSIOFDCG-NJAFHUGGSA-N 0 3 373.501 -0.276 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000576015969 484038926 /nfs/dbraw/zinc/03/89/26/484038926.db2.gz OOOCWLXSIOFDCG-NXHRZFHOSA-N 0 3 373.501 -0.276 20 0 FBADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000576027040 484038379 /nfs/dbraw/zinc/03/83/79/484038379.db2.gz JYBBZJFCOPXBLT-CABCVRRESA-N 0 3 367.494 -0.757 20 0 FBADHN CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000576027041 484039908 /nfs/dbraw/zinc/03/99/08/484039908.db2.gz JYBBZJFCOPXBLT-GJZGRUSLSA-N 0 3 367.494 -0.757 20 0 FBADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000576027042 484039580 /nfs/dbraw/zinc/03/95/80/484039580.db2.gz JYBBZJFCOPXBLT-HUUCEWRRSA-N 0 3 367.494 -0.757 20 0 FBADHN CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000576027043 484038846 /nfs/dbraw/zinc/03/88/46/484038846.db2.gz JYBBZJFCOPXBLT-LSDHHAIUSA-N 0 3 367.494 -0.757 20 0 FBADHN Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)CC2)c1 ZINC000576027203 484039314 /nfs/dbraw/zinc/03/93/14/484039314.db2.gz SUWWRLJQSBAHIS-KRWDZBQOSA-N 0 3 359.474 -0.255 20 0 FBADHN Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)CC2)c1 ZINC000576027204 484039075 /nfs/dbraw/zinc/03/90/75/484039075.db2.gz SUWWRLJQSBAHIS-QGZVFWFLSA-N 0 3 359.474 -0.255 20 0 FBADHN C[C@@]1(c2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2)NC(=O)[N-]C1=O ZINC000576028356 484040924 /nfs/dbraw/zinc/04/09/24/484040924.db2.gz QDSQTFDISKQQJE-INIZCTEOSA-N 0 3 357.374 -0.066 20 0 FBADHN C[C@]1(c2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2)NC(=O)[N-]C1=O ZINC000576028357 484040585 /nfs/dbraw/zinc/04/05/85/484040585.db2.gz QDSQTFDISKQQJE-MRXNPFEDSA-N 0 3 357.374 -0.066 20 0 FBADHN Cc1ccnc2nc(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)nn21 ZINC000576037564 484040856 /nfs/dbraw/zinc/04/08/56/484040856.db2.gz LZIQRAHKFPHCJL-UHFFFAOYSA-N 0 3 371.405 -0.441 20 0 FBADHN COc1ccc(S(=O)(=O)NCC(=O)N2CCCNCC2)cc1OC ZINC000576040561 484041196 /nfs/dbraw/zinc/04/11/96/484041196.db2.gz KVQAAEDFIKCFHE-UHFFFAOYSA-N 0 3 357.432 -0.196 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(F)c1 ZINC000576053070 484040349 /nfs/dbraw/zinc/04/03/49/484040349.db2.gz AWMHZGPVBHRBTC-CMPLNLGQSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(F)c1 ZINC000576053071 484040422 /nfs/dbraw/zinc/04/04/22/484040422.db2.gz AWMHZGPVBHRBTC-JQWIXIFHSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(F)c1 ZINC000576053072 484041211 /nfs/dbraw/zinc/04/12/11/484041211.db2.gz AWMHZGPVBHRBTC-PWSUYJOCSA-N 0 3 371.390 -0.455 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(F)c1 ZINC000576053073 484041637 /nfs/dbraw/zinc/04/16/37/484041637.db2.gz AWMHZGPVBHRBTC-ZYHUDNBSSA-N 0 3 371.390 -0.455 20 0 FBADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576053093 484041180 /nfs/dbraw/zinc/04/11/80/484041180.db2.gz BYCIAECVGNGEPA-NXEZZACHSA-N 0 3 371.415 -0.439 20 0 FBADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576053094 484043153 /nfs/dbraw/zinc/04/31/53/484043153.db2.gz BYCIAECVGNGEPA-UWVGGRQHSA-N 0 3 371.415 -0.439 20 0 FBADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576053095 484042079 /nfs/dbraw/zinc/04/20/79/484042079.db2.gz BYCIAECVGNGEPA-VHSXEESVSA-N 0 3 371.415 -0.439 20 0 FBADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576053096 484042830 /nfs/dbraw/zinc/04/28/30/484042830.db2.gz BYCIAECVGNGEPA-ZJUUUORDSA-N 0 3 371.415 -0.439 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576054307 484043095 /nfs/dbraw/zinc/04/30/95/484043095.db2.gz YQAMIPPEVYDWTI-CABCVRRESA-N 0 3 373.457 -0.234 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576054308 484043177 /nfs/dbraw/zinc/04/31/77/484043177.db2.gz YQAMIPPEVYDWTI-GJZGRUSLSA-N 0 3 373.457 -0.234 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576054309 484043313 /nfs/dbraw/zinc/04/33/13/484043313.db2.gz YQAMIPPEVYDWTI-HUUCEWRRSA-N 0 3 373.457 -0.234 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576054310 484042859 /nfs/dbraw/zinc/04/28/59/484042859.db2.gz YQAMIPPEVYDWTI-LSDHHAIUSA-N 0 3 373.457 -0.234 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000576056578 484042131 /nfs/dbraw/zinc/04/21/31/484042131.db2.gz NEGCCKCBVASWEG-UHFFFAOYSA-N 0 3 366.466 -0.343 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000576075323 484042899 /nfs/dbraw/zinc/04/28/99/484042899.db2.gz NBJFQBVQFFQUDG-CYBMUJFWSA-N 0 3 374.507 -0.673 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000576075324 484042811 /nfs/dbraw/zinc/04/28/11/484042811.db2.gz NBJFQBVQFFQUDG-ZDUSSCGKSA-N 0 3 374.507 -0.673 20 0 FBADHN Cc1cc(NC(=O)CN2CCN(C[C@@H](O)CN(C)C3CC3)CC2)no1 ZINC000576076325 484299747 /nfs/dbraw/zinc/29/97/47/484299747.db2.gz WWMAGAGSLFPXFR-HNNXBMFYSA-N 0 3 351.451 -0.006 20 0 FBADHN Cc1cc(NC(=O)CN2CCN(C[C@H](O)CN(C)C3CC3)CC2)no1 ZINC000576076326 484299778 /nfs/dbraw/zinc/29/97/78/484299778.db2.gz WWMAGAGSLFPXFR-OAHLLOKOSA-N 0 3 351.451 -0.006 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000576078752 484091203 /nfs/dbraw/zinc/09/12/03/484091203.db2.gz OUGRXBJOYYVGRQ-UHFFFAOYSA-N 0 3 362.478 0.378 20 0 FBADHN COC(=O)c1c(C)c(NC(=O)C(=O)NC[C@H](O)CN(C)C)ccc1F ZINC000576078965 484042289 /nfs/dbraw/zinc/04/22/89/484042289.db2.gz YUGILOCIMSKBAT-JTQLQIEISA-N 0 3 355.366 -0.102 20 0 FBADHN COC(=O)c1c(C)c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)ccc1F ZINC000576078966 484043406 /nfs/dbraw/zinc/04/34/06/484043406.db2.gz YUGILOCIMSKBAT-SNVBAGLBSA-N 0 3 355.366 -0.102 20 0 FBADHN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000576083073 484042563 /nfs/dbraw/zinc/04/25/63/484042563.db2.gz LRWYGMIKCFCQSO-UONOGXRCSA-N 0 3 372.491 -0.631 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCOC1 ZINC000576087189 484042638 /nfs/dbraw/zinc/04/26/38/484042638.db2.gz VJUXIPSBSGOVQJ-AWEZNQCLSA-N 0 3 352.435 -1.000 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCOC1 ZINC000576087190 484042782 /nfs/dbraw/zinc/04/27/82/484042782.db2.gz VJUXIPSBSGOVQJ-CQSZACIVSA-N 0 3 352.435 -1.000 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000576087193 484042486 /nfs/dbraw/zinc/04/24/86/484042486.db2.gz VRZVYFJEYPXVRW-AWEZNQCLSA-N 0 3 374.507 -0.531 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000576087194 484042448 /nfs/dbraw/zinc/04/24/48/484042448.db2.gz VRZVYFJEYPXVRW-CQSZACIVSA-N 0 3 374.507 -0.531 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@H]1C ZINC000576094206 484044139 /nfs/dbraw/zinc/04/41/39/484044139.db2.gz VVAMLDBZOZLSEV-BBWFWOEESA-N 0 3 367.538 -0.073 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@@H]1C ZINC000576094207 484045004 /nfs/dbraw/zinc/04/50/04/484045004.db2.gz VVAMLDBZOZLSEV-IKGGRYGDSA-N 0 3 367.538 -0.073 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@@H]1C ZINC000576094208 484044630 /nfs/dbraw/zinc/04/46/30/484044630.db2.gz VVAMLDBZOZLSEV-ULQDDVLXSA-N 0 3 367.538 -0.073 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@H]1C ZINC000576094209 484044199 /nfs/dbraw/zinc/04/41/99/484044199.db2.gz VVAMLDBZOZLSEV-ZACQAIPSSA-N 0 3 367.538 -0.073 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000576094253 484044397 /nfs/dbraw/zinc/04/43/97/484044397.db2.gz YVYPJXUFDMPXHE-HNNXBMFYSA-N 0 3 359.496 -0.731 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000576094254 484045142 /nfs/dbraw/zinc/04/51/42/484045142.db2.gz YVYPJXUFDMPXHE-OAHLLOKOSA-N 0 3 359.496 -0.731 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000576097107 484044596 /nfs/dbraw/zinc/04/45/96/484044596.db2.gz LNYPXCJUJTWMHF-AWEZNQCLSA-N 0 3 351.451 -0.758 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000576097108 484044174 /nfs/dbraw/zinc/04/41/74/484044174.db2.gz LNYPXCJUJTWMHF-CQSZACIVSA-N 0 3 351.451 -0.758 20 0 FBADHN O=C(Cc1ccc(-n2cnnc2)cc1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000576106305 484044778 /nfs/dbraw/zinc/04/47/78/484044778.db2.gz ZZISWRSRHJBLIQ-UHFFFAOYSA-N 0 3 353.390 -0.024 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H]2C[C@H](O)C2(C)C)CC1 ZINC000576118231 484044452 /nfs/dbraw/zinc/04/44/52/484044452.db2.gz BFMIGCSETVRUPC-KBPBESRZSA-N 0 3 354.495 -0.206 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000576118232 484044422 /nfs/dbraw/zinc/04/44/22/484044422.db2.gz BFMIGCSETVRUPC-KGLIPLIRSA-N 0 3 354.495 -0.206 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000576118233 484044343 /nfs/dbraw/zinc/04/43/43/484044343.db2.gz BFMIGCSETVRUPC-UONOGXRCSA-N 0 3 354.495 -0.206 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000576118234 484044439 /nfs/dbraw/zinc/04/44/39/484044439.db2.gz BFMIGCSETVRUPC-ZIAGYGMSSA-N 0 3 354.495 -0.206 20 0 FBADHN C[C@@H](CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000576121177 484044944 /nfs/dbraw/zinc/04/49/44/484044944.db2.gz BQQNQOPOMDQCLA-YESZJQIVSA-N 0 3 355.527 -0.034 20 0 FBADHN C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000576121178 484044101 /nfs/dbraw/zinc/04/41/01/484044101.db2.gz BQQNQOPOMDQCLA-ZACQAIPSSA-N 0 3 355.527 -0.034 20 0 FBADHN COc1cccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000576123353 484044813 /nfs/dbraw/zinc/04/48/13/484044813.db2.gz FGRMSEIQHVFUPO-BJJXKVORSA-N 0 3 374.441 -0.487 20 0 FBADHN COc1cccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000576123354 484045104 /nfs/dbraw/zinc/04/51/04/484045104.db2.gz FGRMSEIQHVFUPO-DUVNUKRYSA-N 0 3 374.441 -0.487 20 0 FBADHN COc1cccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000576123355 484045128 /nfs/dbraw/zinc/04/51/28/484045128.db2.gz FGRMSEIQHVFUPO-JGGQBBKZSA-N 0 3 374.441 -0.487 20 0 FBADHN COc1cccc(C[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000576123356 484044209 /nfs/dbraw/zinc/04/42/09/484044209.db2.gz FGRMSEIQHVFUPO-NOLJZWGESA-N 0 3 374.441 -0.487 20 0 FBADHN COc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c2ccccc2n1 ZINC000576135418 484045859 /nfs/dbraw/zinc/04/58/59/484045859.db2.gz BXUZTBIETSOOBV-AWEZNQCLSA-N 0 3 371.441 -0.039 20 0 FBADHN COc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c2ccccc2n1 ZINC000576135419 484045541 /nfs/dbraw/zinc/04/55/41/484045541.db2.gz BXUZTBIETSOOBV-CQSZACIVSA-N 0 3 371.441 -0.039 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000576136033 484046180 /nfs/dbraw/zinc/04/61/80/484046180.db2.gz MYWKSWBOCGVPBV-UHFFFAOYSA-N 0 3 374.507 -0.528 20 0 FBADHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000576137687 484046128 /nfs/dbraw/zinc/04/61/28/484046128.db2.gz LAHVQZLCLKQYRZ-KBPBESRZSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000576137688 484046304 /nfs/dbraw/zinc/04/63/04/484046304.db2.gz LAHVQZLCLKQYRZ-KGLIPLIRSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000576137689 484046355 /nfs/dbraw/zinc/04/63/55/484046355.db2.gz LAHVQZLCLKQYRZ-UONOGXRCSA-N 0 3 374.507 -0.498 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000576137690 484045947 /nfs/dbraw/zinc/04/59/47/484045947.db2.gz LAHVQZLCLKQYRZ-ZIAGYGMSSA-N 0 3 374.507 -0.498 20 0 FBADHN Cn1c2ccccc2n(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)c1=O ZINC000576157845 484046158 /nfs/dbraw/zinc/04/61/58/484046158.db2.gz SLNXMGXWSKDVQE-UHFFFAOYSA-N 0 3 356.390 -0.494 20 0 FBADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000576163555 484046025 /nfs/dbraw/zinc/04/60/25/484046025.db2.gz UTQXYHLODRAMQM-GFCCVEGCSA-N 0 3 351.436 -0.860 20 0 FBADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000576163556 484046273 /nfs/dbraw/zinc/04/62/73/484046273.db2.gz UTQXYHLODRAMQM-LBPRGKRZSA-N 0 3 351.436 -0.860 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000576164840 484045735 /nfs/dbraw/zinc/04/57/35/484045735.db2.gz KNPJVPAWSOUQBF-UHFFFAOYSA-N 0 3 366.447 -0.088 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000576170278 484047377 /nfs/dbraw/zinc/04/73/77/484047377.db2.gz FCJZDKYKYJNYLM-UHFFFAOYSA-N 0 3 355.464 -0.643 20 0 FBADHN CN(C)CCn1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000576171515 484047104 /nfs/dbraw/zinc/04/71/04/484047104.db2.gz PRNBEGSOZDNTHT-CHWSQXEVSA-N 0 3 357.480 -0.108 20 0 FBADHN CN(C)CCn1ccc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000576171516 484047955 /nfs/dbraw/zinc/04/79/55/484047955.db2.gz PRNBEGSOZDNTHT-OLZOCXBDSA-N 0 3 357.480 -0.108 20 0 FBADHN CN(C)CCn1ccc(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)n1 ZINC000576171517 484048094 /nfs/dbraw/zinc/04/80/94/484048094.db2.gz PRNBEGSOZDNTHT-QWHCGFSZSA-N 0 3 357.480 -0.108 20 0 FBADHN CN(C)CCn1ccc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)n1 ZINC000576171518 484047131 /nfs/dbraw/zinc/04/71/31/484047131.db2.gz PRNBEGSOZDNTHT-STQMWFEESA-N 0 3 357.480 -0.108 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Oc1ccccc1 ZINC000576173930 484047940 /nfs/dbraw/zinc/04/79/40/484047940.db2.gz KFHWPJULGITGFH-IPYPFGDCSA-N 0 3 360.414 -0.660 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Oc1ccccc1 ZINC000576173931 484048273 /nfs/dbraw/zinc/04/82/73/484048273.db2.gz KFHWPJULGITGFH-NFAWXSAZSA-N 0 3 360.414 -0.660 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Oc1ccccc1 ZINC000576173932 484047881 /nfs/dbraw/zinc/04/78/81/484047881.db2.gz KFHWPJULGITGFH-UMVBOHGHSA-N 0 3 360.414 -0.660 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Oc1ccccc1 ZINC000576173933 484048163 /nfs/dbraw/zinc/04/81/63/484048163.db2.gz KFHWPJULGITGFH-VNHYZAJKSA-N 0 3 360.414 -0.660 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000576174029 484047568 /nfs/dbraw/zinc/04/75/68/484047568.db2.gz QNSBRLIVZZJWHW-AAEUAGOBSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000576174030 484048385 /nfs/dbraw/zinc/04/83/85/484048385.db2.gz QNSBRLIVZZJWHW-DGCLKSJQSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000576174031 484048370 /nfs/dbraw/zinc/04/83/70/484048370.db2.gz QNSBRLIVZZJWHW-WCQYABFASA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3Cl)CCN2C1=O ZINC000576174032 484048415 /nfs/dbraw/zinc/04/84/15/484048415.db2.gz QNSBRLIVZZJWHW-YPMHNXCESA-N 0 3 350.806 -0.273 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)NCCS(=O)(=O)N(C)C)ccn1 ZINC000576201623 484049642 /nfs/dbraw/zinc/04/96/42/484049642.db2.gz HIWVVYZXUNPZBF-UHFFFAOYSA-N 0 3 373.479 -0.287 20 0 FBADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000576212758 484050368 /nfs/dbraw/zinc/05/03/68/484050368.db2.gz ZPPKMKIKVGPCAZ-KBPBESRZSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000576212759 484050103 /nfs/dbraw/zinc/05/01/03/484050103.db2.gz ZPPKMKIKVGPCAZ-KGLIPLIRSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000576212760 484049965 /nfs/dbraw/zinc/04/99/65/484049965.db2.gz ZPPKMKIKVGPCAZ-UONOGXRCSA-N 0 3 364.446 -0.320 20 0 FBADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000576212761 484049423 /nfs/dbraw/zinc/04/94/23/484049423.db2.gz ZPPKMKIKVGPCAZ-ZIAGYGMSSA-N 0 3 364.446 -0.320 20 0 FBADHN CCN1CCN(CCNC(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 ZINC000576215073 484049157 /nfs/dbraw/zinc/04/91/57/484049157.db2.gz WSTUMMGZJNCYKW-UHFFFAOYSA-N 0 3 355.464 -0.595 20 0 FBADHN CCN1CCN(CC(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C(=O)C1=O ZINC000576219244 484049404 /nfs/dbraw/zinc/04/94/04/484049404.db2.gz IMXDESTWBZNXFX-DZGCQCFKSA-N 0 3 362.405 -0.231 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C[C@H]2N)cn1 ZINC000576220627 484050285 /nfs/dbraw/zinc/05/02/85/484050285.db2.gz YIKYLSLREBOMSJ-HRCADAONSA-N 0 3 360.462 -0.630 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C[C@H]2N)cn1 ZINC000576220628 484049072 /nfs/dbraw/zinc/04/90/72/484049072.db2.gz YIKYLSLREBOMSJ-OWCLPIDISA-N 0 3 360.462 -0.630 20 0 FBADHN CC(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)S(C)(=O)=O ZINC000576231602 484049288 /nfs/dbraw/zinc/04/92/88/484049288.db2.gz MPXXPISKNIYGBN-BQBZGAKWSA-N 0 3 354.372 -0.642 20 0 FBADHN CC(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)S(C)(=O)=O ZINC000576231603 484051081 /nfs/dbraw/zinc/05/10/81/484051081.db2.gz MPXXPISKNIYGBN-NKWVEPMBSA-N 0 3 354.372 -0.642 20 0 FBADHN CC(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)S(C)(=O)=O ZINC000576231604 484052010 /nfs/dbraw/zinc/05/20/10/484052010.db2.gz MPXXPISKNIYGBN-RNFRBKRXSA-N 0 3 354.372 -0.642 20 0 FBADHN CC(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)S(C)(=O)=O ZINC000576231605 484052207 /nfs/dbraw/zinc/05/22/07/484052207.db2.gz MPXXPISKNIYGBN-RQJHMYQMSA-N 0 3 354.372 -0.642 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 ZINC000576238775 484051260 /nfs/dbraw/zinc/05/12/60/484051260.db2.gz IICBDOHFKDZEOS-UHFFFAOYSA-N 0 3 371.445 -0.099 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CCN2C1=O ZINC000576241900 484051323 /nfs/dbraw/zinc/05/13/23/484051323.db2.gz IKMYPJWWYXLNHM-HRCADAONSA-N 0 3 372.425 -0.816 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CCN2C1=O ZINC000576241901 484051121 /nfs/dbraw/zinc/05/11/21/484051121.db2.gz IKMYPJWWYXLNHM-OWCLPIDISA-N 0 3 372.425 -0.816 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000576242218 484051211 /nfs/dbraw/zinc/05/12/11/484051211.db2.gz ROLROMHZHHBCOJ-CABCVRRESA-N 0 3 365.478 -0.861 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000576242219 484050887 /nfs/dbraw/zinc/05/08/87/484050887.db2.gz ROLROMHZHHBCOJ-GJZGRUSLSA-N 0 3 365.478 -0.861 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000576242220 484051980 /nfs/dbraw/zinc/05/19/80/484051980.db2.gz ROLROMHZHHBCOJ-HUUCEWRRSA-N 0 3 365.478 -0.861 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000576242221 484052271 /nfs/dbraw/zinc/05/22/71/484052271.db2.gz ROLROMHZHHBCOJ-LSDHHAIUSA-N 0 3 365.478 -0.861 20 0 FBADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000576253037 484051303 /nfs/dbraw/zinc/05/13/03/484051303.db2.gz RDDBYSKKSLPCFZ-CABCVRRESA-N 0 3 358.483 -0.752 20 0 FBADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000576253038 484051385 /nfs/dbraw/zinc/05/13/85/484051385.db2.gz RDDBYSKKSLPCFZ-GJZGRUSLSA-N 0 3 358.483 -0.752 20 0 FBADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000576253039 484051650 /nfs/dbraw/zinc/05/16/50/484051650.db2.gz RDDBYSKKSLPCFZ-HUUCEWRRSA-N 0 3 358.483 -0.752 20 0 FBADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000576253040 484051734 /nfs/dbraw/zinc/05/17/34/484051734.db2.gz RDDBYSKKSLPCFZ-LSDHHAIUSA-N 0 3 358.483 -0.752 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCOC2(CCOCC2)CC1 ZINC000576255778 484051903 /nfs/dbraw/zinc/05/19/03/484051903.db2.gz ATFOJBRXOFVRRY-UHFFFAOYSA-N 0 3 357.451 -0.521 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](OC)C(C)C)CC1 ZINC000576259427 484051574 /nfs/dbraw/zinc/05/15/74/484051574.db2.gz CYKDVTJKCPVWLP-HNNXBMFYSA-N 0 3 370.494 -0.214 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](OC)C(C)C)CC1 ZINC000576259429 484052122 /nfs/dbraw/zinc/05/21/22/484052122.db2.gz CYKDVTJKCPVWLP-OAHLLOKOSA-N 0 3 370.494 -0.214 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCOCC4(CCC4)C3)C[C@H]2N)cn1 ZINC000576271161 484052919 /nfs/dbraw/zinc/05/29/19/484052919.db2.gz VPVYQILJFOSUCF-LSDHHAIUSA-N 0 3 361.446 -0.298 20 0 FBADHN Cc1cc(NC(=O)CCNCCNS(=O)(=O)c2cccnc2)no1 ZINC000576271843 484289784 /nfs/dbraw/zinc/28/97/84/484289784.db2.gz KTUBYMQVBLOIRE-UHFFFAOYSA-N 0 3 353.404 0.275 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576279677 484053759 /nfs/dbraw/zinc/05/37/59/484053759.db2.gz GCOTZDIWBBIFOH-KRWDZBQOSA-N 0 3 360.458 -0.138 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000576279679 484053945 /nfs/dbraw/zinc/05/39/45/484053945.db2.gz GCOTZDIWBBIFOH-QGZVFWFLSA-N 0 3 360.458 -0.138 20 0 FBADHN CNS(=O)(=O)NCC(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000576287762 484053699 /nfs/dbraw/zinc/05/36/99/484053699.db2.gz 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COC(=O)c1cc(CN(C)C(=O)C(=O)N2CCN(C)C[C@H]2CN)oc1C ZINC000576626893 484070111 /nfs/dbraw/zinc/07/01/11/484070111.db2.gz NYHKUERFSZPQMP-GFCCVEGCSA-N 0 3 366.418 -0.566 20 0 FBADHN COC(=O)c1cc(CN(C)C(=O)C(=O)N2CCN(C)C[C@@H]2CN)oc1C ZINC000576626894 484068908 /nfs/dbraw/zinc/06/89/08/484068908.db2.gz NYHKUERFSZPQMP-LBPRGKRZSA-N 0 3 366.418 -0.566 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H](C)O1 ZINC000576630869 484069057 /nfs/dbraw/zinc/06/90/57/484069057.db2.gz UPHOGYOYHPVNGK-FPCVCCKLSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H](C)O1 ZINC000576630871 484068943 /nfs/dbraw/zinc/06/89/43/484068943.db2.gz UPHOGYOYHPVNGK-KLHDSHLOSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H](C)O1 ZINC000576630873 484069282 /nfs/dbraw/zinc/06/92/82/484069282.db2.gz UPHOGYOYHPVNGK-QKPAOTATSA-N 0 3 365.478 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H](C)O1 ZINC000576630874 484069019 /nfs/dbraw/zinc/06/90/19/484069019.db2.gz UPHOGYOYHPVNGK-QXSJWSMHSA-N 0 3 365.478 -0.025 20 0 FBADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C1 ZINC000576644205 484071107 /nfs/dbraw/zinc/07/11/07/484071107.db2.gz AVDNUXXZEGSTPY-FMKPAKJESA-N 0 3 364.450 -0.240 20 0 FBADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C1 ZINC000576644206 484071559 /nfs/dbraw/zinc/07/15/59/484071559.db2.gz AVDNUXXZEGSTPY-LZWOXQAQSA-N 0 3 364.450 -0.240 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000576650235 484071586 /nfs/dbraw/zinc/07/15/86/484071586.db2.gz XIOACWPNMYZFMC-BZUAXINKSA-N 0 3 366.510 -0.787 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000576650236 484071537 /nfs/dbraw/zinc/07/15/37/484071537.db2.gz XIOACWPNMYZFMC-OAGGEKHMSA-N 0 3 366.510 -0.787 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000576650237 484071023 /nfs/dbraw/zinc/07/10/23/484071023.db2.gz XIOACWPNMYZFMC-OWCLPIDISA-N 0 3 366.510 -0.787 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000576650238 484071761 /nfs/dbraw/zinc/07/17/61/484071761.db2.gz XIOACWPNMYZFMC-PMPSAXMXSA-N 0 3 366.510 -0.787 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCc3nc(N)sc3C2)CC1=O ZINC000576663789 484528208 /nfs/dbraw/zinc/52/82/08/484528208.db2.gz KZZXFWQKTHXCPL-MNOVXSKESA-N 0 3 351.476 0.109 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCc3nc(N)sc3C2)CC1=O ZINC000576663792 484525811 /nfs/dbraw/zinc/52/58/11/484525811.db2.gz KZZXFWQKTHXCPL-QWRGUYRKSA-N 0 3 351.476 0.109 20 0 FBADHN C[C@@H]1CC[C@H](N(CCO)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000576671582 484072528 /nfs/dbraw/zinc/07/25/28/484072528.db2.gz DKEQUAGGMQRLSB-CVEARBPZSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H]1CC[C@H](N(CCO)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000576671588 484073477 /nfs/dbraw/zinc/07/34/77/484073477.db2.gz DKEQUAGGMQRLSB-HOTGVXAUSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@@H]1CC[C@@H](N(CCO)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000576671589 484073371 /nfs/dbraw/zinc/07/33/71/484073371.db2.gz DKEQUAGGMQRLSB-HZPDHXFCSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H]1CC[C@@H](N(CCO)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000576671590 484072466 /nfs/dbraw/zinc/07/24/66/484072466.db2.gz DKEQUAGGMQRLSB-JKSUJKDBSA-N 0 3 354.495 -0.298 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2=O)cn1 ZINC000576682580 484073112 /nfs/dbraw/zinc/07/31/12/484073112.db2.gz NFVRFXDBIUJKJV-AWEZNQCLSA-N 0 3 374.445 -0.708 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2=O)cn1 ZINC000576682581 484072921 /nfs/dbraw/zinc/07/29/21/484072921.db2.gz NFVRFXDBIUJKJV-CQSZACIVSA-N 0 3 374.445 -0.708 20 0 FBADHN COc1cccc(OCCN2CCN(C(=O)C(=O)NC3CNC3)CC2)c1 ZINC000576688570 484072326 /nfs/dbraw/zinc/07/23/26/484072326.db2.gz ONKJLKMRYQNRDV-UHFFFAOYSA-N 0 3 362.430 -0.694 20 0 FBADHN COc1cc(OC)cc(N2CCCN(C(=O)C(=O)NC3CNC3)CC2)c1 ZINC000576688660 484072408 /nfs/dbraw/zinc/07/24/08/484072408.db2.gz RBHULGIYPAKCSH-UHFFFAOYSA-N 0 3 362.430 -0.170 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000576688667 484073424 /nfs/dbraw/zinc/07/34/24/484073424.db2.gz RQMATDMBZIWTMG-UHFFFAOYSA-N 0 3 366.443 -0.956 20 0 FBADHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@]3(CCS(=O)(=O)C3)C2)C1=O ZINC000576697189 484072436 /nfs/dbraw/zinc/07/24/36/484072436.db2.gz RTUPDTFKFOHIMT-BBRMVZONSA-N 0 3 357.476 -0.424 20 0 FBADHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@]3(CCS(=O)(=O)C3)C2)C1=O ZINC000576697193 484072634 /nfs/dbraw/zinc/07/26/34/484072634.db2.gz RTUPDTFKFOHIMT-CJNGLKHVSA-N 0 3 357.476 -0.424 20 0 FBADHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@@]3(CCS(=O)(=O)C3)C2)C1=O ZINC000576697196 484073084 /nfs/dbraw/zinc/07/30/84/484073084.db2.gz RTUPDTFKFOHIMT-CZUORRHYSA-N 0 3 357.476 -0.424 20 0 FBADHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@@]3(CCS(=O)(=O)C3)C2)C1=O ZINC000576697198 484072560 /nfs/dbraw/zinc/07/25/60/484072560.db2.gz RTUPDTFKFOHIMT-XJKSGUPXSA-N 0 3 357.476 -0.424 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C(=O)C[C@H]3COCCN3)CC2)CC1 ZINC000576700453 484075298 /nfs/dbraw/zinc/07/52/98/484075298.db2.gz FSOWUXBYDAUIKI-INIZCTEOSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3COCCN3)CC2)CC1 ZINC000576700454 484074239 /nfs/dbraw/zinc/07/42/39/484074239.db2.gz FSOWUXBYDAUIKI-MRXNPFEDSA-N 0 3 352.479 -0.232 20 0 FBADHN COCCNCCNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000576701417 484074045 /nfs/dbraw/zinc/07/40/45/484074045.db2.gz BGTINSCHFMCFBH-GFCCVEGCSA-N 0 3 357.432 -0.244 20 0 FBADHN COCCNCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000576701427 484074126 /nfs/dbraw/zinc/07/41/26/484074126.db2.gz BGTINSCHFMCFBH-LBPRGKRZSA-N 0 3 357.432 -0.244 20 0 FBADHN CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000576716935 484074863 /nfs/dbraw/zinc/07/48/63/484074863.db2.gz ZHSOJURAVXHBGS-UHFFFAOYSA-N 0 3 372.495 -0.555 20 0 FBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000576718760 484074452 /nfs/dbraw/zinc/07/44/52/484074452.db2.gz HPNDJBPFUUUSIX-BXKDBHETSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000576718761 484074223 /nfs/dbraw/zinc/07/42/23/484074223.db2.gz HPNDJBPFUUUSIX-CABZTGNLSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000576718762 484074783 /nfs/dbraw/zinc/07/47/83/484074783.db2.gz HPNDJBPFUUUSIX-JOYOIKCWSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1c(F)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000576718763 484074569 /nfs/dbraw/zinc/07/45/69/484074569.db2.gz HPNDJBPFUUUSIX-SKDRFNHKSA-N 0 3 368.340 -0.318 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000576721195 484074811 /nfs/dbraw/zinc/07/48/11/484074811.db2.gz ABYOOEUBACXTAL-UHFFFAOYSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000576722045 484074345 /nfs/dbraw/zinc/07/43/45/484074345.db2.gz SZRATZIBECLXIL-UHFFFAOYSA-N 0 3 360.480 -0.919 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCOCC2CC2)CC1 ZINC000576724191 484074203 /nfs/dbraw/zinc/07/42/03/484074203.db2.gz PIRBNOALWCOYFP-UHFFFAOYSA-N 0 3 366.462 -0.704 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CCOCC3(CC3)C2)CC1 ZINC000576731956 484076166 /nfs/dbraw/zinc/07/61/66/484076166.db2.gz OWCYGZFMVQTUIP-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)NCCc2ccn(C)n2)ccn1 ZINC000576737589 484076301 /nfs/dbraw/zinc/07/63/01/484076301.db2.gz OABZPJXDRSXAEV-UHFFFAOYSA-N 0 3 374.445 -0.269 20 0 FBADHN CNC(=O)C(C)(C)CNC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000576737872 484075962 /nfs/dbraw/zinc/07/59/62/484075962.db2.gz RDXNVHKFCZLTOK-UHFFFAOYSA-N 0 3 370.494 -0.120 20 0 FBADHN Cc1ncc(CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)s1 ZINC000576743557 484076066 /nfs/dbraw/zinc/07/60/66/484076066.db2.gz DNWVHGVNOCBSTM-UHFFFAOYSA-N 0 3 351.476 -0.082 20 0 FBADHN CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000576755143 484075849 /nfs/dbraw/zinc/07/58/49/484075849.db2.gz QYOCJIRZGNPAPC-UHFFFAOYSA-N 0 3 353.404 -0.464 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N(C)c1ccccc1 ZINC000576769435 484078007 /nfs/dbraw/zinc/07/80/07/484078007.db2.gz RDQCJBGVIPOHKE-BMFZPTHFSA-N 0 3 373.457 -0.602 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N(C)c1ccccc1 ZINC000576769436 484078399 /nfs/dbraw/zinc/07/83/99/484078399.db2.gz RDQCJBGVIPOHKE-FVQBIDKESA-N 0 3 373.457 -0.602 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N(C)c1ccccc1 ZINC000576769437 484077855 /nfs/dbraw/zinc/07/78/55/484077855.db2.gz RDQCJBGVIPOHKE-KBMXLJTQSA-N 0 3 373.457 -0.602 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N(C)c1ccccc1 ZINC000576769438 484078485 /nfs/dbraw/zinc/07/84/85/484078485.db2.gz RDQCJBGVIPOHKE-VNQPRFMTSA-N 0 3 373.457 -0.602 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCc3nnnn3-c3ccccc3)CCN2C1=O ZINC000576769540 484078171 /nfs/dbraw/zinc/07/81/71/484078171.db2.gz VRNOXJXYHACOJZ-KBPBESRZSA-N 0 3 370.417 -0.842 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3nnnn3-c3ccccc3)CCN2C1=O ZINC000576769541 484078057 /nfs/dbraw/zinc/07/80/57/484078057.db2.gz VRNOXJXYHACOJZ-KGLIPLIRSA-N 0 3 370.417 -0.842 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3nnnn3-c3ccccc3)CCN2C1=O ZINC000576769542 484078511 /nfs/dbraw/zinc/07/85/11/484078511.db2.gz VRNOXJXYHACOJZ-UONOGXRCSA-N 0 3 370.417 -0.842 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3nnnn3-c3ccccc3)CCN2C1=O ZINC000576769543 484078533 /nfs/dbraw/zinc/07/85/33/484078533.db2.gz VRNOXJXYHACOJZ-ZIAGYGMSSA-N 0 3 370.417 -0.842 20 0 FBADHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)NCCOCCN(C)C ZINC000576779310 484078607 /nfs/dbraw/zinc/07/86/07/484078607.db2.gz DJXIAKIXGLXDKH-GFCCVEGCSA-N 0 3 353.467 -0.221 20 0 FBADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)NCCOCCN(C)C ZINC000576779312 484078631 /nfs/dbraw/zinc/07/86/31/484078631.db2.gz DJXIAKIXGLXDKH-LBPRGKRZSA-N 0 3 353.467 -0.221 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000576782900 484078683 /nfs/dbraw/zinc/07/86/83/484078683.db2.gz SXPZMSWAJFFWPP-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000576782906 484079038 /nfs/dbraw/zinc/07/90/38/484079038.db2.gz SXPZMSWAJFFWPP-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000576782907 484077699 /nfs/dbraw/zinc/07/76/99/484077699.db2.gz SXPZMSWAJFFWPP-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000576782908 484077920 /nfs/dbraw/zinc/07/79/20/484077920.db2.gz SXPZMSWAJFFWPP-LSDHHAIUSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000576787376 484078220 /nfs/dbraw/zinc/07/82/20/484078220.db2.gz CLKQYPBQCDXNHY-FMKPAKJESA-N 0 3 366.506 -0.111 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000576787379 484078456 /nfs/dbraw/zinc/07/84/56/484078456.db2.gz CLKQYPBQCDXNHY-IIAWOOMASA-N 0 3 366.506 -0.111 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000576787380 484077819 /nfs/dbraw/zinc/07/78/19/484077819.db2.gz CLKQYPBQCDXNHY-IJEWVQPXSA-N 0 3 366.506 -0.111 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000576787381 484078872 /nfs/dbraw/zinc/07/88/72/484078872.db2.gz CLKQYPBQCDXNHY-YCPHGPKFSA-N 0 3 366.506 -0.111 20 0 FBADHN COc1cccc(C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n2nnnc2C)c1 ZINC000576789889 484077933 /nfs/dbraw/zinc/07/79/33/484077933.db2.gz FTKHEYZRUODIEL-IKGGRYGDSA-N 0 3 374.445 -0.093 20 0 FBADHN COc1cccc(C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n2nnnc2C)c1 ZINC000576789890 484080291 /nfs/dbraw/zinc/08/02/91/484080291.db2.gz FTKHEYZRUODIEL-ULQDDVLXSA-N 0 3 374.445 -0.093 20 0 FBADHN Cc1nc(Cn2nnc(C(=O)N(CCN(C)C)CCN(C)C)c2C)no1 ZINC000576800131 484079850 /nfs/dbraw/zinc/07/98/50/484079850.db2.gz OCBHRTNKMKTCEQ-UHFFFAOYSA-N 0 3 364.454 -0.108 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)[C@H](CN)C1 ZINC000576808659 484080799 /nfs/dbraw/zinc/08/07/99/484080799.db2.gz LENTVLRAJKKFAE-GFCCVEGCSA-N 0 3 364.402 -0.988 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)[C@@H](CN)C1 ZINC000576808660 484080653 /nfs/dbraw/zinc/08/06/53/484080653.db2.gz LENTVLRAJKKFAE-LBPRGKRZSA-N 0 3 364.402 -0.988 20 0 FBADHN O=C(c1ccc2c(c1)CNC2)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000576821891 484079903 /nfs/dbraw/zinc/07/99/03/484079903.db2.gz GYYPBMSCMPJDEV-UHFFFAOYSA-N 0 3 350.444 -0.651 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000576824399 484080062 /nfs/dbraw/zinc/08/00/62/484080062.db2.gz QKZBJKRSSCNNIN-JSGCOSHPSA-N 0 3 361.402 -0.525 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000576824400 484079890 /nfs/dbraw/zinc/07/98/90/484079890.db2.gz QKZBJKRSSCNNIN-OCCSQVGLSA-N 0 3 361.402 -0.525 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000576833459 484080230 /nfs/dbraw/zinc/08/02/30/484080230.db2.gz PRZVJXUWWFPPPQ-INIZCTEOSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000576833460 484080052 /nfs/dbraw/zinc/08/00/52/484080052.db2.gz PRZVJXUWWFPPPQ-MRXNPFEDSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)NCCN(C)C ZINC000576837511 484081629 /nfs/dbraw/zinc/08/16/29/484081629.db2.gz OPYOSHDAFBVKTP-GFCCVEGCSA-N 0 3 350.419 -0.767 20 0 FBADHN C[C@H](NC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)NCCN(C)C ZINC000576837512 484081462 /nfs/dbraw/zinc/08/14/62/484081462.db2.gz OPYOSHDAFBVKTP-LBPRGKRZSA-N 0 3 350.419 -0.767 20 0 FBADHN CC(C)(C)c1ccncc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576837664 484082647 /nfs/dbraw/zinc/08/26/47/484082647.db2.gz BUXONOHKNYWPFN-DZGCQCFKSA-N 0 3 373.457 -0.234 20 0 FBADHN CC(C)(C)c1ccncc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576837671 484081996 /nfs/dbraw/zinc/08/19/96/484081996.db2.gz BUXONOHKNYWPFN-HIFRSBDPSA-N 0 3 373.457 -0.234 20 0 FBADHN CC(C)(C)c1ccncc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576837672 484082356 /nfs/dbraw/zinc/08/23/56/484082356.db2.gz BUXONOHKNYWPFN-UKRRQHHQSA-N 0 3 373.457 -0.234 20 0 FBADHN CC(C)(C)c1ccncc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576837675 484082005 /nfs/dbraw/zinc/08/20/05/484082005.db2.gz BUXONOHKNYWPFN-ZFWWWQNUSA-N 0 3 373.457 -0.234 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2cnc[nH]2)CC1 ZINC000576838325 484082180 /nfs/dbraw/zinc/08/21/80/484082180.db2.gz PGEKYBVUVLVORL-UHFFFAOYSA-N 0 3 364.450 -0.619 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CC1 ZINC000576838325 484082175 /nfs/dbraw/zinc/08/21/75/484082175.db2.gz PGEKYBVUVLVORL-UHFFFAOYSA-N 0 3 364.450 -0.619 20 0 FBADHN COc1cc(F)c(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576839276 484082255 /nfs/dbraw/zinc/08/22/55/484082255.db2.gz XSHWFKJIXCQOFF-GZMMTYOYSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1cc(F)c(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576839277 484081481 /nfs/dbraw/zinc/08/14/81/484081481.db2.gz XSHWFKJIXCQOFF-KCJUWKMLSA-N 0 3 368.340 -0.318 20 0 FBADHN COc1cc(F)c(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576839279 484082084 /nfs/dbraw/zinc/08/20/84/484082084.db2.gz XSHWFKJIXCQOFF-KWQFWETISA-N 0 3 368.340 -0.318 20 0 FBADHN COc1cc(F)c(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576839280 484082049 /nfs/dbraw/zinc/08/20/49/484082049.db2.gz XSHWFKJIXCQOFF-LDYMZIIASA-N 0 3 368.340 -0.318 20 0 FBADHN Cc1ccc(CNC(=O)C2CCN(C(=O)C(=O)NC3CNC3)CC2)cc1 ZINC000576850188 484081900 /nfs/dbraw/zinc/08/19/00/484081900.db2.gz NZWXEXIAIDOJPA-UHFFFAOYSA-N 0 3 358.442 -0.062 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)C[C@H]1c1cccc(F)c1 ZINC000576861324 484081427 /nfs/dbraw/zinc/08/14/27/484081427.db2.gz YDZWFINIQAVETF-XUWVNRHRSA-N 0 3 363.389 -0.295 20 0 FBADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CNCCO1)C2=O ZINC000576862009 484081917 /nfs/dbraw/zinc/08/19/17/484081917.db2.gz ALTREVCUUKBWIB-JZLYGMAVSA-N 0 3 352.435 -0.018 20 0 FBADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CNCCO1)C2=O ZINC000576862010 484082062 /nfs/dbraw/zinc/08/20/62/484082062.db2.gz ALTREVCUUKBWIB-UIORMTCPSA-N 0 3 352.435 -0.018 20 0 FBADHN CC(C)[C@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)N1CCCS1(=O)=O ZINC000576871500 484081765 /nfs/dbraw/zinc/08/17/65/484081765.db2.gz JCLORGFNOBFNOO-LLVKDONJSA-N 0 3 371.467 -0.787 20 0 FBADHN CC(C)[C@@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)N1CCCS1(=O)=O ZINC000576871506 484082633 /nfs/dbraw/zinc/08/26/33/484082633.db2.gz JCLORGFNOBFNOO-NSHDSACASA-N 0 3 371.467 -0.787 20 0 FBADHN COC(=O)C1(CNc2nc(NCCO)nc(NC(C)C)n2)CCCCC1 ZINC000576873666 484081810 /nfs/dbraw/zinc/08/18/10/484081810.db2.gz YIWUKRXABRCGNT-UHFFFAOYSA-N 0 3 366.466 -0.103 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000576875423 484082419 /nfs/dbraw/zinc/08/24/19/484082419.db2.gz ZWCKVPOUZLWKHF-CYBMUJFWSA-N 0 3 374.401 -0.187 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000576875433 484081672 /nfs/dbraw/zinc/08/16/72/484081672.db2.gz ZWCKVPOUZLWKHF-ZDUSSCGKSA-N 0 3 374.401 -0.187 20 0 FBADHN CNS(=O)(=O)NC1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000576876813 484081523 /nfs/dbraw/zinc/08/15/23/484081523.db2.gz WGSKYMRIARWOLC-UHFFFAOYSA-N 0 3 373.523 -0.752 20 0 FBADHN COc1cccc(OC)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576887424 484084043 /nfs/dbraw/zinc/08/40/43/484084043.db2.gz HEYKWDYQFCDELJ-GHMZBOCLSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1cccc(OC)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576887425 484084185 /nfs/dbraw/zinc/08/41/85/484084185.db2.gz HEYKWDYQFCDELJ-MNOVXSKESA-N 0 3 355.416 -0.364 20 0 FBADHN COc1cccc(OC)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576887426 484084087 /nfs/dbraw/zinc/08/40/87/484084087.db2.gz HEYKWDYQFCDELJ-QWRGUYRKSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1cccc(OC)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576887427 484083959 /nfs/dbraw/zinc/08/39/59/484083959.db2.gz HEYKWDYQFCDELJ-WDEREUQCSA-N 0 3 355.416 -0.364 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](CO)c1ccnn1C ZINC000576887755 484083562 /nfs/dbraw/zinc/08/35/62/484083562.db2.gz POBZGEKQPGMNGC-CYBMUJFWSA-N 0 3 370.479 -0.193 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](CO)c1ccnn1C ZINC000576887756 484083376 /nfs/dbraw/zinc/08/33/76/484083376.db2.gz POBZGEKQPGMNGC-ZDUSSCGKSA-N 0 3 370.479 -0.193 20 0 FBADHN COCCOc1ncccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576888416 484084233 /nfs/dbraw/zinc/08/42/33/484084233.db2.gz NPVQMHVQQBMGRN-KBPBESRZSA-N 0 3 363.418 -0.440 20 0 FBADHN COCCOc1ncccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576888417 484083910 /nfs/dbraw/zinc/08/39/10/484083910.db2.gz NPVQMHVQQBMGRN-KGLIPLIRSA-N 0 3 363.418 -0.440 20 0 FBADHN COCCOc1ncccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576888418 484084453 /nfs/dbraw/zinc/08/44/53/484084453.db2.gz NPVQMHVQQBMGRN-UONOGXRCSA-N 0 3 363.418 -0.440 20 0 FBADHN COCCOc1ncccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576888419 484083819 /nfs/dbraw/zinc/08/38/19/484083819.db2.gz NPVQMHVQQBMGRN-ZIAGYGMSSA-N 0 3 363.418 -0.440 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2cnn(C)c2)CC1=O ZINC000576893755 484084078 /nfs/dbraw/zinc/08/40/78/484084078.db2.gz RCSJVPOLUABHAU-HNNXBMFYSA-N 0 3 351.451 -0.352 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2cnn(C)c2)CC1=O ZINC000576893757 484084347 /nfs/dbraw/zinc/08/43/47/484084347.db2.gz RCSJVPOLUABHAU-OAHLLOKOSA-N 0 3 351.451 -0.352 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCCO1 ZINC000576901280 484083887 /nfs/dbraw/zinc/08/38/87/484083887.db2.gz RFRXGECJZKOHBG-RBSFLKMASA-N 0 3 366.462 -0.660 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCCO1 ZINC000576901281 484084471 /nfs/dbraw/zinc/08/44/71/484084471.db2.gz RFRXGECJZKOHBG-RRFJBIMHSA-N 0 3 366.462 -0.660 20 0 FBADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cc(C(N)=O)c1 ZINC000576916617 484086087 /nfs/dbraw/zinc/08/60/87/484086087.db2.gz LYAGFXMSGCCKMM-UHFFFAOYSA-N 0 3 363.462 -0.016 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2COc3ccc(Cl)cc32)[C@@H](CN)C1 ZINC000576928852 484085301 /nfs/dbraw/zinc/08/53/01/484085301.db2.gz CSHRTXXUADJYDN-AAEUAGOBSA-N 0 3 352.822 -0.009 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2COc3ccc(Cl)cc32)[C@H](CN)C1 ZINC000576928856 484086018 /nfs/dbraw/zinc/08/60/18/484086018.db2.gz CSHRTXXUADJYDN-DGCLKSJQSA-N 0 3 352.822 -0.009 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2COc3ccc(Cl)cc32)[C@@H](CN)C1 ZINC000576928858 484085975 /nfs/dbraw/zinc/08/59/75/484085975.db2.gz CSHRTXXUADJYDN-WCQYABFASA-N 0 3 352.822 -0.009 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2COc3ccc(Cl)cc32)[C@H](CN)C1 ZINC000576928859 484086115 /nfs/dbraw/zinc/08/61/15/484086115.db2.gz CSHRTXXUADJYDN-YPMHNXCESA-N 0 3 352.822 -0.009 20 0 FBADHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c(C)c12 ZINC000576929858 484085992 /nfs/dbraw/zinc/08/59/92/484085992.db2.gz FCHAVVPCEMRUOZ-KBPBESRZSA-N 0 3 361.446 -0.056 20 0 FBADHN C[C@@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)NCCN(C)C ZINC000576957240 484087723 /nfs/dbraw/zinc/08/77/23/484087723.db2.gz MCXDGMWLDZWOIS-CYBMUJFWSA-N 0 3 362.496 -0.625 20 0 FBADHN C[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)NCCN(C)C ZINC000576957245 484086786 /nfs/dbraw/zinc/08/67/86/484086786.db2.gz MCXDGMWLDZWOIS-ZDUSSCGKSA-N 0 3 362.496 -0.625 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000576957899 484087696 /nfs/dbraw/zinc/08/76/96/484087696.db2.gz WDJAEWAWWNJMHB-DZGCQCFKSA-N 0 3 352.460 -0.319 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000576957900 484086978 /nfs/dbraw/zinc/08/69/78/484086978.db2.gz WDJAEWAWWNJMHB-HIFRSBDPSA-N 0 3 352.460 -0.319 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000576957901 484087030 /nfs/dbraw/zinc/08/70/30/484087030.db2.gz WDJAEWAWWNJMHB-UKRRQHHQSA-N 0 3 352.460 -0.319 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000576957902 484086920 /nfs/dbraw/zinc/08/69/20/484086920.db2.gz WDJAEWAWWNJMHB-ZFWWWQNUSA-N 0 3 352.460 -0.319 20 0 FBADHN CN(C)C(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000576958517 484088335 /nfs/dbraw/zinc/08/83/35/484088335.db2.gz MBVNSSOLDBLWFN-CABCVRRESA-N 0 3 359.430 -0.158 20 0 FBADHN CN(C)C(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000576958518 484088144 /nfs/dbraw/zinc/08/81/44/484088144.db2.gz MBVNSSOLDBLWFN-GJZGRUSLSA-N 0 3 359.430 -0.158 20 0 FBADHN CN(C)C(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000576958519 484087378 /nfs/dbraw/zinc/08/73/78/484087378.db2.gz MBVNSSOLDBLWFN-HUUCEWRRSA-N 0 3 359.430 -0.158 20 0 FBADHN CN(C)C(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000576958520 484086964 /nfs/dbraw/zinc/08/69/64/484086964.db2.gz MBVNSSOLDBLWFN-LSDHHAIUSA-N 0 3 359.430 -0.158 20 0 FBADHN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@]2(O)CN3CCC2CC3)C1=O ZINC000576965355 484087334 /nfs/dbraw/zinc/08/73/34/484087334.db2.gz ZOLFMPSXUMYCLT-DLBZAZTESA-N 0 3 350.419 -0.720 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@]2(O)CN3CCC2CC3)C1=O ZINC000576965356 484086853 /nfs/dbraw/zinc/08/68/53/484086853.db2.gz ZOLFMPSXUMYCLT-IAGOWNOFSA-N 0 3 350.419 -0.720 20 0 FBADHN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@]2(O)CN3CCC2CC3)C1=O ZINC000576965357 484087256 /nfs/dbraw/zinc/08/72/56/484087256.db2.gz ZOLFMPSXUMYCLT-IRXDYDNUSA-N 0 3 350.419 -0.720 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@]2(O)CN3CCC2CC3)C1=O ZINC000576965358 484087298 /nfs/dbraw/zinc/08/72/98/484087298.db2.gz ZOLFMPSXUMYCLT-SJORKVTESA-N 0 3 350.419 -0.720 20 0 FBADHN CC(=O)NCCN(C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000576986016 484089468 /nfs/dbraw/zinc/08/94/68/484089468.db2.gz DDLIOBXSPAAALF-UHFFFAOYSA-N 0 3 370.475 -0.549 20 0 FBADHN N[C@@H]1C[C@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CCN2C1=O ZINC000577005358 484089995 /nfs/dbraw/zinc/08/99/95/484089995.db2.gz VNVVGALZGVIHLG-GXTWGEPZSA-N 0 3 365.459 -0.386 20 0 FBADHN N[C@H]1C[C@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CCN2C1=O ZINC000577005359 484089526 /nfs/dbraw/zinc/08/95/26/484089526.db2.gz VNVVGALZGVIHLG-JSGCOSHPSA-N 0 3 365.459 -0.386 20 0 FBADHN N[C@H]1C[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CCN2C1=O ZINC000577005360 484089607 /nfs/dbraw/zinc/08/96/07/484089607.db2.gz VNVVGALZGVIHLG-OCCSQVGLSA-N 0 3 365.459 -0.386 20 0 FBADHN N[C@@H]1C[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CCN2C1=O ZINC000577005361 484090080 /nfs/dbraw/zinc/09/00/80/484090080.db2.gz VNVVGALZGVIHLG-TZMCWYRMSA-N 0 3 365.459 -0.386 20 0 FBADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000577005995 484088933 /nfs/dbraw/zinc/08/89/33/484088933.db2.gz JODHPFYLMJAKCA-CHWSQXEVSA-N 0 3 373.413 -0.936 20 0 FBADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000577005996 484089805 /nfs/dbraw/zinc/08/98/05/484089805.db2.gz JODHPFYLMJAKCA-OLZOCXBDSA-N 0 3 373.413 -0.936 20 0 FBADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000577005997 484089821 /nfs/dbraw/zinc/08/98/21/484089821.db2.gz JODHPFYLMJAKCA-QWHCGFSZSA-N 0 3 373.413 -0.936 20 0 FBADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000577005998 484089383 /nfs/dbraw/zinc/08/93/83/484089383.db2.gz JODHPFYLMJAKCA-STQMWFEESA-N 0 3 373.413 -0.936 20 0 FBADHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)o1 ZINC000577006607 484089263 /nfs/dbraw/zinc/08/92/63/484089263.db2.gz ZXLRVECACWXGNW-MHDGFBEUSA-N 0 3 360.414 -0.210 20 0 FBADHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)o1 ZINC000577006608 484090101 /nfs/dbraw/zinc/09/01/01/484090101.db2.gz ZXLRVECACWXGNW-RFHZTLPTSA-N 0 3 360.414 -0.210 20 0 FBADHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)o1 ZINC000577006609 484088766 /nfs/dbraw/zinc/08/87/66/484088766.db2.gz ZXLRVECACWXGNW-UVLXDEKHSA-N 0 3 360.414 -0.210 20 0 FBADHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)o1 ZINC000577006610 484089342 /nfs/dbraw/zinc/08/93/42/484089342.db2.gz ZXLRVECACWXGNW-XWUBHJNHSA-N 0 3 360.414 -0.210 20 0 FBADHN CN1CCC(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000577007370 484091157 /nfs/dbraw/zinc/09/11/57/484091157.db2.gz LCTDCOJLHAJDBF-KRWDZBQOSA-N 0 3 370.519 -0.479 20 0 FBADHN CN1CCC(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000577007371 484091012 /nfs/dbraw/zinc/09/10/12/484091012.db2.gz LCTDCOJLHAJDBF-QGZVFWFLSA-N 0 3 370.519 -0.479 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000577019469 484090865 /nfs/dbraw/zinc/09/08/65/484090865.db2.gz UFLYWKIFFXSBQV-UHFFFAOYSA-N 0 3 350.467 -0.098 20 0 FBADHN COc1ccc(C(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000577026336 484093240 /nfs/dbraw/zinc/09/32/40/484093240.db2.gz NFCJDNZZQUVJLA-GFCCVEGCSA-N 0 3 350.419 -0.393 20 0 FBADHN COc1ccc(C(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000577026337 484092532 /nfs/dbraw/zinc/09/25/32/484092532.db2.gz NFCJDNZZQUVJLA-LBPRGKRZSA-N 0 3 350.419 -0.393 20 0 FBADHN Cn1nnc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000577041221 484092992 /nfs/dbraw/zinc/09/29/92/484092992.db2.gz ASBDMNDNENBWTJ-CABCVRRESA-N 0 3 359.434 -0.108 20 0 FBADHN Cn1nnc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000577041223 484093215 /nfs/dbraw/zinc/09/32/15/484093215.db2.gz ASBDMNDNENBWTJ-GJZGRUSLSA-N 0 3 359.434 -0.108 20 0 FBADHN Cn1nnc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000577041225 484093169 /nfs/dbraw/zinc/09/31/69/484093169.db2.gz ASBDMNDNENBWTJ-HUUCEWRRSA-N 0 3 359.434 -0.108 20 0 FBADHN Cn1nnc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000577041228 484093432 /nfs/dbraw/zinc/09/34/32/484093432.db2.gz ASBDMNDNENBWTJ-LSDHHAIUSA-N 0 3 359.434 -0.108 20 0 FBADHN CN1CCN(CC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CC1=O ZINC000577043295 484093123 /nfs/dbraw/zinc/09/31/23/484093123.db2.gz SZKODCAPJJENMR-UHFFFAOYSA-N 0 3 374.485 -0.096 20 0 FBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c1C ZINC000577046857 484093643 /nfs/dbraw/zinc/09/36/43/484093643.db2.gz NRLMDEBXWXJUJX-GJZGRUSLSA-N 0 3 370.475 -0.504 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)[C@@H](CN)C1 ZINC000577047452 484093031 /nfs/dbraw/zinc/09/30/31/484093031.db2.gz FIXVVYUXBVLVGN-INIZCTEOSA-N 0 3 356.430 -0.410 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)[C@H](CN)C1 ZINC000577047456 484093326 /nfs/dbraw/zinc/09/33/26/484093326.db2.gz FIXVVYUXBVLVGN-MRXNPFEDSA-N 0 3 356.430 -0.410 20 0 FBADHN CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000577047518 484093289 /nfs/dbraw/zinc/09/32/89/484093289.db2.gz KVOOKQXRBWPMLS-HNNXBMFYSA-N 0 3 361.446 -0.846 20 0 FBADHN CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000577047524 484092673 /nfs/dbraw/zinc/09/26/73/484092673.db2.gz KVOOKQXRBWPMLS-OAHLLOKOSA-N 0 3 361.446 -0.846 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc3c2OCCCO3)[C@@H](CN)C1 ZINC000577047870 484093067 /nfs/dbraw/zinc/09/30/67/484093067.db2.gz XTSIDCPNCUATJE-AWEZNQCLSA-N 0 3 362.430 -0.435 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc3c2OCCCO3)[C@H](CN)C1 ZINC000577047875 484093629 /nfs/dbraw/zinc/09/36/29/484093629.db2.gz XTSIDCPNCUATJE-CQSZACIVSA-N 0 3 362.430 -0.435 20 0 FBADHN CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)NC1CNC1 ZINC000577048073 484094745 /nfs/dbraw/zinc/09/47/45/484094745.db2.gz ZMWXCGNALFJVKP-UHFFFAOYSA-N 0 3 369.443 -0.595 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)[C@H](CN)C1 ZINC000577054436 484094736 /nfs/dbraw/zinc/09/47/36/484094736.db2.gz LZZBTGAVEVWPQK-CHWSQXEVSA-N 0 3 354.842 -0.589 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)[C@@H](CN)C1 ZINC000577054437 484095077 /nfs/dbraw/zinc/09/50/77/484095077.db2.gz LZZBTGAVEVWPQK-OLZOCXBDSA-N 0 3 354.842 -0.589 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)[C@H](CN)C1 ZINC000577054438 484094427 /nfs/dbraw/zinc/09/44/27/484094427.db2.gz LZZBTGAVEVWPQK-QWHCGFSZSA-N 0 3 354.842 -0.589 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)[C@@H](CN)C1 ZINC000577054439 484094497 /nfs/dbraw/zinc/09/44/97/484094497.db2.gz LZZBTGAVEVWPQK-STQMWFEESA-N 0 3 354.842 -0.589 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)[C@@H](CN)C1 ZINC000577054448 484095351 /nfs/dbraw/zinc/09/53/51/484095351.db2.gz OYXAZPVWMSLWFU-HNNXBMFYSA-N 0 3 361.446 -0.858 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)[C@H](CN)C1 ZINC000577054449 484094988 /nfs/dbraw/zinc/09/49/88/484094988.db2.gz OYXAZPVWMSLWFU-OAHLLOKOSA-N 0 3 361.446 -0.858 20 0 FBADHN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NC[C@H]1CNCCO1 ZINC000577054742 484095376 /nfs/dbraw/zinc/09/53/76/484095376.db2.gz ITJGKAFBMAOGAL-GFCCVEGCSA-N 0 3 370.427 -0.274 20 0 FBADHN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NC[C@@H]1CNCCO1 ZINC000577054746 484094516 /nfs/dbraw/zinc/09/45/16/484094516.db2.gz ITJGKAFBMAOGAL-LBPRGKRZSA-N 0 3 370.427 -0.274 20 0 FBADHN CCS(=O)(=O)NCCNC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000577055012 484094680 /nfs/dbraw/zinc/09/46/80/484094680.db2.gz MSPJNJPMTANCKT-CYBMUJFWSA-N 0 3 371.459 -0.160 20 0 FBADHN CCS(=O)(=O)NCCNC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000577055013 484094138 /nfs/dbraw/zinc/09/41/38/484094138.db2.gz MSPJNJPMTANCKT-ZDUSSCGKSA-N 0 3 371.459 -0.160 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCSC1 ZINC000577071002 484097262 /nfs/dbraw/zinc/09/72/62/484097262.db2.gz HMDOKUIIONPECB-AWEZNQCLSA-N 0 3 368.503 -0.283 20 0 FBADHN CN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCSC1 ZINC000577071007 484096244 /nfs/dbraw/zinc/09/62/44/484096244.db2.gz HMDOKUIIONPECB-CQSZACIVSA-N 0 3 368.503 -0.283 20 0 FBADHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000577074762 484096912 /nfs/dbraw/zinc/09/69/12/484096912.db2.gz KROJXFHXOZRXTQ-CIQGVGRVSA-N 0 3 351.451 -0.367 20 0 FBADHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000577074766 484097294 /nfs/dbraw/zinc/09/72/94/484097294.db2.gz KROJXFHXOZRXTQ-FMCLSXCISA-N 0 3 351.451 -0.367 20 0 FBADHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000577074768 484096414 /nfs/dbraw/zinc/09/64/14/484096414.db2.gz KROJXFHXOZRXTQ-GFQSEFKGSA-N 0 3 351.451 -0.367 20 0 FBADHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000577074770 484096391 /nfs/dbraw/zinc/09/63/91/484096391.db2.gz KROJXFHXOZRXTQ-HKUMRIAESA-N 0 3 351.451 -0.367 20 0 FBADHN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000577074790 484096438 /nfs/dbraw/zinc/09/64/38/484096438.db2.gz LDPBJTJYRVKOCX-KBPBESRZSA-N 0 3 359.386 -0.646 20 0 FBADHN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000577074793 484097142 /nfs/dbraw/zinc/09/71/42/484097142.db2.gz LDPBJTJYRVKOCX-KGLIPLIRSA-N 0 3 359.386 -0.646 20 0 FBADHN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000577074795 484096285 /nfs/dbraw/zinc/09/62/85/484096285.db2.gz LDPBJTJYRVKOCX-UONOGXRCSA-N 0 3 359.386 -0.646 20 0 FBADHN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000577074797 484097102 /nfs/dbraw/zinc/09/71/02/484097102.db2.gz LDPBJTJYRVKOCX-ZIAGYGMSSA-N 0 3 359.386 -0.646 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOCC3CCCC3)CCN2C1=O ZINC000577075079 484096463 /nfs/dbraw/zinc/09/64/63/484096463.db2.gz OWUIXUKPAHYMHX-KBPBESRZSA-N 0 3 352.435 -0.920 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOCC3CCCC3)CCN2C1=O ZINC000577075080 484097363 /nfs/dbraw/zinc/09/73/63/484097363.db2.gz OWUIXUKPAHYMHX-KGLIPLIRSA-N 0 3 352.435 -0.920 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOCC3CCCC3)CCN2C1=O ZINC000577075081 484096275 /nfs/dbraw/zinc/09/62/75/484096275.db2.gz OWUIXUKPAHYMHX-UONOGXRCSA-N 0 3 352.435 -0.920 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOCC3CCCC3)CCN2C1=O ZINC000577075082 484096432 /nfs/dbraw/zinc/09/64/32/484096432.db2.gz OWUIXUKPAHYMHX-ZIAGYGMSSA-N 0 3 352.435 -0.920 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000577080842 484098374 /nfs/dbraw/zinc/09/83/74/484098374.db2.gz OJKYPDFVZMTFIB-UHFFFAOYSA-N 0 3 350.467 -0.478 20 0 FBADHN CN(C)[C@H]1CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C[C@@H]1O ZINC000577084171 484098749 /nfs/dbraw/zinc/09/87/49/484098749.db2.gz IEECIURMZGRHFP-STQMWFEESA-N 0 3 352.435 -0.283 20 0 FBADHN CCNc1nc(NCC2(O)CCS(=O)(=O)CC2)nc(NC(C)(C)C)n1 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FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)COC)CC1 ZINC000577132447 484101613 /nfs/dbraw/zinc/10/16/13/484101613.db2.gz PTUWUSWEDVBWBI-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)COC)CC1 ZINC000577132448 484101621 /nfs/dbraw/zinc/10/16/21/484101621.db2.gz PTUWUSWEDVBWBI-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000577140209 484101877 /nfs/dbraw/zinc/10/18/77/484101877.db2.gz WKMUJEWZTVYINQ-GDBMZVCRSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000577140210 484101675 /nfs/dbraw/zinc/10/16/75/484101675.db2.gz WKMUJEWZTVYINQ-GOEBONIOSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000577140211 484102182 /nfs/dbraw/zinc/10/21/82/484102182.db2.gz WKMUJEWZTVYINQ-HOCLYGCPSA-N 0 3 371.478 -0.134 20 0 FBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000577140212 484102036 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NC(C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C(F)(F)F ZINC000577175552 484105166 /nfs/dbraw/zinc/10/51/66/484105166.db2.gz DVQUAQIALWIACS-ZDUSSCGKSA-N 0 3 374.367 -0.149 20 0 FBADHN O=C(CSCC(=O)N1CCCCC1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000577175641 484104658 /nfs/dbraw/zinc/10/46/58/484104658.db2.gz GAFKITGWFMYDNS-UHFFFAOYSA-N 0 3 367.479 -0.102 20 0 FBADHN CN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1(CN)CCC1 ZINC000577178086 484105136 /nfs/dbraw/zinc/10/51/36/484105136.db2.gz LJZKDROPKOHCIX-CABCVRRESA-N 0 3 373.519 -0.006 20 0 FBADHN CN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1(CN)CCC1 ZINC000577178090 484104966 /nfs/dbraw/zinc/10/49/66/484104966.db2.gz LJZKDROPKOHCIX-GJZGRUSLSA-N 0 3 373.519 -0.006 20 0 FBADHN CN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1(CN)CCC1 ZINC000577178092 484104706 /nfs/dbraw/zinc/10/47/06/484104706.db2.gz LJZKDROPKOHCIX-HUUCEWRRSA-N 0 3 373.519 -0.006 20 0 FBADHN CN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1(CN)CCC1 ZINC000577178094 484105269 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0 FBADHN COC1CCN(C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000577193050 484106171 /nfs/dbraw/zinc/10/61/71/484106171.db2.gz SPLVCIAGANEUDZ-HIFRSBDPSA-N 0 3 367.494 -0.171 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000577193051 484106614 /nfs/dbraw/zinc/10/66/14/484106614.db2.gz SPLVCIAGANEUDZ-UKRRQHHQSA-N 0 3 367.494 -0.171 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000577193053 484106489 /nfs/dbraw/zinc/10/64/89/484106489.db2.gz SPLVCIAGANEUDZ-ZFWWWQNUSA-N 0 3 367.494 -0.171 20 0 FBADHN CNS(=O)(=O)NCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000577194329 484107041 /nfs/dbraw/zinc/10/70/41/484107041.db2.gz AUFRPUTZWIHSHV-UHFFFAOYSA-N 0 3 371.419 -0.852 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCc2cccnc2N(C)C)CC1 ZINC000577197031 484106331 /nfs/dbraw/zinc/10/63/31/484106331.db2.gz OKWNGWCZTIGWDM-UHFFFAOYSA-N 0 3 363.462 -0.009 20 0 FBADHN O=C(C(=O)N1CCN(c2cnccn2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000577200548 484106465 /nfs/dbraw/zinc/10/64/65/484106465.db2.gz AZIXNJAGVKAFPC-HNNXBMFYSA-N 0 3 358.446 -0.178 20 0 FBADHN O=C(C(=O)N1CCN(c2cnccn2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000577200549 484106263 /nfs/dbraw/zinc/10/62/63/484106263.db2.gz AZIXNJAGVKAFPC-OAHLLOKOSA-N 0 3 358.446 -0.178 20 0 FBADHN Cn1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c(-c2ccccc2)n1 ZINC000577208989 484108595 /nfs/dbraw/zinc/10/85/95/484108595.db2.gz KQDSMCVVKLNQJK-INIZCTEOSA-N 0 3 370.457 -0.195 20 0 FBADHN Cn1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c(-c2ccccc2)n1 ZINC000577208990 484108545 /nfs/dbraw/zinc/10/85/45/484108545.db2.gz KQDSMCVVKLNQJK-MRXNPFEDSA-N 0 3 370.457 -0.195 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000577209186 484107703 /nfs/dbraw/zinc/10/77/03/484107703.db2.gz VRHVDPNXESJJOW-CHWSQXEVSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000577209187 484107982 /nfs/dbraw/zinc/10/79/82/484107982.db2.gz VRHVDPNXESJJOW-OLZOCXBDSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000577209188 484107485 /nfs/dbraw/zinc/10/74/85/484107485.db2.gz VRHVDPNXESJJOW-QWHCGFSZSA-N 0 3 360.480 -0.840 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000577209189 484108210 /nfs/dbraw/zinc/10/82/10/484108210.db2.gz VRHVDPNXESJJOW-STQMWFEESA-N 0 3 360.480 -0.840 20 0 FBADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)NCCCCN2CCOCC2)n[nH]1 ZINC000577209301 484108562 /nfs/dbraw/zinc/10/85/62/484108562.db2.gz HAGLXMQBRXNCSA-CYBMUJFWSA-N 0 3 351.451 -0.006 20 0 FBADHN Cc1cc(C[C@H](C)NC(=O)C(=O)NCCCCN2CCOCC2)n[nH]1 ZINC000577209302 484108025 /nfs/dbraw/zinc/10/80/25/484108025.db2.gz HAGLXMQBRXNCSA-ZDUSSCGKSA-N 0 3 351.451 -0.006 20 0 FBADHN C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)NCCN(C)C ZINC000577229510 484108040 /nfs/dbraw/zinc/10/80/40/484108040.db2.gz LFDDFOKNBHHLMW-GFCCVEGCSA-N 0 3 356.448 -0.853 20 0 FBADHN C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)NCCN(C)C ZINC000577229511 484108279 /nfs/dbraw/zinc/10/82/79/484108279.db2.gz LFDDFOKNBHHLMW-LBPRGKRZSA-N 0 3 356.448 -0.853 20 0 FBADHN Cc1nn(C)c(N2CCOCC2)c1CNCCCN1CCNC(=O)C1 ZINC000577231600 484107729 /nfs/dbraw/zinc/10/77/29/484107729.db2.gz MYELCXKTZKLCGF-UHFFFAOYSA-N 0 3 350.467 -0.523 20 0 FBADHN CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000577241549 484108139 /nfs/dbraw/zinc/10/81/39/484108139.db2.gz XHZLQHZWLKCEDE-CYBMUJFWSA-N 0 3 356.467 -0.556 20 0 FBADHN CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000577241550 484108502 /nfs/dbraw/zinc/10/85/02/484108502.db2.gz XHZLQHZWLKCEDE-ZDUSSCGKSA-N 0 3 356.467 -0.556 20 0 FBADHN CC[C@@H](NC[C@H](O)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242110 484107951 /nfs/dbraw/zinc/10/79/51/484107951.db2.gz SIXPZBNWSWAMPN-DOTOQJQBSA-N 0 3 370.519 -0.017 20 0 FBADHN CC[C@@H](NC[C@@H](O)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242111 484108086 /nfs/dbraw/zinc/10/80/86/484108086.db2.gz SIXPZBNWSWAMPN-NVXWUHKLSA-N 0 3 370.519 -0.017 20 0 FBADHN CC[C@H](NC[C@H](O)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242112 484107784 /nfs/dbraw/zinc/10/77/84/484107784.db2.gz SIXPZBNWSWAMPN-RDJZCZTQSA-N 0 3 370.519 -0.017 20 0 FBADHN CC[C@H](NC[C@@H](O)CN1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242113 484107864 /nfs/dbraw/zinc/10/78/64/484107864.db2.gz SIXPZBNWSWAMPN-WBVHZDCISA-N 0 3 370.519 -0.017 20 0 FBADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000577250863 484351996 /nfs/dbraw/zinc/35/19/96/484351996.db2.gz JWAIEONNCVUPPX-UHFFFAOYSA-N 0 3 362.478 0.380 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC2(C1)CCOCC2 ZINC000577266278 484109053 /nfs/dbraw/zinc/10/90/53/484109053.db2.gz QDSINYHDQNQFBB-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN COC(=O)Cn1cc(CNC[C@H](O)CN2CCc3ccccc3C2)nn1 ZINC000577275314 484109143 /nfs/dbraw/zinc/10/91/43/484109143.db2.gz UOXLUPOFRRDITJ-KRWDZBQOSA-N 0 3 359.430 -0.040 20 0 FBADHN COC(=O)Cn1cc(CNC[C@@H](O)CN2CCc3ccccc3C2)nn1 ZINC000577275315 484109935 /nfs/dbraw/zinc/10/99/35/484109935.db2.gz UOXLUPOFRRDITJ-QGZVFWFLSA-N 0 3 359.430 -0.040 20 0 FBADHN C[C@H](C[NH+]1CCC(C)CC1)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000577291566 484111666 /nfs/dbraw/zinc/11/16/66/484111666.db2.gz FAINKMVRYMUQEI-GFCCVEGCSA-N 0 3 358.464 -0.517 20 0 FBADHN C[C@@H](C[NH+]1CCC(C)CC1)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000577291569 484111771 /nfs/dbraw/zinc/11/17/71/484111771.db2.gz FAINKMVRYMUQEI-LBPRGKRZSA-N 0 3 358.464 -0.517 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000577295448 484111421 /nfs/dbraw/zinc/11/14/21/484111421.db2.gz WQDDCCNQTQGFJG-BXUZGUMPSA-N 0 3 366.443 -0.713 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000577295450 484111427 /nfs/dbraw/zinc/11/14/27/484111427.db2.gz WQDDCCNQTQGFJG-FZMZJTMJSA-N 0 3 366.443 -0.713 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000577295452 484111858 /nfs/dbraw/zinc/11/18/58/484111858.db2.gz WQDDCCNQTQGFJG-RISCZKNCSA-N 0 3 366.443 -0.713 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000577295455 484111515 /nfs/dbraw/zinc/11/15/15/484111515.db2.gz WQDDCCNQTQGFJG-SMDDNHRTSA-N 0 3 366.443 -0.713 20 0 FBADHN CC(C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000577296596 484169416 /nfs/dbraw/zinc/16/94/16/484169416.db2.gz HDRHZYZGOJEYNV-CHWSQXEVSA-N 0 3 362.434 -0.362 20 0 FBADHN CC(C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000577296597 484169428 /nfs/dbraw/zinc/16/94/28/484169428.db2.gz HDRHZYZGOJEYNV-OLZOCXBDSA-N 0 3 362.434 -0.362 20 0 FBADHN CC(C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000577296598 484169205 /nfs/dbraw/zinc/16/92/05/484169205.db2.gz HDRHZYZGOJEYNV-QWHCGFSZSA-N 0 3 362.434 -0.362 20 0 FBADHN CC(C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000577296599 484169831 /nfs/dbraw/zinc/16/98/31/484169831.db2.gz HDRHZYZGOJEYNV-STQMWFEESA-N 0 3 362.434 -0.362 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc4cc[nH]c43)CCN2C1=O ZINC000577296856 484111652 /nfs/dbraw/zinc/11/16/52/484111652.db2.gz QBJRLINXEIIBRN-KBPBESRZSA-N 0 3 355.398 -0.446 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc4cc[nH]c43)CCN2C1=O ZINC000577296857 484111805 /nfs/dbraw/zinc/11/18/05/484111805.db2.gz QBJRLINXEIIBRN-KGLIPLIRSA-N 0 3 355.398 -0.446 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc4cc[nH]c43)CCN2C1=O ZINC000577296858 484111398 /nfs/dbraw/zinc/11/13/98/484111398.db2.gz QBJRLINXEIIBRN-UONOGXRCSA-N 0 3 355.398 -0.446 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc4cc[nH]c43)CCN2C1=O ZINC000577296859 484111350 /nfs/dbraw/zinc/11/13/50/484111350.db2.gz QBJRLINXEIIBRN-ZIAGYGMSSA-N 0 3 355.398 -0.446 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3c(F)cc(F)cc3F)CCN2C1=O ZINC000577297046 484111604 /nfs/dbraw/zinc/11/16/04/484111604.db2.gz XFDQISJBEHGPRP-GZMMTYOYSA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3c(F)cc(F)cc3F)CCN2C1=O ZINC000577297047 484111206 /nfs/dbraw/zinc/11/12/06/484111206.db2.gz XFDQISJBEHGPRP-KCJUWKMLSA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3c(F)cc(F)cc3F)CCN2C1=O ZINC000577297048 484111334 /nfs/dbraw/zinc/11/13/34/484111334.db2.gz XFDQISJBEHGPRP-KWQFWETISA-N 0 3 356.304 -0.187 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3c(F)cc(F)cc3F)CCN2C1=O ZINC000577297049 484111096 /nfs/dbraw/zinc/11/10/96/484111096.db2.gz XFDQISJBEHGPRP-LDYMZIIASA-N 0 3 356.304 -0.187 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000577298444 484111631 /nfs/dbraw/zinc/11/16/31/484111631.db2.gz NYLFJROQCHKEID-UHFFFAOYSA-N 0 3 364.494 -0.284 20 0 FBADHN COCCN(CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000577302787 484111020 /nfs/dbraw/zinc/11/10/20/484111020.db2.gz FWFBSFBWDBAWAS-INIZCTEOSA-N 0 3 373.519 -0.135 20 0 FBADHN COCCN(CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000577302791 484111574 /nfs/dbraw/zinc/11/15/74/484111574.db2.gz FWFBSFBWDBAWAS-MRXNPFEDSA-N 0 3 373.519 -0.135 20 0 FBADHN CCCCS(=O)(=O)N1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000577305505 484111459 /nfs/dbraw/zinc/11/14/59/484111459.db2.gz WXURASBPVOWROR-GJZGRUSLSA-N 0 3 361.508 -0.038 20 0 FBADHN Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1=O ZINC000577306259 484111276 /nfs/dbraw/zinc/11/12/76/484111276.db2.gz WCLLFJQXFVPLCW-KBPBESRZSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1=O ZINC000577306260 484111057 /nfs/dbraw/zinc/11/10/57/484111057.db2.gz WCLLFJQXFVPLCW-KGLIPLIRSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1=O ZINC000577306261 484111508 /nfs/dbraw/zinc/11/15/08/484111508.db2.gz WCLLFJQXFVPLCW-UONOGXRCSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1=O ZINC000577306262 484113121 /nfs/dbraw/zinc/11/31/21/484113121.db2.gz WCLLFJQXFVPLCW-ZIAGYGMSSA-N 0 3 374.445 -0.662 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000577316722 484113238 /nfs/dbraw/zinc/11/32/38/484113238.db2.gz HYTHWVOIWRCBGD-HNNXBMFYSA-N 0 3 371.478 -0.275 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000577316723 484112970 /nfs/dbraw/zinc/11/29/70/484112970.db2.gz HYTHWVOIWRCBGD-OAHLLOKOSA-N 0 3 371.478 -0.275 20 0 FBADHN COc1cnccc1N1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000577336222 484112953 /nfs/dbraw/zinc/11/29/53/484112953.db2.gz OEILNANJFZZFSL-UHFFFAOYSA-N 0 3 361.446 -0.097 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000577354103 484113397 /nfs/dbraw/zinc/11/33/97/484113397.db2.gz GQTFJZQPCUMIAR-UHFFFAOYSA-N 0 3 368.459 -0.343 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](CN)C1 ZINC000577356018 484113145 /nfs/dbraw/zinc/11/31/45/484113145.db2.gz CSCYEUKBXSAJEI-GDBMZVCRSA-N 0 3 363.437 -0.378 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](CN)C1 ZINC000577356019 484113341 /nfs/dbraw/zinc/11/33/41/484113341.db2.gz CSCYEUKBXSAJEI-GOEBONIOSA-N 0 3 363.437 -0.378 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](CN)C1 ZINC000577356020 484112820 /nfs/dbraw/zinc/11/28/20/484112820.db2.gz CSCYEUKBXSAJEI-HOCLYGCPSA-N 0 3 363.437 -0.378 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](CN)C1 ZINC000577356021 484113200 /nfs/dbraw/zinc/11/32/00/484113200.db2.gz CSCYEUKBXSAJEI-ZBFHGGJFSA-N 0 3 363.437 -0.378 20 0 FBADHN O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(=O)NC1CNC1 ZINC000577356086 484114676 /nfs/dbraw/zinc/11/46/76/484114676.db2.gz OSTZJBODXFSUCY-UHFFFAOYSA-N 0 3 361.398 -0.332 20 0 FBADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000577360271 484114498 /nfs/dbraw/zinc/11/44/98/484114498.db2.gz QPACJODLIXTYJZ-CHWSQXEVSA-N 0 3 370.475 -0.584 20 0 FBADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000577360272 484114386 /nfs/dbraw/zinc/11/43/86/484114386.db2.gz QPACJODLIXTYJZ-OLZOCXBDSA-N 0 3 370.475 -0.584 20 0 FBADHN CCS(=O)(=O)NCCNC[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000577365347 484114552 /nfs/dbraw/zinc/11/45/52/484114552.db2.gz UAYBSMZFIGHQTM-AWEZNQCLSA-N 0 3 359.448 -0.086 20 0 FBADHN CCS(=O)(=O)NCCNC[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000577365376 484113891 /nfs/dbraw/zinc/11/38/91/484113891.db2.gz UAYBSMZFIGHQTM-CQSZACIVSA-N 0 3 359.448 -0.086 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)[C@H](CN)C1 ZINC000577368718 484114146 /nfs/dbraw/zinc/11/41/46/484114146.db2.gz UUJZAJHLBOZZNH-MRVPVSSYSA-N 0 3 365.381 -0.121 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)[C@@H](CN)C1 ZINC000577368731 484114542 /nfs/dbraw/zinc/11/45/42/484114542.db2.gz UUJZAJHLBOZZNH-QMMMGPOBSA-N 0 3 365.381 -0.121 20 0 FBADHN [NH3+]CC[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(F)F ZINC000577372608 484113928 /nfs/dbraw/zinc/11/39/28/484113928.db2.gz HINLMHFPRTYDDI-LURJTMIESA-N 0 3 355.139 -0.190 20 0 FBADHN [NH3+]CC[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(F)F ZINC000577372609 484114211 /nfs/dbraw/zinc/11/42/11/484114211.db2.gz HINLMHFPRTYDDI-ZCFIWIBFSA-N 0 3 355.139 -0.190 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000577376026 484114761 /nfs/dbraw/zinc/11/47/61/484114761.db2.gz SJMAKHIGEWGAOR-CYBMUJFWSA-N 0 3 370.450 -0.390 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000577376027 484114256 /nfs/dbraw/zinc/11/42/56/484114256.db2.gz SJMAKHIGEWGAOR-ZDUSSCGKSA-N 0 3 370.450 -0.390 20 0 FBADHN CC[C@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000577376164 484114529 /nfs/dbraw/zinc/11/45/29/484114529.db2.gz UXVNKTJJTNWKEP-JTQLQIEISA-N 0 3 362.477 -0.484 20 0 FBADHN CC[C@@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000577376165 484114741 /nfs/dbraw/zinc/11/47/41/484114741.db2.gz UXVNKTJJTNWKEP-SNVBAGLBSA-N 0 3 362.477 -0.484 20 0 FBADHN Cc1cnc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000577381681 484114602 /nfs/dbraw/zinc/11/46/02/484114602.db2.gz DFIWUFWEDVXDJG-GHMZBOCLSA-N 0 3 361.445 -0.407 20 0 FBADHN Cc1cnc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc1 ZINC000577381682 484114665 /nfs/dbraw/zinc/11/46/65/484114665.db2.gz DFIWUFWEDVXDJG-MNOVXSKESA-N 0 3 361.445 -0.407 20 0 FBADHN Cc1cnc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc1 ZINC000577381683 484114772 /nfs/dbraw/zinc/11/47/72/484114772.db2.gz DFIWUFWEDVXDJG-QWRGUYRKSA-N 0 3 361.445 -0.407 20 0 FBADHN Cc1cnc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000577381684 484114288 /nfs/dbraw/zinc/11/42/88/484114288.db2.gz DFIWUFWEDVXDJG-WDEREUQCSA-N 0 3 361.445 -0.407 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000577388000 484114364 /nfs/dbraw/zinc/11/43/64/484114364.db2.gz ZNTMOBVWLWAPDD-HNNXBMFYSA-N 0 3 354.432 -0.776 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000577388001 484114516 /nfs/dbraw/zinc/11/45/16/484114516.db2.gz ZNTMOBVWLWAPDD-OAHLLOKOSA-N 0 3 354.432 -0.776 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCN3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388760 484113834 /nfs/dbraw/zinc/11/38/34/484113834.db2.gz MSEPKCGSZYDULZ-CVEARBPZSA-N 0 3 372.473 -0.636 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCN3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388761 484114796 /nfs/dbraw/zinc/11/47/96/484114796.db2.gz MSEPKCGSZYDULZ-HOTGVXAUSA-N 0 3 372.473 -0.636 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388762 484114650 /nfs/dbraw/zinc/11/46/50/484114650.db2.gz MSEPKCGSZYDULZ-HZPDHXFCSA-N 0 3 372.473 -0.636 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCN3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388763 484114196 /nfs/dbraw/zinc/11/41/96/484114196.db2.gz MSEPKCGSZYDULZ-JKSUJKDBSA-N 0 3 372.473 -0.636 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000577389593 484114809 /nfs/dbraw/zinc/11/48/09/484114809.db2.gz GTQYBJJLRKCFLO-LOWDOPEQSA-N 0 3 358.464 -0.704 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000577389594 484114619 /nfs/dbraw/zinc/11/46/19/484114619.db2.gz GTQYBJJLRKCFLO-RVMXOQNASA-N 0 3 358.464 -0.704 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000577389595 484114836 /nfs/dbraw/zinc/11/48/36/484114836.db2.gz GTQYBJJLRKCFLO-UMSGYPCISA-N 0 3 358.464 -0.704 20 0 FBADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000577389596 484114880 /nfs/dbraw/zinc/11/48/80/484114880.db2.gz GTQYBJJLRKCFLO-WUHRBBMRSA-N 0 3 358.464 -0.704 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(F)cc1 ZINC000577389879 484114817 /nfs/dbraw/zinc/11/48/17/484114817.db2.gz XMRJYPNVJUFFPS-BYCMXARLSA-N 0 3 362.405 -0.184 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(F)cc1 ZINC000577389881 484114315 /nfs/dbraw/zinc/11/43/15/484114315.db2.gz XMRJYPNVJUFFPS-DFBGVHRSSA-N 0 3 362.405 -0.184 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(F)cc1 ZINC000577389882 484115431 /nfs/dbraw/zinc/11/54/31/484115431.db2.gz XMRJYPNVJUFFPS-KCPJHIHWSA-N 0 3 362.405 -0.184 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(F)cc1 ZINC000577389884 484115203 /nfs/dbraw/zinc/11/52/03/484115203.db2.gz XMRJYPNVJUFFPS-UGFHNGPFSA-N 0 3 362.405 -0.184 20 0 FBADHN Cc1nc(NCCNc2ccn(C)n2)cc(NCCNc2ccn(C)n2)n1 ZINC000577390569 484116465 /nfs/dbraw/zinc/11/64/65/484116465.db2.gz FBFZGEOTXGWVGA-UHFFFAOYSA-N 0 3 370.465 -0.434 20 0 FBADHN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000577396720 484116488 /nfs/dbraw/zinc/11/64/88/484116488.db2.gz YQTYTSOOWZMIOW-BXUZGUMPSA-N 0 3 353.444 -0.380 20 0 FBADHN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000577396721 484115302 /nfs/dbraw/zinc/11/53/02/484115302.db2.gz YQTYTSOOWZMIOW-FZMZJTMJSA-N 0 3 353.444 -0.380 20 0 FBADHN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000577396723 484116211 /nfs/dbraw/zinc/11/62/11/484116211.db2.gz YQTYTSOOWZMIOW-RISCZKNCSA-N 0 3 353.444 -0.380 20 0 FBADHN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000577396724 484116391 /nfs/dbraw/zinc/11/63/91/484116391.db2.gz YQTYTSOOWZMIOW-SMDDNHRTSA-N 0 3 353.444 -0.380 20 0 FBADHN Nc1nc(C(=O)[N-]c2c[nH+]ccc2-n2ccnc2)nc(N2CCOCC2)n1 ZINC000577401430 484559329 /nfs/dbraw/zinc/55/93/29/484559329.db2.gz GMWHLEZMSZUQDL-UHFFFAOYSA-N 0 3 367.373 0.123 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)NC[C@]1(O)CN2CCC1CC2 ZINC000577413213 484115279 /nfs/dbraw/zinc/11/52/79/484115279.db2.gz SLFWBEWUCFUKIM-INIZCTEOSA-N 0 3 353.444 -0.462 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000577413214 484116439 /nfs/dbraw/zinc/11/64/39/484116439.db2.gz SLFWBEWUCFUKIM-MRXNPFEDSA-N 0 3 353.444 -0.462 20 0 FBADHN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)c2ccn(CCN(C)C)n2)nn1 ZINC000577413617 484116150 /nfs/dbraw/zinc/11/61/50/484116150.db2.gz WMVSTEOFAODMHC-HUUCEWRRSA-N 0 3 363.422 -0.448 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000577423412 484116071 /nfs/dbraw/zinc/11/60/71/484116071.db2.gz IDTJLHHSKROTMU-GXTWGEPZSA-N 0 3 372.491 -0.707 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000577423417 484116086 /nfs/dbraw/zinc/11/60/86/484116086.db2.gz IDTJLHHSKROTMU-JSGCOSHPSA-N 0 3 372.491 -0.707 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000577423419 484115410 /nfs/dbraw/zinc/11/54/10/484115410.db2.gz IDTJLHHSKROTMU-OCCSQVGLSA-N 0 3 372.491 -0.707 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000577423420 484116043 /nfs/dbraw/zinc/11/60/43/484116043.db2.gz IDTJLHHSKROTMU-TZMCWYRMSA-N 0 3 372.491 -0.707 20 0 FBADHN Cn1cc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(=O)n(C)c1=O ZINC000577442823 484117424 /nfs/dbraw/zinc/11/74/24/484117424.db2.gz CVASHRZXJFBMQD-GFCCVEGCSA-N 0 3 370.475 -0.622 20 0 FBADHN Cn1cc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(=O)n(C)c1=O ZINC000577442824 484117050 /nfs/dbraw/zinc/11/70/50/484117050.db2.gz CVASHRZXJFBMQD-LBPRGKRZSA-N 0 3 370.475 -0.622 20 0 FBADHN CN1CCC(O)(CNC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000577447338 484117007 /nfs/dbraw/zinc/11/70/07/484117007.db2.gz FRJJMXOKSODSEE-UHFFFAOYSA-N 0 3 359.423 -0.323 20 0 FBADHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000577449183 484117701 /nfs/dbraw/zinc/11/77/01/484117701.db2.gz ZTWZKGHZYCCOPF-GFCCVEGCSA-N 0 3 364.450 -0.055 20 0 FBADHN COCn1nccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000577453183 484117901 /nfs/dbraw/zinc/11/79/01/484117901.db2.gz FUSDHFZAABLWGI-CYBMUJFWSA-N 0 3 371.463 -0.586 20 0 FBADHN COCn1nccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000577453184 484118068 /nfs/dbraw/zinc/11/80/68/484118068.db2.gz FUSDHFZAABLWGI-ZDUSSCGKSA-N 0 3 371.463 -0.586 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@H]3CCCCN3C3CC3)c2c(=O)n(C)c1=O ZINC000577460345 484117562 /nfs/dbraw/zinc/11/75/62/484117562.db2.gz SYKWZDYECZVCGU-CYBMUJFWSA-N 0 3 374.445 -0.433 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@@H]3CCCCN3C3CC3)c2c(=O)n(C)c1=O ZINC000577460346 484117845 /nfs/dbraw/zinc/11/78/45/484117845.db2.gz SYKWZDYECZVCGU-ZDUSSCGKSA-N 0 3 374.445 -0.433 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000577467663 484117797 /nfs/dbraw/zinc/11/77/97/484117797.db2.gz JPNUBVGYZNCYGU-JKSUJKDBSA-N 0 3 352.479 -0.139 20 0 FBADHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000577473384 484117878 /nfs/dbraw/zinc/11/78/78/484117878.db2.gz HIKQSLBGZOZYPA-GFCCVEGCSA-N 0 3 362.434 -0.625 20 0 FBADHN CC(C)N1CC[C@H](N(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000577473385 484117276 /nfs/dbraw/zinc/11/72/76/484117276.db2.gz HIKQSLBGZOZYPA-LBPRGKRZSA-N 0 3 362.434 -0.625 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)[C@@H](CN)C1 ZINC000577476181 484117402 /nfs/dbraw/zinc/11/74/02/484117402.db2.gz UVSZAIWHYUOTSY-AWEZNQCLSA-N 0 3 374.420 -0.271 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)[C@H](CN)C1 ZINC000577476182 484117179 /nfs/dbraw/zinc/11/71/79/484117179.db2.gz UVSZAIWHYUOTSY-CQSZACIVSA-N 0 3 374.420 -0.271 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)cc1 ZINC000577476215 484118008 /nfs/dbraw/zinc/11/80/08/484118008.db2.gz ZKBDVXPMUSEJME-CABCVRRESA-N 0 3 352.410 -0.269 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(F)cc1 ZINC000577476222 484117575 /nfs/dbraw/zinc/11/75/75/484117575.db2.gz ZKBDVXPMUSEJME-GJZGRUSLSA-N 0 3 352.410 -0.269 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)cc1 ZINC000577476223 484117296 /nfs/dbraw/zinc/11/72/96/484117296.db2.gz ZKBDVXPMUSEJME-HUUCEWRRSA-N 0 3 352.410 -0.269 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(F)cc1 ZINC000577476224 484118157 /nfs/dbraw/zinc/11/81/57/484118157.db2.gz ZKBDVXPMUSEJME-LSDHHAIUSA-N 0 3 352.410 -0.269 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000577476231 484117522 /nfs/dbraw/zinc/11/75/22/484117522.db2.gz DSPCGHLOHYQMRP-INIZCTEOSA-N 0 3 371.441 -0.976 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000577476232 484118185 /nfs/dbraw/zinc/11/81/85/484118185.db2.gz DSPCGHLOHYQMRP-MRXNPFEDSA-N 0 3 371.441 -0.976 20 0 FBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO2 ZINC000577477639 484118273 /nfs/dbraw/zinc/11/82/73/484118273.db2.gz PGELYMQWPNOXRD-CRAIPNDOSA-N 0 3 370.494 -0.655 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO2 ZINC000577477640 484118085 /nfs/dbraw/zinc/11/80/85/484118085.db2.gz PGELYMQWPNOXRD-MAUKXSAKSA-N 0 3 370.494 -0.655 20 0 FBADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO2 ZINC000577477641 484116946 /nfs/dbraw/zinc/11/69/46/484116946.db2.gz PGELYMQWPNOXRD-QAPCUYQASA-N 0 3 370.494 -0.655 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO2 ZINC000577477642 484117712 /nfs/dbraw/zinc/11/77/12/484117712.db2.gz PGELYMQWPNOXRD-YJBOKZPZSA-N 0 3 370.494 -0.655 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000577477832 484117919 /nfs/dbraw/zinc/11/79/19/484117919.db2.gz HJYUTDRZVOPYMB-BZUAXINKSA-N 0 3 350.463 -0.385 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000577477833 484117216 /nfs/dbraw/zinc/11/72/16/484117216.db2.gz HJYUTDRZVOPYMB-OAGGEKHMSA-N 0 3 350.463 -0.385 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000577477834 484117820 /nfs/dbraw/zinc/11/78/20/484117820.db2.gz HJYUTDRZVOPYMB-OWCLPIDISA-N 0 3 350.463 -0.385 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000577477835 484117963 /nfs/dbraw/zinc/11/79/63/484117963.db2.gz HJYUTDRZVOPYMB-PMPSAXMXSA-N 0 3 350.463 -0.385 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000577477915 484117474 /nfs/dbraw/zinc/11/74/74/484117474.db2.gz VYFSRASRMAUEQZ-HZMVEIRTSA-N 0 3 366.506 -0.015 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000577477916 484117683 /nfs/dbraw/zinc/11/76/83/484117683.db2.gz VYFSRASRMAUEQZ-NXOAAHMSSA-N 0 3 366.506 -0.015 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000577477917 484117757 /nfs/dbraw/zinc/11/77/57/484117757.db2.gz VYFSRASRMAUEQZ-TWMKSMIVSA-N 0 3 366.506 -0.015 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000577477918 484119561 /nfs/dbraw/zinc/11/95/61/484119561.db2.gz VYFSRASRMAUEQZ-VQHPVUNQSA-N 0 3 366.506 -0.015 20 0 FBADHN Cn1cc(-c2ccccc2CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cn1 ZINC000577486979 484119367 /nfs/dbraw/zinc/11/93/67/484119367.db2.gz ZAQNCAKTVPTVFI-INIZCTEOSA-N 0 3 370.457 -0.195 20 0 FBADHN Cn1cc(-c2ccccc2CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cn1 ZINC000577486981 484118697 /nfs/dbraw/zinc/11/86/97/484118697.db2.gz ZAQNCAKTVPTVFI-MRXNPFEDSA-N 0 3 370.457 -0.195 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCO1 ZINC000577492225 484119613 /nfs/dbraw/zinc/11/96/13/484119613.db2.gz FGXOZDJTXQHUMJ-CABCVRRESA-N 0 3 360.414 -0.956 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCO1 ZINC000577492227 484119315 /nfs/dbraw/zinc/11/93/15/484119315.db2.gz FGXOZDJTXQHUMJ-GJZGRUSLSA-N 0 3 360.414 -0.956 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCO1 ZINC000577492228 484119092 /nfs/dbraw/zinc/11/90/92/484119092.db2.gz FGXOZDJTXQHUMJ-HUUCEWRRSA-N 0 3 360.414 -0.956 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCO1 ZINC000577492230 484119441 /nfs/dbraw/zinc/11/94/41/484119441.db2.gz FGXOZDJTXQHUMJ-LSDHHAIUSA-N 0 3 360.414 -0.956 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CCCO1 ZINC000577494340 484118864 /nfs/dbraw/zinc/11/88/64/484118864.db2.gz VTCOTVGETILICP-FXUDXRNXSA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CCCO1 ZINC000577494342 484119495 /nfs/dbraw/zinc/11/94/95/484119495.db2.gz VTCOTVGETILICP-QKPAOTATSA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCCO1 ZINC000577494343 484118631 /nfs/dbraw/zinc/11/86/31/484118631.db2.gz VTCOTVGETILICP-QXSJWSMHSA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CCCO1 ZINC000577494344 484119328 /nfs/dbraw/zinc/11/93/28/484119328.db2.gz VTCOTVGETILICP-UGUYLWEFSA-N 0 3 353.463 -0.167 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000577498127 484119467 /nfs/dbraw/zinc/11/94/67/484119467.db2.gz LCGKPSZVULLSCJ-UHFFFAOYSA-N 0 3 365.434 -0.682 20 0 FBADHN CCOc1cccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000577508888 484119697 /nfs/dbraw/zinc/11/96/97/484119697.db2.gz NCAFPMVSPLRRKM-GDBMZVCRSA-N 0 3 374.441 -0.486 20 0 FBADHN CCOc1cccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000577508897 484119305 /nfs/dbraw/zinc/11/93/05/484119305.db2.gz NCAFPMVSPLRRKM-GOEBONIOSA-N 0 3 374.441 -0.486 20 0 FBADHN CCOc1cccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000577508898 484119642 /nfs/dbraw/zinc/11/96/42/484119642.db2.gz NCAFPMVSPLRRKM-HOCLYGCPSA-N 0 3 374.441 -0.486 20 0 FBADHN CCOc1cccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000577508899 484119380 /nfs/dbraw/zinc/11/93/80/484119380.db2.gz NCAFPMVSPLRRKM-ZBFHGGJFSA-N 0 3 374.441 -0.486 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000577510230 484119660 /nfs/dbraw/zinc/11/96/60/484119660.db2.gz QSGSNOKAMCKKPS-DZGCQCFKSA-N 0 3 368.478 -0.142 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000577510231 484119432 /nfs/dbraw/zinc/11/94/32/484119432.db2.gz QSGSNOKAMCKKPS-HIFRSBDPSA-N 0 3 368.478 -0.142 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000577510232 484118669 /nfs/dbraw/zinc/11/86/69/484118669.db2.gz QSGSNOKAMCKKPS-UKRRQHHQSA-N 0 3 368.478 -0.142 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000577510233 484120842 /nfs/dbraw/zinc/12/08/42/484120842.db2.gz QSGSNOKAMCKKPS-ZFWWWQNUSA-N 0 3 368.478 -0.142 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000577513804 484120694 /nfs/dbraw/zinc/12/06/94/484120694.db2.gz YPJGTWRRXJTYNG-AWEZNQCLSA-N 0 3 351.428 -0.672 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000577513805 484120867 /nfs/dbraw/zinc/12/08/67/484120867.db2.gz YPJGTWRRXJTYNG-CQSZACIVSA-N 0 3 351.428 -0.672 20 0 FBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000577515773 484120547 /nfs/dbraw/zinc/12/05/47/484120547.db2.gz WPALDGVSMWAJTQ-CYBMUJFWSA-N 0 3 360.480 -0.875 20 0 FBADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000577515774 484120901 /nfs/dbraw/zinc/12/09/01/484120901.db2.gz WPALDGVSMWAJTQ-ZDUSSCGKSA-N 0 3 360.480 -0.875 20 0 FBADHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)nn1 ZINC000577530805 484120661 /nfs/dbraw/zinc/12/06/61/484120661.db2.gz RLTBGZFBZCUYMG-KKUMJFAQSA-N 0 3 373.461 -0.293 20 0 FBADHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)nn1 ZINC000577530806 484120445 /nfs/dbraw/zinc/12/04/45/484120445.db2.gz RLTBGZFBZCUYMG-RRFJBIMHSA-N 0 3 373.461 -0.293 20 0 FBADHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)nn1 ZINC000577530807 484120221 /nfs/dbraw/zinc/12/02/21/484120221.db2.gz RLTBGZFBZCUYMG-SOUVJXGZSA-N 0 3 373.461 -0.293 20 0 FBADHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)nn1 ZINC000577530808 484120962 /nfs/dbraw/zinc/12/09/62/484120962.db2.gz RLTBGZFBZCUYMG-ZNMIVQPWSA-N 0 3 373.461 -0.293 20 0 FBADHN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000577531707 484120532 /nfs/dbraw/zinc/12/05/32/484120532.db2.gz ZBSHOQJYPNJLNV-FRRDWIJNSA-N 0 3 354.476 -0.152 20 0 FBADHN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000577531709 484120580 /nfs/dbraw/zinc/12/05/80/484120580.db2.gz ZBSHOQJYPNJLNV-JHJVBQTASA-N 0 3 354.476 -0.152 20 0 FBADHN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000577531711 484120975 /nfs/dbraw/zinc/12/09/75/484120975.db2.gz ZBSHOQJYPNJLNV-RWMBFGLXSA-N 0 3 354.476 -0.152 20 0 FBADHN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000577531712 484120827 /nfs/dbraw/zinc/12/08/27/484120827.db2.gz ZBSHOQJYPNJLNV-YNEHKIRRSA-N 0 3 354.476 -0.152 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000577536972 484121525 /nfs/dbraw/zinc/12/15/25/484121525.db2.gz XGSNYMSCGYDLRI-HNNXBMFYSA-N 0 3 365.478 -0.103 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000577536973 484122012 /nfs/dbraw/zinc/12/20/12/484122012.db2.gz XGSNYMSCGYDLRI-OAHLLOKOSA-N 0 3 365.478 -0.103 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000577540038 484122049 /nfs/dbraw/zinc/12/20/49/484122049.db2.gz BXBBNCOVZNKIAZ-BRWVUGGUSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000577540039 484121578 /nfs/dbraw/zinc/12/15/78/484121578.db2.gz BXBBNCOVZNKIAZ-IKGGRYGDSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000577540040 484122532 /nfs/dbraw/zinc/12/25/32/484122532.db2.gz BXBBNCOVZNKIAZ-IXDOHACOSA-N 0 3 368.522 -0.004 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000577540041 484121935 /nfs/dbraw/zinc/12/19/35/484121935.db2.gz BXBBNCOVZNKIAZ-ZACQAIPSSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C2CCC2)CC1)CN1CCN(C)CC1 ZINC000577540374 484122437 /nfs/dbraw/zinc/12/24/37/484122437.db2.gz SRXKEMDGWVDCAP-INIZCTEOSA-N 0 3 365.522 -0.317 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C2CCC2)CC1)CN1CCN(C)CC1 ZINC000577540375 484122274 /nfs/dbraw/zinc/12/22/74/484122274.db2.gz SRXKEMDGWVDCAP-MRXNPFEDSA-N 0 3 365.522 -0.317 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCSC2)CC1 ZINC000577555739 484122083 /nfs/dbraw/zinc/12/20/83/484122083.db2.gz RTRWZBDKQGIKTC-AWEZNQCLSA-N 0 3 368.503 -0.378 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCSC2)CC1 ZINC000577555740 484122413 /nfs/dbraw/zinc/12/24/13/484122413.db2.gz RTRWZBDKQGIKTC-CQSZACIVSA-N 0 3 368.503 -0.378 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000577561204 484121504 /nfs/dbraw/zinc/12/15/04/484121504.db2.gz DVACWNRJQITZPR-CHWSQXEVSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000577561205 484121548 /nfs/dbraw/zinc/12/15/48/484121548.db2.gz DVACWNRJQITZPR-QWHCGFSZSA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000577570397 484121640 /nfs/dbraw/zinc/12/16/40/484121640.db2.gz VYICGVSQQXYVBS-GFCCVEGCSA-N 0 3 362.434 -0.718 20 0 FBADHN C[C@H]1CCN(CCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000577570398 484121660 /nfs/dbraw/zinc/12/16/60/484121660.db2.gz VYICGVSQQXYVBS-LBPRGKRZSA-N 0 3 362.434 -0.718 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000577574646 661735537 /nfs/dbraw/zinc/73/55/37/661735537.db2.gz KMUPTSSDUYXECR-LLVKDONJSA-N 0 3 354.432 -0.270 20 0 FBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000577574647 661735410 /nfs/dbraw/zinc/73/54/10/661735410.db2.gz KMUPTSSDUYXECR-NSHDSACASA-N 0 3 354.432 -0.270 20 0 FBADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NC1CNC1 ZINC000577590353 484124074 /nfs/dbraw/zinc/12/40/74/484124074.db2.gz LWOYZDDPPYEPTI-UHFFFAOYSA-N 0 3 361.446 -0.136 20 0 FBADHN NS(=O)(=O)CCOCCNC(=O)CCN1CCc2ccccc2C1 ZINC000577591705 484124510 /nfs/dbraw/zinc/12/45/10/484124510.db2.gz YAXMTGNQUHFWGS-UHFFFAOYSA-N 0 3 355.460 -0.144 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)[C@@H](CN)C1 ZINC000577593585 484124139 /nfs/dbraw/zinc/12/41/39/484124139.db2.gz JGGVWLUTIGEDTE-INIZCTEOSA-N 0 3 374.489 -0.211 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)[C@H](CN)C1 ZINC000577593586 484124680 /nfs/dbraw/zinc/12/46/80/484124680.db2.gz JGGVWLUTIGEDTE-MRXNPFEDSA-N 0 3 374.489 -0.211 20 0 FBADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000577594013 484123951 /nfs/dbraw/zinc/12/39/51/484123951.db2.gz ZWHLUARTMHIEFB-AWEZNQCLSA-N 0 3 358.446 -0.438 20 0 FBADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000577594014 484124238 /nfs/dbraw/zinc/12/42/38/484124238.db2.gz ZWHLUARTMHIEFB-CQSZACIVSA-N 0 3 358.446 -0.438 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCN1CC(C)(C)O ZINC000577597333 484123583 /nfs/dbraw/zinc/12/35/83/484123583.db2.gz JTFHMUBMBYBUFJ-CVEARBPZSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCN1CC(C)(C)O ZINC000577597334 484123420 /nfs/dbraw/zinc/12/34/20/484123420.db2.gz JTFHMUBMBYBUFJ-HOTGVXAUSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCN1CC(C)(C)O ZINC000577597335 484124017 /nfs/dbraw/zinc/12/40/17/484124017.db2.gz JTFHMUBMBYBUFJ-HZPDHXFCSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCN1CC(C)(C)O ZINC000577597336 484123120 /nfs/dbraw/zinc/12/31/20/484123120.db2.gz JTFHMUBMBYBUFJ-JKSUJKDBSA-N 0 3 366.506 -0.013 20 0 FBADHN Cn1ccnc1[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CCN1C ZINC000577597997 484123776 /nfs/dbraw/zinc/12/37/76/484123776.db2.gz FZTMHPGFXVWREB-ILXRZTDVSA-N 0 3 360.462 -0.602 20 0 FBADHN Cn1ccnc1[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CCN1C ZINC000577597998 484123670 /nfs/dbraw/zinc/12/36/70/484123670.db2.gz FZTMHPGFXVWREB-QLFBSQMISA-N 0 3 360.462 -0.602 20 0 FBADHN CC(=O)N[C@H]1CCN(C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000577599074 484123438 /nfs/dbraw/zinc/12/34/38/484123438.db2.gz QHBVAIVZAMYJMT-HNNXBMFYSA-N 0 3 353.467 -0.101 20 0 FBADHN CC(=O)N[C@@H]1CCN(C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000577599075 484123852 /nfs/dbraw/zinc/12/38/52/484123852.db2.gz QHBVAIVZAMYJMT-OAHLLOKOSA-N 0 3 353.467 -0.101 20 0 FBADHN O=C(CNC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)N1CCNCC1 ZINC000577605756 484123043 /nfs/dbraw/zinc/12/30/43/484123043.db2.gz QQHJOCADJIZDTK-UHFFFAOYSA-N 0 3 361.381 -0.158 20 0 FBADHN O=C(CNC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)N1CCNCC1 ZINC000577605756 484123038 /nfs/dbraw/zinc/12/30/38/484123038.db2.gz QQHJOCADJIZDTK-UHFFFAOYSA-N 0 3 361.381 -0.158 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(Cn3cccn3)c2)[C@@H](CN)C1 ZINC000577607103 484123734 /nfs/dbraw/zinc/12/37/34/484123734.db2.gz NVJFPBRDLPVAGW-KRWDZBQOSA-N 0 3 370.457 -0.351 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc(Cn3cccn3)c2)[C@H](CN)C1 ZINC000577607104 484123084 /nfs/dbraw/zinc/12/30/84/484123084.db2.gz NVJFPBRDLPVAGW-QGZVFWFLSA-N 0 3 370.457 -0.351 20 0 FBADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1=O ZINC000577612774 484123625 /nfs/dbraw/zinc/12/36/25/484123625.db2.gz PWQIYKAZZVWONQ-CABCVRRESA-N 0 3 360.462 -0.583 20 0 FBADHN Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1=O ZINC000577612775 484124559 /nfs/dbraw/zinc/12/45/59/484124559.db2.gz PWQIYKAZZVWONQ-GJZGRUSLSA-N 0 3 360.462 -0.583 20 0 FBADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C1=O ZINC000577612776 484123889 /nfs/dbraw/zinc/12/38/89/484123889.db2.gz PWQIYKAZZVWONQ-HUUCEWRRSA-N 0 3 360.462 -0.583 20 0 FBADHN Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1=O ZINC000577612777 484125343 /nfs/dbraw/zinc/12/53/43/484125343.db2.gz PWQIYKAZZVWONQ-LSDHHAIUSA-N 0 3 360.462 -0.583 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000577619217 484125059 /nfs/dbraw/zinc/12/50/59/484125059.db2.gz KIXFMAOIPQKBAP-CHWSQXEVSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000577619218 484126196 /nfs/dbraw/zinc/12/61/96/484126196.db2.gz KIXFMAOIPQKBAP-OLZOCXBDSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000577619219 484126448 /nfs/dbraw/zinc/12/64/48/484126448.db2.gz KIXFMAOIPQKBAP-QWHCGFSZSA-N 0 3 360.480 -0.840 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000577619220 484125812 /nfs/dbraw/zinc/12/58/12/484125812.db2.gz KIXFMAOIPQKBAP-STQMWFEESA-N 0 3 360.480 -0.840 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H](C)CCN3)CC2)cn1C ZINC000577620671 484126480 /nfs/dbraw/zinc/12/64/80/484126480.db2.gz GDJXQTNTIPEMGG-GXTWGEPZSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H](C)CCN3)CC2)cn1C ZINC000577620672 484126354 /nfs/dbraw/zinc/12/63/54/484126354.db2.gz GDJXQTNTIPEMGG-JSGCOSHPSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H](C)CCN3)CC2)cn1C ZINC000577620673 484125015 /nfs/dbraw/zinc/12/50/15/484125015.db2.gz GDJXQTNTIPEMGG-OCCSQVGLSA-N 0 3 369.491 -0.050 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H](C)CCN3)CC2)cn1C ZINC000577620674 484125720 /nfs/dbraw/zinc/12/57/20/484125720.db2.gz GDJXQTNTIPEMGG-TZMCWYRMSA-N 0 3 369.491 -0.050 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)C[C@H]2N)cn1 ZINC000577620995 484124988 /nfs/dbraw/zinc/12/49/88/484124988.db2.gz WQBAVMQXYWXHLM-JKSUJKDBSA-N 0 3 352.402 -0.108 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000577622705 484126412 /nfs/dbraw/zinc/12/64/12/484126412.db2.gz OLJXSFDHALBDDF-JAJHDGGNSA-N 0 3 365.478 -0.201 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000577622706 484125972 /nfs/dbraw/zinc/12/59/72/484125972.db2.gz OLJXSFDHALBDDF-RZXDWDHASA-N 0 3 365.478 -0.201 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000577622707 484125278 /nfs/dbraw/zinc/12/52/78/484125278.db2.gz OLJXSFDHALBDDF-UHOVARLQSA-N 0 3 365.478 -0.201 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000577622708 484125649 /nfs/dbraw/zinc/12/56/49/484125649.db2.gz OLJXSFDHALBDDF-YNDDDKNDSA-N 0 3 365.478 -0.201 20 0 FBADHN CCNS(=O)(=O)c1ccc(CNC[C@H](O)CN2CCOCC2)cc1 ZINC000577622839 484125537 /nfs/dbraw/zinc/12/55/37/484125537.db2.gz SVULGJRXWIKDJP-HNNXBMFYSA-N 0 3 357.476 -0.233 20 0 FBADHN CCNS(=O)(=O)c1ccc(CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000577622840 484125896 /nfs/dbraw/zinc/12/58/96/484125896.db2.gz SVULGJRXWIKDJP-OAHLLOKOSA-N 0 3 357.476 -0.233 20 0 FBADHN COCCOCC(=O)NC1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000577623883 484126113 /nfs/dbraw/zinc/12/61/13/484126113.db2.gz BMXFZVLVUGPXDX-CKUJCDMFSA-N 0 3 371.478 -0.542 20 0 FBADHN CCN1CCN(c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)CC1 ZINC000577624952 484126517 /nfs/dbraw/zinc/12/65/17/484126517.db2.gz ZLZWLCRIVKLKAG-HZPDHXFCSA-N 0 3 367.471 -0.284 20 0 FBADHN CN1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H](C[NH3+])C1 ZINC000577630702 484126150 /nfs/dbraw/zinc/12/61/50/484126150.db2.gz VSWNXLHWQHVODB-SECBINFHSA-N 0 3 366.896 -0.219 20 0 FBADHN CN1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H](C[NH3+])C1 ZINC000577630703 484125233 /nfs/dbraw/zinc/12/52/33/484125233.db2.gz VSWNXLHWQHVODB-VIFPVBQESA-N 0 3 366.896 -0.219 20 0 FBADHN COCCNCCNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000577635002 484126955 /nfs/dbraw/zinc/12/69/55/484126955.db2.gz LQLCGZNBXWANOJ-UHFFFAOYSA-N 0 3 357.432 -0.480 20 0 FBADHN COCCNCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000577635228 484126853 /nfs/dbraw/zinc/12/68/53/484126853.db2.gz ZYECKUXGHFVICY-HNNXBMFYSA-N 0 3 356.467 -0.948 20 0 FBADHN COCCNCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000577635230 484127932 /nfs/dbraw/zinc/12/79/32/484127932.db2.gz ZYECKUXGHFVICY-OAHLLOKOSA-N 0 3 356.467 -0.948 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000577645380 484126928 /nfs/dbraw/zinc/12/69/28/484126928.db2.gz ZKUPTRSSRWEEJS-UHFFFAOYSA-N 0 3 363.443 -0.063 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1N(C)C ZINC000577651969 484128078 /nfs/dbraw/zinc/12/80/78/484128078.db2.gz XSXCYTRIKWOGLF-GXTWGEPZSA-N 0 3 352.460 -0.006 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1N(C)C ZINC000577651970 484127552 /nfs/dbraw/zinc/12/75/52/484127552.db2.gz XSXCYTRIKWOGLF-JSGCOSHPSA-N 0 3 352.460 -0.006 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1N(C)C ZINC000577651971 484127533 /nfs/dbraw/zinc/12/75/33/484127533.db2.gz XSXCYTRIKWOGLF-OCCSQVGLSA-N 0 3 352.460 -0.006 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1N(C)C ZINC000577651972 484128111 /nfs/dbraw/zinc/12/81/11/484128111.db2.gz XSXCYTRIKWOGLF-TZMCWYRMSA-N 0 3 352.460 -0.006 20 0 FBADHN CC1(C)NC(=O)N(CC(=O)NCC(=O)NCCN2CCCCCC2)C1=O ZINC000577667534 484127333 /nfs/dbraw/zinc/12/73/33/484127333.db2.gz USOIVENPWNMLCY-UHFFFAOYSA-N 0 3 367.450 -0.575 20 0 FBADHN COCCCN1CCC(NC(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000577670527 484128709 /nfs/dbraw/zinc/12/87/09/484128709.db2.gz STMSPNJFRWIMDZ-UHFFFAOYSA-N 0 3 350.485 -0.322 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000577671268 484129788 /nfs/dbraw/zinc/12/97/88/484129788.db2.gz YMHRQIYKRLSPJU-CVEARBPZSA-N 0 3 358.508 -0.440 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000577671269 484129347 /nfs/dbraw/zinc/12/93/47/484129347.db2.gz YMHRQIYKRLSPJU-HOTGVXAUSA-N 0 3 358.508 -0.440 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000577671270 484129686 /nfs/dbraw/zinc/12/96/86/484129686.db2.gz YMHRQIYKRLSPJU-HZPDHXFCSA-N 0 3 358.508 -0.440 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000577671271 484129725 /nfs/dbraw/zinc/12/97/25/484129725.db2.gz YMHRQIYKRLSPJU-JKSUJKDBSA-N 0 3 358.508 -0.440 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000577680582 484129873 /nfs/dbraw/zinc/12/98/73/484129873.db2.gz IMJWSZJPWQQEOA-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NCCNC(=O)c3cnccn3)n2)CC1 ZINC000577692984 484139112 /nfs/dbraw/zinc/13/91/12/484139112.db2.gz BDAHYIUYNLGCKA-UHFFFAOYSA-N 0 3 372.433 0.491 20 0 FBADHN O=C(CN1CCCC1)N1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000577693949 484129830 /nfs/dbraw/zinc/12/98/30/484129830.db2.gz SEVACBIKPFFFKZ-UHFFFAOYSA-N 0 3 361.372 -0.025 20 0 FBADHN CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC2C[NH2+]C2)ccc1F ZINC000577709968 484129410 /nfs/dbraw/zinc/12/94/10/484129410.db2.gz ZDHNNPPGSZRKDB-UHFFFAOYSA-N 0 3 372.422 -0.071 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c(OC)c1 ZINC000577713578 484129459 /nfs/dbraw/zinc/12/94/59/484129459.db2.gz HPCOVEGMZKFHPO-CYBMUJFWSA-N 0 3 350.419 -0.579 20 0 FBADHN COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c(OC)c1 ZINC000577713579 484128728 /nfs/dbraw/zinc/12/87/28/484128728.db2.gz HPCOVEGMZKFHPO-ZDUSSCGKSA-N 0 3 350.419 -0.579 20 0 FBADHN C[C@@H](CO)N(C)C(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000577730280 484130822 /nfs/dbraw/zinc/13/08/22/484130822.db2.gz LQENIMFINPFGOG-ZDUSSCGKSA-N 0 3 364.446 -0.567 20 0 FBADHN O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCN1CC[NH2+]CC1 ZINC000577730826 484130458 /nfs/dbraw/zinc/13/04/58/484130458.db2.gz WWLZLGCPWKLEAN-UHFFFAOYSA-N 0 3 360.505 -0.172 20 0 FBADHN COCCN(C)CCNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000577760869 484133190 /nfs/dbraw/zinc/13/31/90/484133190.db2.gz VLCXQRPBILSPMI-OAHLLOKOSA-N 0 3 370.494 -0.608 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCOc2cccc(F)c2)n1 ZINC000577762162 484131949 /nfs/dbraw/zinc/13/19/49/484131949.db2.gz FFYYSJVIQCRSRH-UHFFFAOYSA-N 0 3 350.398 -0.008 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000577769688 484132634 /nfs/dbraw/zinc/13/26/34/484132634.db2.gz TXHLIAHSJUNPGA-CMPLNLGQSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000577769689 484132706 /nfs/dbraw/zinc/13/27/06/484132706.db2.gz TXHLIAHSJUNPGA-JQWIXIFHSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000577769690 484132125 /nfs/dbraw/zinc/13/21/25/484132125.db2.gz TXHLIAHSJUNPGA-PWSUYJOCSA-N 0 3 355.416 -0.364 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000577769691 484133144 /nfs/dbraw/zinc/13/31/44/484133144.db2.gz TXHLIAHSJUNPGA-ZYHUDNBSSA-N 0 3 355.416 -0.364 20 0 FBADHN CCOc1ccccc1C(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000577769788 484132863 /nfs/dbraw/zinc/13/28/63/484132863.db2.gz WNLPJVZUJCBIAZ-GXTWGEPZSA-N 0 3 360.414 -0.415 20 0 FBADHN CCOc1ccccc1C(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000577769789 484132260 /nfs/dbraw/zinc/13/22/60/484132260.db2.gz WNLPJVZUJCBIAZ-JSGCOSHPSA-N 0 3 360.414 -0.415 20 0 FBADHN CCOc1ccccc1C(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000577769790 484132796 /nfs/dbraw/zinc/13/27/96/484132796.db2.gz WNLPJVZUJCBIAZ-OCCSQVGLSA-N 0 3 360.414 -0.415 20 0 FBADHN CCOc1ccccc1C(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000577769791 484132664 /nfs/dbraw/zinc/13/26/64/484132664.db2.gz WNLPJVZUJCBIAZ-TZMCWYRMSA-N 0 3 360.414 -0.415 20 0 FBADHN CNC(=O)c1ccc(CNC(=O)C(=O)NCCOCCN(C)C)cc1 ZINC000577775700 484132606 /nfs/dbraw/zinc/13/26/06/484132606.db2.gz OUYQHRAZSPAWEL-UHFFFAOYSA-N 0 3 350.419 -0.643 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000577776818 484132855 /nfs/dbraw/zinc/13/28/55/484132855.db2.gz OKWTVQBXHSLLSS-UHFFFAOYSA-N 0 3 351.495 -0.563 20 0 FBADHN CSC1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000577779478 484132887 /nfs/dbraw/zinc/13/28/87/484132887.db2.gz WRHOWAMIFPYYAS-CYBMUJFWSA-N 0 3 368.503 -0.237 20 0 FBADHN CSC1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000577779479 484132992 /nfs/dbraw/zinc/13/29/92/484132992.db2.gz WRHOWAMIFPYYAS-ZDUSSCGKSA-N 0 3 368.503 -0.237 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000577780460 484132464 /nfs/dbraw/zinc/13/24/64/484132464.db2.gz BRYQMZXFEZGMBB-UHFFFAOYSA-N 0 3 355.460 -0.133 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000577787902 484132775 /nfs/dbraw/zinc/13/27/75/484132775.db2.gz JSMUXDUTLLRNAN-UHFFFAOYSA-N 0 3 356.492 -0.083 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000577789255 484132282 /nfs/dbraw/zinc/13/22/82/484132282.db2.gz NKBXIUVNNIQTIW-INIZCTEOSA-N 0 3 369.443 -0.650 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000577789256 484132961 /nfs/dbraw/zinc/13/29/61/484132961.db2.gz NKBXIUVNNIQTIW-MRXNPFEDSA-N 0 3 369.443 -0.650 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCn3ncnc3C2)ccn1 ZINC000577795028 484132015 /nfs/dbraw/zinc/13/20/15/484132015.db2.gz SFVJLEJCNRQZAX-UHFFFAOYSA-N 0 3 373.417 -0.728 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000577833423 484133794 /nfs/dbraw/zinc/13/37/94/484133794.db2.gz MEAKBICKIHOGSS-UHFFFAOYSA-N 0 3 366.849 -0.049 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C[C@@H]21 ZINC000577833989 484134759 /nfs/dbraw/zinc/13/47/59/484134759.db2.gz BSVUWTNXJCXJBI-KGLIPLIRSA-N 0 3 350.463 -0.134 20 0 FBADHN CN(CCNC[C@@H](O)CN1CCOCC1)S(=O)(=O)c1cccs1 ZINC000577842137 484133887 /nfs/dbraw/zinc/13/38/87/484133887.db2.gz KFHBGCWMKDCMMT-CYBMUJFWSA-N 0 3 363.505 -0.349 20 0 FBADHN CN(CCNC[C@H](O)CN1CCOCC1)S(=O)(=O)c1cccs1 ZINC000577842138 484134355 /nfs/dbraw/zinc/13/43/55/484134355.db2.gz KFHBGCWMKDCMMT-ZDUSSCGKSA-N 0 3 363.505 -0.349 20 0 FBADHN CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H](N)CC(=O)OC)CC2)CC1 ZINC000577845926 484136201 /nfs/dbraw/zinc/13/62/01/484136201.db2.gz NYYYXBKZHVACDR-HNNXBMFYSA-N 0 3 368.478 -0.330 20 0 FBADHN CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000577855954 484136437 /nfs/dbraw/zinc/13/64/37/484136437.db2.gz GROZOCHPVFOPAR-ZDUSSCGKSA-N 0 3 363.418 -0.737 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)CC1=O ZINC000577861075 484136266 /nfs/dbraw/zinc/13/62/66/484136266.db2.gz WDUBAAAUEHBCQP-HNNXBMFYSA-N 0 3 374.445 -0.123 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc3c(cnn3C)c2)CC1=O ZINC000577861076 484136223 /nfs/dbraw/zinc/13/62/23/484136223.db2.gz WDUBAAAUEHBCQP-OAHLLOKOSA-N 0 3 374.445 -0.123 20 0 FBADHN C[C@@]1(c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)cc2)NC(=O)[N-]C1=O ZINC000577863874 484136178 /nfs/dbraw/zinc/13/61/78/484136178.db2.gz SSXLUMOAVFIJNE-KRWDZBQOSA-N 0 3 371.401 -0.389 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CCN2C1=O ZINC000577866815 484136522 /nfs/dbraw/zinc/13/65/22/484136522.db2.gz FGEKYQREVKEGHN-AAVRWANBSA-N 0 3 362.430 -0.678 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CCN2C1=O ZINC000577866816 484135904 /nfs/dbraw/zinc/13/59/04/484135904.db2.gz FGEKYQREVKEGHN-IGQOVBAYSA-N 0 3 362.430 -0.678 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CCN2C1=O ZINC000577866817 484135653 /nfs/dbraw/zinc/13/56/53/484135653.db2.gz FGEKYQREVKEGHN-YIYPIFLZSA-N 0 3 362.430 -0.678 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CCN2C1=O ZINC000577866818 484135236 /nfs/dbraw/zinc/13/52/36/484135236.db2.gz FGEKYQREVKEGHN-ZOBORPQBSA-N 0 3 362.430 -0.678 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000577866927 484136373 /nfs/dbraw/zinc/13/63/73/484136373.db2.gz JNMUBEPXTDLQCU-CMPLNLGQSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000577866928 484136633 /nfs/dbraw/zinc/13/66/33/484136633.db2.gz JNMUBEPXTDLQCU-JQWIXIFHSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000577866929 484135668 /nfs/dbraw/zinc/13/56/68/484135668.db2.gz JNMUBEPXTDLQCU-PWSUYJOCSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000577866930 484136280 /nfs/dbraw/zinc/13/62/80/484136280.db2.gz JNMUBEPXTDLQCU-ZYHUDNBSSA-N 0 3 368.340 -0.003 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000577867187 484135920 /nfs/dbraw/zinc/13/59/20/484135920.db2.gz QTOFBZFVCQTYEJ-BXUZGUMPSA-N 0 3 356.382 -0.557 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000577867188 484135574 /nfs/dbraw/zinc/13/55/74/484135574.db2.gz QTOFBZFVCQTYEJ-FZMZJTMJSA-N 0 3 356.382 -0.557 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000577867189 484136405 /nfs/dbraw/zinc/13/64/05/484136405.db2.gz QTOFBZFVCQTYEJ-RISCZKNCSA-N 0 3 356.382 -0.557 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000577867190 484135683 /nfs/dbraw/zinc/13/56/83/484135683.db2.gz QTOFBZFVCQTYEJ-SMDDNHRTSA-N 0 3 356.382 -0.557 20 0 FBADHN CSc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccn1 ZINC000577867828 484135863 /nfs/dbraw/zinc/13/58/63/484135863.db2.gz BRVYJRIKTQBANS-NEPJUHHUSA-N 0 3 363.443 -0.810 20 0 FBADHN CSc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccn1 ZINC000577867829 484135397 /nfs/dbraw/zinc/13/53/97/484135397.db2.gz BRVYJRIKTQBANS-NWDGAFQWSA-N 0 3 363.443 -0.810 20 0 FBADHN CSc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccn1 ZINC000577867830 484136245 /nfs/dbraw/zinc/13/62/45/484136245.db2.gz BRVYJRIKTQBANS-RYUDHWBXSA-N 0 3 363.443 -0.810 20 0 FBADHN CSc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccn1 ZINC000577867831 484136613 /nfs/dbraw/zinc/13/66/13/484136613.db2.gz BRVYJRIKTQBANS-VXGBXAGGSA-N 0 3 363.443 -0.810 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000577867994 484136294 /nfs/dbraw/zinc/13/62/94/484136294.db2.gz LZTRTSXYKPKQAI-CYZMBNFOSA-N 0 3 374.397 -0.637 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000577867995 484135466 /nfs/dbraw/zinc/13/54/66/484135466.db2.gz LZTRTSXYKPKQAI-DRZSPHRISA-N 0 3 374.397 -0.637 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000577867996 484135989 /nfs/dbraw/zinc/13/59/89/484135989.db2.gz LZTRTSXYKPKQAI-UHTWSYAYSA-N 0 3 374.397 -0.637 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000577867997 484135796 /nfs/dbraw/zinc/13/57/96/484135796.db2.gz LZTRTSXYKPKQAI-WCFLWFBJSA-N 0 3 374.397 -0.637 20 0 FBADHN CC(C)N1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000577869094 484135828 /nfs/dbraw/zinc/13/58/28/484135828.db2.gz VPMUPVBBSYEUDL-HNNXBMFYSA-N 0 3 358.508 -0.305 20 0 FBADHN CC(C)N1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000577869095 484136078 /nfs/dbraw/zinc/13/60/78/484136078.db2.gz VPMUPVBBSYEUDL-OAHLLOKOSA-N 0 3 358.508 -0.305 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000577871604 484137482 /nfs/dbraw/zinc/13/74/82/484137482.db2.gz PFNJRCNLFJTFOR-AWEZNQCLSA-N 0 3 368.459 -0.731 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000577871605 484137914 /nfs/dbraw/zinc/13/79/14/484137914.db2.gz PFNJRCNLFJTFOR-CQSZACIVSA-N 0 3 368.459 -0.731 20 0 FBADHN Cc1cnn(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000577877379 484138178 /nfs/dbraw/zinc/13/81/78/484138178.db2.gz VPEABNXUKVLMQN-UHFFFAOYSA-N 0 3 355.464 -0.343 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CCN2C1=O ZINC000577887214 484137782 /nfs/dbraw/zinc/13/77/82/484137782.db2.gz JMGOVZMMNBYEBR-AAEUAGOBSA-N 0 3 362.411 -0.539 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CCN2C1=O ZINC000577887215 484137731 /nfs/dbraw/zinc/13/77/31/484137731.db2.gz JMGOVZMMNBYEBR-DGCLKSJQSA-N 0 3 362.411 -0.539 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CCN2C1=O ZINC000577887216 484137537 /nfs/dbraw/zinc/13/75/37/484137537.db2.gz JMGOVZMMNBYEBR-WCQYABFASA-N 0 3 362.411 -0.539 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CCN2C1=O ZINC000577887217 484137825 /nfs/dbraw/zinc/13/78/25/484137825.db2.gz JMGOVZMMNBYEBR-YPMHNXCESA-N 0 3 362.411 -0.539 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccs1 ZINC000577888575 484137771 /nfs/dbraw/zinc/13/77/71/484137771.db2.gz YHHAQZJZNHGSEN-NEPJUHHUSA-N 0 3 364.471 -0.088 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccs1 ZINC000577888576 484137498 /nfs/dbraw/zinc/13/74/98/484137498.db2.gz YHHAQZJZNHGSEN-NWDGAFQWSA-N 0 3 364.471 -0.088 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccs1 ZINC000577888577 484137717 /nfs/dbraw/zinc/13/77/17/484137717.db2.gz YHHAQZJZNHGSEN-RYUDHWBXSA-N 0 3 364.471 -0.088 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccs1 ZINC000577888578 484138406 /nfs/dbraw/zinc/13/84/06/484138406.db2.gz YHHAQZJZNHGSEN-VXGBXAGGSA-N 0 3 364.471 -0.088 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000577896703 484410793 /nfs/dbraw/zinc/41/07/93/484410793.db2.gz ROALAIWGDNGMFO-JTQLQIEISA-N 0 3 351.407 0.134 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000577896704 484410206 /nfs/dbraw/zinc/41/02/06/484410206.db2.gz ROALAIWGDNGMFO-SNVBAGLBSA-N 0 3 351.407 0.134 20 0 FBADHN CN(C)c1nc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc(=O)[n-]1 ZINC000577903349 484139644 /nfs/dbraw/zinc/13/96/44/484139644.db2.gz CSMXHMMESQGPPK-UHFFFAOYSA-N 0 3 364.450 -0.030 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CCN1C ZINC000577903438 484140217 /nfs/dbraw/zinc/14/02/17/484140217.db2.gz FYVOXBJPUJNYLJ-ILXRZTDVSA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CCN1C ZINC000577903441 484139620 /nfs/dbraw/zinc/13/96/20/484139620.db2.gz FYVOXBJPUJNYLJ-KFWWJZLASA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CCN1C ZINC000577903443 484140055 /nfs/dbraw/zinc/14/00/55/484140055.db2.gz FYVOXBJPUJNYLJ-QLFBSQMISA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CCN1C ZINC000577903445 484139267 /nfs/dbraw/zinc/13/92/67/484139267.db2.gz FYVOXBJPUJNYLJ-RBSFLKMASA-N 0 3 354.495 -0.111 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@@H]1O ZINC000577919686 484139540 /nfs/dbraw/zinc/13/95/40/484139540.db2.gz LNGZQHKMQMSMEV-IUCAKERBSA-N 0 3 355.196 -0.366 20 0 FBADHN CN(C)[C@H]1CN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1O ZINC000577931119 484140111 /nfs/dbraw/zinc/14/01/11/484140111.db2.gz KXPYDCCGXZPTDT-HOTGVXAUSA-N 0 3 357.476 -0.078 20 0 FBADHN CCN1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC1=O ZINC000577941616 484144010 /nfs/dbraw/zinc/14/40/10/484144010.db2.gz JOQSHMYMDKDWEP-UHFFFAOYSA-N 0 3 353.467 -0.386 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)N2CCCC2)[C@H](CN)C1 ZINC000577942678 484145740 /nfs/dbraw/zinc/14/57/40/484145740.db2.gz GCULVMBDLBYCQD-CABCVRRESA-N 0 3 363.462 -0.366 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)N2CCCC2)[C@@H](CN)C1 ZINC000577942679 484144915 /nfs/dbraw/zinc/14/49/15/484144915.db2.gz GCULVMBDLBYCQD-GJZGRUSLSA-N 0 3 363.462 -0.366 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@H](c2ccco2)N2CCCC2)[C@H](CN)C1 ZINC000577942680 484145761 /nfs/dbraw/zinc/14/57/61/484145761.db2.gz GCULVMBDLBYCQD-HUUCEWRRSA-N 0 3 363.462 -0.366 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@H](c2ccco2)N2CCCC2)[C@@H](CN)C1 ZINC000577942681 484144560 /nfs/dbraw/zinc/14/45/60/484144560.db2.gz GCULVMBDLBYCQD-LSDHHAIUSA-N 0 3 363.462 -0.366 20 0 FBADHN O=C(c1ccc(CNC[C@H](O)Cn2cccn2)cc1)N1CCNC(=O)C1 ZINC000577947502 484148227 /nfs/dbraw/zinc/14/82/27/484148227.db2.gz IMHZLQGEKAKXBG-INIZCTEOSA-N 0 3 357.414 -0.394 20 0 FBADHN O=C(c1ccc(CNC[C@@H](O)Cn2cccn2)cc1)N1CCNC(=O)C1 ZINC000577947503 484148397 /nfs/dbraw/zinc/14/83/97/484148397.db2.gz IMHZLQGEKAKXBG-MRXNPFEDSA-N 0 3 357.414 -0.394 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(CNC[C@H](O)CN2CCOCC2)cc1 ZINC000577947626 484148446 /nfs/dbraw/zinc/14/84/46/484148446.db2.gz PGXZRUGPRRTWFW-HNNXBMFYSA-N 0 3 357.476 -0.280 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000577947627 484148359 /nfs/dbraw/zinc/14/83/59/484148359.db2.gz PGXZRUGPRRTWFW-OAHLLOKOSA-N 0 3 357.476 -0.280 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCN(C(=O)CCOC3CNC3)CC2)cc1 ZINC000577949723 484150281 /nfs/dbraw/zinc/15/02/81/484150281.db2.gz CCIGFVXKFJLPPM-UHFFFAOYSA-N 0 3 368.459 -0.639 20 0 FBADHN CN1CCN([C@@H](C(=O)NCC(=O)N2CCNCC2)c2ccccc2)CC1 ZINC000577951676 484149532 /nfs/dbraw/zinc/14/95/32/484149532.db2.gz JXUIHMUNRBHQIY-GOSISDBHSA-N 0 3 359.474 -0.477 20 0 FBADHN CN1CCN([C@H](C(=O)NCC(=O)N2CCNCC2)c2ccccc2)CC1 ZINC000577951677 484149565 /nfs/dbraw/zinc/14/95/65/484149565.db2.gz JXUIHMUNRBHQIY-SFHVURJKSA-N 0 3 359.474 -0.477 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000577952870 484149963 /nfs/dbraw/zinc/14/99/63/484149963.db2.gz FZOOOLJIUCPKSX-QJPTWQEYSA-N 0 3 354.451 -0.269 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000577952871 484149634 /nfs/dbraw/zinc/14/96/34/484149634.db2.gz FZOOOLJIUCPKSX-SDDRHHMPSA-N 0 3 354.451 -0.269 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000577952872 484150219 /nfs/dbraw/zinc/15/02/19/484150219.db2.gz FZOOOLJIUCPKSX-SRVKXCTJSA-N 0 3 354.451 -0.269 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000577952873 484149653 /nfs/dbraw/zinc/14/96/53/484149653.db2.gz FZOOOLJIUCPKSX-TUAOUCFPSA-N 0 3 354.451 -0.269 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000577953946 484149598 /nfs/dbraw/zinc/14/95/98/484149598.db2.gz PFCJNRVCCSQRBW-HNNXBMFYSA-N 0 3 352.460 -0.013 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000577953947 484150133 /nfs/dbraw/zinc/15/01/33/484150133.db2.gz PFCJNRVCCSQRBW-OAHLLOKOSA-N 0 3 352.460 -0.013 20 0 FBADHN CN[C@@H](C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000577963362 484149696 /nfs/dbraw/zinc/14/96/96/484149696.db2.gz WYQKIGRJKIRCJW-LBPRGKRZSA-N 0 3 353.444 -0.018 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4ncon4)cc3)CCN2C1=O ZINC000577964441 484149378 /nfs/dbraw/zinc/14/93/78/484149378.db2.gz MGPINSWCZYDDON-CHWSQXEVSA-N 0 3 370.369 -0.555 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4ncon4)cc3)CCN2C1=O ZINC000577964442 484149389 /nfs/dbraw/zinc/14/93/89/484149389.db2.gz MGPINSWCZYDDON-OLZOCXBDSA-N 0 3 370.369 -0.555 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4ncon4)cc3)CCN2C1=O ZINC000577964443 484150287 /nfs/dbraw/zinc/15/02/87/484150287.db2.gz MGPINSWCZYDDON-QWHCGFSZSA-N 0 3 370.369 -0.555 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4ncon4)cc3)CCN2C1=O ZINC000577964444 484149348 /nfs/dbraw/zinc/14/93/48/484149348.db2.gz MGPINSWCZYDDON-STQMWFEESA-N 0 3 370.369 -0.555 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000577977201 484151184 /nfs/dbraw/zinc/15/11/84/484151184.db2.gz DJGXEGOYZZCNQG-UHFFFAOYSA-N 0 3 356.467 -0.412 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CCn3cnnc3C2)ccn1 ZINC000577980592 484150919 /nfs/dbraw/zinc/15/09/19/484150919.db2.gz OQKFWADLSRACEZ-UHFFFAOYSA-N 0 3 373.417 -0.728 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000577984143 484152744 /nfs/dbraw/zinc/15/27/44/484152744.db2.gz BIVQTQRSTKGZKV-DZGCQCFKSA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000577984144 484153035 /nfs/dbraw/zinc/15/30/35/484153035.db2.gz BIVQTQRSTKGZKV-HIFRSBDPSA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000577984145 484152273 /nfs/dbraw/zinc/15/22/73/484152273.db2.gz BIVQTQRSTKGZKV-UKRRQHHQSA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000577984146 484153183 /nfs/dbraw/zinc/15/31/83/484153183.db2.gz BIVQTQRSTKGZKV-ZFWWWQNUSA-N 0 3 352.479 -0.188 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1F ZINC000577999718 484152527 /nfs/dbraw/zinc/15/25/27/484152527.db2.gz MVRQBNLGOBOHIY-CYBMUJFWSA-N 0 3 352.410 -0.406 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1F ZINC000577999719 484152780 /nfs/dbraw/zinc/15/27/80/484152780.db2.gz MVRQBNLGOBOHIY-ZDUSSCGKSA-N 0 3 352.410 -0.406 20 0 FBADHN COc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1C ZINC000578000190 484415998 /nfs/dbraw/zinc/41/59/98/484415998.db2.gz BRSQATHLMKZFCV-GFCCVEGCSA-N 0 3 350.423 0.199 20 0 FBADHN COc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1C ZINC000578000191 484152121 /nfs/dbraw/zinc/15/21/21/484152121.db2.gz BRSQATHLMKZFCV-LBPRGKRZSA-N 0 3 350.423 0.199 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)N1CCC[C@@H](C)C1 ZINC000578001378 484152939 /nfs/dbraw/zinc/15/29/39/484152939.db2.gz MQEUEWSDWWBBHB-BZUAXINKSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)N1CCC[C@@H](C)C1 ZINC000578001379 484153601 /nfs/dbraw/zinc/15/36/01/484153601.db2.gz MQEUEWSDWWBBHB-OAGGEKHMSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)N1CCC[C@@H](C)C1 ZINC000578001380 484153451 /nfs/dbraw/zinc/15/34/51/484153451.db2.gz MQEUEWSDWWBBHB-OWCLPIDISA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)N1CCC[C@@H](C)C1 ZINC000578001381 484153143 /nfs/dbraw/zinc/15/31/43/484153143.db2.gz MQEUEWSDWWBBHB-PMPSAXMXSA-N 0 3 353.511 -0.415 20 0 FBADHN COC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)s1 ZINC000578005204 484153307 /nfs/dbraw/zinc/15/33/07/484153307.db2.gz QELPSWFYGCBLNZ-JTQLQIEISA-N 0 3 354.432 -0.748 20 0 FBADHN COC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)s1 ZINC000578005205 484153105 /nfs/dbraw/zinc/15/31/05/484153105.db2.gz QELPSWFYGCBLNZ-SNVBAGLBSA-N 0 3 354.432 -0.748 20 0 FBADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CNS(=O)(=O)c1ccccc1 ZINC000578015187 484155162 /nfs/dbraw/zinc/15/51/62/484155162.db2.gz IRALSUSEWQYGFR-UKRRQHHQSA-N 0 3 355.460 -0.122 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000578021983 484154685 /nfs/dbraw/zinc/15/46/85/484154685.db2.gz UECOVKKNIPLYFI-CYBMUJFWSA-N 0 3 362.496 -0.625 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000578021984 484155139 /nfs/dbraw/zinc/15/51/39/484155139.db2.gz UECOVKKNIPLYFI-ZDUSSCGKSA-N 0 3 362.496 -0.625 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(=O)NCCN(C)C ZINC000578025422 484156377 /nfs/dbraw/zinc/15/63/77/484156377.db2.gz UFZHIYKTUIHJSS-BJJXKVORSA-N 0 3 361.446 -0.217 20 0 FBADHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(=O)NCCN(C)C ZINC000578025423 484156265 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C[C@]1(F)CNCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000578193786 484199757 /nfs/dbraw/zinc/19/97/57/484199757.db2.gz VJPARJPABBDIDX-KRWDZBQOSA-N 0 3 352.410 -0.200 20 0 FBADHN C[C@@]1(F)CNCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000578193787 484199728 /nfs/dbraw/zinc/19/97/28/484199728.db2.gz VJPARJPABBDIDX-QGZVFWFLSA-N 0 3 352.410 -0.200 20 0 FBADHN CS(=O)(=O)C1(C(=O)NCCNC(=O)NC2CCCCC2)CCNCC1 ZINC000578194203 484199543 /nfs/dbraw/zinc/19/95/43/484199543.db2.gz OAFRCGPFYBLKMP-UHFFFAOYSA-N 0 3 374.507 -0.099 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3Cl)CCN2C1=O ZINC000578207137 484202525 /nfs/dbraw/zinc/20/25/25/484202525.db2.gz MKAPNPBPKOKGJD-GXTWGEPZSA-N 0 3 364.833 -0.231 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3Cl)CCN2C1=O ZINC000578207138 484201164 /nfs/dbraw/zinc/20/11/64/484201164.db2.gz MKAPNPBPKOKGJD-JSGCOSHPSA-N 0 3 364.833 -0.231 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3Cl)CCN2C1=O ZINC000578207139 484201685 /nfs/dbraw/zinc/20/16/85/484201685.db2.gz MKAPNPBPKOKGJD-OCCSQVGLSA-N 0 3 364.833 -0.231 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3Cl)CCN2C1=O ZINC000578207140 484201285 /nfs/dbraw/zinc/20/12/85/484201285.db2.gz MKAPNPBPKOKGJD-TZMCWYRMSA-N 0 3 364.833 -0.231 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000578209872 484202092 /nfs/dbraw/zinc/20/20/92/484202092.db2.gz MBQNBEUIYWWUQO-UHFFFAOYSA-N 0 3 351.451 -0.195 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([S@](C)=O)CC2)CC1 ZINC000578212532 484201743 /nfs/dbraw/zinc/20/17/43/484201743.db2.gz XTPDZZICUBNUCB-OZAJXLCCSA-N 0 3 356.492 -0.155 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([S@@](C)=O)CC2)CC1 ZINC000578212533 484202118 /nfs/dbraw/zinc/20/21/18/484202118.db2.gz XTPDZZICUBNUCB-RKNYENMMSA-N 0 3 356.492 -0.155 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([S@](C)=O)CC2)CC1 ZINC000578212534 484202420 /nfs/dbraw/zinc/20/24/20/484202420.db2.gz XTPDZZICUBNUCB-RZFZLAGVSA-N 0 3 356.492 -0.155 20 0 FBADHN 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/nfs/dbraw/zinc/20/42/44/484204244.db2.gz KQQSUDOVVXJVQK-BLLLJJGKSA-N 0 3 356.492 -0.381 20 0 FBADHN CCN1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@@H](C)C1=O ZINC000578227458 484204079 /nfs/dbraw/zinc/20/40/79/484204079.db2.gz KQQSUDOVVXJVQK-LRDDRELGSA-N 0 3 356.492 -0.381 20 0 FBADHN CCN1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)[C@H](C)C1=O ZINC000578227459 484202977 /nfs/dbraw/zinc/20/29/77/484202977.db2.gz KQQSUDOVVXJVQK-MLGOLLRUSA-N 0 3 356.492 -0.381 20 0 FBADHN CCN1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@H](C)C1=O ZINC000578227460 484204233 /nfs/dbraw/zinc/20/42/33/484204233.db2.gz KQQSUDOVVXJVQK-WBMJQRKESA-N 0 3 356.492 -0.381 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21)CN1CCN(C)CC1 ZINC000578227827 484203802 /nfs/dbraw/zinc/20/38/02/484203802.db2.gz LMPXMPZJTVXMLC-BRWVUGGUSA-N 0 3 365.522 -0.461 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)CN1CCN(C)CC1 ZINC000578227828 484203048 /nfs/dbraw/zinc/20/30/48/484203048.db2.gz LMPXMPZJTVXMLC-IKGGRYGDSA-N 0 3 365.522 -0.461 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C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](N)C3CCC3)CC2)C[C@H](C)O1 ZINC000578231121 484203635 /nfs/dbraw/zinc/20/36/35/484203635.db2.gz GVDUJYLYGPBPRM-VNHYZAJKSA-N 0 3 374.507 -0.388 20 0 FBADHN C[C@@](N)(C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000578238167 484203965 /nfs/dbraw/zinc/20/39/65/484203965.db2.gz OCSOWDRLZNHDIJ-INIZCTEOSA-N 0 3 352.460 -0.694 20 0 FBADHN C[C@](N)(C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000578238168 484203069 /nfs/dbraw/zinc/20/30/69/484203069.db2.gz OCSOWDRLZNHDIJ-MRXNPFEDSA-N 0 3 352.460 -0.694 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000578241991 484205275 /nfs/dbraw/zinc/20/52/75/484205275.db2.gz FDEHYKLOFWOKMT-HNNXBMFYSA-N 0 3 370.475 -0.070 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000578241992 484205193 /nfs/dbraw/zinc/20/51/93/484205193.db2.gz FDEHYKLOFWOKMT-OAHLLOKOSA-N 0 3 370.475 -0.070 20 0 FBADHN COCCOCCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000578242034 484204878 /nfs/dbraw/zinc/20/48/78/484204878.db2.gz GVDFTCJVRGMRFE-UHFFFAOYSA-N 0 3 357.451 -0.473 20 0 FBADHN C[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000578247353 484205621 /nfs/dbraw/zinc/20/56/21/484205621.db2.gz SIWBKBIFVPJYPS-RWMBFGLXSA-N 0 3 350.419 -0.880 20 0 FBADHN C[C@@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)NCCN(C)C ZINC000578247354 484205403 /nfs/dbraw/zinc/20/54/03/484205403.db2.gz SIWBKBIFVPJYPS-UPJWGTAASA-N 0 3 350.419 -0.880 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000578247896 484205936 /nfs/dbraw/zinc/20/59/36/484205936.db2.gz MTEUVCHGLDYMRV-CMPLNLGQSA-N 0 3 353.400 -0.610 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000578247897 484205544 /nfs/dbraw/zinc/20/55/44/484205544.db2.gz MTEUVCHGLDYMRV-JQWIXIFHSA-N 0 3 353.400 -0.610 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000578247898 484205384 /nfs/dbraw/zinc/20/53/84/484205384.db2.gz MTEUVCHGLDYMRV-PWSUYJOCSA-N 0 3 353.400 -0.610 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000578247899 484204936 /nfs/dbraw/zinc/20/49/36/484204936.db2.gz MTEUVCHGLDYMRV-ZYHUDNBSSA-N 0 3 353.400 -0.610 20 0 FBADHN C[C@H]([C@H](C)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)N1CCOCC1 ZINC000578254331 484205434 /nfs/dbraw/zinc/20/54/34/484205434.db2.gz QPPYFCFYXZFJCJ-CTASWTNQSA-N 0 3 352.479 -0.189 20 0 FBADHN C[C@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000578254332 484204771 /nfs/dbraw/zinc/20/47/71/484204771.db2.gz QPPYFCFYXZFJCJ-HOSILWTGSA-N 0 3 352.479 -0.189 20 0 FBADHN C[C@@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H](C)N1CCOCC1 ZINC000578254333 484205348 /nfs/dbraw/zinc/20/53/48/484205348.db2.gz QPPYFCFYXZFJCJ-KQTLUZQSSA-N 0 3 352.479 -0.189 20 0 FBADHN C[C@@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000578254334 484205608 /nfs/dbraw/zinc/20/56/08/484205608.db2.gz QPPYFCFYXZFJCJ-NYTXWWLZSA-N 0 3 352.479 -0.189 20 0 FBADHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000578256749 484204923 /nfs/dbraw/zinc/20/49/23/484204923.db2.gz SCSCOIIVPHIZKF-RBSFLKMASA-N 0 3 350.463 -0.040 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000578261776 484205512 /nfs/dbraw/zinc/20/55/12/484205512.db2.gz YWAWOKLHHNVXOK-UHFFFAOYSA-N 0 3 361.402 -0.801 20 0 FBADHN CSC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000578261843 484204859 /nfs/dbraw/zinc/20/48/59/484204859.db2.gz BWLUBJVNVLFSAR-UHFFFAOYSA-N 0 3 368.503 -0.235 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1n1ccnc1 ZINC000578274381 484205780 /nfs/dbraw/zinc/20/57/80/484205780.db2.gz NKKLAZUUFYELSV-CABCVRRESA-N 0 3 351.451 -0.013 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1n1ccnc1 ZINC000578274382 484205463 /nfs/dbraw/zinc/20/54/63/484205463.db2.gz NKKLAZUUFYELSV-GJZGRUSLSA-N 0 3 351.451 -0.013 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@H]1n1ccnc1 ZINC000578274383 484204842 /nfs/dbraw/zinc/20/48/42/484204842.db2.gz NKKLAZUUFYELSV-HUUCEWRRSA-N 0 3 351.451 -0.013 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@H]1n1ccnc1 ZINC000578274384 484205341 /nfs/dbraw/zinc/20/53/41/484205341.db2.gz NKKLAZUUFYELSV-LSDHHAIUSA-N 0 3 351.451 -0.013 20 0 FBADHN CS(=O)(=O)[C@H]1CCN(C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000578279575 484205866 /nfs/dbraw/zinc/20/58/66/484205866.db2.gz CBOQYZGJCHUXSI-AWEZNQCLSA-N 0 3 374.507 -0.193 20 0 FBADHN CS(=O)(=O)[C@@H]1CCN(C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000578279578 484206891 /nfs/dbraw/zinc/20/68/91/484206891.db2.gz CBOQYZGJCHUXSI-CQSZACIVSA-N 0 3 374.507 -0.193 20 0 FBADHN O=C(C(=O)N1CC(=O)N(CC(F)(F)F)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000578301105 484206610 /nfs/dbraw/zinc/20/66/10/484206610.db2.gz QGMMFXXLDURWOS-LLVKDONJSA-N 0 3 362.352 -0.126 20 0 FBADHN O=C(C(=O)N1CC(=O)N(CC(F)(F)F)C1)N1CC[C@H](N2CCCC2)C1 ZINC000578301106 484207335 /nfs/dbraw/zinc/20/73/35/484207335.db2.gz QGMMFXXLDURWOS-NSHDSACASA-N 0 3 362.352 -0.126 20 0 FBADHN CN(C)CCN1C(=O)C[C@@H](N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)C1=O ZINC000578303118 484207040 /nfs/dbraw/zinc/20/70/40/484207040.db2.gz WIFOCZKEKBWFNL-OWCLPIDISA-N 0 3 358.442 -0.124 20 0 FBADHN CN(C)CCN1C(=O)C[C@H](N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)C1=O ZINC000578303119 484206823 /nfs/dbraw/zinc/20/68/23/484206823.db2.gz WIFOCZKEKBWFNL-PMPSAXMXSA-N 0 3 358.442 -0.124 20 0 FBADHN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CNC1 ZINC000578304364 484206716 /nfs/dbraw/zinc/20/67/16/484206716.db2.gz CILNYOFRRLNEHX-UHFFFAOYSA-N 0 3 366.443 -0.112 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)Cc1ccc(F)cc1 ZINC000578307723 484207136 /nfs/dbraw/zinc/20/71/36/484207136.db2.gz ORGMGYKHWSWPHU-INIZCTEOSA-N 0 3 365.453 -0.525 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)Cc1ccc(F)cc1 ZINC000578307724 484207017 /nfs/dbraw/zinc/20/70/17/484207017.db2.gz ORGMGYKHWSWPHU-MRXNPFEDSA-N 0 3 365.453 -0.525 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000578314753 484207444 /nfs/dbraw/zinc/20/74/44/484207444.db2.gz MOEVARPSVWIIFY-FPMFFAJLSA-N 0 3 374.445 -0.074 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000578314754 484207275 /nfs/dbraw/zinc/20/72/75/484207275.db2.gz MOEVARPSVWIIFY-KWCYVHTRSA-N 0 3 374.445 -0.074 20 0 FBADHN COC[C@H](C)OC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000578316942 484207879 /nfs/dbraw/zinc/20/78/79/484207879.db2.gz UXHDFWHUZGMKDH-BFHYXJOUSA-N 0 3 353.485 -0.741 20 0 FBADHN COC[C@@H](C)OC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000578316943 484207814 /nfs/dbraw/zinc/20/78/14/484207814.db2.gz UXHDFWHUZGMKDH-MCIONIFRSA-N 0 3 353.485 -0.741 20 0 FBADHN COC[C@@H](C)OC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000578316944 484207354 /nfs/dbraw/zinc/20/73/54/484207354.db2.gz UXHDFWHUZGMKDH-MGPQQGTHSA-N 0 3 353.485 -0.741 20 0 FBADHN COC[C@H](C)OC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000578316945 484207690 /nfs/dbraw/zinc/20/76/90/484207690.db2.gz UXHDFWHUZGMKDH-MJBXVCDLSA-N 0 3 353.485 -0.741 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)NC2CC2)c1 ZINC000578320403 484208393 /nfs/dbraw/zinc/20/83/93/484208393.db2.gz SCXHIWPBNRDLIE-JTQLQIEISA-N 0 3 354.432 -0.210 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](C)NC2CC2)c1 ZINC000578320404 484208643 /nfs/dbraw/zinc/20/86/43/484208643.db2.gz SCXHIWPBNRDLIE-SNVBAGLBSA-N 0 3 354.432 -0.210 20 0 FBADHN CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000578330030 484208658 /nfs/dbraw/zinc/20/86/58/484208658.db2.gz ZQYCXVPDFRGGKF-AWEZNQCLSA-N 0 3 357.414 -0.137 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000578330031 484208704 /nfs/dbraw/zinc/20/87/04/484208704.db2.gz ZQYCXVPDFRGGKF-CQSZACIVSA-N 0 3 357.414 -0.137 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N(C)CCO)c1 ZINC000578332982 484208692 /nfs/dbraw/zinc/20/86/92/484208692.db2.gz QHQHUNWQHDVMLQ-UHFFFAOYSA-N 0 3 350.419 -0.955 20 0 FBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NC2CNC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578338108 484209392 /nfs/dbraw/zinc/20/93/92/484209392.db2.gz LICKJCGVBVLPPO-GXTWGEPZSA-N 0 3 368.796 -0.045 20 0 FBADHN CN1C(=O)C[C@H](NC(=O)C(=O)NC2CNC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578338109 484209306 /nfs/dbraw/zinc/20/93/06/484209306.db2.gz LICKJCGVBVLPPO-JSGCOSHPSA-N 0 3 368.796 -0.045 20 0 FBADHN CN1C(=O)C[C@@H](NC(=O)C(=O)NC2CNC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578338110 484208982 /nfs/dbraw/zinc/20/89/82/484208982.db2.gz LICKJCGVBVLPPO-OCCSQVGLSA-N 0 3 368.796 -0.045 20 0 FBADHN CN1C(=O)C[C@@H](NC(=O)C(=O)NC2CNC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578338111 484208913 /nfs/dbraw/zinc/20/89/13/484208913.db2.gz LICKJCGVBVLPPO-TZMCWYRMSA-N 0 3 368.796 -0.045 20 0 FBADHN CCc1cnc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000578339342 484209324 /nfs/dbraw/zinc/20/93/24/484209324.db2.gz DZMPYCDSPHPFLY-GXSJLCMTSA-N 0 3 351.432 -0.908 20 0 FBADHN CCc1cnc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000578339343 484208998 /nfs/dbraw/zinc/20/89/98/484208998.db2.gz DZMPYCDSPHPFLY-KOLCDFICSA-N 0 3 351.432 -0.908 20 0 FBADHN CCc1cnc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000578339344 484208828 /nfs/dbraw/zinc/20/88/28/484208828.db2.gz DZMPYCDSPHPFLY-MWLCHTKSSA-N 0 3 351.432 -0.908 20 0 FBADHN CCc1cnc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000578339345 484208319 /nfs/dbraw/zinc/20/83/19/484208319.db2.gz DZMPYCDSPHPFLY-ONGXEEELSA-N 0 3 351.432 -0.908 20 0 FBADHN CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000578339894 484209353 /nfs/dbraw/zinc/20/93/53/484209353.db2.gz VOAAVQAPFFOSST-KBPBESRZSA-N 0 3 360.414 -0.034 20 0 FBADHN CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000578339895 484208291 /nfs/dbraw/zinc/20/82/91/484208291.db2.gz VOAAVQAPFFOSST-KGLIPLIRSA-N 0 3 360.414 -0.034 20 0 FBADHN CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000578339896 484209158 /nfs/dbraw/zinc/20/91/58/484209158.db2.gz VOAAVQAPFFOSST-UONOGXRCSA-N 0 3 360.414 -0.034 20 0 FBADHN CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000578339897 484209497 /nfs/dbraw/zinc/20/94/97/484209497.db2.gz VOAAVQAPFFOSST-ZIAGYGMSSA-N 0 3 360.414 -0.034 20 0 FBADHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ncn(C)n2)C1 ZINC000578340003 484126376 /nfs/dbraw/zinc/12/63/76/484126376.db2.gz ZMADFBDQPLOYSG-HNNXBMFYSA-N 0 3 356.430 0.529 20 0 FBADHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(C)n2)C1 ZINC000578340004 484126220 /nfs/dbraw/zinc/12/62/20/484126220.db2.gz ZMADFBDQPLOYSG-OAHLLOKOSA-N 0 3 356.430 0.529 20 0 FBADHN O=S(=O)(NCCNC[C@@H](O)COC1CCOCC1)c1cccnc1 ZINC000578350134 484209196 /nfs/dbraw/zinc/20/91/96/484209196.db2.gz FUEZVINKKPLAOD-CYBMUJFWSA-N 0 3 359.448 -0.494 20 0 FBADHN O=S(=O)(NCCNC[C@H](O)COC1CCOCC1)c1cccnc1 ZINC000578350135 484208461 /nfs/dbraw/zinc/20/84/61/484208461.db2.gz FUEZVINKKPLAOD-ZDUSSCGKSA-N 0 3 359.448 -0.494 20 0 FBADHN CC(=O)Nc1ccc(OC[C@@H](O)CNCC(=O)N2CCOCC2)cc1 ZINC000578350207 484210819 /nfs/dbraw/zinc/21/08/19/484210819.db2.gz ICPQFLPSLXZTBX-HNNXBMFYSA-N 0 3 351.403 -0.167 20 0 FBADHN CC(=O)Nc1ccc(OC[C@H](O)CNCC(=O)N2CCOCC2)cc1 ZINC000578350208 484210545 /nfs/dbraw/zinc/21/05/45/484210545.db2.gz ICPQFLPSLXZTBX-OAHLLOKOSA-N 0 3 351.403 -0.167 20 0 FBADHN CCN1CCCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000578354538 484210379 /nfs/dbraw/zinc/21/03/79/484210379.db2.gz IOYLKHIWWCXSDA-CQSZACIVSA-N 0 3 361.512 -0.006 20 0 FBADHN CN1CCN(c2ncc(CN[C@H]3CCN(S(C)(=O)=O)C3)cn2)CC1 ZINC000578367161 484210683 /nfs/dbraw/zinc/21/06/83/484210683.db2.gz KOMKGUYOFHFRCB-AWEZNQCLSA-N 0 3 354.480 -0.648 20 0 FBADHN CN1CCN(c2ncc(CN[C@@H]3CCN(S(C)(=O)=O)C3)cn2)CC1 ZINC000578367162 484210653 /nfs/dbraw/zinc/21/06/53/484210653.db2.gz KOMKGUYOFHFRCB-CQSZACIVSA-N 0 3 354.480 -0.648 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cncc4ccccc43)CCN2C1=O ZINC000578380627 484210712 /nfs/dbraw/zinc/21/07/12/484210712.db2.gz DVMNKPDDIKKBTH-GXTWGEPZSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cncc4ccccc43)CCN2C1=O ZINC000578380630 484210747 /nfs/dbraw/zinc/21/07/47/484210747.db2.gz DVMNKPDDIKKBTH-JSGCOSHPSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cncc4ccccc43)CCN2C1=O ZINC000578380631 484210125 /nfs/dbraw/zinc/21/01/25/484210125.db2.gz DVMNKPDDIKKBTH-OCCSQVGLSA-N 0 3 353.382 -0.056 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cncc4ccccc43)CCN2C1=O ZINC000578380632 484210176 /nfs/dbraw/zinc/21/01/76/484210176.db2.gz DVMNKPDDIKKBTH-TZMCWYRMSA-N 0 3 353.382 -0.056 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578380645 484211917 /nfs/dbraw/zinc/21/19/17/484211917.db2.gz DZYOEWALCSDYEN-ILXRZTDVSA-N 0 3 365.478 -0.863 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578380650 484211607 /nfs/dbraw/zinc/21/16/07/484211607.db2.gz DZYOEWALCSDYEN-KFWWJZLASA-N 0 3 365.478 -0.863 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578380651 484211493 /nfs/dbraw/zinc/21/14/93/484211493.db2.gz DZYOEWALCSDYEN-QLFBSQMISA-N 0 3 365.478 -0.863 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578380652 484212075 /nfs/dbraw/zinc/21/20/75/484212075.db2.gz DZYOEWALCSDYEN-RBSFLKMASA-N 0 3 365.478 -0.863 20 0 FBADHN CC1=CCN(CCNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000578387968 484212266 /nfs/dbraw/zinc/21/22/66/484212266.db2.gz HENRFQFUIHMHAM-INIZCTEOSA-N 0 3 352.479 -0.161 20 0 FBADHN CC1=CCN(CCNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000578387969 484212147 /nfs/dbraw/zinc/21/21/47/484212147.db2.gz HENRFQFUIHMHAM-MRXNPFEDSA-N 0 3 352.479 -0.161 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000578393197 484212174 /nfs/dbraw/zinc/21/21/74/484212174.db2.gz VJJPPXSXFXGHHH-UHFFFAOYSA-N 0 3 369.510 -0.543 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000578394574 484212198 /nfs/dbraw/zinc/21/21/98/484212198.db2.gz XZRSACSDPDUXOM-ABAIWWIYSA-N 0 3 373.500 -0.012 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000578394575 484211458 /nfs/dbraw/zinc/21/14/58/484211458.db2.gz XZRSACSDPDUXOM-IAQYHMDHSA-N 0 3 373.500 -0.012 20 0 FBADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000578394576 484211846 /nfs/dbraw/zinc/21/18/46/484211846.db2.gz XZRSACSDPDUXOM-NHYWBVRUSA-N 0 3 373.500 -0.012 20 0 FBADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000578394577 484212083 /nfs/dbraw/zinc/21/20/83/484212083.db2.gz XZRSACSDPDUXOM-XHDPSFHLSA-N 0 3 373.500 -0.012 20 0 FBADHN C[C@@H](NC(=O)CCOc1cccc(C(N)=O)c1)C(=O)NCCN(C)C ZINC000578395014 484211944 /nfs/dbraw/zinc/21/19/44/484211944.db2.gz NEXVZWWDVHBWSW-GFCCVEGCSA-N 0 3 350.419 -0.263 20 0 FBADHN C[C@H](NC(=O)CCOc1cccc(C(N)=O)c1)C(=O)NCCN(C)C ZINC000578395015 484211734 /nfs/dbraw/zinc/21/17/34/484211734.db2.gz NEXVZWWDVHBWSW-LBPRGKRZSA-N 0 3 350.419 -0.263 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000578413962 484211554 /nfs/dbraw/zinc/21/15/54/484211554.db2.gz HTJCNLYDGYTGKT-AWEZNQCLSA-N 0 3 374.507 -0.241 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000578413963 484212428 /nfs/dbraw/zinc/21/24/28/484212428.db2.gz HTJCNLYDGYTGKT-CQSZACIVSA-N 0 3 374.507 -0.241 20 0 FBADHN CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000578426428 484213981 /nfs/dbraw/zinc/21/39/81/484213981.db2.gz MYULRQNLGDQPTN-HNNXBMFYSA-N 0 3 361.446 -0.237 20 0 FBADHN CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000578426429 484213206 /nfs/dbraw/zinc/21/32/06/484213206.db2.gz MYULRQNLGDQPTN-OAHLLOKOSA-N 0 3 361.446 -0.237 20 0 FBADHN C[C@H](CNC(=O)NCc1ccncc1OCCN(C)C)S(N)(=O)=O ZINC000578449141 484213996 /nfs/dbraw/zinc/21/39/96/484213996.db2.gz DZZPQDOTXNVQPL-LLVKDONJSA-N 0 3 359.452 -0.502 20 0 FBADHN C[C@@H](CNC(=O)NCc1ccncc1OCCN(C)C)S(N)(=O)=O ZINC000578449142 484213452 /nfs/dbraw/zinc/21/34/52/484213452.db2.gz DZZPQDOTXNVQPL-NSHDSACASA-N 0 3 359.452 -0.502 20 0 FBADHN O=S(=O)(c1ccc(OCCNC(CO)CO)cc1)N1CCOCC1 ZINC000578450838 484213893 /nfs/dbraw/zinc/21/38/93/484213893.db2.gz MSKPEHDZLRDFTG-UHFFFAOYSA-N 0 3 360.432 -0.971 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000578451126 484213286 /nfs/dbraw/zinc/21/32/86/484213286.db2.gz WKEITAZPFVXDSG-KRWDZBQOSA-N 0 3 350.463 -0.153 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000578451127 484214021 /nfs/dbraw/zinc/21/40/21/484214021.db2.gz WKEITAZPFVXDSG-QGZVFWFLSA-N 0 3 350.463 -0.153 20 0 FBADHN COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578454235 484213716 /nfs/dbraw/zinc/21/37/16/484213716.db2.gz ULRGCLSUACUFHJ-CHWSQXEVSA-N 0 3 374.397 -0.889 20 0 FBADHN COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578454236 484213361 /nfs/dbraw/zinc/21/33/61/484213361.db2.gz ULRGCLSUACUFHJ-OLZOCXBDSA-N 0 3 374.397 -0.889 20 0 FBADHN COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578454237 484214100 /nfs/dbraw/zinc/21/41/00/484214100.db2.gz ULRGCLSUACUFHJ-QWHCGFSZSA-N 0 3 374.397 -0.889 20 0 FBADHN COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578454238 484213397 /nfs/dbraw/zinc/21/33/97/484213397.db2.gz ULRGCLSUACUFHJ-STQMWFEESA-N 0 3 374.397 -0.889 20 0 FBADHN CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCO1 ZINC000578454564 484213763 /nfs/dbraw/zinc/21/37/63/484213763.db2.gz KFKZHMONIHPVFF-BARDWOONSA-N 0 3 366.462 -0.533 20 0 FBADHN CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO1 ZINC000578454565 484213381 /nfs/dbraw/zinc/21/33/81/484213381.db2.gz KFKZHMONIHPVFF-KBUPBQIOSA-N 0 3 366.462 -0.533 20 0 FBADHN CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO1 ZINC000578454566 484213821 /nfs/dbraw/zinc/21/38/21/484213821.db2.gz KFKZHMONIHPVFF-LXTVHRRPSA-N 0 3 366.462 -0.533 20 0 FBADHN CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCO1 ZINC000578454567 484213829 /nfs/dbraw/zinc/21/38/29/484213829.db2.gz KFKZHMONIHPVFF-TUVASFSCSA-N 0 3 366.462 -0.533 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC(=O)N1C ZINC000578464069 484213597 /nfs/dbraw/zinc/21/35/97/484213597.db2.gz CXOHEKIZQOAVJD-KBPBESRZSA-N 0 3 354.451 -0.707 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC(=O)N1C ZINC000578464070 484213418 /nfs/dbraw/zinc/21/34/18/484213418.db2.gz CXOHEKIZQOAVJD-KGLIPLIRSA-N 0 3 354.451 -0.707 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC(=O)N1C ZINC000578464071 484213788 /nfs/dbraw/zinc/21/37/88/484213788.db2.gz CXOHEKIZQOAVJD-UONOGXRCSA-N 0 3 354.451 -0.707 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC(=O)N1C ZINC000578464072 484213742 /nfs/dbraw/zinc/21/37/42/484213742.db2.gz CXOHEKIZQOAVJD-ZIAGYGMSSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000578469622 484215536 /nfs/dbraw/zinc/21/55/36/484215536.db2.gz SBNOCXMTLYGPHZ-CYBMUJFWSA-N 0 3 360.480 -0.921 20 0 FBADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000578471974 484215370 /nfs/dbraw/zinc/21/53/70/484215370.db2.gz XAWSJRDHKBPBEK-GFCCVEGCSA-N 0 3 353.510 -0.376 20 0 FBADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000578471975 484215590 /nfs/dbraw/zinc/21/55/90/484215590.db2.gz XAWSJRDHKBPBEK-LBPRGKRZSA-N 0 3 353.510 -0.376 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H](C)O1 ZINC000578482841 484215668 /nfs/dbraw/zinc/21/56/68/484215668.db2.gz JOVSSSUPLYUVDG-OWCLPIDISA-N 0 3 354.495 -0.036 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H](C)O1 ZINC000578482842 484215846 /nfs/dbraw/zinc/21/58/46/484215846.db2.gz JOVSSSUPLYUVDG-XHSDSOJGSA-N 0 3 354.495 -0.036 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000578487587 484215478 /nfs/dbraw/zinc/21/54/78/484215478.db2.gz ACCJNKMXXNSPAQ-HNNXBMFYSA-N 0 3 363.462 -0.157 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000578487588 484215124 /nfs/dbraw/zinc/21/51/24/484215124.db2.gz ACCJNKMXXNSPAQ-OAHLLOKOSA-N 0 3 363.462 -0.157 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21)CN1CCOCC1 ZINC000578492261 484215320 /nfs/dbraw/zinc/21/53/20/484215320.db2.gz DOEVIORHKYCFAD-BZUAXINKSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)CN1CCOCC1 ZINC000578492262 484215246 /nfs/dbraw/zinc/21/52/46/484215246.db2.gz DOEVIORHKYCFAD-OAGGEKHMSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)CN1CCOCC1 ZINC000578492263 484215346 /nfs/dbraw/zinc/21/53/46/484215346.db2.gz DOEVIORHKYCFAD-OWCLPIDISA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)CN1CCOCC1 ZINC000578492264 484215068 /nfs/dbraw/zinc/21/50/68/484215068.db2.gz DOEVIORHKYCFAD-PMPSAXMXSA-N 0 3 352.479 -0.377 20 0 FBADHN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578505280 484215361 /nfs/dbraw/zinc/21/53/61/484215361.db2.gz LOYGDIIPMANECK-UHFFFAOYSA-N 0 3 369.385 -0.161 20 0 FBADHN Cn1c(C(=O)N[C@H]2CNCCC2(F)F)cc2c1n(C)c(=O)n(C)c2=O ZINC000578508694 484215220 /nfs/dbraw/zinc/21/52/20/484215220.db2.gz CIJVWOOQIBGNAP-JTQLQIEISA-N 0 3 355.345 -0.697 20 0 FBADHN Cn1c(C(=O)N[C@@H]2CNCCC2(F)F)cc2c1n(C)c(=O)n(C)c2=O ZINC000578508695 484214846 /nfs/dbraw/zinc/21/48/46/484214846.db2.gz CIJVWOOQIBGNAP-SNVBAGLBSA-N 0 3 355.345 -0.697 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@@H](C)CN1 ZINC000578517995 484216567 /nfs/dbraw/zinc/21/65/67/484216567.db2.gz ASQQSRHLZQQDCA-CABCVRRESA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@@H](C)CN1 ZINC000578517996 484217029 /nfs/dbraw/zinc/21/70/29/484217029.db2.gz ASQQSRHLZQQDCA-GJZGRUSLSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@H](C)CN1 ZINC000578517997 484217255 /nfs/dbraw/zinc/21/72/55/484217255.db2.gz ASQQSRHLZQQDCA-HUUCEWRRSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000578517998 484216714 /nfs/dbraw/zinc/21/67/14/484216714.db2.gz ASQQSRHLZQQDCA-LSDHHAIUSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H](N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1)C(F)(F)F ZINC000578518923 484217233 /nfs/dbraw/zinc/21/72/33/484217233.db2.gz STNXMJPSXDLXKH-NEPJUHHUSA-N 0 3 365.400 -0.817 20 0 FBADHN C[C@H](N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1)C(F)(F)F ZINC000578518925 484217396 /nfs/dbraw/zinc/21/73/96/484217396.db2.gz STNXMJPSXDLXKH-NWDGAFQWSA-N 0 3 365.400 -0.817 20 0 FBADHN C[C@H](N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1)C(F)(F)F ZINC000578518927 484216524 /nfs/dbraw/zinc/21/65/24/484216524.db2.gz STNXMJPSXDLXKH-RYUDHWBXSA-N 0 3 365.400 -0.817 20 0 FBADHN C[C@@H](N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1)C(F)(F)F ZINC000578518928 484217242 /nfs/dbraw/zinc/21/72/42/484217242.db2.gz STNXMJPSXDLXKH-VXGBXAGGSA-N 0 3 365.400 -0.817 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)n1 ZINC000578521217 484216383 /nfs/dbraw/zinc/21/63/83/484216383.db2.gz OUTJTDXVVDRECX-CYBMUJFWSA-N 0 3 357.480 -0.059 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)n1 ZINC000578521218 484216656 /nfs/dbraw/zinc/21/66/56/484216656.db2.gz OUTJTDXVVDRECX-ZDUSSCGKSA-N 0 3 357.480 -0.059 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000578523747 484217136 /nfs/dbraw/zinc/21/71/36/484217136.db2.gz OSLCEHFKZAUCQZ-QLFBSQMISA-N 0 3 353.444 -0.052 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000578523748 484216827 /nfs/dbraw/zinc/21/68/27/484216827.db2.gz OSLCEHFKZAUCQZ-RBSFLKMASA-N 0 3 353.444 -0.052 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000578523749 484216838 /nfs/dbraw/zinc/21/68/38/484216838.db2.gz OSLCEHFKZAUCQZ-RRFJBIMHSA-N 0 3 353.444 -0.052 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000578523750 484216685 /nfs/dbraw/zinc/21/66/85/484216685.db2.gz OSLCEHFKZAUCQZ-SOUVJXGZSA-N 0 3 353.444 -0.052 20 0 FBADHN Cc1cn2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc2n1 ZINC000578524543 484217494 /nfs/dbraw/zinc/21/74/94/484217494.db2.gz JDSAYGZQPHISJC-CHWSQXEVSA-N 0 3 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FBADHN CC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C ZINC000578551009 484218572 /nfs/dbraw/zinc/21/85/72/484218572.db2.gz VVANXDXCDFDBCS-UKRRQHHQSA-N 0 3 358.398 -0.093 20 0 FBADHN CC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C ZINC000578551010 484218451 /nfs/dbraw/zinc/21/84/51/484218451.db2.gz VVANXDXCDFDBCS-ZFWWWQNUSA-N 0 3 358.398 -0.093 20 0 FBADHN CCn1cc([C@H]2CN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CCO2)cn1 ZINC000578615764 484219891 /nfs/dbraw/zinc/21/98/91/484219891.db2.gz NXQCPAYKBJNUJD-NUEKZKHPSA-N 0 3 361.446 -0.035 20 0 FBADHN CN1CCN(C[C@@H](O)CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000578620038 484220040 /nfs/dbraw/zinc/22/00/40/484220040.db2.gz KFEYYLYZZYLFSO-CABCVRRESA-N 0 3 360.524 -0.859 20 0 FBADHN CN1CCN(C[C@H](O)CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000578620039 484219444 /nfs/dbraw/zinc/21/94/44/484219444.db2.gz KFEYYLYZZYLFSO-HUUCEWRRSA-N 0 3 360.524 -0.859 20 0 FBADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC3CNC3)cc2)CC1 ZINC000578620480 484220589 /nfs/dbraw/zinc/22/05/89/484220589.db2.gz XDOLRWFGCNMECL-UHFFFAOYSA-N 0 3 373.457 -0.580 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CNCCO2)cc1 ZINC000578625848 484220507 /nfs/dbraw/zinc/22/05/07/484220507.db2.gz PAPXCWFLYWJPQX-CYBMUJFWSA-N 0 3 357.432 -0.671 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000578625849 484220531 /nfs/dbraw/zinc/22/05/31/484220531.db2.gz PAPXCWFLYWJPQX-ZDUSSCGKSA-N 0 3 357.432 -0.671 20 0 FBADHN COC(=O)c1cccc(NC2CCN(C(=O)C(=O)NC3CNC3)CC2)c1 ZINC000578626732 484220462 /nfs/dbraw/zinc/22/04/62/484220462.db2.gz OKBCIFHIVLVNOQ-UHFFFAOYSA-N 0 3 360.414 -0.036 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)C[C@@H]1O ZINC000578642127 484220490 /nfs/dbraw/zinc/22/04/90/484220490.db2.gz UZKVDLOGBVOSPQ-STQMWFEESA-N 0 3 373.413 -0.342 20 0 FBADHN CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C ZINC000578644029 484446310 /nfs/dbraw/zinc/44/63/10/484446310.db2.gz KPVRUSGKCGRZAU-CYZMBNFOSA-N 0 3 362.434 -0.129 20 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/nfs/dbraw/zinc/22/01/19/484220119.db2.gz UBCCQUZPTVLFTK-ZIAGYGMSSA-N 0 3 364.833 -0.231 20 0 FBADHN CS[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)(C)C ZINC000578645070 484220289 /nfs/dbraw/zinc/22/02/89/484220289.db2.gz VRQGAHZSUOJMOR-GRYCIOLGSA-N 0 3 356.492 -0.349 20 0 FBADHN CS[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)(C)C ZINC000578645071 484220270 /nfs/dbraw/zinc/22/02/70/484220270.db2.gz VRQGAHZSUOJMOR-IJLUTSLNSA-N 0 3 356.492 -0.349 20 0 FBADHN CS[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)(C)C ZINC000578645072 484219797 /nfs/dbraw/zinc/21/97/97/484219797.db2.gz VRQGAHZSUOJMOR-QJPTWQEYSA-N 0 3 356.492 -0.349 20 0 FBADHN CS[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)(C)C ZINC000578645073 484219578 /nfs/dbraw/zinc/21/95/78/484219578.db2.gz VRQGAHZSUOJMOR-SDDRHHMPSA-N 0 3 356.492 -0.349 20 0 FBADHN NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CNCCO1 ZINC000578647781 484221692 /nfs/dbraw/zinc/22/16/92/484221692.db2.gz HROUGJNWFDDAOM-CABCVRRESA-N 0 3 362.430 -0.916 20 0 FBADHN NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CNCCO1 ZINC000578647782 484221884 /nfs/dbraw/zinc/22/18/84/484221884.db2.gz HROUGJNWFDDAOM-GJZGRUSLSA-N 0 3 362.430 -0.916 20 0 FBADHN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CNCCO1 ZINC000578647783 484222024 /nfs/dbraw/zinc/22/20/24/484222024.db2.gz HROUGJNWFDDAOM-HUUCEWRRSA-N 0 3 362.430 -0.916 20 0 FBADHN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CNCCO1 ZINC000578647784 484221935 /nfs/dbraw/zinc/22/19/35/484221935.db2.gz HROUGJNWFDDAOM-LSDHHAIUSA-N 0 3 362.430 -0.916 20 0 FBADHN Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000578658990 484221396 /nfs/dbraw/zinc/22/13/96/484221396.db2.gz YNPCSBQJBJKRLK-UHFFFAOYSA-N 0 3 357.480 -0.193 20 0 FBADHN CN1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)CC1=O ZINC000578663728 484221410 /nfs/dbraw/zinc/22/14/10/484221410.db2.gz MSBUALFKULNANF-UHFFFAOYSA-N 0 3 359.430 -0.285 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N(C)Cc1cn2c(n1)CCCC2 ZINC000578668215 484221162 /nfs/dbraw/zinc/22/11/62/484221162.db2.gz URULWIKJHJCAOH-UHFFFAOYSA-N 0 3 351.451 -0.128 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccnc1 ZINC000578670463 484222595 /nfs/dbraw/zinc/22/25/95/484222595.db2.gz AMVPJAHFBBSUDL-HRCADAONSA-N 0 3 373.457 -0.292 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccnc1 ZINC000578670464 484223070 /nfs/dbraw/zinc/22/30/70/484223070.db2.gz AMVPJAHFBBSUDL-JYJNAYRXSA-N 0 3 373.457 -0.292 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccnc1 ZINC000578670465 484222663 /nfs/dbraw/zinc/22/26/63/484222663.db2.gz AMVPJAHFBBSUDL-OWCLPIDISA-N 0 3 373.457 -0.292 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccnc1 ZINC000578670466 484223451 /nfs/dbraw/zinc/22/34/51/484223451.db2.gz AMVPJAHFBBSUDL-PMPSAXMXSA-N 0 3 373.457 -0.292 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)CC1 ZINC000578672410 484222916 /nfs/dbraw/zinc/22/29/16/484222916.db2.gz DQPGPJHLCNWOAN-OZAJXLCCSA-N 0 3 361.508 -0.125 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)CC1 ZINC000578672411 484223425 /nfs/dbraw/zinc/22/34/25/484223425.db2.gz DQPGPJHLCNWOAN-RKNYENMMSA-N 0 3 361.508 -0.125 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)CC1 ZINC000578672412 484223433 /nfs/dbraw/zinc/22/34/33/484223433.db2.gz DQPGPJHLCNWOAN-RZFZLAGVSA-N 0 3 361.508 -0.125 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)CC1 ZINC000578672413 484223095 /nfs/dbraw/zinc/22/30/95/484223095.db2.gz DQPGPJHLCNWOAN-YEBMWUKDSA-N 0 3 361.508 -0.125 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1 ZINC000578675986 484222548 /nfs/dbraw/zinc/22/25/48/484222548.db2.gz QLXXOVMFRWSDSQ-CYBMUJFWSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1 ZINC000578675991 484223229 /nfs/dbraw/zinc/22/32/29/484223229.db2.gz QLXXOVMFRWSDSQ-ZDUSSCGKSA-N 0 3 360.480 -0.873 20 0 FBADHN CSc1nnc(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)s1 ZINC000578679676 484222529 /nfs/dbraw/zinc/22/25/29/484222529.db2.gz OAWLDYPDHHCPNB-UHFFFAOYSA-N 0 3 374.536 -0.172 20 0 FBADHN CN(C)CC(=O)NCCN(CCN1CCCCCC1)C(=O)CN(C)C ZINC000578679827 484223362 /nfs/dbraw/zinc/22/33/62/484223362.db2.gz UHOYKUATKDELIP-UHFFFAOYSA-N 0 3 355.527 -0.070 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](OC)C(=O)OC)CC1=O ZINC000578685186 484222713 /nfs/dbraw/zinc/22/27/13/484222713.db2.gz QDFNXGPRVIZIAW-BFHYXJOUSA-N 0 3 355.435 -0.377 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](OC)C(=O)OC)CC1=O ZINC000578685187 484222882 /nfs/dbraw/zinc/22/28/82/484222882.db2.gz QDFNXGPRVIZIAW-MCIONIFRSA-N 0 3 355.435 -0.377 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](OC)C(=O)OC)CC1=O ZINC000578685188 484222763 /nfs/dbraw/zinc/22/27/63/484222763.db2.gz QDFNXGPRVIZIAW-MGPQQGTHSA-N 0 3 355.435 -0.377 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](OC)C(=O)OC)CC1=O ZINC000578685189 484222785 /nfs/dbraw/zinc/22/27/85/484222785.db2.gz QDFNXGPRVIZIAW-MJBXVCDLSA-N 0 3 355.435 -0.377 20 0 FBADHN Cn1cc(C[C@H](O)C(=O)NCC(=O)NCCN2CCCCCC2)cn1 ZINC000578686080 484223173 /nfs/dbraw/zinc/22/31/73/484223173.db2.gz RFCHKYHPRLFODQ-HNNXBMFYSA-N 0 3 351.451 -0.568 20 0 FBADHN Cn1cc(C[C@@H](O)C(=O)NCC(=O)NCCN2CCCCCC2)cn1 ZINC000578686081 484222695 /nfs/dbraw/zinc/22/26/95/484222695.db2.gz RFCHKYHPRLFODQ-OAHLLOKOSA-N 0 3 351.451 -0.568 20 0 FBADHN COCCN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000578713983 484224740 /nfs/dbraw/zinc/22/47/40/484224740.db2.gz PUZJJGKXIIQFDB-BBRMVZONSA-N 0 3 351.451 -0.024 20 0 FBADHN COCCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000578713984 484224496 /nfs/dbraw/zinc/22/44/96/484224496.db2.gz PUZJJGKXIIQFDB-CJNGLKHVSA-N 0 3 351.451 -0.024 20 0 FBADHN COCCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000578713985 484224583 /nfs/dbraw/zinc/22/45/83/484224583.db2.gz PUZJJGKXIIQFDB-CZUORRHYSA-N 0 3 351.451 -0.024 20 0 FBADHN COCCN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000578713986 484224402 /nfs/dbraw/zinc/22/44/02/484224402.db2.gz PUZJJGKXIIQFDB-XJKSGUPXSA-N 0 3 351.451 -0.024 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CC(S(=O)(=O)CC)C2)CC1=O ZINC000578719766 484224730 /nfs/dbraw/zinc/22/47/30/484224730.db2.gz ZBZCATWOQQQKRC-KBPBESRZSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CC(S(=O)(=O)CC)C2)CC1=O ZINC000578719767 484225386 /nfs/dbraw/zinc/22/53/86/484225386.db2.gz ZBZCATWOQQQKRC-KGLIPLIRSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC(S(=O)(=O)CC)C2)CC1=O ZINC000578719768 484225176 /nfs/dbraw/zinc/22/51/76/484225176.db2.gz ZBZCATWOQQQKRC-UONOGXRCSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC(S(=O)(=O)CC)C2)CC1=O ZINC000578719769 484224264 /nfs/dbraw/zinc/22/42/64/484224264.db2.gz ZBZCATWOQQQKRC-ZIAGYGMSSA-N 0 3 371.503 -0.035 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1CCCCN1CCO ZINC000578725085 484224197 /nfs/dbraw/zinc/22/41/97/484224197.db2.gz HILQCIRVBYKHSN-CYBMUJFWSA-N 0 3 352.435 -0.186 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCCCN1CCO ZINC000578725086 484224470 /nfs/dbraw/zinc/22/44/70/484224470.db2.gz HILQCIRVBYKHSN-ZDUSSCGKSA-N 0 3 352.435 -0.186 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000578728944 484224641 /nfs/dbraw/zinc/22/46/41/484224641.db2.gz WYFTYFTXWMRFMU-AWEZNQCLSA-N 0 3 369.491 -0.279 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000578728945 484225235 /nfs/dbraw/zinc/22/52/35/484225235.db2.gz WYFTYFTXWMRFMU-CQSZACIVSA-N 0 3 369.491 -0.279 20 0 FBADHN O=C(NC[C@H]1CNCCO1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000578740646 484225211 /nfs/dbraw/zinc/22/52/11/484225211.db2.gz QLQSAKZLIVRQOK-CYBMUJFWSA-N 0 3 369.443 -0.574 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000578740647 484225148 /nfs/dbraw/zinc/22/51/48/484225148.db2.gz QLQSAKZLIVRQOK-ZDUSSCGKSA-N 0 3 369.443 -0.574 20 0 FBADHN O=C(NC1CNC1)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000578745585 484226677 /nfs/dbraw/zinc/22/66/77/484226677.db2.gz KYCISPFKVVOOIZ-UHFFFAOYSA-N 0 3 362.405 -0.232 20 0 FBADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CCO1 ZINC000578745704 484225875 /nfs/dbraw/zinc/22/58/75/484225875.db2.gz ZBWZOOXAOXOPCB-HZSPNIEDSA-N 0 3 357.451 -0.132 20 0 FBADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CCO1 ZINC000578745705 484226735 /nfs/dbraw/zinc/22/67/35/484226735.db2.gz ZBWZOOXAOXOPCB-IHRRRGAJSA-N 0 3 357.451 -0.132 20 0 FBADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CCO1 ZINC000578745706 484225793 /nfs/dbraw/zinc/22/57/93/484225793.db2.gz ZBWZOOXAOXOPCB-MELADBBJSA-N 0 3 357.451 -0.132 20 0 FBADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CCO1 ZINC000578745707 484226581 /nfs/dbraw/zinc/22/65/81/484226581.db2.gz ZBWZOOXAOXOPCB-RDBSUJKOSA-N 0 3 357.451 -0.132 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000578749065 484226278 /nfs/dbraw/zinc/22/62/78/484226278.db2.gz PFWIDISCYRXPKL-DZGCQCFKSA-N 0 3 359.430 -0.399 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000578749066 484226195 /nfs/dbraw/zinc/22/61/95/484226195.db2.gz PFWIDISCYRXPKL-HIFRSBDPSA-N 0 3 359.430 -0.399 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000578749067 484226414 /nfs/dbraw/zinc/22/64/14/484226414.db2.gz PFWIDISCYRXPKL-UKRRQHHQSA-N 0 3 359.430 -0.399 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000578749068 484226707 /nfs/dbraw/zinc/22/67/07/484226707.db2.gz PFWIDISCYRXPKL-ZFWWWQNUSA-N 0 3 359.430 -0.399 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H](C)O1 ZINC000578752557 484226691 /nfs/dbraw/zinc/22/66/91/484226691.db2.gz SVZCQYURROQIDJ-KBPBESRZSA-N 0 3 361.508 -0.231 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H](C)O1 ZINC000578752558 484226568 /nfs/dbraw/zinc/22/65/68/484226568.db2.gz SVZCQYURROQIDJ-OKILXGFUSA-N 0 3 361.508 -0.231 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@@H](C)O1 ZINC000578752559 484226120 /nfs/dbraw/zinc/22/61/20/484226120.db2.gz SVZCQYURROQIDJ-ZIAGYGMSSA-N 0 3 361.508 -0.231 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578766710 484226526 /nfs/dbraw/zinc/22/65/26/484226526.db2.gz FAOYXURBWNJHTD-BPQIPLTHSA-N 0 3 371.485 -0.033 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578766711 484226317 /nfs/dbraw/zinc/22/63/17/484226317.db2.gz FAOYXURBWNJHTD-KBAYOESNSA-N 0 3 371.485 -0.033 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578766712 484226852 /nfs/dbraw/zinc/22/68/52/484226852.db2.gz FAOYXURBWNJHTD-NJAFHUGGSA-N 0 3 371.485 -0.033 20 0 FBADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578766713 484226885 /nfs/dbraw/zinc/22/68/85/484226885.db2.gz FAOYXURBWNJHTD-NXHRZFHOSA-N 0 3 371.485 -0.033 20 0 FBADHN CNC(=O)c1cccc(OCC(=O)Nc2nc(N3CCNCC3)n[nH]2)c1 ZINC000578767234 484226254 /nfs/dbraw/zinc/22/62/54/484226254.db2.gz GWVDFZXMIPQQME-UHFFFAOYSA-N 0 3 359.390 -0.409 20 0 FBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000578768065 484226374 /nfs/dbraw/zinc/22/63/74/484226374.db2.gz MLRIVIBSTQLGGT-CABCVRRESA-N 0 3 360.414 -0.031 20 0 FBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000578768066 484226491 /nfs/dbraw/zinc/22/64/91/484226491.db2.gz MLRIVIBSTQLGGT-GJZGRUSLSA-N 0 3 360.414 -0.031 20 0 FBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000578768067 484226179 /nfs/dbraw/zinc/22/61/79/484226179.db2.gz MLRIVIBSTQLGGT-HUUCEWRRSA-N 0 3 360.414 -0.031 20 0 FBADHN COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000578768068 484225755 /nfs/dbraw/zinc/22/57/55/484225755.db2.gz MLRIVIBSTQLGGT-LSDHHAIUSA-N 0 3 360.414 -0.031 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000578768213 484226078 /nfs/dbraw/zinc/22/60/78/484226078.db2.gz UAAJUEPSGMCGSQ-CTMTWKAISA-N 0 3 374.485 -0.055 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000578768215 484226439 /nfs/dbraw/zinc/22/64/39/484226439.db2.gz UAAJUEPSGMCGSQ-RPGZULDISA-N 0 3 374.485 -0.055 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000578768217 484227703 /nfs/dbraw/zinc/22/77/03/484227703.db2.gz UAAJUEPSGMCGSQ-UGVCAESGSA-N 0 3 374.485 -0.055 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000578768218 484227934 /nfs/dbraw/zinc/22/79/34/484227934.db2.gz UAAJUEPSGMCGSQ-YDYZMUOZSA-N 0 3 374.485 -0.055 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000578775258 484228065 /nfs/dbraw/zinc/22/80/65/484228065.db2.gz NMPXBVGQYFJDPG-KRWDZBQOSA-N 0 3 366.393 -0.521 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000578775259 484228221 /nfs/dbraw/zinc/22/82/21/484228221.db2.gz NMPXBVGQYFJDPG-QGZVFWFLSA-N 0 3 366.393 -0.521 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000578780988 484228120 /nfs/dbraw/zinc/22/81/20/484228120.db2.gz UJSBXSKBDVGJEE-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000578780989 484228452 /nfs/dbraw/zinc/22/84/52/484228452.db2.gz UJSBXSKBDVGJEE-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000578780990 484227817 /nfs/dbraw/zinc/22/78/17/484227817.db2.gz UJSBXSKBDVGJEE-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000578780991 484227850 /nfs/dbraw/zinc/22/78/50/484227850.db2.gz UJSBXSKBDVGJEE-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H](C)C1 ZINC000578782918 484228170 /nfs/dbraw/zinc/22/81/70/484228170.db2.gz ZHQZERWNIHUIHC-GUTXKFCHSA-N 0 3 369.491 -0.113 20 0 FBADHN C[C@@H]1C[C@H]1N1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H](C)C1 ZINC000578782919 484227860 /nfs/dbraw/zinc/22/78/60/484227860.db2.gz ZHQZERWNIHUIHC-GZBFAFLISA-N 0 3 369.491 -0.113 20 0 FBADHN C[C@H]1C[C@H]1N1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H](C)C1 ZINC000578782920 484227636 /nfs/dbraw/zinc/22/76/36/484227636.db2.gz ZHQZERWNIHUIHC-KCQAQPDRSA-N 0 3 369.491 -0.113 20 0 FBADHN C[C@H]1C[C@@H]1N1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H](C)C1 ZINC000578782921 484227922 /nfs/dbraw/zinc/22/79/22/484227922.db2.gz ZHQZERWNIHUIHC-YDHLFZDLSA-N 0 3 369.491 -0.113 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000578786982 484228514 /nfs/dbraw/zinc/22/85/14/484228514.db2.gz JFGIGHRMHHFYMN-SRCQZFHVSA-N 0 3 364.450 -0.552 20 0 FBADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000578786983 484227414 /nfs/dbraw/zinc/22/74/14/484227414.db2.gz JFGIGHRMHHFYMN-VMGRFDJRSA-N 0 3 364.450 -0.552 20 0 FBADHN Cn1cnc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc21 ZINC000578788405 484228083 /nfs/dbraw/zinc/22/80/83/484228083.db2.gz YIDADYQZUAHGNM-NEPJUHHUSA-N 0 3 356.386 -0.718 20 0 FBADHN Cn1cnc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc21 ZINC000578788406 484227454 /nfs/dbraw/zinc/22/74/54/484227454.db2.gz YIDADYQZUAHGNM-NWDGAFQWSA-N 0 3 356.386 -0.718 20 0 FBADHN Cn1cnc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ccc21 ZINC000578788407 484227784 /nfs/dbraw/zinc/22/77/84/484227784.db2.gz YIDADYQZUAHGNM-RYUDHWBXSA-N 0 3 356.386 -0.718 20 0 FBADHN Cn1cnc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc21 ZINC000578788408 484227870 /nfs/dbraw/zinc/22/78/70/484227870.db2.gz YIDADYQZUAHGNM-VXGBXAGGSA-N 0 3 356.386 -0.718 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCN2CCSCC2)CCCO1 ZINC000578791982 484227517 /nfs/dbraw/zinc/22/75/17/484227517.db2.gz CBSSXIZFGMWVEX-HNNXBMFYSA-N 0 3 372.535 -0.232 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCN2CCSCC2)CCCO1 ZINC000578791983 484227779 /nfs/dbraw/zinc/22/77/79/484227779.db2.gz CBSSXIZFGMWVEX-OAHLLOKOSA-N 0 3 372.535 -0.232 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000578794186 484227493 /nfs/dbraw/zinc/22/74/93/484227493.db2.gz ZQMSIBYTMWXXPY-HNNXBMFYSA-N 0 3 367.494 -0.743 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000578794187 484227482 /nfs/dbraw/zinc/22/74/82/484227482.db2.gz ZQMSIBYTMWXXPY-OAHLLOKOSA-N 0 3 367.494 -0.743 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000578795259 484229628 /nfs/dbraw/zinc/22/96/28/484229628.db2.gz ZJRIXWUZQJPXBU-KBXCAEBGSA-N 0 3 367.494 -0.900 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CC1 ZINC000578795260 484230129 /nfs/dbraw/zinc/23/01/29/484230129.db2.gz ZJRIXWUZQJPXBU-KDOFPFPSSA-N 0 3 367.494 -0.900 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CC1 ZINC000578795261 484230086 /nfs/dbraw/zinc/23/00/86/484230086.db2.gz ZJRIXWUZQJPXBU-KSSFIOAISA-N 0 3 367.494 -0.900 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000578795262 484228996 /nfs/dbraw/zinc/22/89/96/484228996.db2.gz ZJRIXWUZQJPXBU-RDTXWAMCSA-N 0 3 367.494 -0.900 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCCc2nnc3ccccn32)n1 ZINC000578800812 484229767 /nfs/dbraw/zinc/22/97/67/484229767.db2.gz ZYHVLLPKSGPUIB-UHFFFAOYSA-N 0 3 371.449 -0.551 20 0 FBADHN COCCN(C(=O)CN[C@@H](CO)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000578805337 484229739 /nfs/dbraw/zinc/22/97/39/484229739.db2.gz JILFPYUHQAWFCR-CABCVRRESA-N 0 3 362.492 -0.211 20 0 FBADHN COCCN(C(=O)CN[C@@H](CO)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000578805338 484229392 /nfs/dbraw/zinc/22/93/92/484229392.db2.gz JILFPYUHQAWFCR-GJZGRUSLSA-N 0 3 362.492 -0.211 20 0 FBADHN COCCN(C(=O)CN[C@H](CO)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000578805339 484229661 /nfs/dbraw/zinc/22/96/61/484229661.db2.gz JILFPYUHQAWFCR-HUUCEWRRSA-N 0 3 362.492 -0.211 20 0 FBADHN COCCN(C(=O)CN[C@H](CO)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000578805340 484229478 /nfs/dbraw/zinc/22/94/78/484229478.db2.gz JILFPYUHQAWFCR-LSDHHAIUSA-N 0 3 362.492 -0.211 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000578807608 484229267 /nfs/dbraw/zinc/22/92/67/484229267.db2.gz WDRHCLZJFMVQFS-AWEZNQCLSA-N 0 3 370.475 -0.071 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000578807609 484229011 /nfs/dbraw/zinc/22/90/11/484229011.db2.gz WDRHCLZJFMVQFS-CQSZACIVSA-N 0 3 370.475 -0.071 20 0 FBADHN CCS(=O)(=O)NCCNC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000578860133 484231182 /nfs/dbraw/zinc/23/11/82/484231182.db2.gz NPPOLLVFWLXGLK-LLVKDONJSA-N 0 3 355.416 -0.828 20 0 FBADHN CCS(=O)(=O)NCCNC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000578860141 484230504 /nfs/dbraw/zinc/23/05/04/484230504.db2.gz NPPOLLVFWLXGLK-NSHDSACASA-N 0 3 355.416 -0.828 20 0 FBADHN CC[C@H](NC(=O)C(=O)NC1CNC1)c1ccccc1OCC(=O)N(C)C ZINC000578865377 484230678 /nfs/dbraw/zinc/23/06/78/484230678.db2.gz MVHRMHWGEXTYMZ-AWEZNQCLSA-N 0 3 362.430 -0.191 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NC1CNC1)c1ccccc1OCC(=O)N(C)C ZINC000578865378 484231056 /nfs/dbraw/zinc/23/10/56/484231056.db2.gz MVHRMHWGEXTYMZ-CQSZACIVSA-N 0 3 362.430 -0.191 20 0 FBADHN O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)NC2C[NH2+]C2)cc1 ZINC000578866421 484231301 /nfs/dbraw/zinc/23/13/01/484231301.db2.gz MQCQXSIIJAAIFM-UHFFFAOYSA-N 0 3 373.378 -0.223 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000578867783 484231579 /nfs/dbraw/zinc/23/15/79/484231579.db2.gz CBAUWJNHEXIQGE-ILXRZTDVSA-N 0 3 351.403 -0.024 20 0 FBADHN CCC[C@H](O)[C@@H](CO)NC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000578867784 484230474 /nfs/dbraw/zinc/23/04/74/484230474.db2.gz CBAUWJNHEXIQGE-KFWWJZLASA-N 0 3 351.403 -0.024 20 0 FBADHN CCC[C@H](O)[C@H](CO)NC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000578867785 484231493 /nfs/dbraw/zinc/23/14/93/484231493.db2.gz CBAUWJNHEXIQGE-KKUMJFAQSA-N 0 3 351.403 -0.024 20 0 FBADHN CCC[C@H](O)[C@@H](CO)NC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000578867786 484230579 /nfs/dbraw/zinc/23/05/79/484230579.db2.gz CBAUWJNHEXIQGE-ZNMIVQPWSA-N 0 3 351.403 -0.024 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)C1=O ZINC000578868793 484231605 /nfs/dbraw/zinc/23/16/05/484231605.db2.gz CPOIPLVJIZCNQY-HNNXBMFYSA-N 0 3 368.478 -0.319 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)C1=O ZINC000578868794 484230653 /nfs/dbraw/zinc/23/06/53/484230653.db2.gz CPOIPLVJIZCNQY-OAHLLOKOSA-N 0 3 368.478 -0.319 20 0 FBADHN CC(C)c1nnnn1CC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000578869317 484230567 /nfs/dbraw/zinc/23/05/67/484230567.db2.gz WKMVWOKQFWZALA-UHFFFAOYSA-N 0 3 351.455 -0.095 20 0 FBADHN NC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCCCC2)ccc1=O ZINC000578873994 484232008 /nfs/dbraw/zinc/23/20/08/484232008.db2.gz NFLIIGFQANBSCC-UHFFFAOYSA-N 0 3 363.418 -0.736 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000578875537 484232753 /nfs/dbraw/zinc/23/27/53/484232753.db2.gz ULNLNJMTWFTCTJ-CYBMUJFWSA-N 0 3 362.496 -0.564 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)Cn2nnc3c2CCCC3)cn1 ZINC000578882145 484232408 /nfs/dbraw/zinc/23/24/08/484232408.db2.gz XOGGDKZWIQLXFF-UHFFFAOYSA-N 0 3 374.449 -0.330 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000578883649 484232797 /nfs/dbraw/zinc/23/27/97/484232797.db2.gz ATBSYQPAMIESTQ-AAEUAGOBSA-N 0 3 364.377 -0.067 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000578883650 484232884 /nfs/dbraw/zinc/23/28/84/484232884.db2.gz ATBSYQPAMIESTQ-DGCLKSJQSA-N 0 3 364.377 -0.067 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000578883651 484233206 /nfs/dbraw/zinc/23/32/06/484233206.db2.gz ATBSYQPAMIESTQ-WCQYABFASA-N 0 3 364.377 -0.067 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000578883652 484232081 /nfs/dbraw/zinc/23/20/81/484232081.db2.gz ATBSYQPAMIESTQ-YPMHNXCESA-N 0 3 364.377 -0.067 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4=O)CCN2C1=O ZINC000578883975 484232822 /nfs/dbraw/zinc/23/28/22/484232822.db2.gz HRUIBNSRELOZHR-BXKDBHETSA-N 0 3 361.377 -0.113 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4=O)CCN2C1=O ZINC000578883979 484232103 /nfs/dbraw/zinc/23/21/03/484232103.db2.gz HRUIBNSRELOZHR-CABZTGNLSA-N 0 3 361.377 -0.113 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4=O)CCN2C1=O ZINC000578883980 484232918 /nfs/dbraw/zinc/23/29/18/484232918.db2.gz HRUIBNSRELOZHR-JOYOIKCWSA-N 0 3 361.377 -0.113 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4=O)CCN2C1=O ZINC000578883982 484232462 /nfs/dbraw/zinc/23/24/62/484232462.db2.gz HRUIBNSRELOZHR-SKDRFNHKSA-N 0 3 361.377 -0.113 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc4[nH]ccc43)CCN2C1=O ZINC000578884067 484233071 /nfs/dbraw/zinc/23/30/71/484233071.db2.gz DPJQWWPJHANPKE-DZGCQCFKSA-N 0 3 369.425 -0.403 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc4[nH]ccc43)CCN2C1=O ZINC000578884069 484232116 /nfs/dbraw/zinc/23/21/16/484232116.db2.gz DPJQWWPJHANPKE-HIFRSBDPSA-N 0 3 369.425 -0.403 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc4[nH]ccc43)CCN2C1=O ZINC000578884073 484232687 /nfs/dbraw/zinc/23/26/87/484232687.db2.gz DPJQWWPJHANPKE-UKRRQHHQSA-N 0 3 369.425 -0.403 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc4[nH]ccc43)CCN2C1=O ZINC000578884076 484232258 /nfs/dbraw/zinc/23/22/58/484232258.db2.gz DPJQWWPJHANPKE-ZFWWWQNUSA-N 0 3 369.425 -0.403 20 0 FBADHN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578884984 484232442 /nfs/dbraw/zinc/23/24/42/484232442.db2.gz YWKZRRBYDTXYIJ-NEPJUHHUSA-N 0 3 356.386 -0.420 20 0 FBADHN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578884985 484232551 /nfs/dbraw/zinc/23/25/51/484232551.db2.gz YWKZRRBYDTXYIJ-NWDGAFQWSA-N 0 3 356.386 -0.420 20 0 FBADHN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578884986 484232529 /nfs/dbraw/zinc/23/25/29/484232529.db2.gz YWKZRRBYDTXYIJ-RYUDHWBXSA-N 0 3 356.386 -0.420 20 0 FBADHN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578884987 484232663 /nfs/dbraw/zinc/23/26/63/484232663.db2.gz YWKZRRBYDTXYIJ-VXGBXAGGSA-N 0 3 356.386 -0.420 20 0 FBADHN O=C(CCN1C(=O)COc2ccccc21)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578889674 484233151 /nfs/dbraw/zinc/23/31/51/484233151.db2.gz VNEUAPPMERHQGA-UHFFFAOYSA-N 0 3 371.401 -0.032 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000578893014 484232326 /nfs/dbraw/zinc/23/23/26/484232326.db2.gz NSPZJCRVHWAYFX-ZIAGYGMSSA-N 0 3 354.476 -0.237 20 0 FBADHN O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1CCn2ncnc2C1 ZINC000578900023 484234511 /nfs/dbraw/zinc/23/45/11/484234511.db2.gz MECDOBGORUCGGB-UHFFFAOYSA-N 0 3 362.434 -0.619 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000578909228 484234207 /nfs/dbraw/zinc/23/42/07/484234207.db2.gz IVQCSQWSASDVDF-CABCVRRESA-N 0 3 359.430 -0.991 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000578909234 484233610 /nfs/dbraw/zinc/23/36/10/484233610.db2.gz IVQCSQWSASDVDF-GJZGRUSLSA-N 0 3 359.430 -0.991 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000578909235 484233908 /nfs/dbraw/zinc/23/39/08/484233908.db2.gz IVQCSQWSASDVDF-HUUCEWRRSA-N 0 3 359.430 -0.991 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000578909237 484233660 /nfs/dbraw/zinc/23/36/60/484233660.db2.gz IVQCSQWSASDVDF-LSDHHAIUSA-N 0 3 359.430 -0.991 20 0 FBADHN CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000578909352 484233922 /nfs/dbraw/zinc/23/39/22/484233922.db2.gz KCMYGFVMWUKLST-GDBMZVCRSA-N 0 3 374.441 -0.140 20 0 FBADHN CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000578909354 484234567 /nfs/dbraw/zinc/23/45/67/484234567.db2.gz KCMYGFVMWUKLST-GOEBONIOSA-N 0 3 374.441 -0.140 20 0 FBADHN CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000578909355 484234548 /nfs/dbraw/zinc/23/45/48/484234548.db2.gz KCMYGFVMWUKLST-HOCLYGCPSA-N 0 3 374.441 -0.140 20 0 FBADHN CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000578909356 484233861 /nfs/dbraw/zinc/23/38/61/484233861.db2.gz KCMYGFVMWUKLST-ZBFHGGJFSA-N 0 3 374.441 -0.140 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3nnc(CC(F)(F)F)s3)CCN2C1=O ZINC000578909383 484211235 /nfs/dbraw/zinc/21/12/35/484211235.db2.gz KVXCNSDWNFWBGD-BQBZGAKWSA-N 0 3 364.353 0.419 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3nnc(CC(F)(F)F)s3)CCN2C1=O ZINC000578909392 484210984 /nfs/dbraw/zinc/21/09/84/484210984.db2.gz KVXCNSDWNFWBGD-NKWVEPMBSA-N 0 3 364.353 0.419 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3nnc(CC(F)(F)F)s3)CCN2C1=O ZINC000578909396 484211185 /nfs/dbraw/zinc/21/11/85/484211185.db2.gz KVXCNSDWNFWBGD-RNFRBKRXSA-N 0 3 364.353 0.419 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3nnc(CC(F)(F)F)s3)CCN2C1=O ZINC000578909707 484210487 /nfs/dbraw/zinc/21/04/87/484210487.db2.gz KVXCNSDWNFWBGD-RQJHMYQMSA-N 0 3 364.353 0.419 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCNC(=O)c3ccccc3)CCN2C1=O ZINC000578910552 484234192 /nfs/dbraw/zinc/23/41/92/484234192.db2.gz QWQUZHWGQMIAAV-CABCVRRESA-N 0 3 359.430 -0.240 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCNC(=O)c3ccccc3)CCN2C1=O ZINC000578910555 484234256 /nfs/dbraw/zinc/23/42/56/484234256.db2.gz QWQUZHWGQMIAAV-GJZGRUSLSA-N 0 3 359.430 -0.240 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCNC(=O)c3ccccc3)CCN2C1=O ZINC000578910556 484234034 /nfs/dbraw/zinc/23/40/34/484234034.db2.gz QWQUZHWGQMIAAV-HUUCEWRRSA-N 0 3 359.430 -0.240 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCNC(=O)c3ccccc3)CCN2C1=O ZINC000578910557 484234069 /nfs/dbraw/zinc/23/40/69/484234069.db2.gz QWQUZHWGQMIAAV-LSDHHAIUSA-N 0 3 359.430 -0.240 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)cn1 ZINC000578911042 484234241 /nfs/dbraw/zinc/23/42/41/484234241.db2.gz UGRDSRUZSMPJPH-CYBMUJFWSA-N 0 3 364.450 -0.196 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)cn1 ZINC000578911046 484234337 /nfs/dbraw/zinc/23/43/37/484234337.db2.gz UGRDSRUZSMPJPH-ZDUSSCGKSA-N 0 3 364.450 -0.196 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000578920379 484233645 /nfs/dbraw/zinc/23/36/45/484233645.db2.gz CPLDGWLBJGGGQD-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCNc1cc[nH+]cc1 ZINC000578940840 484235350 /nfs/dbraw/zinc/23/53/50/484235350.db2.gz LVASZLPBJIWMMZ-UHFFFAOYSA-N 0 3 353.404 -0.385 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000578944839 484236251 /nfs/dbraw/zinc/23/62/51/484236251.db2.gz YOMJIISSPBBNEV-BEFAXECRSA-N 0 3 372.473 -0.060 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000578944840 484236106 /nfs/dbraw/zinc/23/61/06/484236106.db2.gz YOMJIISSPBBNEV-DNVCBOLYSA-N 0 3 372.473 -0.060 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000578944841 484235837 /nfs/dbraw/zinc/23/58/37/484235837.db2.gz YOMJIISSPBBNEV-HNAYVOBHSA-N 0 3 372.473 -0.060 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000578944842 484236134 /nfs/dbraw/zinc/23/61/34/484236134.db2.gz YOMJIISSPBBNEV-KXBFYZLASA-N 0 3 372.473 -0.060 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000578973060 484235901 /nfs/dbraw/zinc/23/59/01/484235901.db2.gz BWGNABKXJZQEQO-XHSDSOJGSA-N 0 3 352.479 -0.403 20 0 FBADHN COCCN(C)CCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000578973956 484237642 /nfs/dbraw/zinc/23/76/42/484237642.db2.gz XLDQSFITHSQQIW-UHFFFAOYSA-N 0 3 356.467 -0.996 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000578977022 484236787 /nfs/dbraw/zinc/23/67/87/484236787.db2.gz YCLQWAQEZAXLMQ-KRWDZBQOSA-N 0 3 356.511 -0.444 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000578977023 484236825 /nfs/dbraw/zinc/23/68/25/484236825.db2.gz YCLQWAQEZAXLMQ-QGZVFWFLSA-N 0 3 356.511 -0.444 20 0 FBADHN CC1(C)CCCN[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000578978899 484236977 /nfs/dbraw/zinc/23/69/77/484236977.db2.gz NQBWZXNGWFAYNZ-AWEZNQCLSA-N 0 3 374.507 -0.514 20 0 FBADHN CC1(C)CCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000578978900 484237652 /nfs/dbraw/zinc/23/76/52/484237652.db2.gz NQBWZXNGWFAYNZ-CQSZACIVSA-N 0 3 374.507 -0.514 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCOCC1)CN1CCOCC1 ZINC000578984657 484237588 /nfs/dbraw/zinc/23/75/88/484237588.db2.gz JXARCCCTVNGNCY-IYBDPMFKSA-N 0 3 370.494 -0.845 20 0 FBADHN N[C@H](CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 ZINC000578985438 484237039 /nfs/dbraw/zinc/23/70/39/484237039.db2.gz CPRIOOMFIHIQGI-BZUAXINKSA-N 0 3 367.471 -0.621 20 0 FBADHN N[C@H](CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 ZINC000578985441 484237547 /nfs/dbraw/zinc/23/75/47/484237547.db2.gz CPRIOOMFIHIQGI-OAGGEKHMSA-N 0 3 367.471 -0.621 20 0 FBADHN N[C@H](CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 ZINC000578985442 484237576 /nfs/dbraw/zinc/23/75/76/484237576.db2.gz CPRIOOMFIHIQGI-OWCLPIDISA-N 0 3 367.471 -0.621 20 0 FBADHN N[C@H](CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 ZINC000578985443 484237317 /nfs/dbraw/zinc/23/73/17/484237317.db2.gz CPRIOOMFIHIQGI-PMPSAXMXSA-N 0 3 367.471 -0.621 20 0 FBADHN CNC(=O)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)Cc1ccc(F)cc1C ZINC000578989489 484237180 /nfs/dbraw/zinc/23/71/80/484237180.db2.gz ZJZVFYPWVPUJSJ-GXTWGEPZSA-N 0 3 366.437 -0.039 20 0 FBADHN CNC(=O)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)Cc1ccc(F)cc1C ZINC000578989493 484237404 /nfs/dbraw/zinc/23/74/04/484237404.db2.gz ZJZVFYPWVPUJSJ-JSGCOSHPSA-N 0 3 366.437 -0.039 20 0 FBADHN CNC(=O)[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)Cc1ccc(F)cc1C ZINC000578989494 484237027 /nfs/dbraw/zinc/23/70/27/484237027.db2.gz ZJZVFYPWVPUJSJ-OCCSQVGLSA-N 0 3 366.437 -0.039 20 0 FBADHN CNC(=O)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)CN)Cc1ccc(F)cc1C ZINC000578989495 484237100 /nfs/dbraw/zinc/23/71/00/484237100.db2.gz ZJZVFYPWVPUJSJ-TZMCWYRMSA-N 0 3 366.437 -0.039 20 0 FBADHN CN(C[C@@H](O)CNCc1ccccc1S(=O)(=O)N(C)CCO)C1CC1 ZINC000578996541 484238515 /nfs/dbraw/zinc/23/85/15/484238515.db2.gz PUEMSTCAXORSMV-INIZCTEOSA-N 0 3 371.503 -0.156 20 0 FBADHN CN(C[C@H](O)CNCc1ccccc1S(=O)(=O)N(C)CCO)C1CC1 ZINC000578996542 484238859 /nfs/dbraw/zinc/23/88/59/484238859.db2.gz PUEMSTCAXORSMV-MRXNPFEDSA-N 0 3 371.503 -0.156 20 0 FBADHN CS(=O)(=O)c1ccc(OCCNC[C@H](O)CN2CCOCC2)cc1 ZINC000578998262 484238940 /nfs/dbraw/zinc/23/89/40/484238940.db2.gz QCOWUQCQFIBYIE-AWEZNQCLSA-N 0 3 358.460 -0.248 20 0 FBADHN CS(=O)(=O)c1ccc(OCCNC[C@@H](O)CN2CCOCC2)cc1 ZINC000578998263 484238312 /nfs/dbraw/zinc/23/83/12/484238312.db2.gz QCOWUQCQFIBYIE-CQSZACIVSA-N 0 3 358.460 -0.248 20 0 FBADHN Cc1ccccc1[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)NC(N)=O ZINC000579004985 484238924 /nfs/dbraw/zinc/23/89/24/484238924.db2.gz BSSQIUXIEZQOCE-CFVMTHIKSA-N 0 3 359.430 -0.135 20 0 FBADHN Cc1ccccc1[C@H](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)NC(N)=O ZINC000579004986 484239354 /nfs/dbraw/zinc/23/93/54/484239354.db2.gz BSSQIUXIEZQOCE-QEJZJMRPSA-N 0 3 359.430 -0.135 20 0 FBADHN Cc1ccccc1[C@H](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)NC(N)=O ZINC000579004987 484239368 /nfs/dbraw/zinc/23/93/68/484239368.db2.gz BSSQIUXIEZQOCE-SNPRPXQTSA-N 0 3 359.430 -0.135 20 0 FBADHN Cc1ccccc1[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)NC(N)=O ZINC000579004988 484238655 /nfs/dbraw/zinc/23/86/55/484238655.db2.gz BSSQIUXIEZQOCE-YUELXQCFSA-N 0 3 359.430 -0.135 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000579006083 484239307 /nfs/dbraw/zinc/23/93/07/484239307.db2.gz KZGDEDPLTBHJHT-KBPBESRZSA-N 0 3 360.414 -0.036 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000579006085 484238297 /nfs/dbraw/zinc/23/82/97/484238297.db2.gz KZGDEDPLTBHJHT-KGLIPLIRSA-N 0 3 360.414 -0.036 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000579006086 484238491 /nfs/dbraw/zinc/23/84/91/484238491.db2.gz KZGDEDPLTBHJHT-UONOGXRCSA-N 0 3 360.414 -0.036 20 0 FBADHN COC(=O)c1ccc(C)c(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000579006087 484239190 /nfs/dbraw/zinc/23/91/90/484239190.db2.gz KZGDEDPLTBHJHT-ZIAGYGMSSA-N 0 3 360.414 -0.036 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579007466 484239215 /nfs/dbraw/zinc/23/92/15/484239215.db2.gz OMNGSSUODZJEMW-BARDWOONSA-N 0 3 366.462 -0.532 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579007467 484238675 /nfs/dbraw/zinc/23/86/75/484238675.db2.gz OMNGSSUODZJEMW-KBXIAJHMSA-N 0 3 366.462 -0.532 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579007468 484238602 /nfs/dbraw/zinc/23/86/02/484238602.db2.gz OMNGSSUODZJEMW-QPSCCSFWSA-N 0 3 366.462 -0.532 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579007469 484238664 /nfs/dbraw/zinc/23/86/64/484238664.db2.gz OMNGSSUODZJEMW-TUVASFSCSA-N 0 3 366.462 -0.532 20 0 FBADHN CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCO1 ZINC000579007488 484239468 /nfs/dbraw/zinc/23/94/68/484239468.db2.gz PHFXQFLSTWENQC-MQYQWHSLSA-N 0 3 366.462 -0.533 20 0 FBADHN CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCO1 ZINC000579007489 484239150 /nfs/dbraw/zinc/23/91/50/484239150.db2.gz PHFXQFLSTWENQC-RFGFWPKPSA-N 0 3 366.462 -0.533 20 0 FBADHN CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO1 ZINC000579007490 484238971 /nfs/dbraw/zinc/23/89/71/484238971.db2.gz PHFXQFLSTWENQC-RQJABVFESA-N 0 3 366.462 -0.533 20 0 FBADHN CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO1 ZINC000579007491 484238326 /nfs/dbraw/zinc/23/83/26/484238326.db2.gz PHFXQFLSTWENQC-SYQHCUMBSA-N 0 3 366.462 -0.533 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000579008697 484238590 /nfs/dbraw/zinc/23/85/90/484238590.db2.gz BCSMVUDNRMZZCE-BBRMVZONSA-N 0 3 373.457 -0.022 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000579008698 484238386 /nfs/dbraw/zinc/23/83/86/484238386.db2.gz BCSMVUDNRMZZCE-CJNGLKHVSA-N 0 3 373.457 -0.022 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000579008699 484238779 /nfs/dbraw/zinc/23/87/79/484238779.db2.gz BCSMVUDNRMZZCE-CZUORRHYSA-N 0 3 373.457 -0.022 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000579008700 484238893 /nfs/dbraw/zinc/23/88/93/484238893.db2.gz BCSMVUDNRMZZCE-XJKSGUPXSA-N 0 3 373.457 -0.022 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)[C@@H](C)[NH3+])s1 ZINC000579008813 484238268 /nfs/dbraw/zinc/23/82/68/484238268.db2.gz ZEHKFTCDRCEULI-BDAKNGLRSA-N 0 3 362.477 -0.486 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C)[C@H](C)[NH3+])s1 ZINC000579008814 484238612 /nfs/dbraw/zinc/23/86/12/484238612.db2.gz ZEHKFTCDRCEULI-DTWKUNHWSA-N 0 3 362.477 -0.486 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)[C@H](C)[NH3+])s1 ZINC000579008815 484238427 /nfs/dbraw/zinc/23/84/27/484238427.db2.gz ZEHKFTCDRCEULI-IUCAKERBSA-N 0 3 362.477 -0.486 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C)[C@@H](C)[NH3+])s1 ZINC000579008816 484239127 /nfs/dbraw/zinc/23/91/27/484239127.db2.gz ZEHKFTCDRCEULI-RKDXNWHRSA-N 0 3 362.477 -0.486 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCNC[C@@](C)(F)C2)CC1 ZINC000579014250 484238341 /nfs/dbraw/zinc/23/83/41/484238341.db2.gz PPJUANACDLNEAI-GOSISDBHSA-N 0 3 371.501 -0.321 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCNC[C@](C)(F)C2)CC1 ZINC000579014251 484238817 /nfs/dbraw/zinc/23/88/17/484238817.db2.gz PPJUANACDLNEAI-SFHVURJKSA-N 0 3 371.501 -0.321 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000579025934 484241136 /nfs/dbraw/zinc/24/11/36/484241136.db2.gz NGZDOQPFLJQDJU-CMPLNLGQSA-N 0 3 372.472 -0.683 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000579025935 484240547 /nfs/dbraw/zinc/24/05/47/484240547.db2.gz NGZDOQPFLJQDJU-JQWIXIFHSA-N 0 3 372.472 -0.683 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000579025936 484241250 /nfs/dbraw/zinc/24/12/50/484241250.db2.gz NGZDOQPFLJQDJU-PWSUYJOCSA-N 0 3 372.472 -0.683 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000579025937 484241086 /nfs/dbraw/zinc/24/10/86/484241086.db2.gz NGZDOQPFLJQDJU-ZYHUDNBSSA-N 0 3 372.472 -0.683 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000579037905 484240996 /nfs/dbraw/zinc/24/09/96/484240996.db2.gz BOFYZNVQUVSCAY-GDBMZVCRSA-N 0 3 351.495 -0.519 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000579037907 484240721 /nfs/dbraw/zinc/24/07/21/484240721.db2.gz BOFYZNVQUVSCAY-GOEBONIOSA-N 0 3 351.495 -0.519 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000579037908 484240167 /nfs/dbraw/zinc/24/01/67/484240167.db2.gz BOFYZNVQUVSCAY-HOCLYGCPSA-N 0 3 351.495 -0.519 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000579037909 484240931 /nfs/dbraw/zinc/24/09/31/484240931.db2.gz BOFYZNVQUVSCAY-ZBFHGGJFSA-N 0 3 351.495 -0.519 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000579063079 484241997 /nfs/dbraw/zinc/24/19/97/484241997.db2.gz ZVTKKLMPWGSVAX-UHFFFAOYSA-N 0 3 350.375 -0.350 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000579083524 484242724 /nfs/dbraw/zinc/24/27/24/484242724.db2.gz NHYZHBGFUCVMKX-KBXCAEBGSA-N 0 3 369.462 -0.428 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000579083525 484241657 /nfs/dbraw/zinc/24/16/57/484241657.db2.gz NHYZHBGFUCVMKX-KDOFPFPSSA-N 0 3 369.462 -0.428 20 0 FBADHN CN(C)C[C@H]1CN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000579083526 484242361 /nfs/dbraw/zinc/24/23/61/484242361.db2.gz NHYZHBGFUCVMKX-KSSFIOAISA-N 0 3 369.462 -0.428 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000579083527 484242074 /nfs/dbraw/zinc/24/20/74/484242074.db2.gz NHYZHBGFUCVMKX-RDTXWAMCSA-N 0 3 369.462 -0.428 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000579083787 484241847 /nfs/dbraw/zinc/24/18/47/484241847.db2.gz SPBASCDTIKZOQF-KBPBESRZSA-N 0 3 374.507 -0.532 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000579083788 484242241 /nfs/dbraw/zinc/24/22/41/484242241.db2.gz SPBASCDTIKZOQF-KGLIPLIRSA-N 0 3 374.507 -0.532 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000579083789 484242266 /nfs/dbraw/zinc/24/22/66/484242266.db2.gz SPBASCDTIKZOQF-UONOGXRCSA-N 0 3 374.507 -0.532 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000579083790 484242203 /nfs/dbraw/zinc/24/22/03/484242203.db2.gz SPBASCDTIKZOQF-ZIAGYGMSSA-N 0 3 374.507 -0.532 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000579094217 484242491 /nfs/dbraw/zinc/24/24/91/484242491.db2.gz NQDCGMXVQLYBRV-GFCCVEGCSA-N 0 3 369.491 -0.207 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000579094218 484242041 /nfs/dbraw/zinc/24/20/41/484242041.db2.gz NQDCGMXVQLYBRV-LBPRGKRZSA-N 0 3 369.491 -0.207 20 0 FBADHN COc1cnccc1N1CCN(C(=O)NCC(=O)N2CCNCC2)CC1 ZINC000579098199 484242293 /nfs/dbraw/zinc/24/22/93/484242293.db2.gz JQCBTXOJPVTNCT-UHFFFAOYSA-N 0 3 362.434 -0.646 20 0 FBADHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000579102601 484243517 /nfs/dbraw/zinc/24/35/17/484243517.db2.gz KENCJCVOGGTDNP-COPLHBTASA-N 0 3 352.412 -0.334 20 0 FBADHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000579102604 484243212 /nfs/dbraw/zinc/24/32/12/484243212.db2.gz KENCJCVOGGTDNP-MISXGVKJSA-N 0 3 352.412 -0.334 20 0 FBADHN NC[C@H](NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C1CC1 ZINC000579109920 484244079 /nfs/dbraw/zinc/24/40/79/484244079.db2.gz YZILGFZXWOBDRR-NEPJUHHUSA-N 0 3 367.427 -0.809 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1)C1CC1 ZINC000579109930 484243965 /nfs/dbraw/zinc/24/39/65/484243965.db2.gz YZILGFZXWOBDRR-NWDGAFQWSA-N 0 3 367.427 -0.809 20 0 FBADHN NC[C@H](NC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1)C1CC1 ZINC000579109933 484243816 /nfs/dbraw/zinc/24/38/16/484243816.db2.gz YZILGFZXWOBDRR-RYUDHWBXSA-N 0 3 367.427 -0.809 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C1CC1 ZINC000579109936 484243727 /nfs/dbraw/zinc/24/37/27/484243727.db2.gz YZILGFZXWOBDRR-VXGBXAGGSA-N 0 3 367.427 -0.809 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000579124329 484243336 /nfs/dbraw/zinc/24/33/36/484243336.db2.gz KQFCOPACJHVGRJ-LLVKDONJSA-N 0 3 356.404 -0.528 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000579124330 484244346 /nfs/dbraw/zinc/24/43/46/484244346.db2.gz KQFCOPACJHVGRJ-NSHDSACASA-N 0 3 356.404 -0.528 20 0 FBADHN CC1(C)Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2O1 ZINC000579128528 484243316 /nfs/dbraw/zinc/24/33/16/484243316.db2.gz BILSQSPXXXDDLG-NEPJUHHUSA-N 0 3 374.397 -0.097 20 0 FBADHN CC1(C)Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2O1 ZINC000579128535 484246120 /nfs/dbraw/zinc/24/61/20/484246120.db2.gz BILSQSPXXXDDLG-NWDGAFQWSA-N 0 3 374.397 -0.097 20 0 FBADHN CC1(C)Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2O1 ZINC000579128539 484245509 /nfs/dbraw/zinc/24/55/09/484245509.db2.gz BILSQSPXXXDDLG-RYUDHWBXSA-N 0 3 374.397 -0.097 20 0 FBADHN CC1(C)Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2O1 ZINC000579128542 484244945 /nfs/dbraw/zinc/24/49/45/484244945.db2.gz BILSQSPXXXDDLG-VXGBXAGGSA-N 0 3 374.397 -0.097 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000579130667 484244852 /nfs/dbraw/zinc/24/48/52/484244852.db2.gz QXFMENULTVSVMN-DZGCQCFKSA-N 0 3 350.394 -0.436 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000579130668 484245737 /nfs/dbraw/zinc/24/57/37/484245737.db2.gz QXFMENULTVSVMN-HIFRSBDPSA-N 0 3 350.394 -0.436 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000579130670 484245004 /nfs/dbraw/zinc/24/50/04/484245004.db2.gz QXFMENULTVSVMN-UKRRQHHQSA-N 0 3 350.394 -0.436 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000579130673 484245538 /nfs/dbraw/zinc/24/55/38/484245538.db2.gz QXFMENULTVSVMN-ZFWWWQNUSA-N 0 3 350.394 -0.436 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3Cn3cncn3)CCN2C1=O ZINC000579131046 484245022 /nfs/dbraw/zinc/24/50/22/484245022.db2.gz XTOZPWXAJOBRSJ-CVEARBPZSA-N 0 3 369.429 -0.220 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccccc3Cn3cncn3)CCN2C1=O ZINC000579131047 484245463 /nfs/dbraw/zinc/24/54/63/484245463.db2.gz XTOZPWXAJOBRSJ-HOTGVXAUSA-N 0 3 369.429 -0.220 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccccc3Cn3cncn3)CCN2C1=O ZINC000579131048 484245601 /nfs/dbraw/zinc/24/56/01/484245601.db2.gz XTOZPWXAJOBRSJ-HZPDHXFCSA-N 0 3 369.429 -0.220 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3Cn3cncn3)CCN2C1=O ZINC000579131049 484245062 /nfs/dbraw/zinc/24/50/62/484245062.db2.gz XTOZPWXAJOBRSJ-JKSUJKDBSA-N 0 3 369.429 -0.220 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)CCN1C ZINC000579133139 484246172 /nfs/dbraw/zinc/24/61/72/484246172.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 0 3 355.527 -0.074 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)CCN1C ZINC000579133142 484246281 /nfs/dbraw/zinc/24/62/81/484246281.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 0 3 355.527 -0.074 20 0 FBADHN CC1CCN(S(=O)(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1 ZINC000579133254 484244979 /nfs/dbraw/zinc/24/49/79/484244979.db2.gz XOGKNYBNVWEFOK-UHFFFAOYSA-N 0 3 372.495 -0.051 20 0 FBADHN C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000579138901 484245352 /nfs/dbraw/zinc/24/53/52/484245352.db2.gz YDKRUZAGBSOCFC-CVEARBPZSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000579138902 484245089 /nfs/dbraw/zinc/24/50/89/484245089.db2.gz YDKRUZAGBSOCFC-HOTGVXAUSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000579138903 484246234 /nfs/dbraw/zinc/24/62/34/484246234.db2.gz YDKRUZAGBSOCFC-HZPDHXFCSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000579138904 484244870 /nfs/dbraw/zinc/24/48/70/484244870.db2.gz YDKRUZAGBSOCFC-JKSUJKDBSA-N 0 3 354.495 -0.108 20 0 FBADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000579141890 484244938 /nfs/dbraw/zinc/24/49/38/484244938.db2.gz UHFSIBGOWVQTMI-QJPTWQEYSA-N 0 3 350.485 -0.867 20 0 FBADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000579141891 484245375 /nfs/dbraw/zinc/24/53/75/484245375.db2.gz UHFSIBGOWVQTMI-SDDRHHMPSA-N 0 3 350.485 -0.867 20 0 FBADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000579141892 484244819 /nfs/dbraw/zinc/24/48/19/484244819.db2.gz UHFSIBGOWVQTMI-SRVKXCTJSA-N 0 3 350.485 -0.867 20 0 FBADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000579141893 484245158 /nfs/dbraw/zinc/24/51/58/484245158.db2.gz UHFSIBGOWVQTMI-TUAOUCFPSA-N 0 3 350.485 -0.867 20 0 FBADHN CN(C)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000579142666 484246021 /nfs/dbraw/zinc/24/60/21/484246021.db2.gz HAVMTVLKFCJHND-CABCVRRESA-N 0 3 359.430 -0.429 20 0 FBADHN CN(C)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000579142667 484244967 /nfs/dbraw/zinc/24/49/67/484244967.db2.gz HAVMTVLKFCJHND-GJZGRUSLSA-N 0 3 359.430 -0.429 20 0 FBADHN CN(C)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000579142668 484245483 /nfs/dbraw/zinc/24/54/83/484245483.db2.gz HAVMTVLKFCJHND-HUUCEWRRSA-N 0 3 359.430 -0.429 20 0 FBADHN CN(C)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000579142669 484246343 /nfs/dbraw/zinc/24/63/43/484246343.db2.gz HAVMTVLKFCJHND-LSDHHAIUSA-N 0 3 359.430 -0.429 20 0 FBADHN Cc1n[nH]cc1CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000579148434 484245926 /nfs/dbraw/zinc/24/59/26/484245926.db2.gz PQKLZPHRBCREDL-AWEZNQCLSA-N 0 3 364.450 -0.607 20 0 FBADHN Cc1n[nH]cc1CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000579148435 484245411 /nfs/dbraw/zinc/24/54/11/484245411.db2.gz PQKLZPHRBCREDL-CQSZACIVSA-N 0 3 364.450 -0.607 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000579164014 484247040 /nfs/dbraw/zinc/24/70/40/484247040.db2.gz FKDUYTIJHHCGLX-NEPJUHHUSA-N 0 3 360.480 -0.888 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000579164016 484247643 /nfs/dbraw/zinc/24/76/43/484247643.db2.gz FKDUYTIJHHCGLX-NWDGAFQWSA-N 0 3 360.480 -0.888 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000579164018 484247549 /nfs/dbraw/zinc/24/75/49/484247549.db2.gz FKDUYTIJHHCGLX-RYUDHWBXSA-N 0 3 360.480 -0.888 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000579164020 484248442 /nfs/dbraw/zinc/24/84/42/484248442.db2.gz FKDUYTIJHHCGLX-VXGBXAGGSA-N 0 3 360.480 -0.888 20 0 FBADHN CCN(C)C(=O)CNC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000579166725 484247902 /nfs/dbraw/zinc/24/79/02/484247902.db2.gz DZBNUVOVKHFRMP-UHFFFAOYSA-N 0 3 356.467 -0.414 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000579189484 484247237 /nfs/dbraw/zinc/24/72/37/484247237.db2.gz SEBLXXIVPUSVHH-UHFFFAOYSA-N 0 3 370.475 -0.031 20 0 FBADHN CN1CCO[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C[C@@H]21 ZINC000579204454 484248263 /nfs/dbraw/zinc/24/82/63/484248263.db2.gz ILINPXBOAPLKDF-HRCADAONSA-N 0 3 350.463 -0.385 20 0 FBADHN CN1CCO[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@@H]21 ZINC000579204455 484247666 /nfs/dbraw/zinc/24/76/66/484247666.db2.gz ILINPXBOAPLKDF-OWCLPIDISA-N 0 3 350.463 -0.385 20 0 FBADHN Cc1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)n(C)n1 ZINC000579214031 484247703 /nfs/dbraw/zinc/24/77/03/484247703.db2.gz JBFFEBMFCRZADC-UHFFFAOYSA-N 0 3 364.450 -0.225 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000579216172 484247223 /nfs/dbraw/zinc/24/72/23/484247223.db2.gz QZKXOXYYHUUIBW-HNNXBMFYSA-N 0 3 356.467 -0.996 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000579216173 484247390 /nfs/dbraw/zinc/24/73/90/484247390.db2.gz QZKXOXYYHUUIBW-OAHLLOKOSA-N 0 3 356.467 -0.996 20 0 FBADHN CN1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@H](CN)C1 ZINC000579227810 484249108 /nfs/dbraw/zinc/24/91/08/484249108.db2.gz GUWWTQUWXDWOFU-CHWSQXEVSA-N 0 3 368.459 -0.494 20 0 FBADHN CN1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)[C@H](CN)C1 ZINC000579227811 484249333 /nfs/dbraw/zinc/24/93/33/484249333.db2.gz GUWWTQUWXDWOFU-OLZOCXBDSA-N 0 3 368.459 -0.494 20 0 FBADHN CN1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@@H](CN)C1 ZINC000579227812 484249093 /nfs/dbraw/zinc/24/90/93/484249093.db2.gz GUWWTQUWXDWOFU-QWHCGFSZSA-N 0 3 368.459 -0.494 20 0 FBADHN CN1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)[C@@H](CN)C1 ZINC000579227813 484249309 /nfs/dbraw/zinc/24/93/09/484249309.db2.gz GUWWTQUWXDWOFU-STQMWFEESA-N 0 3 368.459 -0.494 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000579233072 484249952 /nfs/dbraw/zinc/24/99/52/484249952.db2.gz VAYXQDSBBYHVHU-AWEZNQCLSA-N 0 3 364.450 -0.615 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000579233073 484249505 /nfs/dbraw/zinc/24/95/05/484249505.db2.gz VAYXQDSBBYHVHU-CQSZACIVSA-N 0 3 364.450 -0.615 20 0 FBADHN O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579233341 484249650 /nfs/dbraw/zinc/24/96/50/484249650.db2.gz GSZLLAJSYOLQNP-CYBMUJFWSA-N 0 3 372.516 -0.077 20 0 FBADHN O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579233342 484249422 /nfs/dbraw/zinc/24/94/22/484249422.db2.gz GSZLLAJSYOLQNP-ZDUSSCGKSA-N 0 3 372.516 -0.077 20 0 FBADHN CN1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)[C@@H](CN)C1 ZINC000579235530 484249686 /nfs/dbraw/zinc/24/96/86/484249686.db2.gz SDQUZQSGQTXQDZ-HNNXBMFYSA-N 0 3 352.460 -0.059 20 0 FBADHN CN1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)[C@H](CN)C1 ZINC000579235531 484248965 /nfs/dbraw/zinc/24/89/65/484248965.db2.gz SDQUZQSGQTXQDZ-OAHLLOKOSA-N 0 3 352.460 -0.059 20 0 FBADHN Cc1c(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cccc1S(N)(=O)=O ZINC000579235604 484249912 /nfs/dbraw/zinc/24/99/12/484249912.db2.gz VPNWLQQIRCJINE-UHFFFAOYSA-N 0 3 365.419 -0.578 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000579238275 484249226 /nfs/dbraw/zinc/24/92/26/484249226.db2.gz XMZDLBJBVBFMOF-KGLIPLIRSA-N 0 3 374.507 -0.085 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000579238276 484249207 /nfs/dbraw/zinc/24/92/07/484249207.db2.gz XMZDLBJBVBFMOF-ZIAGYGMSSA-N 0 3 374.507 -0.085 20 0 FBADHN COCCn1c(N)c(C(=O)CN2[C@@H]3CC[C@H]2CCN(C)C3)c(=O)[nH]c1=O ZINC000579245583 484250304 /nfs/dbraw/zinc/25/03/04/484250304.db2.gz VOPBRGXOESPSDX-NWDGAFQWSA-N 0 3 365.434 -0.471 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c(OC)c1 ZINC000579246470 484250674 /nfs/dbraw/zinc/25/06/74/484250674.db2.gz KJOKPISEOICNJN-GFCCVEGCSA-N 0 3 357.432 -0.255 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c(OC)c1 ZINC000579246475 484251251 /nfs/dbraw/zinc/25/12/51/484251251.db2.gz KJOKPISEOICNJN-LBPRGKRZSA-N 0 3 357.432 -0.255 20 0 FBADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579260151 484251057 /nfs/dbraw/zinc/25/10/57/484251057.db2.gz AMNBWWSKNBYELE-CABCVRRESA-N 0 3 374.445 -0.964 20 0 FBADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579260152 484250498 /nfs/dbraw/zinc/25/04/98/484250498.db2.gz AMNBWWSKNBYELE-GJZGRUSLSA-N 0 3 374.445 -0.964 20 0 FBADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579260153 484250544 /nfs/dbraw/zinc/25/05/44/484250544.db2.gz AMNBWWSKNBYELE-HUUCEWRRSA-N 0 3 374.445 -0.964 20 0 FBADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579260154 484250637 /nfs/dbraw/zinc/25/06/37/484250637.db2.gz AMNBWWSKNBYELE-LSDHHAIUSA-N 0 3 374.445 -0.964 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000579261030 484250484 /nfs/dbraw/zinc/25/04/84/484250484.db2.gz WLCHDGHHQCBQPV-UHFFFAOYSA-N 0 3 353.511 -0.316 20 0 FBADHN CC(C)[C@H](C(=O)NC[C@@]1(O)CN2CCC1CC2)N1CCCS1(=O)=O ZINC000579268858 484252640 /nfs/dbraw/zinc/25/26/40/484252640.db2.gz UYYUCOIDCBWTRZ-GDBMZVCRSA-N 0 3 359.492 -0.381 20 0 FBADHN CC(C)[C@@H](C(=O)NC[C@@]1(O)CN2CCC1CC2)N1CCCS1(=O)=O ZINC000579268859 484251867 /nfs/dbraw/zinc/25/18/67/484251867.db2.gz UYYUCOIDCBWTRZ-GOEBONIOSA-N 0 3 359.492 -0.381 20 0 FBADHN CC(C)[C@@H](C(=O)NC[C@]1(O)CN2CCC1CC2)N1CCCS1(=O)=O ZINC000579268860 484252434 /nfs/dbraw/zinc/25/24/34/484252434.db2.gz UYYUCOIDCBWTRZ-HOCLYGCPSA-N 0 3 359.492 -0.381 20 0 FBADHN CC(C)[C@H](C(=O)NC[C@]1(O)CN2CCC1CC2)N1CCCS1(=O)=O ZINC000579268861 484252085 /nfs/dbraw/zinc/25/20/85/484252085.db2.gz UYYUCOIDCBWTRZ-ZBFHGGJFSA-N 0 3 359.492 -0.381 20 0 FBADHN COC1CCN(C2(CNC(=O)C(=O)N3CCNC(=O)C3)CCCC2)CC1 ZINC000579270495 484252378 /nfs/dbraw/zinc/25/23/78/484252378.db2.gz IGVVOYLGRGZSOD-UHFFFAOYSA-N 0 3 366.462 -0.515 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000579288917 484252051 /nfs/dbraw/zinc/25/20/51/484252051.db2.gz SYZFRBSZUHDTIZ-CABCVRRESA-N 0 3 350.463 -0.338 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000579288918 484252450 /nfs/dbraw/zinc/25/24/50/484252450.db2.gz SYZFRBSZUHDTIZ-GJZGRUSLSA-N 0 3 350.463 -0.338 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000579288919 484252322 /nfs/dbraw/zinc/25/23/22/484252322.db2.gz SYZFRBSZUHDTIZ-HUUCEWRRSA-N 0 3 350.463 -0.338 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000579288920 484251948 /nfs/dbraw/zinc/25/19/48/484251948.db2.gz SYZFRBSZUHDTIZ-LSDHHAIUSA-N 0 3 350.463 -0.338 20 0 FBADHN CCCN(CC)C[C@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000579294227 484252756 /nfs/dbraw/zinc/25/27/56/484252756.db2.gz JGGDTTIQMFWLKH-ZDUSSCGKSA-N 0 3 370.541 -0.482 20 0 FBADHN CC(C)[C@@](C)(CO)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000579294733 484252105 /nfs/dbraw/zinc/25/21/05/484252105.db2.gz WMBYEKRNGUXVNJ-GDBMZVCRSA-N 0 3 361.508 -0.686 20 0 FBADHN CC(C)[C@@](C)(CO)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000579294736 484252248 /nfs/dbraw/zinc/25/22/48/484252248.db2.gz WMBYEKRNGUXVNJ-GOEBONIOSA-N 0 3 361.508 -0.686 20 0 FBADHN CC(C)[C@](C)(CO)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000579294737 484251900 /nfs/dbraw/zinc/25/19/00/484251900.db2.gz WMBYEKRNGUXVNJ-HOCLYGCPSA-N 0 3 361.508 -0.686 20 0 FBADHN CC(C)[C@](C)(CO)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000579294738 484252075 /nfs/dbraw/zinc/25/20/75/484252075.db2.gz WMBYEKRNGUXVNJ-ZBFHGGJFSA-N 0 3 361.508 -0.686 20 0 FBADHN CC(C)N1CC[C@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000579316526 484254030 /nfs/dbraw/zinc/25/40/30/484254030.db2.gz MKTLNSTXXRRJCZ-INIZCTEOSA-N 0 3 353.511 -0.367 20 0 FBADHN CC(C)N1CC[C@@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000579316527 484254252 /nfs/dbraw/zinc/25/42/52/484254252.db2.gz MKTLNSTXXRRJCZ-MRXNPFEDSA-N 0 3 353.511 -0.367 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C[C@@H]21 ZINC000579325453 484253505 /nfs/dbraw/zinc/25/35/05/484253505.db2.gz URBLAOVHQGKRQS-SJORKVTESA-N 0 3 357.458 -0.112 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H](COC(C)C)C1 ZINC000579325792 484254222 /nfs/dbraw/zinc/25/42/22/484254222.db2.gz OALLFGSTNRUBGD-HNNXBMFYSA-N 0 3 359.467 -0.325 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H](COC(C)C)C1 ZINC000579325793 484253912 /nfs/dbraw/zinc/25/39/12/484253912.db2.gz OALLFGSTNRUBGD-OAHLLOKOSA-N 0 3 359.467 -0.325 20 0 FBADHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000579333732 484253412 /nfs/dbraw/zinc/25/34/12/484253412.db2.gz ZCTVEIVWWFAZEX-DOMZBBRYSA-N 0 3 366.437 -0.017 20 0 FBADHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000579333733 484253925 /nfs/dbraw/zinc/25/39/25/484253925.db2.gz ZCTVEIVWWFAZEX-IUODEOHRSA-N 0 3 366.437 -0.017 20 0 FBADHN COc1cc(F)cc(C[C@H](C)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000579333734 484253570 /nfs/dbraw/zinc/25/35/70/484253570.db2.gz ZCTVEIVWWFAZEX-SWLSCSKDSA-N 0 3 366.437 -0.017 20 0 FBADHN COc1cc(F)cc(C[C@H](C)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000579333735 484253937 /nfs/dbraw/zinc/25/39/37/484253937.db2.gz ZCTVEIVWWFAZEX-WFASDCNBSA-N 0 3 366.437 -0.017 20 0 FBADHN COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C2 ZINC000579334189 484253813 /nfs/dbraw/zinc/25/38/13/484253813.db2.gz ISSOCYLKBYFYMR-KBPBESRZSA-N 0 3 362.430 -0.784 20 0 FBADHN COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C2 ZINC000579334193 484253706 /nfs/dbraw/zinc/25/37/06/484253706.db2.gz ISSOCYLKBYFYMR-KGLIPLIRSA-N 0 3 362.430 -0.784 20 0 FBADHN COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)C2 ZINC000579334194 484254132 /nfs/dbraw/zinc/25/41/32/484254132.db2.gz ISSOCYLKBYFYMR-UONOGXRCSA-N 0 3 362.430 -0.784 20 0 FBADHN COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)C2 ZINC000579334196 484253771 /nfs/dbraw/zinc/25/37/71/484253771.db2.gz ISSOCYLKBYFYMR-ZIAGYGMSSA-N 0 3 362.430 -0.784 20 0 FBADHN CCOC(=O)Cn1cnc(NC(=O)NCCCCN2CCN(C)CC2)n1 ZINC000579346901 484396670 /nfs/dbraw/zinc/39/66/70/484396670.db2.gz XBZIXIJKLVAVDX-UHFFFAOYSA-N 0 3 367.454 -0.010 20 0 FBADHN C[C@@H](NC(=O)[C@H]1CNCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000579348427 484255555 /nfs/dbraw/zinc/25/55/55/484255555.db2.gz JMSUJUQHGGODCM-DOMZBBRYSA-N 0 3 365.455 -0.365 20 0 FBADHN C[C@@H](NC(=O)[C@@H]1CNCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000579348428 484255640 /nfs/dbraw/zinc/25/56/40/484255640.db2.gz JMSUJUQHGGODCM-IUODEOHRSA-N 0 3 365.455 -0.365 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CNCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000579348429 484255484 /nfs/dbraw/zinc/25/54/84/484255484.db2.gz JMSUJUQHGGODCM-SWLSCSKDSA-N 0 3 365.455 -0.365 20 0 FBADHN C[C@H](NC(=O)[C@H]1CNCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000579348430 484255326 /nfs/dbraw/zinc/25/53/26/484255326.db2.gz JMSUJUQHGGODCM-WFASDCNBSA-N 0 3 365.455 -0.365 20 0 FBADHN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)COC2CNC2)n1 ZINC000579350978 484255414 /nfs/dbraw/zinc/25/54/14/484255414.db2.gz CRJUCRDWWSTDSB-STQMWFEESA-N 0 3 366.441 -0.094 20 0 FBADHN CS(=O)(=O)c1nc(C(=O)N2CCCO[C@H](CN)C2)c2ccccn21 ZINC000579351710 484255732 /nfs/dbraw/zinc/25/57/32/484255732.db2.gz BOEYQBUQYKQVHH-LLVKDONJSA-N 0 3 352.416 -0.072 20 0 FBADHN CS(=O)(=O)c1nc(C(=O)N2CCCO[C@@H](CN)C2)c2ccccn21 ZINC000579351711 484255711 /nfs/dbraw/zinc/25/57/11/484255711.db2.gz BOEYQBUQYKQVHH-NSHDSACASA-N 0 3 352.416 -0.072 20 0 FBADHN C[C@H]1CN(CCC(=O)N2CCNCC2)CCN1c1nccn2cnnc12 ZINC000579354812 484255470 /nfs/dbraw/zinc/25/54/70/484255470.db2.gz MQFGIMBEXRNHMM-AWEZNQCLSA-N 0 3 358.450 -0.543 20 0 FBADHN C[C@@H]1CN(CCC(=O)N2CCNCC2)CCN1c1nccn2cnnc12 ZINC000579354813 484255620 /nfs/dbraw/zinc/25/56/20/484255620.db2.gz MQFGIMBEXRNHMM-CQSZACIVSA-N 0 3 358.450 -0.543 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)NCCCNCc2cccnc2)C1 ZINC000579363876 484255360 /nfs/dbraw/zinc/25/53/60/484255360.db2.gz JUYOZWLKQRQRJB-AWEZNQCLSA-N 0 3 355.464 -0.106 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](NC(=O)NCCCNCc2cccnc2)C1 ZINC000579363877 484255654 /nfs/dbraw/zinc/25/56/54/484255654.db2.gz JUYOZWLKQRQRJB-CQSZACIVSA-N 0 3 355.464 -0.106 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000579370485 484256743 /nfs/dbraw/zinc/25/67/43/484256743.db2.gz JRCUZGDHQIVDNP-GOSISDBHSA-N 0 3 370.538 -0.054 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000579370486 484257063 /nfs/dbraw/zinc/25/70/63/484257063.db2.gz JRCUZGDHQIVDNP-SFHVURJKSA-N 0 3 370.538 -0.054 20 0 FBADHN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579377052 484256624 /nfs/dbraw/zinc/25/66/24/484256624.db2.gz PHELCGJVQLVLES-CVEARBPZSA-N 0 3 373.457 -0.012 20 0 FBADHN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579377053 484257106 /nfs/dbraw/zinc/25/71/06/484257106.db2.gz PHELCGJVQLVLES-HOTGVXAUSA-N 0 3 373.457 -0.012 20 0 FBADHN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579377054 484257287 /nfs/dbraw/zinc/25/72/87/484257287.db2.gz PHELCGJVQLVLES-HZPDHXFCSA-N 0 3 373.457 -0.012 20 0 FBADHN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579377055 484256929 /nfs/dbraw/zinc/25/69/29/484256929.db2.gz PHELCGJVQLVLES-JKSUJKDBSA-N 0 3 373.457 -0.012 20 0 FBADHN O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000579382061 484256944 /nfs/dbraw/zinc/25/69/44/484256944.db2.gz NMYDUWZJMJLAED-HNNXBMFYSA-N 0 3 371.503 -0.032 20 0 FBADHN O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000579382062 484257025 /nfs/dbraw/zinc/25/70/25/484257025.db2.gz NMYDUWZJMJLAED-OAHLLOKOSA-N 0 3 371.503 -0.032 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000579383443 484257341 /nfs/dbraw/zinc/25/73/41/484257341.db2.gz URJDWWDRXHMOLV-UHFFFAOYSA-N 0 3 355.483 -0.839 20 0 FBADHN CCCCN(C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000579387010 484256878 /nfs/dbraw/zinc/25/68/78/484256878.db2.gz ZQXJXJVFELSAEF-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1CCNC(=O)C1 ZINC000579389687 484258030 /nfs/dbraw/zinc/25/80/30/484258030.db2.gz GMUIXMLLPMCLGY-UHFFFAOYSA-N 0 3 368.503 -0.187 20 0 FBADHN Cc1ccnc(N2CCN(C(=O)C(=O)NCCOCCN(C)C)CC2)c1 ZINC000579395193 484257936 /nfs/dbraw/zinc/25/79/36/484257936.db2.gz RODBRQWJQQOZPL-UHFFFAOYSA-N 0 3 363.462 -0.267 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CN3CCOCC3)C[C@@H]21 ZINC000579445460 484260203 /nfs/dbraw/zinc/26/02/03/484260203.db2.gz YBJCIHHOCVWPAZ-IKGGRYGDSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN3CCOCC3)C[C@@H]21 ZINC000579445461 484259557 /nfs/dbraw/zinc/25/95/57/484259557.db2.gz YBJCIHHOCVWPAZ-ZACQAIPSSA-N 0 3 364.490 -0.138 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000579452750 484259596 /nfs/dbraw/zinc/25/95/96/484259596.db2.gz VEZGZWKHBHKKQJ-CVEARBPZSA-N 0 3 367.494 -0.297 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000579452751 484260033 /nfs/dbraw/zinc/26/00/33/484260033.db2.gz VEZGZWKHBHKKQJ-HOTGVXAUSA-N 0 3 367.494 -0.297 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000579452752 484260084 /nfs/dbraw/zinc/26/00/84/484260084.db2.gz VEZGZWKHBHKKQJ-HZPDHXFCSA-N 0 3 367.494 -0.297 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000579452753 484259374 /nfs/dbraw/zinc/25/93/74/484259374.db2.gz VEZGZWKHBHKKQJ-JKSUJKDBSA-N 0 3 367.494 -0.297 20 0 FBADHN COc1ccc(COCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000579453443 484260740 /nfs/dbraw/zinc/26/07/40/484260740.db2.gz COECUVFFAZWDBQ-HNNXBMFYSA-N 0 3 364.446 -0.571 20 0 FBADHN COc1ccc(COCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000579453444 484260618 /nfs/dbraw/zinc/26/06/18/484260618.db2.gz COECUVFFAZWDBQ-OAHLLOKOSA-N 0 3 364.446 -0.571 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000579457338 484260558 /nfs/dbraw/zinc/26/05/58/484260558.db2.gz UUBCBFMLCDTFSC-FRRDWIJNSA-N 0 3 360.480 -0.875 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000579457339 484260338 /nfs/dbraw/zinc/26/03/38/484260338.db2.gz UUBCBFMLCDTFSC-JHJVBQTASA-N 0 3 360.480 -0.875 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000579457340 484260245 /nfs/dbraw/zinc/26/02/45/484260245.db2.gz UUBCBFMLCDTFSC-RWMBFGLXSA-N 0 3 360.480 -0.875 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000579457341 484259862 /nfs/dbraw/zinc/25/98/62/484259862.db2.gz UUBCBFMLCDTFSC-YNEHKIRRSA-N 0 3 360.480 -0.875 20 0 FBADHN CN(CCOc1ccccc1F)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000579461997 484260541 /nfs/dbraw/zinc/26/05/41/484260541.db2.gz UGJQABRLXKGYFR-CYBMUJFWSA-N 0 3 352.410 -0.236 20 0 FBADHN CN(CCOc1ccccc1F)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000579461998 484260051 /nfs/dbraw/zinc/26/00/51/484260051.db2.gz UGJQABRLXKGYFR-ZDUSSCGKSA-N 0 3 352.410 -0.236 20 0 FBADHN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000579462011 484260388 /nfs/dbraw/zinc/26/03/88/484260388.db2.gz VMJGEUSYRQULCC-CYBMUJFWSA-N 0 3 350.467 -0.233 20 0 FBADHN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000579462012 484260636 /nfs/dbraw/zinc/26/06/36/484260636.db2.gz VMJGEUSYRQULCC-ZDUSSCGKSA-N 0 3 350.467 -0.233 20 0 FBADHN Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000579470339 484261684 /nfs/dbraw/zinc/26/16/84/484261684.db2.gz BMZHEVLPFXUXRQ-UHFFFAOYSA-N 0 3 356.394 -0.306 20 0 FBADHN CCN1CCC(n2nccc2NC(=O)C(=O)N2CC(C)(C(N)=O)C2)CC1 ZINC000579470794 484262670 /nfs/dbraw/zinc/26/26/70/484262670.db2.gz QPLFPFWYDHWBOT-UHFFFAOYSA-N 0 3 362.434 -0.188 20 0 FBADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1COCCN1CC(F)(F)F ZINC000579470889 484261919 /nfs/dbraw/zinc/26/19/19/484261919.db2.gz VIOPBSHQFGFDRB-SECBINFHSA-N 0 3 363.344 -0.584 20 0 FBADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1COCCN1CC(F)(F)F ZINC000579470891 484261781 /nfs/dbraw/zinc/26/17/81/484261781.db2.gz VIOPBSHQFGFDRB-VIFPVBQESA-N 0 3 363.344 -0.584 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000579474689 484261638 /nfs/dbraw/zinc/26/16/38/484261638.db2.gz JHQNBBNUHQKDGB-HNNXBMFYSA-N 0 3 370.413 -0.660 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000579474690 484262592 /nfs/dbraw/zinc/26/25/92/484262592.db2.gz JHQNBBNUHQKDGB-OAHLLOKOSA-N 0 3 370.413 -0.660 20 0 FBADHN Cn1cc(C[C@@H](CO)NC[C@H](O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000579474789 484262207 /nfs/dbraw/zinc/26/22/07/484262207.db2.gz NOVIBKKLZPGZJL-KBPBESRZSA-N 0 3 358.398 -0.430 20 0 FBADHN Cn1cc(C[C@H](CO)NC[C@H](O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000579474790 484262640 /nfs/dbraw/zinc/26/26/40/484262640.db2.gz NOVIBKKLZPGZJL-KGLIPLIRSA-N 0 3 358.398 -0.430 20 0 FBADHN Cn1cc(C[C@@H](CO)NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000579474791 484261852 /nfs/dbraw/zinc/26/18/52/484261852.db2.gz NOVIBKKLZPGZJL-UONOGXRCSA-N 0 3 358.398 -0.430 20 0 FBADHN Cn1cc(C[C@H](CO)NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000579474792 484262419 /nfs/dbraw/zinc/26/24/19/484262419.db2.gz NOVIBKKLZPGZJL-ZIAGYGMSSA-N 0 3 358.398 -0.430 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000579488859 484261770 /nfs/dbraw/zinc/26/17/70/484261770.db2.gz VAIKIXDSFFQDMB-UHFFFAOYSA-N 0 3 368.478 -0.269 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000579489316 484261973 /nfs/dbraw/zinc/26/19/73/484261973.db2.gz PJQHNJZWHFWWQA-KBPBESRZSA-N 0 3 355.439 -0.359 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000579489317 484262395 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N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccn3)CCN2C1=O ZINC000579615369 484268704 /nfs/dbraw/zinc/26/87/04/484268704.db2.gz GUFNFKZACVSDTN-UWVGGRQHSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccn3)CCN2C1=O ZINC000579615370 484268267 /nfs/dbraw/zinc/26/82/67/484268267.db2.gz GUFNFKZACVSDTN-VHSXEESVSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccn3)CCN2C1=O ZINC000579615371 484268984 /nfs/dbraw/zinc/26/89/84/484268984.db2.gz GUFNFKZACVSDTN-ZJUUUORDSA-N 0 3 371.319 -0.191 20 0 FBADHN CC[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)CC(F)(F)F ZINC000579616193 484268430 /nfs/dbraw/zinc/26/84/30/484268430.db2.gz FRKSOFNBVGENNM-AXFHLTTASA-N 0 3 364.368 -0.148 20 0 FBADHN CC[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)CC(F)(F)F ZINC000579616194 484268763 /nfs/dbraw/zinc/26/87/63/484268763.db2.gz FRKSOFNBVGENNM-DCAQKATOSA-N 0 3 364.368 -0.148 20 0 FBADHN CC[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)CC(F)(F)F 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C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000579657745 484270787 /nfs/dbraw/zinc/27/07/87/484270787.db2.gz IBTVKSATYDWSPL-DZGCQCFKSA-N 0 3 373.523 -0.007 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000579657746 484270012 /nfs/dbraw/zinc/27/00/12/484270012.db2.gz IBTVKSATYDWSPL-HIFRSBDPSA-N 0 3 373.523 -0.007 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000579657747 484270482 /nfs/dbraw/zinc/27/04/82/484270482.db2.gz IBTVKSATYDWSPL-UKRRQHHQSA-N 0 3 373.523 -0.007 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000579657748 484270413 /nfs/dbraw/zinc/27/04/13/484270413.db2.gz IBTVKSATYDWSPL-ZFWWWQNUSA-N 0 3 373.523 -0.007 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000579683678 484271918 /nfs/dbraw/zinc/27/19/18/484271918.db2.gz CVSGETWYILSCHS-UHFFFAOYSA-N 0 3 357.499 -0.689 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000579708388 484271741 /nfs/dbraw/zinc/27/17/41/484271741.db2.gz FEVCJVZAXBCECR-INIZCTEOSA-N 0 3 359.492 -0.195 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000579708390 484271258 /nfs/dbraw/zinc/27/12/58/484271258.db2.gz FEVCJVZAXBCECR-MRXNPFEDSA-N 0 3 359.492 -0.195 20 0 FBADHN O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000579709733 484271809 /nfs/dbraw/zinc/27/18/09/484271809.db2.gz CGBKPEZQQDKUCH-GARJFASQSA-N 0 3 365.402 -0.865 20 0 FBADHN O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000579709734 484272318 /nfs/dbraw/zinc/27/23/18/484272318.db2.gz CGBKPEZQQDKUCH-GMTAPVOTSA-N 0 3 365.402 -0.865 20 0 FBADHN O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000579709735 484271655 /nfs/dbraw/zinc/27/16/55/484271655.db2.gz CGBKPEZQQDKUCH-HBNTYKKESA-N 0 3 365.402 -0.865 20 0 FBADHN O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000579709736 484271534 /nfs/dbraw/zinc/27/15/34/484271534.db2.gz CGBKPEZQQDKUCH-OUAUKWLOSA-N 0 3 365.402 -0.865 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000579715207 484273530 /nfs/dbraw/zinc/27/35/30/484273530.db2.gz TZOQTFKSMJDNSP-KRWDZBQOSA-N 0 3 360.458 -0.220 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000579715208 484273091 /nfs/dbraw/zinc/27/30/91/484273091.db2.gz TZOQTFKSMJDNSP-QGZVFWFLSA-N 0 3 360.458 -0.220 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H](CN)C1 ZINC000579719550 484272844 /nfs/dbraw/zinc/27/28/44/484272844.db2.gz VFDYWWZVWYROHP-JTQLQIEISA-N 0 3 365.452 -0.507 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@H](CN)C1 ZINC000579719551 484273359 /nfs/dbraw/zinc/27/33/59/484273359.db2.gz VFDYWWZVWYROHP-SNVBAGLBSA-N 0 3 365.452 -0.507 20 0 FBADHN COc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579735647 484274428 /nfs/dbraw/zinc/27/44/28/484274428.db2.gz JPNSSSFIKVCUHL-KBPBESRZSA-N 0 3 360.414 -0.876 20 0 FBADHN COc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579735648 484274699 /nfs/dbraw/zinc/27/46/99/484274699.db2.gz JPNSSSFIKVCUHL-KGLIPLIRSA-N 0 3 360.414 -0.876 20 0 FBADHN COc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579735649 484274813 /nfs/dbraw/zinc/27/48/13/484274813.db2.gz JPNSSSFIKVCUHL-UONOGXRCSA-N 0 3 360.414 -0.876 20 0 FBADHN COc1ccccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579735650 484275305 /nfs/dbraw/zinc/27/53/05/484275305.db2.gz JPNSSSFIKVCUHL-ZIAGYGMSSA-N 0 3 360.414 -0.876 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](COC)C2)CC1 ZINC000579740398 484275020 /nfs/dbraw/zinc/27/50/20/484275020.db2.gz GCKFFGKBVZJBQS-CVEARBPZSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](COC)C2)CC1 ZINC000579740399 484274844 /nfs/dbraw/zinc/27/48/44/484274844.db2.gz GCKFFGKBVZJBQS-HOTGVXAUSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](COC)C2)CC1 ZINC000579740401 484275112 /nfs/dbraw/zinc/27/51/12/484275112.db2.gz GCKFFGKBVZJBQS-HZPDHXFCSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](COC)C2)CC1 ZINC000579740403 484274750 /nfs/dbraw/zinc/27/47/50/484274750.db2.gz GCKFFGKBVZJBQS-JKSUJKDBSA-N 0 3 354.495 -0.129 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000579740935 484274575 /nfs/dbraw/zinc/27/45/75/484274575.db2.gz TZCJSYXNEUZPHF-UHFFFAOYSA-N 0 3 367.450 -0.623 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000579743782 484275282 /nfs/dbraw/zinc/27/52/82/484275282.db2.gz FQIMQEPFSIKYJF-CYBMUJFWSA-N 0 3 362.434 -0.877 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000579743783 484274909 /nfs/dbraw/zinc/27/49/09/484274909.db2.gz FQIMQEPFSIKYJF-ZDUSSCGKSA-N 0 3 362.434 -0.877 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000579750456 484274687 /nfs/dbraw/zinc/27/46/87/484274687.db2.gz FKRZDFFIGPUCPC-UHFFFAOYSA-N 0 3 355.483 -0.885 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCOCCN(C)C)C(=O)N1CCCC[C@@H]1C ZINC000579751303 484275354 /nfs/dbraw/zinc/27/53/54/484275354.db2.gz UNFBLCZSLLSBMF-KBPBESRZSA-N 0 3 356.467 -0.414 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCOCCN(C)C)C(=O)N1CCCC[C@H]1C ZINC000579751309 484274795 /nfs/dbraw/zinc/27/47/95/484274795.db2.gz UNFBLCZSLLSBMF-KGLIPLIRSA-N 0 3 356.467 -0.414 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)C(=O)N1CCCC[C@@H]1C ZINC000579751310 484274825 /nfs/dbraw/zinc/27/48/25/484274825.db2.gz UNFBLCZSLLSBMF-UONOGXRCSA-N 0 3 356.467 -0.414 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)C(=O)N1CCCC[C@H]1C ZINC000579751311 484276523 /nfs/dbraw/zinc/27/65/23/484276523.db2.gz UNFBLCZSLLSBMF-ZIAGYGMSSA-N 0 3 356.467 -0.414 20 0 FBADHN C[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)NCCN(C)C ZINC000579757015 484276761 /nfs/dbraw/zinc/27/67/61/484276761.db2.gz WMFHWCBZXMGGPV-JTQLQIEISA-N 0 3 360.436 -0.674 20 0 FBADHN C[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)NCCN(C)C ZINC000579757016 484276327 /nfs/dbraw/zinc/27/63/27/484276327.db2.gz WMFHWCBZXMGGPV-SNVBAGLBSA-N 0 3 360.436 -0.674 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)S(N)(=O)=O ZINC000579761583 484276548 /nfs/dbraw/zinc/27/65/48/484276548.db2.gz FPRJMELQGUHMPV-GXTWGEPZSA-N 0 3 370.475 -0.931 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)S(N)(=O)=O ZINC000579761586 484275736 /nfs/dbraw/zinc/27/57/36/484275736.db2.gz FPRJMELQGUHMPV-JSGCOSHPSA-N 0 3 370.475 -0.931 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)S(N)(=O)=O ZINC000579761588 484276692 /nfs/dbraw/zinc/27/66/92/484276692.db2.gz FPRJMELQGUHMPV-OCCSQVGLSA-N 0 3 370.475 -0.931 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)S(N)(=O)=O ZINC000579761589 484276535 /nfs/dbraw/zinc/27/65/35/484276535.db2.gz FPRJMELQGUHMPV-TZMCWYRMSA-N 0 3 370.475 -0.931 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1=O ZINC000579805990 484276864 /nfs/dbraw/zinc/27/68/64/484276864.db2.gz PGIMNCDNMVNNJX-UHFFFAOYSA-N 0 3 369.510 -0.735 20 0 FBADHN Cc1nccc(N2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)n1 ZINC000579806440 484276129 /nfs/dbraw/zinc/27/61/29/484276129.db2.gz VGWUJCRSNBDNSW-CABCVRRESA-N 0 3 358.446 -0.404 20 0 FBADHN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NC2CNC2)c1 ZINC000579809910 484277294 /nfs/dbraw/zinc/27/72/94/484277294.db2.gz OXUSIANOIPUBAQ-UHFFFAOYSA-N 0 3 357.370 -0.006 20 0 FBADHN O=C(CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1)Nc1ccccc1 ZINC000579813974 484277737 /nfs/dbraw/zinc/27/77/37/484277737.db2.gz CVQKENBSGSUFBL-INIZCTEOSA-N 0 3 361.446 -0.059 20 0 FBADHN O=C(CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1)Nc1ccccc1 ZINC000579813975 484277934 /nfs/dbraw/zinc/27/79/34/484277934.db2.gz CVQKENBSGSUFBL-MRXNPFEDSA-N 0 3 361.446 -0.059 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C[C@@H]1O ZINC000579816610 484277618 /nfs/dbraw/zinc/27/76/18/484277618.db2.gz NQTYCAXQVCOYKX-GJZGRUSLSA-N 0 3 353.444 -0.244 20 0 FBADHN O=C(CNC(=O)C(=O)N1CCN(C2CCCCC2)CC1)N1CCNCC1 ZINC000579817480 484277973 /nfs/dbraw/zinc/27/79/73/484277973.db2.gz KVSUMCXLDMEUPP-UHFFFAOYSA-N 0 3 365.478 -0.989 20 0 FBADHN C[C@H]1CCN[C@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000579825229 484277747 /nfs/dbraw/zinc/27/77/47/484277747.db2.gz QMZWWQMGWCKHGH-KBPBESRZSA-N 0 3 360.480 -0.904 20 0 FBADHN C[C@@H]1CCN[C@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000579825237 484277505 /nfs/dbraw/zinc/27/75/05/484277505.db2.gz QMZWWQMGWCKHGH-KGLIPLIRSA-N 0 3 360.480 -0.904 20 0 FBADHN C[C@H]1CCN[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000579825239 484278280 /nfs/dbraw/zinc/27/82/80/484278280.db2.gz QMZWWQMGWCKHGH-UONOGXRCSA-N 0 3 360.480 -0.904 20 0 FBADHN C[C@@H]1CCN[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000579825241 484277631 /nfs/dbraw/zinc/27/76/31/484277631.db2.gz QMZWWQMGWCKHGH-ZIAGYGMSSA-N 0 3 360.480 -0.904 20 0 FBADHN C[C@@H]1CCN[C@@H](C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000579825523 484278006 /nfs/dbraw/zinc/27/80/06/484278006.db2.gz LFVNRZVGFJNKRM-CHWSQXEVSA-N 0 3 350.419 -0.806 20 0 FBADHN C[C@@H]1CCN[C@H](C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000579825524 484277813 /nfs/dbraw/zinc/27/78/13/484277813.db2.gz LFVNRZVGFJNKRM-OLZOCXBDSA-N 0 3 350.419 -0.806 20 0 FBADHN C[C@H]1CCN[C@@H](C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000579825525 484278014 /nfs/dbraw/zinc/27/80/14/484278014.db2.gz LFVNRZVGFJNKRM-QWHCGFSZSA-N 0 3 350.419 -0.806 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)C[C@H]2N)cn1 ZINC000579825967 484277864 /nfs/dbraw/zinc/27/78/64/484277864.db2.gz WEOGQYPSHRXDBI-UONOGXRCSA-N 0 3 374.445 -0.072 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000579827309 484277989 /nfs/dbraw/zinc/27/79/89/484277989.db2.gz GBPBXKMJWNZRSB-BLLLJJGKSA-N 0 3 369.443 -0.413 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000579827311 484278087 /nfs/dbraw/zinc/27/80/87/484278087.db2.gz GBPBXKMJWNZRSB-LRDDRELGSA-N 0 3 369.443 -0.413 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000579827312 484277768 /nfs/dbraw/zinc/27/77/68/484277768.db2.gz GBPBXKMJWNZRSB-MLGOLLRUSA-N 0 3 369.443 -0.413 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000579827313 484277574 /nfs/dbraw/zinc/27/75/74/484277574.db2.gz GBPBXKMJWNZRSB-WBMJQRKESA-N 0 3 369.443 -0.413 20 0 FBADHN COc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1S(=O)(=O)N(C)C ZINC000579830246 484278622 /nfs/dbraw/zinc/27/86/22/484278622.db2.gz SPOWEFKBUOIQGX-CYBMUJFWSA-N 0 3 370.475 -0.340 20 0 FBADHN COc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1S(=O)(=O)N(C)C ZINC000579830247 484279625 /nfs/dbraw/zinc/27/96/25/484279625.db2.gz SPOWEFKBUOIQGX-ZDUSSCGKSA-N 0 3 370.475 -0.340 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCSC3)C2)n1 ZINC000579830827 484097061 /nfs/dbraw/zinc/09/70/61/484097061.db2.gz VGNUCAYIAPVYGH-INIZCTEOSA-N 0 3 367.475 0.118 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCO[C@]3(CCSC3)C2)n1 ZINC000579830828 484100131 /nfs/dbraw/zinc/10/01/31/484100131.db2.gz VGNUCAYIAPVYGH-MRXNPFEDSA-N 0 3 367.475 0.118 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3nncn3-c3ccccc3)CCN2C1=O ZINC000579853862 484278974 /nfs/dbraw/zinc/27/89/74/484278974.db2.gz DZRZNMUMBONYOG-KBPBESRZSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3nncn3-c3ccccc3)CCN2C1=O ZINC000579853863 484279725 /nfs/dbraw/zinc/27/97/25/484279725.db2.gz DZRZNMUMBONYOG-KGLIPLIRSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3nncn3-c3ccccc3)CCN2C1=O ZINC000579853864 484279823 /nfs/dbraw/zinc/27/98/23/484279823.db2.gz DZRZNMUMBONYOG-UONOGXRCSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3nncn3-c3ccccc3)CCN2C1=O ZINC000579853865 484278924 /nfs/dbraw/zinc/27/89/24/484278924.db2.gz DZRZNMUMBONYOG-ZIAGYGMSSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccc(N4CCOCC4)cn3)CCN2C1=O ZINC000579854234 484280954 /nfs/dbraw/zinc/28/09/54/484280954.db2.gz QTUDQRJKCOHUBK-KBPBESRZSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(N4CCOCC4)cn3)CCN2C1=O ZINC000579854235 484281380 /nfs/dbraw/zinc/28/13/80/484281380.db2.gz QTUDQRJKCOHUBK-KGLIPLIRSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc(N4CCOCC4)cn3)CCN2C1=O ZINC000579854236 484280337 /nfs/dbraw/zinc/28/03/37/484280337.db2.gz QTUDQRJKCOHUBK-UONOGXRCSA-N 0 3 360.418 -0.306 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc(N4CCOCC4)cn3)CCN2C1=O ZINC000579854237 484280488 /nfs/dbraw/zinc/28/04/88/484280488.db2.gz QTUDQRJKCOHUBK-ZIAGYGMSSA-N 0 3 360.418 -0.306 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000579856781 484281137 /nfs/dbraw/zinc/28/11/37/484281137.db2.gz XKTREPBHQDBYHD-UHFFFAOYSA-N 0 3 364.450 -0.745 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000579857543 484280441 /nfs/dbraw/zinc/28/04/41/484280441.db2.gz ACYYBZFSCWYZJX-SECBINFHSA-N 0 3 362.477 -0.548 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000579857544 484281174 /nfs/dbraw/zinc/28/11/74/484281174.db2.gz ACYYBZFSCWYZJX-VIFPVBQESA-N 0 3 362.477 -0.548 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000579858398 484280734 /nfs/dbraw/zinc/28/07/34/484280734.db2.gz ZOOOZAUDVCDYLE-GJZGRUSLSA-N 0 3 355.460 -0.203 20 0 FBADHN CS(=O)(=O)c1ccccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579860443 484281348 /nfs/dbraw/zinc/28/13/48/484281348.db2.gz HOWXAXXBBAYOPV-GHMZBOCLSA-N 0 3 352.416 -0.134 20 0 FBADHN CS(=O)(=O)c1ccccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579860444 484280501 /nfs/dbraw/zinc/28/05/01/484280501.db2.gz HOWXAXXBBAYOPV-MNOVXSKESA-N 0 3 352.416 -0.134 20 0 FBADHN CS(=O)(=O)c1ccccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579860445 484280944 /nfs/dbraw/zinc/28/09/44/484280944.db2.gz HOWXAXXBBAYOPV-QWRGUYRKSA-N 0 3 352.416 -0.134 20 0 FBADHN CS(=O)(=O)c1ccccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579860446 484280703 /nfs/dbraw/zinc/28/07/03/484280703.db2.gz HOWXAXXBBAYOPV-WDEREUQCSA-N 0 3 352.416 -0.134 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)NCCN(C)C ZINC000579861430 484281537 /nfs/dbraw/zinc/28/15/37/484281537.db2.gz RNLSDUYZJKCCMN-LBPRGKRZSA-N 0 3 369.466 -0.475 20 0 FBADHN CCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000579861836 484281338 /nfs/dbraw/zinc/28/13/38/484281338.db2.gz SSHOQUCZBMPYOG-DZGCQCFKSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000579861837 484280653 /nfs/dbraw/zinc/28/06/53/484280653.db2.gz SSHOQUCZBMPYOG-HIFRSBDPSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000579861838 484280638 /nfs/dbraw/zinc/28/06/38/484280638.db2.gz SSHOQUCZBMPYOG-UKRRQHHQSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000579861839 484281004 /nfs/dbraw/zinc/28/10/04/484281004.db2.gz SSHOQUCZBMPYOG-ZFWWWQNUSA-N 0 3 360.414 -0.528 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000579869555 484281450 /nfs/dbraw/zinc/28/14/50/484281450.db2.gz FLGWUSWLLNRZET-LLVKDONJSA-N 0 3 356.448 -0.609 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000579869556 484280416 /nfs/dbraw/zinc/28/04/16/484280416.db2.gz FLGWUSWLLNRZET-NSHDSACASA-N 0 3 356.448 -0.609 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCC(C)(C)O ZINC000579870683 484280461 /nfs/dbraw/zinc/28/04/61/484280461.db2.gz CPDSESBADKZZKM-CYBMUJFWSA-N 0 3 356.467 -0.678 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCC(C)(C)O ZINC000579870684 484280971 /nfs/dbraw/zinc/28/09/71/484280971.db2.gz CPDSESBADKZZKM-ZDUSSCGKSA-N 0 3 356.467 -0.678 20 0 FBADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000579874918 484281478 /nfs/dbraw/zinc/28/14/78/484281478.db2.gz ZEJHRRQTHJHINT-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000579874919 484280850 /nfs/dbraw/zinc/28/08/50/484280850.db2.gz ZEJHRRQTHJHINT-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000579874920 484280784 /nfs/dbraw/zinc/28/07/84/484280784.db2.gz ZEJHRRQTHJHINT-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000579874921 484281510 /nfs/dbraw/zinc/28/15/10/484281510.db2.gz ZEJHRRQTHJHINT-LSDHHAIUSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)C(=O)Cn1ccc(=NC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)[nH]1 ZINC000579905824 484283009 /nfs/dbraw/zinc/28/30/09/484283009.db2.gz JJOFPTJWGHWGCX-UHFFFAOYSA-N 0 3 374.449 -0.078 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCn2cnc3ccccc32)[C@@H](CN)C1 ZINC000579935952 484284250 /nfs/dbraw/zinc/28/42/50/484284250.db2.gz ZYAISPGTWMBWCR-AWEZNQCLSA-N 0 3 358.446 -0.356 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCn2cnc3ccccc32)[C@H](CN)C1 ZINC000579935953 484284067 /nfs/dbraw/zinc/28/40/67/484284067.db2.gz ZYAISPGTWMBWCR-CQSZACIVSA-N 0 3 358.446 -0.356 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 ZINC000579949131 484283688 /nfs/dbraw/zinc/28/36/88/484283688.db2.gz WOUHTHJQXCRVOL-KFWWJZLASA-N 0 3 368.478 -0.089 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000579949132 484284411 /nfs/dbraw/zinc/28/44/11/484284411.db2.gz WOUHTHJQXCRVOL-QLFBSQMISA-N 0 3 368.478 -0.089 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 ZINC000579949133 484283801 /nfs/dbraw/zinc/28/38/01/484283801.db2.gz WOUHTHJQXCRVOL-RBSFLKMASA-N 0 3 368.478 -0.089 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000579949134 484283897 /nfs/dbraw/zinc/28/38/97/484283897.db2.gz WOUHTHJQXCRVOL-ZNMIVQPWSA-N 0 3 368.478 -0.089 20 0 FBADHN COC[C@@]1(CO)CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000579952812 484283831 /nfs/dbraw/zinc/28/38/31/484283831.db2.gz QOSAFRYRSHTIMZ-APWZRJJASA-N 0 3 361.442 -0.072 20 0 FBADHN COC[C@@]1(CO)CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000579952813 484284299 /nfs/dbraw/zinc/28/42/99/484284299.db2.gz QOSAFRYRSHTIMZ-LPHOPBHVSA-N 0 3 361.442 -0.072 20 0 FBADHN COC[C@]1(CO)CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000579952814 484284078 /nfs/dbraw/zinc/28/40/78/484284078.db2.gz QOSAFRYRSHTIMZ-QFBILLFUSA-N 0 3 361.442 -0.072 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COCCN(C)C[C@@H](O)CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000580213275 484376896 /nfs/dbraw/zinc/37/68/96/484376896.db2.gz LRAAWUJCGGRCIJ-LSDHHAIUSA-N 0 3 363.524 -0.281 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCC(=O)N3CCc4ccccc43)CCN2C1=O ZINC000580215640 484378752 /nfs/dbraw/zinc/37/87/52/484378752.db2.gz VZAXKJDKNKWSCX-KBPBESRZSA-N 0 3 357.414 -0.471 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCC(=O)N3CCc4ccccc43)CCN2C1=O ZINC000580215641 484379374 /nfs/dbraw/zinc/37/93/74/484379374.db2.gz VZAXKJDKNKWSCX-KGLIPLIRSA-N 0 3 357.414 -0.471 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCC(=O)N3CCc4ccccc43)CCN2C1=O ZINC000580215642 484379362 /nfs/dbraw/zinc/37/93/62/484379362.db2.gz VZAXKJDKNKWSCX-UONOGXRCSA-N 0 3 357.414 -0.471 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCC(=O)N3CCc4ccccc43)CCN2C1=O ZINC000580215643 484379455 /nfs/dbraw/zinc/37/94/55/484379455.db2.gz VZAXKJDKNKWSCX-ZIAGYGMSSA-N 0 3 357.414 -0.471 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)CN1CCN(C)CC1 ZINC000580224465 484389325 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CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000580341701 484078629 /nfs/dbraw/zinc/07/86/29/484078629.db2.gz IHJNYDQBVQBXCX-KBPBESRZSA-N 0 3 374.445 -0.592 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000580341702 484078975 /nfs/dbraw/zinc/07/89/75/484078975.db2.gz IHJNYDQBVQBXCX-KGLIPLIRSA-N 0 3 374.445 -0.592 20 0 FBADHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000580341703 484079386 /nfs/dbraw/zinc/07/93/86/484079386.db2.gz IHJNYDQBVQBXCX-UONOGXRCSA-N 0 3 374.445 -0.592 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000580341704 484079604 /nfs/dbraw/zinc/07/96/04/484079604.db2.gz IHJNYDQBVQBXCX-ZIAGYGMSSA-N 0 3 374.445 -0.592 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C[C@@H]1O ZINC000580342893 484078677 /nfs/dbraw/zinc/07/86/77/484078677.db2.gz DDQRAROUBNHVDI-IRXDYDNUSA-N 0 3 368.522 -0.256 20 0 FBADHN C[C@@H](N1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1)C(F)(F)F ZINC000580367747 484487709 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C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC2(CCOCC2)O1 ZINC000580405689 484643661 /nfs/dbraw/zinc/64/36/61/484643661.db2.gz DDOQDHYPVRIJGH-SOUVJXGZSA-N 0 3 351.447 -0.055 20 0 FBADHN CO[C@@H](CN)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000580425954 485000364 /nfs/dbraw/zinc/00/03/64/485000364.db2.gz TVLHFRCRHLDHHM-AWEZNQCLSA-N 0 3 357.432 -0.703 20 0 FBADHN CO[C@H](CN)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000580425955 485000446 /nfs/dbraw/zinc/00/04/46/485000446.db2.gz TVLHFRCRHLDHHM-CQSZACIVSA-N 0 3 357.432 -0.703 20 0 FBADHN O=C(CCOC1CNC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000580427022 485000907 /nfs/dbraw/zinc/00/09/07/485000907.db2.gz XVXNQBMNEVVPGJ-UHFFFAOYSA-N 0 3 371.445 -0.315 20 0 FBADHN CSC[C@@H](O)CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000580435100 485001685 /nfs/dbraw/zinc/00/16/85/485001685.db2.gz NATPHHGIELIJQF-AWEZNQCLSA-N 0 3 374.532 -0.153 20 0 FBADHN CSC[C@H](O)CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000580435103 485002507 /nfs/dbraw/zinc/00/25/07/485002507.db2.gz 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CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Nc3ncccn3)C2)[C@@H](CN)C1 ZINC000580445272 485007512 /nfs/dbraw/zinc/00/75/12/485007512.db2.gz QDXGMXFHJRGMSV-MGPQQGTHSA-N 0 3 362.434 -0.546 20 0 FBADHN Cn1cc(-c2ccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)nn2)cn1 ZINC000580451572 484485176 /nfs/dbraw/zinc/48/51/76/484485176.db2.gz IQBOMDFKSQLJKC-NEPJUHHUSA-N 0 3 356.390 -0.347 20 0 FBADHN Cn1cc(-c2ccc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)nn2)cn1 ZINC000580451573 484484845 /nfs/dbraw/zinc/48/48/45/484484845.db2.gz IQBOMDFKSQLJKC-NWDGAFQWSA-N 0 3 356.390 -0.347 20 0 FBADHN Cn1cc(-c2ccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)nn2)cn1 ZINC000580451574 484484584 /nfs/dbraw/zinc/48/45/84/484484584.db2.gz IQBOMDFKSQLJKC-RYUDHWBXSA-N 0 3 356.390 -0.347 20 0 FBADHN Cn1cc(-c2ccc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)nn2)cn1 ZINC000580451575 484484691 /nfs/dbraw/zinc/48/46/91/484484691.db2.gz IQBOMDFKSQLJKC-VXGBXAGGSA-N 0 3 356.390 -0.347 20 0 FBADHN COC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000580452139 485004720 /nfs/dbraw/zinc/00/47/20/485004720.db2.gz PELPPZXSQMORJT-GXSJLCMTSA-N 0 3 352.416 -0.012 20 0 FBADHN COC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000580452140 485004842 /nfs/dbraw/zinc/00/48/42/485004842.db2.gz PELPPZXSQMORJT-KOLCDFICSA-N 0 3 352.416 -0.012 20 0 FBADHN COC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000580452141 485004965 /nfs/dbraw/zinc/00/49/65/485004965.db2.gz PELPPZXSQMORJT-MWLCHTKSSA-N 0 3 352.416 -0.012 20 0 FBADHN COC(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000580452142 485005496 /nfs/dbraw/zinc/00/54/96/485005496.db2.gz PELPPZXSQMORJT-ONGXEEELSA-N 0 3 352.416 -0.012 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000580452405 485005225 /nfs/dbraw/zinc/00/52/25/485005225.db2.gz TWFFBWJTDLGNDQ-DZGCQCFKSA-N 0 3 360.414 -0.876 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000580452406 485005075 /nfs/dbraw/zinc/00/50/75/485005075.db2.gz TWFFBWJTDLGNDQ-HIFRSBDPSA-N 0 3 360.414 -0.876 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000580452407 485005212 /nfs/dbraw/zinc/00/52/12/485005212.db2.gz TWFFBWJTDLGNDQ-UKRRQHHQSA-N 0 3 360.414 -0.876 20 0 FBADHN COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000580452408 485005160 /nfs/dbraw/zinc/00/51/60/485005160.db2.gz TWFFBWJTDLGNDQ-ZFWWWQNUSA-N 0 3 360.414 -0.876 20 0 FBADHN CC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000580452477 485005395 /nfs/dbraw/zinc/00/53/95/485005395.db2.gz WGQBQAFCONYUCC-CABCVRRESA-N 0 3 373.413 -0.968 20 0 FBADHN CC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000580452478 485005858 /nfs/dbraw/zinc/00/58/58/485005858.db2.gz WGQBQAFCONYUCC-GJZGRUSLSA-N 0 3 373.413 -0.968 20 0 FBADHN CC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000580452479 485004950 /nfs/dbraw/zinc/00/49/50/485004950.db2.gz WGQBQAFCONYUCC-HUUCEWRRSA-N 0 3 373.413 -0.968 20 0 FBADHN CC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000580452480 485004905 /nfs/dbraw/zinc/00/49/05/485004905.db2.gz WGQBQAFCONYUCC-LSDHHAIUSA-N 0 3 373.413 -0.968 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000580457587 485006809 /nfs/dbraw/zinc/00/68/09/485006809.db2.gz AQMZWPWNOWEHJZ-UHFFFAOYSA-N 0 3 366.418 -0.742 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)nc3)CCN2C1=O ZINC000580466635 485013818 /nfs/dbraw/zinc/01/38/18/485013818.db2.gz HHXDNNIQQWFYBD-NXEZZACHSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)nc3)CCN2C1=O ZINC000580466636 485012982 /nfs/dbraw/zinc/01/29/82/485012982.db2.gz HHXDNNIQQWFYBD-UWVGGRQHSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)nc3)CCN2C1=O ZINC000580466637 485013597 /nfs/dbraw/zinc/01/35/97/485013597.db2.gz HHXDNNIQQWFYBD-VHSXEESVSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)nc3)CCN2C1=O ZINC000580466638 485013723 /nfs/dbraw/zinc/01/37/23/485013723.db2.gz HHXDNNIQQWFYBD-ZJUUUORDSA-N 0 3 371.319 -0.191 20 0 FBADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000580466667 485013505 /nfs/dbraw/zinc/01/35/05/485013505.db2.gz IHCUFTOESIFZOZ-CVEARBPZSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000580466668 485012910 /nfs/dbraw/zinc/01/29/10/485012910.db2.gz IHCUFTOESIFZOZ-HOTGVXAUSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000580466669 485013579 /nfs/dbraw/zinc/01/35/79/485013579.db2.gz IHCUFTOESIFZOZ-HZPDHXFCSA-N 0 3 371.441 -0.004 20 0 FBADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000580466670 485013134 /nfs/dbraw/zinc/01/31/34/485013134.db2.gz IHCUFTOESIFZOZ-JKSUJKDBSA-N 0 3 371.441 -0.004 20 0 FBADHN CN(C)CCn1nccc1NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000580471863 485012717 /nfs/dbraw/zinc/01/27/17/485012717.db2.gz KELJPZXSJWXFIW-UHFFFAOYSA-N 0 3 373.417 -0.565 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000580479866 485021213 /nfs/dbraw/zinc/02/12/13/485021213.db2.gz JUPXNIXLYONASG-KBPBESRZSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000580479870 485021370 /nfs/dbraw/zinc/02/13/70/485021370.db2.gz JUPXNIXLYONASG-KGLIPLIRSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000580479872 485021040 /nfs/dbraw/zinc/02/10/40/485021040.db2.gz JUPXNIXLYONASG-UONOGXRCSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000580479873 485020707 /nfs/dbraw/zinc/02/07/07/485020707.db2.gz JUPXNIXLYONASG-ZIAGYGMSSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)CCOc1cc(C(=O)NCCNS(=O)(=O)N(C)C)ccn1 ZINC000580529432 484018010 /nfs/dbraw/zinc/01/80/10/484018010.db2.gz YWAFJSCQIPKDRM-UHFFFAOYSA-N 0 3 359.452 -0.852 20 0 FBADHN CCN1CCN(c2ccc(C(=O)N3CCN(CC(N)=O)C(=O)C3)cc2)CC1 ZINC000580529777 484017768 /nfs/dbraw/zinc/01/77/68/484017768.db2.gz ZHMXFTIWPBWHTL-UHFFFAOYSA-N 0 3 373.457 -0.402 20 0 FBADHN Cn1ccnc1[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccccc1 ZINC000580533404 484021496 /nfs/dbraw/zinc/02/14/96/484021496.db2.gz CMJXLWYNVHJNSU-CVEARBPZSA-N 0 3 370.457 -0.273 20 0 FBADHN Cn1ccnc1[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1 ZINC000580533405 484019938 /nfs/dbraw/zinc/01/99/38/484019938.db2.gz CMJXLWYNVHJNSU-HOTGVXAUSA-N 0 3 370.457 -0.273 20 0 FBADHN Cn1ccnc1[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccccc1 ZINC000580533406 484021345 /nfs/dbraw/zinc/02/13/45/484021345.db2.gz CMJXLWYNVHJNSU-HZPDHXFCSA-N 0 3 370.457 -0.273 20 0 FBADHN Cn1ccnc1[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1 ZINC000580533407 484020327 /nfs/dbraw/zinc/02/03/27/484020327.db2.gz CMJXLWYNVHJNSU-JKSUJKDBSA-N 0 3 370.457 -0.273 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1=O ZINC000580534542 484020471 /nfs/dbraw/zinc/02/04/71/484020471.db2.gz OULIXAOFCYTFKS-HNNXBMFYSA-N 0 3 368.478 -0.458 20 0 FBADHN COCCN1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1=O ZINC000580534543 484020622 /nfs/dbraw/zinc/02/06/22/484020622.db2.gz OULIXAOFCYTFKS-OAHLLOKOSA-N 0 3 368.478 -0.458 20 0 FBADHN CCCN(CC)C[C@@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000580537314 484024405 /nfs/dbraw/zinc/02/44/05/484024405.db2.gz JGGDTTIQMFWLKH-CYBMUJFWSA-N 0 3 370.541 -0.482 20 0 FBADHN C[C@H]1CN(C(C)(C)CNC(=O)NCC(=O)N2CCNCC2)C[C@H](C)O1 ZINC000580539078 484047975 /nfs/dbraw/zinc/04/79/75/484047975.db2.gz FMBZRVKYMQCLHU-KBPBESRZSA-N 0 3 355.483 -0.395 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)NCC(=O)N2CCNCC2)C[C@H](C)O1 ZINC000580539079 484047220 /nfs/dbraw/zinc/04/72/20/484047220.db2.gz FMBZRVKYMQCLHU-OKILXGFUSA-N 0 3 355.483 -0.395 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)NCC(=O)N2CCNCC2)C[C@@H](C)O1 ZINC000580539080 484047185 /nfs/dbraw/zinc/04/71/85/484047185.db2.gz FMBZRVKYMQCLHU-ZIAGYGMSSA-N 0 3 355.483 -0.395 20 0 FBADHN O=C(NC1CNC1)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000580541018 484072944 /nfs/dbraw/zinc/07/29/44/484072944.db2.gz IXGIADBLADAYSK-AWEZNQCLSA-N 0 3 366.368 -0.340 20 0 FBADHN O=C(NC1CNC1)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000580541019 484073308 /nfs/dbraw/zinc/07/33/08/484073308.db2.gz IXGIADBLADAYSK-CQSZACIVSA-N 0 3 366.368 -0.340 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580543733 484087967 /nfs/dbraw/zinc/08/79/67/484087967.db2.gz PQVVDOORSXZSRA-HLLBOEOZSA-N 0 3 370.494 -0.873 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000580543734 484088028 /nfs/dbraw/zinc/08/80/28/484088028.db2.gz PQVVDOORSXZSRA-INMHGKMJSA-N 0 3 370.494 -0.873 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580543735 484087890 /nfs/dbraw/zinc/08/78/90/484087890.db2.gz PQVVDOORSXZSRA-UXLLHSPISA-N 0 3 370.494 -0.873 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580543736 484087796 /nfs/dbraw/zinc/08/77/96/484087796.db2.gz PQVVDOORSXZSRA-ZOBUZTSGSA-N 0 3 370.494 -0.873 20 0 FBADHN CCOC(=O)c1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)nc1C ZINC000580549451 484404637 /nfs/dbraw/zinc/40/46/37/484404637.db2.gz MXTQERJVJUIHPJ-UHFFFAOYSA-N 0 3 359.390 0.347 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000580552457 484091535 /nfs/dbraw/zinc/09/15/35/484091535.db2.gz YEMGIWKURBSQSK-AWEZNQCLSA-N 0 3 362.496 -0.386 20 0 FBADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000580552458 484091880 /nfs/dbraw/zinc/09/18/80/484091880.db2.gz YEMGIWKURBSQSK-CQSZACIVSA-N 0 3 362.496 -0.386 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580552514 484091853 /nfs/dbraw/zinc/09/18/53/484091853.db2.gz DWNCQWGEUJQVJF-CYBMUJFWSA-N 0 3 370.450 -0.390 20 0 FBADHN O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580552515 484090824 /nfs/dbraw/zinc/09/08/24/484090824.db2.gz DWNCQWGEUJQVJF-ZDUSSCGKSA-N 0 3 370.450 -0.390 20 0 FBADHN CCOC(=O)CC[C@@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000580553977 484091230 /nfs/dbraw/zinc/09/12/30/484091230.db2.gz KDURSQVRCRCFKP-GFCCVEGCSA-N 0 3 354.494 -0.341 20 0 FBADHN CCOC(=O)CC[C@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000580553978 484091645 /nfs/dbraw/zinc/09/16/45/484091645.db2.gz KDURSQVRCRCFKP-LBPRGKRZSA-N 0 3 354.494 -0.341 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCc3cncn3C2)cn1 ZINC000580555783 484091622 /nfs/dbraw/zinc/09/16/22/484091622.db2.gz YPVDUPOUFUWRCH-CYBMUJFWSA-N 0 3 359.434 -0.042 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCc3cncn3C2)cn1 ZINC000580555784 484091206 /nfs/dbraw/zinc/09/12/06/484091206.db2.gz YPVDUPOUFUWRCH-ZDUSSCGKSA-N 0 3 359.434 -0.042 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000580569702 484092636 /nfs/dbraw/zinc/09/26/36/484092636.db2.gz BOWNUJQDEIPNAC-AWEZNQCLSA-N 0 3 351.451 -0.163 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000580569702 484092631 /nfs/dbraw/zinc/09/26/31/484092631.db2.gz BOWNUJQDEIPNAC-AWEZNQCLSA-N 0 3 351.451 -0.163 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000580569703 484092950 /nfs/dbraw/zinc/09/29/50/484092950.db2.gz BOWNUJQDEIPNAC-CQSZACIVSA-N 0 3 351.451 -0.163 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC000580569703 484092940 /nfs/dbraw/zinc/09/29/40/484092940.db2.gz BOWNUJQDEIPNAC-CQSZACIVSA-N 0 3 351.451 -0.163 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)CCN2C1=O ZINC000580580084 484095456 /nfs/dbraw/zinc/09/54/56/484095456.db2.gz ACKAIKFBNQTMEK-BPLDGKMQSA-N 0 3 372.425 -0.233 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)CCN2C1=O ZINC000580580085 484095172 /nfs/dbraw/zinc/09/51/72/484095172.db2.gz ACKAIKFBNQTMEK-CFVMTHIKSA-N 0 3 372.425 -0.233 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)CCN2C1=O ZINC000580580086 484095194 /nfs/dbraw/zinc/09/51/94/484095194.db2.gz ACKAIKFBNQTMEK-NWANDNLSSA-N 0 3 372.425 -0.233 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)CCN2C1=O ZINC000580580087 484094914 /nfs/dbraw/zinc/09/49/14/484094914.db2.gz ACKAIKFBNQTMEK-YUELXQCFSA-N 0 3 372.425 -0.233 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580580744 484094716 /nfs/dbraw/zinc/09/47/16/484094716.db2.gz GCEDASVHZMTGLB-AJNGGQMLSA-N 0 3 365.478 -0.023 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580580745 484094868 /nfs/dbraw/zinc/09/48/68/484094868.db2.gz GCEDASVHZMTGLB-XGUBFFRZSA-N 0 3 365.478 -0.023 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580580746 484094611 /nfs/dbraw/zinc/09/46/11/484094611.db2.gz GCEDASVHZMTGLB-XQLPTFJDSA-N 0 3 365.478 -0.023 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580580747 484094224 /nfs/dbraw/zinc/09/42/24/484094224.db2.gz GCEDASVHZMTGLB-YJNKXOJESA-N 0 3 365.478 -0.023 20 0 FBADHN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580582135 484095430 /nfs/dbraw/zinc/09/54/30/484095430.db2.gz MIPVPEYJAUDFLM-CMPLNLGQSA-N 0 3 370.413 -0.065 20 0 FBADHN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580582136 484095478 /nfs/dbraw/zinc/09/54/78/484095478.db2.gz MIPVPEYJAUDFLM-JQWIXIFHSA-N 0 3 370.413 -0.065 20 0 FBADHN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580582149 484095330 /nfs/dbraw/zinc/09/53/30/484095330.db2.gz MIPVPEYJAUDFLM-PWSUYJOCSA-N 0 3 370.413 -0.065 20 0 FBADHN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580582156 484094456 /nfs/dbraw/zinc/09/44/56/484094456.db2.gz MIPVPEYJAUDFLM-ZYHUDNBSSA-N 0 3 370.413 -0.065 20 0 FBADHN C[C@@H](Cn1cccn1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000580585361 484094666 /nfs/dbraw/zinc/09/46/66/484094666.db2.gz LGMCJZNNEQYQKM-HNNXBMFYSA-N 0 3 350.467 -0.516 20 0 FBADHN C[C@H](Cn1cccn1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000580585362 484094553 /nfs/dbraw/zinc/09/45/53/484094553.db2.gz LGMCJZNNEQYQKM-OAHLLOKOSA-N 0 3 350.467 -0.516 20 0 FBADHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@@H](C)C1 ZINC000580591259 484097127 /nfs/dbraw/zinc/09/71/27/484097127.db2.gz AOYYYTZTAKDHGF-OBJOEFQTSA-N 0 3 355.464 -0.281 20 0 FBADHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@@H](C)C1 ZINC000580591260 484096976 /nfs/dbraw/zinc/09/69/76/484096976.db2.gz AOYYYTZTAKDHGF-OUCADQQQSA-N 0 3 355.464 -0.281 20 0 FBADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@@H](C)C1 ZINC000580591261 484096497 /nfs/dbraw/zinc/09/64/97/484096497.db2.gz AOYYYTZTAKDHGF-SCRDCRAPSA-N 0 3 355.464 -0.281 20 0 FBADHN C[C@H]1C[C@H]1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@@H](C)C1 ZINC000580591262 484096191 /nfs/dbraw/zinc/09/61/91/484096191.db2.gz AOYYYTZTAKDHGF-SGMGOOAPSA-N 0 3 355.464 -0.281 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000580592106 484096262 /nfs/dbraw/zinc/09/62/62/484096262.db2.gz FWIZRRFHIKHLOM-GOSISDBHSA-N 0 3 373.413 -0.182 20 0 FBADHN COC(=O)c1cn(CCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000580592107 484097076 /nfs/dbraw/zinc/09/70/76/484097076.db2.gz FWIZRRFHIKHLOM-SFHVURJKSA-N 0 3 373.413 -0.182 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC2=CCN(C)CC2)C1 ZINC000580592934 484097011 /nfs/dbraw/zinc/09/70/11/484097011.db2.gz QBAGUUFMNXUDLN-CQSZACIVSA-N 0 3 359.496 -0.182 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccsc1 ZINC000580634204 484102168 /nfs/dbraw/zinc/10/21/68/484102168.db2.gz FBAPFDUWKIUCDP-CYBMUJFWSA-N 0 3 367.475 -0.985 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccsc1 ZINC000580634219 484101779 /nfs/dbraw/zinc/10/17/79/484101779.db2.gz FBAPFDUWKIUCDP-ZDUSSCGKSA-N 0 3 367.475 -0.985 20 0 FBADHN CCOC(=O)c1ncn(C2CCN(C(=O)COC3CNC3)CC2)c1N ZINC000580644249 484102723 /nfs/dbraw/zinc/10/27/23/484102723.db2.gz LKZGZQSTJCHCGX-UHFFFAOYSA-N 0 3 351.407 -0.206 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000580647314 484103299 /nfs/dbraw/zinc/10/32/99/484103299.db2.gz QFEOIIZDAOSSLB-DOTOQJQBSA-N 0 3 359.474 -0.567 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000580647323 484103261 /nfs/dbraw/zinc/10/32/61/484103261.db2.gz QFEOIIZDAOSSLB-NVXWUHKLSA-N 0 3 359.474 -0.567 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000580647324 484103555 /nfs/dbraw/zinc/10/35/55/484103555.db2.gz QFEOIIZDAOSSLB-RDJZCZTQSA-N 0 3 359.474 -0.567 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000580647454 484103176 /nfs/dbraw/zinc/10/31/76/484103176.db2.gz QFEOIIZDAOSSLB-WBVHZDCISA-N 0 3 359.474 -0.567 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2ccc(C[NH3+])cc2)cn1C ZINC000580649543 484102947 /nfs/dbraw/zinc/10/29/47/484102947.db2.gz PBVPEDKMPQOGSA-UHFFFAOYSA-N 0 3 351.432 -0.218 20 0 FBADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H](C)CN(C)C(C)C ZINC000580651742 484412121 /nfs/dbraw/zinc/41/21/21/484412121.db2.gz ZGJJIWUZUUWNOT-NSHDSACASA-N 0 3 353.423 0.380 20 0 FBADHN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cn1 ZINC000580657199 484105258 /nfs/dbraw/zinc/10/52/58/484105258.db2.gz VZCTWRYMCKEXHY-YHUYYLMFSA-N 0 3 352.435 -0.260 20 0 FBADHN NS(=O)(=O)c1ccc(CNCCCN2CCNC(=O)C2)cc1Cl ZINC000580657965 484104808 /nfs/dbraw/zinc/10/48/08/484104808.db2.gz DWOYXORJJXRFSJ-UHFFFAOYSA-N 0 3 360.867 -0.101 20 0 FBADHN COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000580658499 484105294 /nfs/dbraw/zinc/10/52/94/484105294.db2.gz AVDWRFGZCFPYRN-GFCCVEGCSA-N 0 3 360.440 -0.887 20 0 FBADHN COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000580658506 484104677 /nfs/dbraw/zinc/10/46/77/484104677.db2.gz AVDWRFGZCFPYRN-LBPRGKRZSA-N 0 3 360.440 -0.887 20 0 FBADHN CCc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc12 ZINC000580658860 484105312 /nfs/dbraw/zinc/10/53/12/484105312.db2.gz GFQWEKIABAVHEI-BXKDBHETSA-N 0 3 365.415 -0.282 20 0 FBADHN CCc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc12 ZINC000580658864 484105056 /nfs/dbraw/zinc/10/50/56/484105056.db2.gz GFQWEKIABAVHEI-CABZTGNLSA-N 0 3 365.415 -0.282 20 0 FBADHN CCc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc12 ZINC000580658867 484105072 /nfs/dbraw/zinc/10/50/72/484105072.db2.gz GFQWEKIABAVHEI-JOYOIKCWSA-N 0 3 365.415 -0.282 20 0 FBADHN CCc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc12 ZINC000580658871 484104994 /nfs/dbraw/zinc/10/49/94/484104994.db2.gz GFQWEKIABAVHEI-SKDRFNHKSA-N 0 3 365.415 -0.282 20 0 FBADHN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000580665587 484104874 /nfs/dbraw/zinc/10/48/74/484104874.db2.gz FZLKUOGIWAPSAO-LLVKDONJSA-N 0 3 356.448 -0.146 20 0 FBADHN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000580665591 484104281 /nfs/dbraw/zinc/10/42/81/484104281.db2.gz FZLKUOGIWAPSAO-NSHDSACASA-N 0 3 356.448 -0.146 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000580706134 484289324 /nfs/dbraw/zinc/28/93/24/484289324.db2.gz ISYFHHQCCOEXMY-AEFFLSMTSA-N 0 3 373.501 -0.088 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000580706135 484289245 /nfs/dbraw/zinc/28/92/45/484289245.db2.gz ISYFHHQCCOEXMY-SJLPKXTDSA-N 0 3 373.501 -0.088 20 0 FBADHN CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CNCCN1C ZINC000580715418 484370266 /nfs/dbraw/zinc/37/02/66/484370266.db2.gz CANZFVHNJSHPJA-AWEZNQCLSA-N 0 3 368.503 -0.345 20 0 FBADHN CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CNCCN1C ZINC000580715419 484370323 /nfs/dbraw/zinc/37/03/23/484370323.db2.gz CANZFVHNJSHPJA-CQSZACIVSA-N 0 3 368.503 -0.345 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000580720250 484290591 /nfs/dbraw/zinc/29/05/91/484290591.db2.gz GIBNUEMDEQTDAX-UHFFFAOYSA-N 0 3 360.462 -0.027 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccccc3F)CCN2C1=O ZINC000580725468 484291190 /nfs/dbraw/zinc/29/11/90/484291190.db2.gz BUTBLAGDZBHRBW-AAEUAGOBSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccccc3F)CCN2C1=O ZINC000580725470 484290125 /nfs/dbraw/zinc/29/01/25/484290125.db2.gz BUTBLAGDZBHRBW-DGCLKSJQSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccccc3F)CCN2C1=O ZINC000580725472 484291228 /nfs/dbraw/zinc/29/12/28/484291228.db2.gz BUTBLAGDZBHRBW-WCQYABFASA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccccc3F)CCN2C1=O ZINC000580725473 484291213 /nfs/dbraw/zinc/29/12/13/484291213.db2.gz BUTBLAGDZBHRBW-YPMHNXCESA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCC3Cc4ccccc4C3)CCN2C1=O ZINC000580726678 484291176 /nfs/dbraw/zinc/29/11/76/484291176.db2.gz ZQNNDZLBUCVICH-DLBZAZTESA-N 0 3 370.453 -0.322 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCC3Cc4ccccc4C3)CCN2C1=O ZINC000580726679 484290248 /nfs/dbraw/zinc/29/02/48/484290248.db2.gz ZQNNDZLBUCVICH-IAGOWNOFSA-N 0 3 370.453 -0.322 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCC3Cc4ccccc4C3)CCN2C1=O ZINC000580726680 484290509 /nfs/dbraw/zinc/29/05/09/484290509.db2.gz ZQNNDZLBUCVICH-IRXDYDNUSA-N 0 3 370.453 -0.322 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCC3Cc4ccccc4C3)CCN2C1=O ZINC000580726681 484290870 /nfs/dbraw/zinc/29/08/70/484290870.db2.gz ZQNNDZLBUCVICH-SJORKVTESA-N 0 3 370.453 -0.322 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCOCCN(C)C)CC2(CCOCC2)O1 ZINC000580734468 484291142 /nfs/dbraw/zinc/29/11/42/484291142.db2.gz DQSSERQCUSKJCP-AWEZNQCLSA-N 0 3 357.451 -0.523 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)CC2(CCOCC2)O1 ZINC000580734470 484290791 /nfs/dbraw/zinc/29/07/91/484290791.db2.gz DQSSERQCUSKJCP-CQSZACIVSA-N 0 3 357.451 -0.523 20 0 FBADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000580736353 484290745 /nfs/dbraw/zinc/29/07/45/484290745.db2.gz QQSXECFARGQNNQ-IBGZPJMESA-N 0 3 372.425 -0.075 20 0 FBADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000580736354 484290186 /nfs/dbraw/zinc/29/01/86/484290186.db2.gz QQSXECFARGQNNQ-LJQANCHMSA-N 0 3 372.425 -0.075 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000580742481 484293006 /nfs/dbraw/zinc/29/30/06/484293006.db2.gz ALPXCDOYSSZTRP-AWEZNQCLSA-N 0 3 353.467 -0.197 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000580742482 484293071 /nfs/dbraw/zinc/29/30/71/484293071.db2.gz ALPXCDOYSSZTRP-CQSZACIVSA-N 0 3 353.467 -0.197 20 0 FBADHN C[C@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCN(C2CC2)C1 ZINC000580755772 484290467 /nfs/dbraw/zinc/29/04/67/484290467.db2.gz FFWOKPYQYXZISP-CYBMUJFWSA-N 0 3 373.457 -0.019 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCN(C2CC2)C1 ZINC000580755775 484290323 /nfs/dbraw/zinc/29/03/23/484290323.db2.gz FFWOKPYQYXZISP-ZDUSSCGKSA-N 0 3 373.457 -0.019 20 0 FBADHN CN1CCN(C[C@H](O)CNCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000580769060 484260270 /nfs/dbraw/zinc/26/02/70/484260270.db2.gz PJXUZGZVJRBXTB-GOSISDBHSA-N 0 3 362.522 -0.469 20 0 FBADHN CN1CCN(C[C@@H](O)CNCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000580769069 484260781 /nfs/dbraw/zinc/26/07/81/484260781.db2.gz PJXUZGZVJRBXTB-SFHVURJKSA-N 0 3 362.522 -0.469 20 0 FBADHN COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000580777307 484292731 /nfs/dbraw/zinc/29/27/31/484292731.db2.gz PHJYHXXMNGLCCW-AWEZNQCLSA-N 0 3 370.475 -0.674 20 0 FBADHN COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000580777308 484292338 /nfs/dbraw/zinc/29/23/38/484292338.db2.gz PHJYHXXMNGLCCW-CQSZACIVSA-N 0 3 370.475 -0.674 20 0 FBADHN CC(C)c1nnc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000580785516 484292059 /nfs/dbraw/zinc/29/20/59/484292059.db2.gz DZJBDBLFIKHMRE-NXEZZACHSA-N 0 3 366.447 -0.952 20 0 FBADHN CC(C)c1nnc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000580785519 484292411 /nfs/dbraw/zinc/29/24/11/484292411.db2.gz DZJBDBLFIKHMRE-UWVGGRQHSA-N 0 3 366.447 -0.952 20 0 FBADHN CC(C)c1nnc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000580785520 484292369 /nfs/dbraw/zinc/29/23/69/484292369.db2.gz DZJBDBLFIKHMRE-VHSXEESVSA-N 0 3 366.447 -0.952 20 0 FBADHN CC(C)c1nnc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000580785521 484293105 /nfs/dbraw/zinc/29/31/05/484293105.db2.gz DZJBDBLFIKHMRE-ZJUUUORDSA-N 0 3 366.447 -0.952 20 0 FBADHN O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@@]1(O)CN2CCC1CC2 ZINC000580789331 484294126 /nfs/dbraw/zinc/29/41/26/484294126.db2.gz MRFLBALZGLNYNS-GOSISDBHSA-N 0 3 361.398 -0.282 20 0 FBADHN O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@]1(O)CN2CCC1CC2 ZINC000580789332 484293644 /nfs/dbraw/zinc/29/36/44/484293644.db2.gz MRFLBALZGLNYNS-SFHVURJKSA-N 0 3 361.398 -0.282 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)c2nc(N)nc(N(C)C)n2)CC1 ZINC000580791231 484511484 /nfs/dbraw/zinc/51/14/84/484511484.db2.gz IPOTXQDSDNUUEX-UHFFFAOYSA-N 0 3 351.455 0.139 20 0 FBADHN COc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)ccc1OCC(N)=O ZINC000580795824 484294446 /nfs/dbraw/zinc/29/44/46/484294446.db2.gz BMANTYGXXZOZMU-LLVKDONJSA-N 0 3 366.418 -0.645 20 0 FBADHN COc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)ccc1OCC(N)=O ZINC000580795825 484293490 /nfs/dbraw/zinc/29/34/90/484293490.db2.gz BMANTYGXXZOZMU-NSHDSACASA-N 0 3 366.418 -0.645 20 0 FBADHN C[C@H](CNC(=O)NCC(=O)NCCN1CCCCCC1)S(C)(=O)=O ZINC000580810852 484294410 /nfs/dbraw/zinc/29/44/10/484294410.db2.gz DDKQNLVSUKKGNC-CYBMUJFWSA-N 0 3 362.496 -0.289 20 0 FBADHN C[C@@H](CNC(=O)NCC(=O)NCCN1CCCCCC1)S(C)(=O)=O ZINC000580810854 484293853 /nfs/dbraw/zinc/29/38/53/484293853.db2.gz DDKQNLVSUKKGNC-ZDUSSCGKSA-N 0 3 362.496 -0.289 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000580813308 484294482 /nfs/dbraw/zinc/29/44/82/484294482.db2.gz UIRILQRLTNJRCI-BXUZGUMPSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000580813311 484294140 /nfs/dbraw/zinc/29/41/40/484294140.db2.gz UIRILQRLTNJRCI-FZMZJTMJSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000580813312 484294362 /nfs/dbraw/zinc/29/43/62/484294362.db2.gz UIRILQRLTNJRCI-RISCZKNCSA-N 0 3 355.464 -0.361 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000580813315 484294047 /nfs/dbraw/zinc/29/40/47/484294047.db2.gz UIRILQRLTNJRCI-SMDDNHRTSA-N 0 3 355.464 -0.361 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000580819432 484293864 /nfs/dbraw/zinc/29/38/64/484293864.db2.gz VWKREXVTFVRFDD-CVEARBPZSA-N 0 3 356.511 -0.052 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000580819433 484294436 /nfs/dbraw/zinc/29/44/36/484294436.db2.gz VWKREXVTFVRFDD-HOTGVXAUSA-N 0 3 356.511 -0.052 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000580819434 484293804 /nfs/dbraw/zinc/29/38/04/484293804.db2.gz VWKREXVTFVRFDD-HZPDHXFCSA-N 0 3 356.511 -0.052 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000580819435 484294988 /nfs/dbraw/zinc/29/49/88/484294988.db2.gz VWKREXVTFVRFDD-JKSUJKDBSA-N 0 3 356.511 -0.052 20 0 FBADHN Cn1cc(CN2CCCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)cn1 ZINC000580819726 484295406 /nfs/dbraw/zinc/29/54/06/484295406.db2.gz LFQUTDHGSKIPLR-SJORKVTESA-N 0 3 374.489 -0.383 20 0 FBADHN CN(CCOc1ccc(F)cc1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000580827964 484295913 /nfs/dbraw/zinc/29/59/13/484295913.db2.gz LTLUILNJPVTQDJ-AWEZNQCLSA-N 0 3 352.410 -0.236 20 0 FBADHN CN(CCOc1ccc(F)cc1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000580827965 484295020 /nfs/dbraw/zinc/29/50/20/484295020.db2.gz LTLUILNJPVTQDJ-CQSZACIVSA-N 0 3 352.410 -0.236 20 0 FBADHN COC[C@@H](O)CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000580828834 484295132 /nfs/dbraw/zinc/29/51/32/484295132.db2.gz NILAOMDRRMYCSR-AWEZNQCLSA-N 0 3 358.464 -0.870 20 0 FBADHN O=C(CN1CCNCC1=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000580832662 484295315 /nfs/dbraw/zinc/29/53/15/484295315.db2.gz RUVJDUBOSIJCFL-KRWDZBQOSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(CN1CCNCC1=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580832663 484295109 /nfs/dbraw/zinc/29/51/09/484295109.db2.gz RUVJDUBOSIJCFL-QGZVFWFLSA-N 0 3 360.458 -0.175 20 0 FBADHN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000580833256 484295142 /nfs/dbraw/zinc/29/51/42/484295142.db2.gz DRGAVTCGXYUYPH-JTQLQIEISA-N 0 3 355.388 -0.391 20 0 FBADHN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000580833257 484295812 /nfs/dbraw/zinc/29/58/12/484295812.db2.gz DRGAVTCGXYUYPH-SNVBAGLBSA-N 0 3 355.388 -0.391 20 0 FBADHN O=C1NCC[C@]12CCCN2CCOCCN1CCC[C@@]12CCNC2=O ZINC000580840915 484296593 /nfs/dbraw/zinc/29/65/93/484296593.db2.gz AJPWGNIJSKMTDS-HDICACEKSA-N 0 3 350.463 -0.288 20 0 FBADHN O=C1NCC[C@]12CCCN2CCOCCN1CCC[C@]12CCNC2=O ZINC000580840917 484296355 /nfs/dbraw/zinc/29/63/55/484296355.db2.gz AJPWGNIJSKMTDS-QZTJIDSGSA-N 0 3 350.463 -0.288 20 0 FBADHN O=C1NCC[C@@]12CCCN2CCOCCN1CCC[C@@]12CCNC2=O ZINC000580840919 484296778 /nfs/dbraw/zinc/29/67/78/484296778.db2.gz AJPWGNIJSKMTDS-ROUUACIJSA-N 0 3 350.463 -0.288 20 0 FBADHN COc1ccccc1Nc1nc(N)nc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000580842081 484507002 /nfs/dbraw/zinc/50/70/02/484507002.db2.gz VQJUQZOIXSXWHE-STQMWFEESA-N 0 3 359.434 -0.265 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@@H]1O ZINC000580842280 484297254 /nfs/dbraw/zinc/29/72/54/484297254.db2.gz BCSQFMQWAMVJJR-RYUDHWBXSA-N 0 3 361.489 -0.413 20 0 FBADHN COC(=O)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000580844522 484296425 /nfs/dbraw/zinc/29/64/25/484296425.db2.gz NVHWZNFCVUKOHE-NXEZZACHSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000580844524 484296619 /nfs/dbraw/zinc/29/66/19/484296619.db2.gz NVHWZNFCVUKOHE-UWVGGRQHSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000580844525 484296687 /nfs/dbraw/zinc/29/66/87/484296687.db2.gz NVHWZNFCVUKOHE-VHSXEESVSA-N 0 3 366.399 -0.756 20 0 FBADHN COC(=O)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000580844527 484297485 /nfs/dbraw/zinc/29/74/85/484297485.db2.gz NVHWZNFCVUKOHE-ZJUUUORDSA-N 0 3 366.399 -0.756 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000580851567 484297783 /nfs/dbraw/zinc/29/77/83/484297783.db2.gz FOYYLMNMYZJFKU-HNNXBMFYSA-N 0 3 365.478 -0.468 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000580851568 484296526 /nfs/dbraw/zinc/29/65/26/484296526.db2.gz FOYYLMNMYZJFKU-OAHLLOKOSA-N 0 3 365.478 -0.468 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000580852874 484297354 /nfs/dbraw/zinc/29/73/54/484297354.db2.gz ANHNJCVPWPZFAB-AWEZNQCLSA-N 0 3 351.451 -0.495 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000580852875 484297270 /nfs/dbraw/zinc/29/72/70/484297270.db2.gz ANHNJCVPWPZFAB-CQSZACIVSA-N 0 3 351.451 -0.495 20 0 FBADHN C[C@@H](NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)NCCN(C)C ZINC000580855129 484296831 /nfs/dbraw/zinc/29/68/31/484296831.db2.gz IXFBSRJKLRPUBI-LLVKDONJSA-N 0 3 370.413 -0.028 20 0 FBADHN C[C@H](NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)NCCN(C)C ZINC000580855130 484297819 /nfs/dbraw/zinc/29/78/19/484297819.db2.gz IXFBSRJKLRPUBI-NSHDSACASA-N 0 3 370.413 -0.028 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)NCCN1C(=O)CNC1=O ZINC000580855782 484297504 /nfs/dbraw/zinc/29/75/04/484297504.db2.gz WEKBDNGOJJMUGT-UHFFFAOYSA-N 0 3 364.406 -0.627 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)NCC(=O)NCCN2CCCCCC2)CCO1 ZINC000580870469 484296473 /nfs/dbraw/zinc/29/64/73/484296473.db2.gz HIWQLNXHMTXQON-AWEZNQCLSA-N 0 3 369.466 -0.865 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)NCC(=O)NCCN2CCCCCC2)CCO1 ZINC000580870470 484296668 /nfs/dbraw/zinc/29/66/68/484296668.db2.gz HIWQLNXHMTXQON-CQSZACIVSA-N 0 3 369.466 -0.865 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1C ZINC000580879032 484299416 /nfs/dbraw/zinc/29/94/16/484299416.db2.gz DHWAKCUEDBIPOX-OAGGEKHMSA-N 0 3 352.479 -0.139 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H]1C ZINC000580879033 484298748 /nfs/dbraw/zinc/29/87/48/484298748.db2.gz DHWAKCUEDBIPOX-XHSDSOJGSA-N 0 3 352.479 -0.139 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc2[nH]ccc21 ZINC000580885332 484299196 /nfs/dbraw/zinc/29/91/96/484299196.db2.gz FVDQULAOTTTXGQ-LLVKDONJSA-N 0 3 362.386 -0.068 20 0 FBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc2[nH]ccc21 ZINC000580885333 484298530 /nfs/dbraw/zinc/29/85/30/484298530.db2.gz FVDQULAOTTTXGQ-NSHDSACASA-N 0 3 362.386 -0.068 20 0 FBADHN CCS(=O)(=O)NCCNC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000580887836 484299442 /nfs/dbraw/zinc/29/94/42/484299442.db2.gz QZISDGVEXYKJAN-CYBMUJFWSA-N 0 3 370.431 -0.607 20 0 FBADHN CCS(=O)(=O)NCCNC[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000580887843 484298790 /nfs/dbraw/zinc/29/87/90/484298790.db2.gz QZISDGVEXYKJAN-ZDUSSCGKSA-N 0 3 370.431 -0.607 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000580889575 484298128 /nfs/dbraw/zinc/29/81/28/484298128.db2.gz NAWFURQXRUSSSP-AWEZNQCLSA-N 0 3 354.451 -0.576 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000580889576 484298506 /nfs/dbraw/zinc/29/85/06/484298506.db2.gz NAWFURQXRUSSSP-CQSZACIVSA-N 0 3 354.451 -0.576 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C[C@H]1CNCCO1 ZINC000580891507 484298907 /nfs/dbraw/zinc/29/89/07/484298907.db2.gz OFAFSYJTWKOSOP-AWEZNQCLSA-N 0 3 371.459 -0.706 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C[C@@H]1CNCCO1 ZINC000580891512 484298399 /nfs/dbraw/zinc/29/83/99/484298399.db2.gz OFAFSYJTWKOSOP-CQSZACIVSA-N 0 3 371.459 -0.706 20 0 FBADHN CCOc1ccccc1C(=O)NCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000580891867 484298767 /nfs/dbraw/zinc/29/87/67/484298767.db2.gz MADSWGLMJOJYJS-UHFFFAOYSA-N 0 3 373.417 -0.019 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000580893686 484298480 /nfs/dbraw/zinc/29/84/80/484298480.db2.gz ZZKXIXSXLCGYCI-DZGCQCFKSA-N 0 3 365.455 -0.236 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000580893687 484298303 /nfs/dbraw/zinc/29/83/03/484298303.db2.gz ZZKXIXSXLCGYCI-HIFRSBDPSA-N 0 3 365.455 -0.236 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000580893688 484298860 /nfs/dbraw/zinc/29/88/60/484298860.db2.gz ZZKXIXSXLCGYCI-UKRRQHHQSA-N 0 3 365.455 -0.236 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000580893689 484298556 /nfs/dbraw/zinc/29/85/56/484298556.db2.gz ZZKXIXSXLCGYCI-ZFWWWQNUSA-N 0 3 365.455 -0.236 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000580894823 484298694 /nfs/dbraw/zinc/29/86/94/484298694.db2.gz QKUODSBJFURESM-HNNXBMFYSA-N 0 3 367.425 -0.227 20 0 FBADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000580895630 484299474 /nfs/dbraw/zinc/29/94/74/484299474.db2.gz LTUTVVJAXUQRKA-CYBMUJFWSA-N 0 3 356.448 -0.083 20 0 FBADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000580895634 484298361 /nfs/dbraw/zinc/29/83/61/484298361.db2.gz LTUTVVJAXUQRKA-ZDUSSCGKSA-N 0 3 356.448 -0.083 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)NCCOc2ccc3c(c2)OCO3)C[C@@H]1O ZINC000580901433 484300946 /nfs/dbraw/zinc/30/09/46/484300946.db2.gz UDCDNGVSJNZAAD-KBPBESRZSA-N 0 3 351.403 -0.483 20 0 FBADHN C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)NCCN(C)C ZINC000580903866 484299772 /nfs/dbraw/zinc/29/97/72/484299772.db2.gz XOUSVKZYMBIFPR-CHWSQXEVSA-N 0 3 352.439 -0.915 20 0 FBADHN C[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)NCCN(C)C ZINC000580903867 484300370 /nfs/dbraw/zinc/30/03/70/484300370.db2.gz XOUSVKZYMBIFPR-OLZOCXBDSA-N 0 3 352.439 -0.915 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N[C@@H](C)C(=O)NCCN(C)C)n1cccn1 ZINC000580903868 484300636 /nfs/dbraw/zinc/30/06/36/484300636.db2.gz XOUSVKZYMBIFPR-QWHCGFSZSA-N 0 3 352.439 -0.915 20 0 FBADHN C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)NCCN(C)C ZINC000580903869 484300618 /nfs/dbraw/zinc/30/06/18/484300618.db2.gz XOUSVKZYMBIFPR-STQMWFEESA-N 0 3 352.439 -0.915 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000580904448 484300040 /nfs/dbraw/zinc/30/00/40/484300040.db2.gz RXHNYTDPJUPYPC-CABCVRRESA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000580904449 484301215 /nfs/dbraw/zinc/30/12/15/484301215.db2.gz RXHNYTDPJUPYPC-GJZGRUSLSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000580904450 484300406 /nfs/dbraw/zinc/30/04/06/484300406.db2.gz RXHNYTDPJUPYPC-HUUCEWRRSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000580904451 484300697 /nfs/dbraw/zinc/30/06/97/484300697.db2.gz RXHNYTDPJUPYPC-LSDHHAIUSA-N 0 3 368.397 -0.419 20 0 FBADHN COC[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000580908685 484300170 /nfs/dbraw/zinc/30/01/70/484300170.db2.gz XEYTTZYUHLODFP-AWEZNQCLSA-N 0 3 354.451 -0.848 20 0 FBADHN COC[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000580908692 484301208 /nfs/dbraw/zinc/30/12/08/484301208.db2.gz XEYTTZYUHLODFP-CQSZACIVSA-N 0 3 354.451 -0.848 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)Oc1ccccc1F ZINC000580942597 484301993 /nfs/dbraw/zinc/30/19/93/484301993.db2.gz ZFJRRTBNMHPLFQ-CHWSQXEVSA-N 0 3 352.410 -0.190 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)Oc1ccccc1F ZINC000580942598 484302689 /nfs/dbraw/zinc/30/26/89/484302689.db2.gz ZFJRRTBNMHPLFQ-OLZOCXBDSA-N 0 3 352.410 -0.190 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)Oc1ccccc1F ZINC000580942599 484302588 /nfs/dbraw/zinc/30/25/88/484302588.db2.gz ZFJRRTBNMHPLFQ-QWHCGFSZSA-N 0 3 352.410 -0.190 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)Oc1ccccc1F ZINC000580942600 484302540 /nfs/dbraw/zinc/30/25/40/484302540.db2.gz ZFJRRTBNMHPLFQ-STQMWFEESA-N 0 3 352.410 -0.190 20 0 FBADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(C)C[C@H]1CN ZINC000580950991 484301815 /nfs/dbraw/zinc/30/18/15/484301815.db2.gz OUOJNBMAWPDIED-CYBMUJFWSA-N 0 3 373.461 -0.521 20 0 FBADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(C)C[C@@H]1CN ZINC000580950992 484302425 /nfs/dbraw/zinc/30/24/25/484302425.db2.gz OUOJNBMAWPDIED-ZDUSSCGKSA-N 0 3 373.461 -0.521 20 0 FBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(C)C[C@@H]3CN)ccc21 ZINC000580951118 484301872 /nfs/dbraw/zinc/30/18/72/484301872.db2.gz VIYOYRHMUHGPQD-INIZCTEOSA-N 0 3 373.457 -0.573 20 0 FBADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(C)C[C@H]3CN)ccc21 ZINC000580951119 484302757 /nfs/dbraw/zinc/30/27/57/484302757.db2.gz VIYOYRHMUHGPQD-MRXNPFEDSA-N 0 3 373.457 -0.573 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000580952719 484301850 /nfs/dbraw/zinc/30/18/50/484301850.db2.gz RBAKWATZDOMQCP-BPLDGKMQSA-N 0 3 360.414 -0.780 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000580952720 484302168 /nfs/dbraw/zinc/30/21/68/484302168.db2.gz RBAKWATZDOMQCP-CFVMTHIKSA-N 0 3 360.414 -0.780 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000580952721 484302892 /nfs/dbraw/zinc/30/28/92/484302892.db2.gz RBAKWATZDOMQCP-NWANDNLSSA-N 0 3 360.414 -0.780 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000580952722 484302954 /nfs/dbraw/zinc/30/29/54/484302954.db2.gz RBAKWATZDOMQCP-YUELXQCFSA-N 0 3 360.414 -0.780 20 0 FBADHN COc1cncc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)n1 ZINC000580955405 484453730 /nfs/dbraw/zinc/45/37/30/484453730.db2.gz ZVOMUTLUPQJNEY-GFCCVEGCSA-N 0 3 351.407 -0.007 20 0 FBADHN COc1cncc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n1 ZINC000580955406 484454137 /nfs/dbraw/zinc/45/41/37/484454137.db2.gz ZVOMUTLUPQJNEY-LBPRGKRZSA-N 0 3 351.407 -0.007 20 0 FBADHN Cn1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)cn1 ZINC000580957348 484302457 /nfs/dbraw/zinc/30/24/57/484302457.db2.gz FMGWDSSUTAGSBL-UHFFFAOYSA-N 0 3 350.423 -0.533 20 0 FBADHN CN(C)[C@H]1CN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1O ZINC000580960924 484304026 /nfs/dbraw/zinc/30/40/26/484304026.db2.gz DZMNQYQMKAIVCW-GJZGRUSLSA-N 0 3 356.444 -0.008 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)CCN2C1=O ZINC000580964032 484303916 /nfs/dbraw/zinc/30/39/16/484303916.db2.gz XBHQSPPFDSXZQH-CHWSQXEVSA-N 0 3 371.397 -0.720 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)CCN2C1=O ZINC000580964033 484304305 /nfs/dbraw/zinc/30/43/05/484304305.db2.gz XBHQSPPFDSXZQH-OLZOCXBDSA-N 0 3 371.397 -0.720 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)CCN2C1=O ZINC000580964034 484304480 /nfs/dbraw/zinc/30/44/80/484304480.db2.gz XBHQSPPFDSXZQH-QWHCGFSZSA-N 0 3 371.397 -0.720 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)CCN2C1=O ZINC000580964035 484303367 /nfs/dbraw/zinc/30/33/67/484303367.db2.gz XBHQSPPFDSXZQH-STQMWFEESA-N 0 3 371.397 -0.720 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3)CCN2C1=O ZINC000580964245 484304690 /nfs/dbraw/zinc/30/46/90/484304690.db2.gz QZRQPHAKPCCVRY-CHWSQXEVSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3)CCN2C1=O ZINC000580964246 484303757 /nfs/dbraw/zinc/30/37/57/484303757.db2.gz QZRQPHAKPCCVRY-OLZOCXBDSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3)CCN2C1=O ZINC000580964247 484304505 /nfs/dbraw/zinc/30/45/05/484304505.db2.gz QZRQPHAKPCCVRY-QWHCGFSZSA-N 0 3 350.806 -0.273 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3)CCN2C1=O ZINC000580964248 484304415 /nfs/dbraw/zinc/30/44/15/484304415.db2.gz QZRQPHAKPCCVRY-STQMWFEESA-N 0 3 350.806 -0.273 20 0 FBADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000580970102 484303536 /nfs/dbraw/zinc/30/35/36/484303536.db2.gz WQMFIEYBGPROQP-CJBNDPTMSA-N 0 3 352.435 -0.380 20 0 FBADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000580970104 484303437 /nfs/dbraw/zinc/30/34/37/484303437.db2.gz WQMFIEYBGPROQP-NDGTYSDOSA-N 0 3 352.435 -0.380 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000580972020 484304267 /nfs/dbraw/zinc/30/42/67/484304267.db2.gz IXIBASRIHFWWDJ-UHFFFAOYSA-N 0 3 356.467 -0.602 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000580989399 484304767 /nfs/dbraw/zinc/30/47/67/484304767.db2.gz QIBGSRRTUDXPID-UHFFFAOYSA-N 0 3 358.464 -0.923 20 0 FBADHN CCOC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000581001301 484303598 /nfs/dbraw/zinc/30/35/98/484303598.db2.gz KIYUDEHLPPVTMQ-HNNXBMFYSA-N 0 3 362.430 -0.419 20 0 FBADHN CCOC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000581001308 484304325 /nfs/dbraw/zinc/30/43/25/484304325.db2.gz KIYUDEHLPPVTMQ-OAHLLOKOSA-N 0 3 362.430 -0.419 20 0 FBADHN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)C2)no1 ZINC000581005936 484304150 /nfs/dbraw/zinc/30/41/50/484304150.db2.gz IGMZSMUUDFWBKV-KBPBESRZSA-N 0 3 364.450 -0.740 20 0 FBADHN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)C2)no1 ZINC000581005937 484304356 /nfs/dbraw/zinc/30/43/56/484304356.db2.gz IGMZSMUUDFWBKV-KGLIPLIRSA-N 0 3 364.450 -0.740 20 0 FBADHN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)C2)no1 ZINC000581005938 484304426 /nfs/dbraw/zinc/30/44/26/484304426.db2.gz IGMZSMUUDFWBKV-UONOGXRCSA-N 0 3 364.450 -0.740 20 0 FBADHN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)C2)no1 ZINC000581005939 484304397 /nfs/dbraw/zinc/30/43/97/484304397.db2.gz IGMZSMUUDFWBKV-ZIAGYGMSSA-N 0 3 364.450 -0.740 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CC3CCCCC3)CC2)[C@@H](CN)C1 ZINC000581005954 484303835 /nfs/dbraw/zinc/30/38/35/484303835.db2.gz JHJQBVGLMMJGMU-KRWDZBQOSA-N 0 3 365.522 -0.188 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CC3CCCCC3)CC2)[C@H](CN)C1 ZINC000581005955 484304751 /nfs/dbraw/zinc/30/47/51/484304751.db2.gz JHJQBVGLMMJGMU-QGZVFWFLSA-N 0 3 365.522 -0.188 20 0 FBADHN CC(=O)c1cccc(OC[C@H](O)CN[C@H](CO)CN2CCOCC2)c1 ZINC000581011946 484303712 /nfs/dbraw/zinc/30/37/12/484303712.db2.gz SLMRNYNUXQDBBM-DLBZAZTESA-N 0 3 352.431 -0.088 20 0 FBADHN CC(=O)c1cccc(OC[C@H](O)CN[C@@H](CO)CN2CCOCC2)c1 ZINC000581011947 484303493 /nfs/dbraw/zinc/30/34/93/484303493.db2.gz SLMRNYNUXQDBBM-IAGOWNOFSA-N 0 3 352.431 -0.088 20 0 FBADHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](CO)CN2CCOCC2)c1 ZINC000581011948 484304198 /nfs/dbraw/zinc/30/41/98/484304198.db2.gz SLMRNYNUXQDBBM-IRXDYDNUSA-N 0 3 352.431 -0.088 20 0 FBADHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](CO)CN2CCOCC2)c1 ZINC000581011949 484303776 /nfs/dbraw/zinc/30/37/76/484303776.db2.gz SLMRNYNUXQDBBM-SJORKVTESA-N 0 3 352.431 -0.088 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000581012504 484305807 /nfs/dbraw/zinc/30/58/07/484305807.db2.gz CMMSASQBNRMVLE-HNNXBMFYSA-N 0 3 361.402 -0.224 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000581019364 484306279 /nfs/dbraw/zinc/30/62/79/484306279.db2.gz CNLKGAVIRMVJFU-CYBMUJFWSA-N 0 3 354.455 -0.860 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000581019365 484306457 /nfs/dbraw/zinc/30/64/57/484306457.db2.gz CNLKGAVIRMVJFU-ZDUSSCGKSA-N 0 3 354.455 -0.860 20 0 FBADHN CCOC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1C ZINC000581022707 484305709 /nfs/dbraw/zinc/30/57/09/484305709.db2.gz FUASRQUEAKGSEP-CMPLNLGQSA-N 0 3 370.431 -0.866 20 0 FBADHN CCOC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1C ZINC000581022708 484306100 /nfs/dbraw/zinc/30/61/00/484306100.db2.gz FUASRQUEAKGSEP-JQWIXIFHSA-N 0 3 370.431 -0.866 20 0 FBADHN CCOC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1C ZINC000581022709 484306478 /nfs/dbraw/zinc/30/64/78/484306478.db2.gz FUASRQUEAKGSEP-PWSUYJOCSA-N 0 3 370.431 -0.866 20 0 FBADHN CCOC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1C ZINC000581022710 484306001 /nfs/dbraw/zinc/30/60/01/484306001.db2.gz FUASRQUEAKGSEP-ZYHUDNBSSA-N 0 3 370.431 -0.866 20 0 FBADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000581023151 484306085 /nfs/dbraw/zinc/30/60/85/484306085.db2.gz SIOGUXURUKDXEJ-OIISXLGYSA-N 0 3 374.441 -0.487 20 0 FBADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000581023152 484306357 /nfs/dbraw/zinc/30/63/57/484306357.db2.gz SIOGUXURUKDXEJ-PVAVHDDUSA-N 0 3 374.441 -0.487 20 0 FBADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000581023153 484306243 /nfs/dbraw/zinc/30/62/43/484306243.db2.gz SIOGUXURUKDXEJ-UAGQMJEPSA-N 0 3 374.441 -0.487 20 0 FBADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000581023154 484306233 /nfs/dbraw/zinc/30/62/33/484306233.db2.gz SIOGUXURUKDXEJ-XIRDDKMYSA-N 0 3 374.441 -0.487 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCOCC(F)(F)C(F)F)CCN2C1=O ZINC000581023552 484305204 /nfs/dbraw/zinc/30/52/04/484305204.db2.gz RMIYFORUHIRQSP-BDAKNGLRSA-N 0 3 356.320 -0.143 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCOCC(F)(F)C(F)F)CCN2C1=O ZINC000581023555 484305830 /nfs/dbraw/zinc/30/58/30/484305830.db2.gz RMIYFORUHIRQSP-DTWKUNHWSA-N 0 3 356.320 -0.143 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCOCC(F)(F)C(F)F)CCN2C1=O ZINC000581023556 484306535 /nfs/dbraw/zinc/30/65/35/484306535.db2.gz RMIYFORUHIRQSP-IUCAKERBSA-N 0 3 356.320 -0.143 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCOCC(F)(F)C(F)F)CCN2C1=O ZINC000581023557 484305738 /nfs/dbraw/zinc/30/57/38/484305738.db2.gz RMIYFORUHIRQSP-RKDXNWHRSA-N 0 3 356.320 -0.143 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000581026403 484306502 /nfs/dbraw/zinc/30/65/02/484306502.db2.gz BBVUEXFVGKUPPD-CRAIPNDOSA-N 0 3 354.495 -0.081 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000581026404 484306406 /nfs/dbraw/zinc/30/64/06/484306406.db2.gz BBVUEXFVGKUPPD-MAUKXSAKSA-N 0 3 354.495 -0.081 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000581026405 484306157 /nfs/dbraw/zinc/30/61/57/484306157.db2.gz BBVUEXFVGKUPPD-QAPCUYQASA-N 0 3 354.495 -0.081 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000581026406 484306563 /nfs/dbraw/zinc/30/65/63/484306563.db2.gz BBVUEXFVGKUPPD-YJBOKZPZSA-N 0 3 354.495 -0.081 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC ZINC000581033022 484308022 /nfs/dbraw/zinc/30/80/22/484308022.db2.gz UESWWRIFFDOVOR-ILXRZTDVSA-N 0 3 357.451 -0.476 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC ZINC000581033023 484307828 /nfs/dbraw/zinc/30/78/28/484307828.db2.gz UESWWRIFFDOVOR-KFWWJZLASA-N 0 3 357.451 -0.476 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC ZINC000581033024 484307604 /nfs/dbraw/zinc/30/76/04/484307604.db2.gz UESWWRIFFDOVOR-QLFBSQMISA-N 0 3 357.451 -0.476 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC ZINC000581033025 484307420 /nfs/dbraw/zinc/30/74/20/484307420.db2.gz UESWWRIFFDOVOR-RBSFLKMASA-N 0 3 357.451 -0.476 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000581033196 484307393 /nfs/dbraw/zinc/30/73/93/484307393.db2.gz XDRZEBFKIQMOON-UHFFFAOYSA-N 0 3 364.446 -0.265 20 0 FBADHN COc1ccc(CN2CCCN(C(=O)C(=O)NC3CNC3)CC2=O)cc1 ZINC000581062192 484307853 /nfs/dbraw/zinc/30/78/53/484307853.db2.gz KHYLIFYTVYXVFI-UHFFFAOYSA-N 0 3 360.414 -0.656 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@H]1c1cccc(F)c1 ZINC000581067227 484308725 /nfs/dbraw/zinc/30/87/25/484308725.db2.gz APIXAOGOAOETEU-QKPAOTATSA-N 0 3 374.416 -0.184 20 0 FBADHN CS[C@@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)C[C@H]1N(C)C ZINC000581075475 484512605 /nfs/dbraw/zinc/51/26/05/484512605.db2.gz TWOLMUSDGJLLSO-GHMZBOCLSA-N 0 3 367.479 -0.592 20 0 FBADHN CS[C@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)C[C@H]1N(C)C ZINC000581075478 484511643 /nfs/dbraw/zinc/51/16/43/484511643.db2.gz TWOLMUSDGJLLSO-MNOVXSKESA-N 0 3 367.479 -0.592 20 0 FBADHN CS[C@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)C[C@@H]1N(C)C ZINC000581075479 484512143 /nfs/dbraw/zinc/51/21/43/484512143.db2.gz TWOLMUSDGJLLSO-QWRGUYRKSA-N 0 3 367.479 -0.592 20 0 FBADHN CS[C@@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)C[C@@H]1N(C)C ZINC000581075480 484511433 /nfs/dbraw/zinc/51/14/33/484511433.db2.gz TWOLMUSDGJLLSO-WDEREUQCSA-N 0 3 367.479 -0.592 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000581078594 484308938 /nfs/dbraw/zinc/30/89/38/484308938.db2.gz YHXCJQGVTGSIIL-AWEZNQCLSA-N 0 3 368.459 -0.163 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000581078596 484308965 /nfs/dbraw/zinc/30/89/65/484308965.db2.gz YHXCJQGVTGSIIL-CQSZACIVSA-N 0 3 368.459 -0.163 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@@H]1O ZINC000581080011 484309131 /nfs/dbraw/zinc/30/91/31/484309131.db2.gz LIIQVAPIYKIQPW-KBPBESRZSA-N 0 3 366.487 -0.361 20 0 FBADHN Cc1ccc(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)cc1S(N)(=O)=O ZINC000581080285 484309513 /nfs/dbraw/zinc/30/95/13/484309513.db2.gz PZEMVQFTKIWEHN-STQMWFEESA-N 0 3 356.448 -0.812 20 0 FBADHN CCCn1cnc2c1c(=O)n(C[C@H](O)CN(C)CCOC)c(=O)n2C ZINC000581083550 484309164 /nfs/dbraw/zinc/30/91/64/484309164.db2.gz ZMMRUSKLWFCSLE-GFCCVEGCSA-N 0 3 353.423 -0.754 20 0 FBADHN CCCn1cnc2c1c(=O)n(C[C@@H](O)CN(C)CCOC)c(=O)n2C ZINC000581083551 484309268 /nfs/dbraw/zinc/30/92/68/484309268.db2.gz ZMMRUSKLWFCSLE-LBPRGKRZSA-N 0 3 353.423 -0.754 20 0 FBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)NC1CCCCC1 ZINC000581085181 484309616 /nfs/dbraw/zinc/30/96/16/484309616.db2.gz OLVBAPWEAZGTQT-UHFFFAOYSA-N 0 3 354.495 -0.058 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCCN(CCOC)C(=O)C1)C1CC1 ZINC000581089612 484309115 /nfs/dbraw/zinc/30/91/15/484309115.db2.gz RISQDDNZHYWPSZ-UHFFFAOYSA-N 0 3 354.451 -0.706 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000581110257 484309948 /nfs/dbraw/zinc/30/99/48/484309948.db2.gz PDKBYFWIFMWVNL-UHFFFAOYSA-N 0 3 363.462 -0.395 20 0 FBADHN Cn1c2sc(C(=O)NCCNc3ccncc3)cc2c(=O)n(C)c1=O ZINC000581112181 484310411 /nfs/dbraw/zinc/31/04/11/484310411.db2.gz FXUUWDKQYPSGRT-UHFFFAOYSA-N 0 3 359.411 -0.043 20 0 FBADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000581117715 484310261 /nfs/dbraw/zinc/31/02/61/484310261.db2.gz OOJZRHBSPOPBDZ-UHFFFAOYSA-N 0 3 352.460 -0.061 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000581121608 484310746 /nfs/dbraw/zinc/31/07/46/484310746.db2.gz RSJXCHLCQGNKIH-LLVKDONJSA-N 0 3 350.485 -0.546 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000581121609 484311213 /nfs/dbraw/zinc/31/12/13/484311213.db2.gz RSJXCHLCQGNKIH-NSHDSACASA-N 0 3 350.485 -0.546 20 0 FBADHN NC(C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C(F)(F)F ZINC000581129540 484310559 /nfs/dbraw/zinc/31/05/59/484310559.db2.gz VHOWRXTYZVMNGI-JTQLQIEISA-N 0 3 352.338 -0.196 20 0 FBADHN NC(C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C(F)(F)F ZINC000581129543 484311259 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COc1ccc(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581202789 484315461 /nfs/dbraw/zinc/31/54/61/484315461.db2.gz VKLXXINYTQGKEI-MNOVXSKESA-N 0 3 350.350 -0.457 20 0 FBADHN COc1ccc(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581202790 484315033 /nfs/dbraw/zinc/31/50/33/484315033.db2.gz VKLXXINYTQGKEI-QWRGUYRKSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1ccc(F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581202791 484316058 /nfs/dbraw/zinc/31/60/58/484316058.db2.gz VKLXXINYTQGKEI-WDEREUQCSA-N 0 3 350.350 -0.457 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CCN2C1=O ZINC000581202863 484316219 /nfs/dbraw/zinc/31/62/19/484316219.db2.gz XPKVEOUXESTNCX-CLCXKQKWSA-N 0 3 356.426 -0.395 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CCN2C1=O ZINC000581202864 484315541 /nfs/dbraw/zinc/31/55/41/484315541.db2.gz XPKVEOUXESTNCX-KHYOSLBOSA-N 0 3 356.426 -0.395 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@]3(c4ccccc4)CCC(=O)NC3)CCN2C1=O ZINC000581202865 484314745 /nfs/dbraw/zinc/31/47/45/484314745.db2.gz XPKVEOUXESTNCX-QMTMVMCOSA-N 0 3 356.426 -0.395 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CCC(=O)NC3)CCN2C1=O ZINC000581202866 484315445 /nfs/dbraw/zinc/31/54/45/484315445.db2.gz XPKVEOUXESTNCX-SPYBWZPUSA-N 0 3 356.426 -0.395 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000581203326 484315002 /nfs/dbraw/zinc/31/50/02/484315002.db2.gz DNOJZXALNXJNIA-OKILXGFUSA-N 0 3 358.464 -0.150 20 0 FBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000581204463 484315220 /nfs/dbraw/zinc/31/52/20/484315220.db2.gz PETINZFIBTVLRP-UHFFFAOYSA-N 0 3 367.494 -0.791 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000581204466 484316122 /nfs/dbraw/zinc/31/61/22/484316122.db2.gz PJPYMVUEBWSYQE-UHFFFAOYSA-N 0 3 352.414 -0.278 20 0 FBADHN CCOC(=O)c1c(NC(=O)C(=O)NC2CNC2)cc(OC)cc1OC ZINC000581239127 484316633 /nfs/dbraw/zinc/31/66/33/484316633.db2.gz PGPKBYRICNGHEI-UHFFFAOYSA-N 0 3 351.359 -0.093 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)NCCCN1CCOCC1 ZINC000581239385 484317165 /nfs/dbraw/zinc/31/71/65/484317165.db2.gz RNGIHLOZTRACAF-HNNXBMFYSA-N 0 3 356.467 -0.948 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCCN1CCOCC1 ZINC000581239386 484317566 /nfs/dbraw/zinc/31/75/66/484317566.db2.gz RNGIHLOZTRACAF-OAHLLOKOSA-N 0 3 356.467 -0.948 20 0 FBADHN COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)n1 ZINC000581247610 484317726 /nfs/dbraw/zinc/31/77/26/484317726.db2.gz JLOTYYWFTAHJSO-UHFFFAOYSA-N 0 3 352.439 -0.947 20 0 FBADHN Cn1c2ccccc2n(CCC(=O)Nc2nc(N3CCNCC3)n[nH]2)c1=O ZINC000581250126 484316647 /nfs/dbraw/zinc/31/66/47/484316647.db2.gz ZUKMAANWLNLQAM-UHFFFAOYSA-N 0 3 370.417 -0.104 20 0 FBADHN COC(=O)CC1(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CCCC1 ZINC000581255683 484241115 /nfs/dbraw/zinc/24/11/15/484241115.db2.gz MIUHJZGLPZIZPK-UHFFFAOYSA-N 0 3 365.434 0.375 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCc4ccccc43)CCN2C1=O ZINC000581261652 484317574 /nfs/dbraw/zinc/31/75/74/484317574.db2.gz 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C[C@@]1(c2cccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)NC(=O)[N-]C1=O ZINC000581307761 484319897 /nfs/dbraw/zinc/31/98/97/484319897.db2.gz DLMYPZKHTMKZEV-PXAZEXFGSA-N 0 3 359.386 -0.452 20 0 FBADHN C[C@@]1(c2cccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)NC(=O)[N-]C1=O ZINC000581307762 484320550 /nfs/dbraw/zinc/32/05/50/484320550.db2.gz DLMYPZKHTMKZEV-SJCJKPOMSA-N 0 3 359.386 -0.452 20 0 FBADHN C[C@]1(c2cccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)NC(=O)[N-]C1=O ZINC000581307763 484320574 /nfs/dbraw/zinc/32/05/74/484320574.db2.gz DLMYPZKHTMKZEV-SJKOYZFVSA-N 0 3 359.386 -0.452 20 0 FBADHN C[C@]1(c2cccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)NC(=O)[N-]C1=O ZINC000581307764 484319793 /nfs/dbraw/zinc/31/97/93/484319793.db2.gz DLMYPZKHTMKZEV-YVEFUNNKSA-N 0 3 359.386 -0.452 20 0 FBADHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000581313426 484319933 /nfs/dbraw/zinc/31/99/33/484319933.db2.gz FLVCQBCDDNQMHY-OWCLPIDISA-N 0 3 370.519 -0.856 20 0 FBADHN 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FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000581435910 484327856 /nfs/dbraw/zinc/32/78/56/484327856.db2.gz VPRRQYOCPSERCT-IMJJTQAJSA-N 0 3 352.479 -0.188 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000581435911 484328188 /nfs/dbraw/zinc/32/81/88/484328188.db2.gz VPRRQYOCPSERCT-NUEKZKHPSA-N 0 3 352.479 -0.188 20 0 FBADHN CCOC(=O)CN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000581440652 484328283 /nfs/dbraw/zinc/32/82/83/484328283.db2.gz NOICEEJYNJHIFD-CVEARBPZSA-N 0 3 374.441 -0.174 20 0 FBADHN CCOC(=O)CN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000581440653 484327916 /nfs/dbraw/zinc/32/79/16/484327916.db2.gz NOICEEJYNJHIFD-HOTGVXAUSA-N 0 3 374.441 -0.174 20 0 FBADHN CCOC(=O)CN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000581440654 484328328 /nfs/dbraw/zinc/32/83/28/484328328.db2.gz NOICEEJYNJHIFD-HZPDHXFCSA-N 0 3 374.441 -0.174 20 0 FBADHN CCOC(=O)CN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000581440655 484328925 /nfs/dbraw/zinc/32/89/25/484328925.db2.gz NOICEEJYNJHIFD-JKSUJKDBSA-N 0 3 374.441 -0.174 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H](C)O1 ZINC000581440788 484328310 /nfs/dbraw/zinc/32/83/10/484328310.db2.gz RIVFOZMYJFOPNG-APIJFGDWSA-N 0 3 353.467 -0.561 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H](C)O1 ZINC000581440789 484328715 /nfs/dbraw/zinc/32/87/15/484328715.db2.gz RIVFOZMYJFOPNG-KBUPBQIOSA-N 0 3 353.467 -0.561 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H](C)O1 ZINC000581440790 484328749 /nfs/dbraw/zinc/32/87/49/484328749.db2.gz RIVFOZMYJFOPNG-LJISPDSOSA-N 0 3 353.467 -0.561 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H](C)O1 ZINC000581440791 484328222 /nfs/dbraw/zinc/32/82/22/484328222.db2.gz RIVFOZMYJFOPNG-LXTVHRRPSA-N 0 3 353.467 -0.561 20 0 FBADHN CN1C(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2C1=O ZINC000581440937 484328699 /nfs/dbraw/zinc/32/86/99/484328699.db2.gz XAAIIIQQIBXTDZ-BXUZGUMPSA-N 0 3 371.397 -0.905 20 0 FBADHN CN1C(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2C1=O ZINC000581440938 484327989 /nfs/dbraw/zinc/32/79/89/484327989.db2.gz XAAIIIQQIBXTDZ-FZMZJTMJSA-N 0 3 371.397 -0.905 20 0 FBADHN CN1C(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2C1=O ZINC000581440939 484327735 /nfs/dbraw/zinc/32/77/35/484327735.db2.gz XAAIIIQQIBXTDZ-RISCZKNCSA-N 0 3 371.397 -0.905 20 0 FBADHN CN1C(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2C1=O ZINC000581440940 484328242 /nfs/dbraw/zinc/32/82/42/484328242.db2.gz XAAIIIQQIBXTDZ-SMDDNHRTSA-N 0 3 371.397 -0.905 20 0 FBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000581441172 484328671 /nfs/dbraw/zinc/32/86/71/484328671.db2.gz FKWHQQFOENBZJP-UHFFFAOYSA-N 0 3 363.466 -0.302 20 0 FBADHN CN(C)Cc1cccc(CNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000581443467 484327659 /nfs/dbraw/zinc/32/76/59/484327659.db2.gz AROIVBDSBUJMRI-KRWDZBQOSA-N 0 3 360.458 -0.093 20 0 FBADHN CN(C)Cc1cccc(CNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000581443468 484328154 /nfs/dbraw/zinc/32/81/54/484328154.db2.gz AROIVBDSBUJMRI-QGZVFWFLSA-N 0 3 360.458 -0.093 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCNC(C)=O)CC1 ZINC000581443575 484328477 /nfs/dbraw/zinc/32/84/77/484328477.db2.gz FNSYONAYPRCZBF-AWEZNQCLSA-N 0 3 355.483 -0.981 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCNC(C)=O)CC1 ZINC000581443576 484327892 /nfs/dbraw/zinc/32/78/92/484327892.db2.gz FNSYONAYPRCZBF-CQSZACIVSA-N 0 3 355.483 -0.981 20 0 FBADHN CN(C)CCOCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000581445042 484328061 /nfs/dbraw/zinc/32/80/61/484328061.db2.gz HSADANATFWBHFT-UHFFFAOYSA-N 0 3 369.447 -0.464 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCS(=O)(=O)N(C)C ZINC000581462053 484329633 /nfs/dbraw/zinc/32/96/33/484329633.db2.gz XXYNNEPYTDQSNJ-CYBMUJFWSA-N 0 3 362.496 -0.228 20 0 FBADHN Cn1cc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCCN3CCO)C2=O)cn1 ZINC000581473666 484329820 /nfs/dbraw/zinc/32/98/20/484329820.db2.gz ANZFQCSKHYILQQ-DZGCQCFKSA-N 0 3 364.450 -0.329 20 0 FBADHN Cn1cc(N2CC[C@H](NC(=O)NC[C@H]3CCCCN3CCO)C2=O)cn1 ZINC000581473667 484330743 /nfs/dbraw/zinc/33/07/43/484330743.db2.gz ANZFQCSKHYILQQ-HIFRSBDPSA-N 0 3 364.450 -0.329 20 0 FBADHN Cn1cc(N2CC[C@@H](NC(=O)NC[C@H]3CCCCN3CCO)C2=O)cn1 ZINC000581473668 484330288 /nfs/dbraw/zinc/33/02/88/484330288.db2.gz ANZFQCSKHYILQQ-UKRRQHHQSA-N 0 3 364.450 -0.329 20 0 FBADHN Cn1cc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCN3CCO)C2=O)cn1 ZINC000581473669 484330205 /nfs/dbraw/zinc/33/02/05/484330205.db2.gz ANZFQCSKHYILQQ-ZFWWWQNUSA-N 0 3 364.450 -0.329 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@@H](C)O1 ZINC000581474546 484330138 /nfs/dbraw/zinc/33/01/38/484330138.db2.gz GTJNOJHXGPUTGW-CABCVRRESA-N 0 3 358.483 -0.800 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H](C)O1 ZINC000581474547 484329426 /nfs/dbraw/zinc/32/94/26/484329426.db2.gz GTJNOJHXGPUTGW-GJZGRUSLSA-N 0 3 358.483 -0.800 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@@H](C)O1 ZINC000581474548 484330247 /nfs/dbraw/zinc/33/02/47/484330247.db2.gz GTJNOJHXGPUTGW-HUUCEWRRSA-N 0 3 358.483 -0.800 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H](C)O1 ZINC000581474549 484330707 /nfs/dbraw/zinc/33/07/07/484330707.db2.gz GTJNOJHXGPUTGW-LSDHHAIUSA-N 0 3 358.483 -0.800 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)NCC(=O)N2CCNCC2)c1 ZINC000581477655 484329840 /nfs/dbraw/zinc/32/98/40/484329840.db2.gz KCYAXKHVSMGJCR-UHFFFAOYSA-N 0 3 363.462 -0.142 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N(CCN)CCO)c1ccc(Cl)cc1 ZINC000581478852 484330180 /nfs/dbraw/zinc/33/01/80/484330180.db2.gz RWZUTAOVNKEPOT-AWEZNQCLSA-N 0 3 356.854 -0.162 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N(CCN)CCO)c1ccc(Cl)cc1 ZINC000581478853 484329798 /nfs/dbraw/zinc/32/97/98/484329798.db2.gz RWZUTAOVNKEPOT-CQSZACIVSA-N 0 3 356.854 -0.162 20 0 FBADHN O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)NC1CNC1 ZINC000581478864 484329603 /nfs/dbraw/zinc/32/96/03/484329603.db2.gz SQWMCBTWTQZIDC-UHFFFAOYSA-N 0 3 362.430 -0.898 20 0 FBADHN CC(C)[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nnc2ccccn21 ZINC000581478966 484330038 /nfs/dbraw/zinc/33/00/38/484330038.db2.gz GPSHSGAKOQZBCQ-DZGCQCFKSA-N 0 3 373.461 -0.356 20 0 FBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1nnc2ccccn21 ZINC000581478967 484330540 /nfs/dbraw/zinc/33/05/40/484330540.db2.gz GPSHSGAKOQZBCQ-HIFRSBDPSA-N 0 3 373.461 -0.356 20 0 FBADHN CC(C)[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1nnc2ccccn21 ZINC000581478968 484330122 /nfs/dbraw/zinc/33/01/22/484330122.db2.gz GPSHSGAKOQZBCQ-UKRRQHHQSA-N 0 3 373.461 -0.356 20 0 FBADHN CC(C)[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nnc2ccccn21 ZINC000581478969 484330277 /nfs/dbraw/zinc/33/02/77/484330277.db2.gz GPSHSGAKOQZBCQ-ZFWWWQNUSA-N 0 3 373.461 -0.356 20 0 FBADHN CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCN1CCOC ZINC000581482799 484330409 /nfs/dbraw/zinc/33/04/09/484330409.db2.gz FULAQFROFSLRRR-CVEARBPZSA-N 0 3 369.510 -0.953 20 0 FBADHN CCC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCN1CCOC ZINC000581482800 484329881 /nfs/dbraw/zinc/32/98/81/484329881.db2.gz FULAQFROFSLRRR-HOTGVXAUSA-N 0 3 369.510 -0.953 20 0 FBADHN CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCN1CCOC ZINC000581482801 484329922 /nfs/dbraw/zinc/32/99/22/484329922.db2.gz FULAQFROFSLRRR-HZPDHXFCSA-N 0 3 369.510 -0.953 20 0 FBADHN CCC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCN1CCOC ZINC000581482802 484330101 /nfs/dbraw/zinc/33/01/01/484330101.db2.gz FULAQFROFSLRRR-JKSUJKDBSA-N 0 3 369.510 -0.953 20 0 FBADHN NC(C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(F)(F)F ZINC000581486965 484331117 /nfs/dbraw/zinc/33/11/17/484331117.db2.gz MTOHGQANTQODIN-SECBINFHSA-N 0 3 356.326 -0.462 20 0 FBADHN NC(C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(F)(F)F ZINC000581486966 484331696 /nfs/dbraw/zinc/33/16/96/484331696.db2.gz MTOHGQANTQODIN-VIFPVBQESA-N 0 3 356.326 -0.462 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)[C@H](CN)C1 ZINC000581491801 484331471 /nfs/dbraw/zinc/33/14/71/484331471.db2.gz HZVMGDVECHCFCB-SECBINFHSA-N 0 3 353.404 -0.696 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)[C@@H](CN)C1 ZINC000581491802 484331175 /nfs/dbraw/zinc/33/11/75/484331175.db2.gz HZVMGDVECHCFCB-VIFPVBQESA-N 0 3 353.404 -0.696 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000581494583 484332302 /nfs/dbraw/zinc/33/23/02/484332302.db2.gz SGVZAZKAEJXRQF-GFCCVEGCSA-N 0 3 354.432 -0.505 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000581494584 484332021 /nfs/dbraw/zinc/33/20/21/484332021.db2.gz SGVZAZKAEJXRQF-LBPRGKRZSA-N 0 3 354.432 -0.505 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000581498268 484332119 /nfs/dbraw/zinc/33/21/19/484332119.db2.gz TXPKQHJWPQBRDQ-GFCCVEGCSA-N 0 3 370.475 -0.301 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000581498269 484331669 /nfs/dbraw/zinc/33/16/69/484331669.db2.gz TXPKQHJWPQBRDQ-LBPRGKRZSA-N 0 3 370.475 -0.301 20 0 FBADHN COCC1(NC(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)CCCC1 ZINC000581500031 484333898 /nfs/dbraw/zinc/33/38/98/484333898.db2.gz BIVXZGYGLJEELN-UHFFFAOYSA-N 0 3 362.434 -0.100 20 0 FBADHN CCNC(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000581500157 484332873 /nfs/dbraw/zinc/33/28/73/484332873.db2.gz ICKPMRIXDNAJRA-CABCVRRESA-N 0 3 359.430 -0.110 20 0 FBADHN CCNC(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000581500158 484334114 /nfs/dbraw/zinc/33/41/14/484334114.db2.gz ICKPMRIXDNAJRA-GJZGRUSLSA-N 0 3 359.430 -0.110 20 0 FBADHN CCNC(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000581500159 484333204 /nfs/dbraw/zinc/33/32/04/484333204.db2.gz ICKPMRIXDNAJRA-HUUCEWRRSA-N 0 3 359.430 -0.110 20 0 FBADHN CCNC(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000581500160 484333612 /nfs/dbraw/zinc/33/36/12/484333612.db2.gz ICKPMRIXDNAJRA-LSDHHAIUSA-N 0 3 359.430 -0.110 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(OC)c1 ZINC000581500193 484333839 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FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@@H]1N1CCOCC1 ZINC000581870482 484350871 /nfs/dbraw/zinc/35/08/71/484350871.db2.gz RLUDIZOGIZJEAD-PMPSAXMXSA-N 0 3 350.463 -0.528 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]2(C)CO)CC1 ZINC000581870542 484351782 /nfs/dbraw/zinc/35/17/82/484351782.db2.gz ZBGGQGCKTWRJTM-KBXCAEBGSA-N 0 3 366.462 -0.875 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]2(C)CO)CC1 ZINC000581870543 484351361 /nfs/dbraw/zinc/35/13/61/484351361.db2.gz ZBGGQGCKTWRJTM-KDOFPFPSSA-N 0 3 366.462 -0.875 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]2(C)CO)CC1 ZINC000581870544 484351451 /nfs/dbraw/zinc/35/14/51/484351451.db2.gz ZBGGQGCKTWRJTM-KSSFIOAISA-N 0 3 366.462 -0.875 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]2(C)CO)CC1 ZINC000581870545 484353320 /nfs/dbraw/zinc/35/33/20/484353320.db2.gz ZBGGQGCKTWRJTM-RDTXWAMCSA-N 0 3 366.462 -0.875 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)C1=O ZINC000581874098 484353217 /nfs/dbraw/zinc/35/32/17/484353217.db2.gz KIDXKFBWDMCKMC-KBPBESRZSA-N 0 3 363.466 -0.317 20 0 FBADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCN(C)C[C@H]2CN)C1=O ZINC000581874099 484352847 /nfs/dbraw/zinc/35/28/47/484352847.db2.gz KIDXKFBWDMCKMC-KGLIPLIRSA-N 0 3 363.466 -0.317 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC(=O)N2CCN(C)C[C@@H]2CN)C1=O ZINC000581874100 484352602 /nfs/dbraw/zinc/35/26/02/484352602.db2.gz KIDXKFBWDMCKMC-UONOGXRCSA-N 0 3 363.466 -0.317 20 0 FBADHN CCn1nccc1N1CCC[C@@H](NC(=O)N2CCN(C)C[C@H]2CN)C1=O ZINC000581874101 484353256 /nfs/dbraw/zinc/35/32/56/484353256.db2.gz KIDXKFBWDMCKMC-ZIAGYGMSSA-N 0 3 363.466 -0.317 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C(=O)[O-] ZINC000581884753 484352893 /nfs/dbraw/zinc/35/28/93/484352893.db2.gz WCSNUFBGRVEDKD-KBPBESRZSA-N 0 3 356.467 -0.493 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C(=O)[O-] ZINC000581884754 484352574 /nfs/dbraw/zinc/35/25/74/484352574.db2.gz WCSNUFBGRVEDKD-KGLIPLIRSA-N 0 3 356.467 -0.493 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C(=O)[O-] ZINC000581884755 484353068 /nfs/dbraw/zinc/35/30/68/484353068.db2.gz WCSNUFBGRVEDKD-UONOGXRCSA-N 0 3 356.467 -0.493 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C(=O)[O-] ZINC000581884756 484352509 /nfs/dbraw/zinc/35/25/09/484352509.db2.gz WCSNUFBGRVEDKD-ZIAGYGMSSA-N 0 3 356.467 -0.493 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CCN2C1=O ZINC000581895727 484353547 /nfs/dbraw/zinc/35/35/47/484353547.db2.gz NURFXJWPVSYDOT-KFWWJZLASA-N 0 3 372.429 -0.470 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CCN2C1=O ZINC000581895728 484352427 /nfs/dbraw/zinc/35/24/27/484352427.db2.gz NURFXJWPVSYDOT-RBSFLKMASA-N 0 3 372.429 -0.470 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CCN2C1=O ZINC000581895729 484353103 /nfs/dbraw/zinc/35/31/03/484353103.db2.gz NURFXJWPVSYDOT-RRFJBIMHSA-N 0 3 372.429 -0.470 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CCN2C1=O ZINC000581895730 484352668 /nfs/dbraw/zinc/35/26/68/484352668.db2.gz NURFXJWPVSYDOT-ZNMIVQPWSA-N 0 3 372.429 -0.470 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCCCc2cnn(C)c2)CC1 ZINC000581898543 484353159 /nfs/dbraw/zinc/35/31/59/484353159.db2.gz YZJXEFNTVKVFOZ-UHFFFAOYSA-N 0 3 364.494 -0.389 20 0 FBADHN C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)NCCN(C)C ZINC000581899890 484353977 /nfs/dbraw/zinc/35/39/77/484353977.db2.gz PBSCXMQDJRULDM-CYBMUJFWSA-N 0 3 359.430 -0.031 20 0 FBADHN C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)NCCN(C)C ZINC000581899891 484355014 /nfs/dbraw/zinc/35/50/14/484355014.db2.gz PBSCXMQDJRULDM-ZDUSSCGKSA-N 0 3 359.430 -0.031 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000581909806 484354470 /nfs/dbraw/zinc/35/44/70/484354470.db2.gz VASRPTJRICGNJJ-GDBMZVCRSA-N 0 3 374.489 -0.337 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000581909807 484354966 /nfs/dbraw/zinc/35/49/66/484354966.db2.gz VASRPTJRICGNJJ-GOEBONIOSA-N 0 3 374.489 -0.337 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000581909808 484354622 /nfs/dbraw/zinc/35/46/22/484354622.db2.gz VASRPTJRICGNJJ-HOCLYGCPSA-N 0 3 374.489 -0.337 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000581909809 484354523 /nfs/dbraw/zinc/35/45/23/484354523.db2.gz VASRPTJRICGNJJ-ZBFHGGJFSA-N 0 3 374.489 -0.337 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)C[C@H]1c1ccccc1F ZINC000581937939 484362479 /nfs/dbraw/zinc/36/24/79/484362479.db2.gz GXWQQJPMCWTAMZ-CQJJVWNLSA-N 0 3 363.389 -0.295 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000581941055 484363358 /nfs/dbraw/zinc/36/33/58/484363358.db2.gz OLAZOYNWMASACX-CYBMUJFWSA-N 0 3 370.431 -0.805 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000581941056 484363402 /nfs/dbraw/zinc/36/34/02/484363402.db2.gz OLAZOYNWMASACX-ZDUSSCGKSA-N 0 3 370.431 -0.805 20 0 FBADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000581946334 484363626 /nfs/dbraw/zinc/36/36/26/484363626.db2.gz IXCCEJODKWNRMF-UHFFFAOYSA-N 0 3 370.450 -0.436 20 0 FBADHN COCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000581947773 484363105 /nfs/dbraw/zinc/36/31/05/484363105.db2.gz LXSXTDDGNOSWQP-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN COCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000581947774 484363886 /nfs/dbraw/zinc/36/38/86/484363886.db2.gz LXSXTDDGNOSWQP-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CCNc1nc(N[C@H]2CCN(S(C)(=O)=O)C2)nc(NC(C)(C)C)n1 ZINC000581948053 484363197 /nfs/dbraw/zinc/36/31/97/484363197.db2.gz WPOKTTXUBJROKY-JTQLQIEISA-N 0 3 357.484 -0.197 20 0 FBADHN CCNc1nc(N[C@@H]2CCN(S(C)(=O)=O)C2)nc(NC(C)(C)C)n1 ZINC000581948054 484363760 /nfs/dbraw/zinc/36/37/60/484363760.db2.gz WPOKTTXUBJROKY-SNVBAGLBSA-N 0 3 357.484 -0.197 20 0 FBADHN COc1cncc(NC(=O)C(=O)NCc2ccncc2OCCN(C)C)n1 ZINC000581948488 484457729 /nfs/dbraw/zinc/45/77/29/484457729.db2.gz PAWWVRQIYJWJJM-UHFFFAOYSA-N 0 3 374.401 0.076 20 0 FBADHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581955203 484371976 /nfs/dbraw/zinc/37/19/76/484371976.db2.gz XDWSEJSPYXPMQP-GUTXKFCHSA-N 0 3 359.430 -0.394 20 0 FBADHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581955204 484371880 /nfs/dbraw/zinc/37/18/80/484371880.db2.gz XDWSEJSPYXPMQP-IPYPFGDCSA-N 0 3 359.430 -0.394 20 0 FBADHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581955205 484371821 /nfs/dbraw/zinc/37/18/21/484371821.db2.gz XDWSEJSPYXPMQP-NFAWXSAZSA-N 0 3 359.430 -0.394 20 0 FBADHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581955206 484371970 /nfs/dbraw/zinc/37/19/70/484371970.db2.gz XDWSEJSPYXPMQP-YDHLFZDLSA-N 0 3 359.430 -0.394 20 0 FBADHN CCOCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000581955556 484372281 /nfs/dbraw/zinc/37/22/81/484372281.db2.gz TYGLDSQPRSWJDB-CVEARBPZSA-N 0 3 374.441 -0.390 20 0 FBADHN CCOCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000581955557 484371859 /nfs/dbraw/zinc/37/18/59/484371859.db2.gz TYGLDSQPRSWJDB-HOTGVXAUSA-N 0 3 374.441 -0.390 20 0 FBADHN CCOCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000581955558 484371655 /nfs/dbraw/zinc/37/16/55/484371655.db2.gz TYGLDSQPRSWJDB-HZPDHXFCSA-N 0 3 374.441 -0.390 20 0 FBADHN CCOCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000581955559 484371963 /nfs/dbraw/zinc/37/19/63/484371963.db2.gz TYGLDSQPRSWJDB-JKSUJKDBSA-N 0 3 374.441 -0.390 20 0 FBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCN(C)C(=O)C2)o1 ZINC000581989021 484373662 /nfs/dbraw/zinc/37/36/62/484373662.db2.gz BUKOASAYSGDMED-UHFFFAOYSA-N 0 3 350.419 -0.221 20 0 FBADHN CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000581993221 484374425 /nfs/dbraw/zinc/37/44/25/484374425.db2.gz CFXVUOBHWGJSBP-HNNXBMFYSA-N 0 3 361.446 -0.247 20 0 FBADHN CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000581993222 484375110 /nfs/dbraw/zinc/37/51/10/484375110.db2.gz CFXVUOBHWGJSBP-OAHLLOKOSA-N 0 3 361.446 -0.247 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCCS(=O)(=O)NCC2CCC2)C[C@@H](C)O1 ZINC000581998559 484377844 /nfs/dbraw/zinc/37/78/44/484377844.db2.gz ODHHZVCKURWZGO-FMKPAKJESA-N 0 3 363.524 -0.234 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCCS(=O)(=O)NCC2CCC2)C[C@@H](C)O1 ZINC000581998560 484378623 /nfs/dbraw/zinc/37/86/23/484378623.db2.gz ODHHZVCKURWZGO-IIAWOOMASA-N 0 3 363.524 -0.234 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCCS(=O)(=O)NCC2CCC2)C[C@H](C)O1 ZINC000581998561 484378136 /nfs/dbraw/zinc/37/81/36/484378136.db2.gz ODHHZVCKURWZGO-IJEWVQPXSA-N 0 3 363.524 -0.234 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCCS(=O)(=O)NCC2CCC2)C[C@H](C)O1 ZINC000581998562 484378309 /nfs/dbraw/zinc/37/83/09/484378309.db2.gz ODHHZVCKURWZGO-LZWOXQAQSA-N 0 3 363.524 -0.234 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000582001519 484377763 /nfs/dbraw/zinc/37/77/63/484377763.db2.gz WNFUINGNXBZBFU-CYBMUJFWSA-N 0 3 353.448 -0.891 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000582001520 484378244 /nfs/dbraw/zinc/37/82/44/484378244.db2.gz WNFUINGNXBZBFU-ZDUSSCGKSA-N 0 3 353.448 -0.891 20 0 FBADHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582007659 484529354 /nfs/dbraw/zinc/52/93/54/484529354.db2.gz DLAPFFFULICWCF-CHWSQXEVSA-N 0 3 361.450 -0.011 20 0 FBADHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582007660 484530248 /nfs/dbraw/zinc/53/02/48/484530248.db2.gz DLAPFFFULICWCF-OLZOCXBDSA-N 0 3 361.450 -0.011 20 0 FBADHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582007661 484538455 /nfs/dbraw/zinc/53/84/55/484538455.db2.gz DLAPFFFULICWCF-QWHCGFSZSA-N 0 3 361.450 -0.011 20 0 FBADHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582007662 484538012 /nfs/dbraw/zinc/53/80/12/484538012.db2.gz DLAPFFFULICWCF-STQMWFEESA-N 0 3 361.450 -0.011 20 0 FBADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000582011095 484383783 /nfs/dbraw/zinc/38/37/83/484383783.db2.gz PUUXSPWFIGQCQA-GJZGRUSLSA-N 0 3 363.397 -0.345 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000582013918 484384608 /nfs/dbraw/zinc/38/46/08/484384608.db2.gz ATJUWFPBUBLMEE-CHWSQXEVSA-N 0 3 371.397 -0.720 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000582013919 484384664 /nfs/dbraw/zinc/38/46/64/484384664.db2.gz ATJUWFPBUBLMEE-OLZOCXBDSA-N 0 3 371.397 -0.720 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000582013920 484383802 /nfs/dbraw/zinc/38/38/02/484383802.db2.gz ATJUWFPBUBLMEE-QWHCGFSZSA-N 0 3 371.397 -0.720 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000582013921 484383755 /nfs/dbraw/zinc/38/37/55/484383755.db2.gz ATJUWFPBUBLMEE-STQMWFEESA-N 0 3 371.397 -0.720 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000582017514 484384417 /nfs/dbraw/zinc/38/44/17/484384417.db2.gz QYQFSWOIEBGABT-ABAIWWIYSA-N 0 3 357.480 -0.930 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000582017515 484383942 /nfs/dbraw/zinc/38/39/42/484383942.db2.gz QYQFSWOIEBGABT-IAQYHMDHSA-N 0 3 357.480 -0.930 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000582017516 484384077 /nfs/dbraw/zinc/38/40/77/484384077.db2.gz QYQFSWOIEBGABT-NHYWBVRUSA-N 0 3 357.480 -0.930 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000582017517 484384552 /nfs/dbraw/zinc/38/45/52/484384552.db2.gz QYQFSWOIEBGABT-XHDPSFHLSA-N 0 3 357.480 -0.930 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1cccc2c1OCO2 ZINC000582018340 484383526 /nfs/dbraw/zinc/38/35/26/484383526.db2.gz IKJMHKCHXIVCFD-UHFFFAOYSA-N 0 3 364.446 -0.017 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000582052627 483487145 /nfs/dbraw/zinc/48/71/45/483487145.db2.gz SPLMKVBTRBEBGN-GFCCVEGCSA-N 0 3 363.409 -0.927 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000582052628 483487514 /nfs/dbraw/zinc/48/75/14/483487514.db2.gz SPLMKVBTRBEBGN-LBPRGKRZSA-N 0 3 363.409 -0.927 20 0 FBADHN COC(=O)c1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000582052759 483487681 /nfs/dbraw/zinc/48/76/81/483487681.db2.gz PILZDWXDEXGAEM-HNNXBMFYSA-N 0 3 362.430 -0.767 20 0 FBADHN COC(=O)c1ccc(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000582052760 483487283 /nfs/dbraw/zinc/48/72/83/483487283.db2.gz PILZDWXDEXGAEM-OAHLLOKOSA-N 0 3 362.430 -0.767 20 0 FBADHN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582073360 483490426 /nfs/dbraw/zinc/49/04/26/483490426.db2.gz BNKWKJNJTHEAFK-NXEZZACHSA-N 0 3 372.472 -0.618 20 0 FBADHN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582073361 483490659 /nfs/dbraw/zinc/49/06/59/483490659.db2.gz BNKWKJNJTHEAFK-UWVGGRQHSA-N 0 3 372.472 -0.618 20 0 FBADHN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582073362 483489969 /nfs/dbraw/zinc/48/99/69/483489969.db2.gz BNKWKJNJTHEAFK-VHSXEESVSA-N 0 3 372.472 -0.618 20 0 FBADHN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582073363 483490597 /nfs/dbraw/zinc/49/05/97/483490597.db2.gz BNKWKJNJTHEAFK-ZJUUUORDSA-N 0 3 372.472 -0.618 20 0 FBADHN CS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000582073378 483490037 /nfs/dbraw/zinc/49/00/37/483490037.db2.gz BTJJSLMMFCEUIZ-AAEUAGOBSA-N 0 3 352.416 -0.134 20 0 FBADHN CS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000582073379 483490721 /nfs/dbraw/zinc/49/07/21/483490721.db2.gz BTJJSLMMFCEUIZ-DGCLKSJQSA-N 0 3 352.416 -0.134 20 0 FBADHN CS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000582073380 483490734 /nfs/dbraw/zinc/49/07/34/483490734.db2.gz BTJJSLMMFCEUIZ-WCQYABFASA-N 0 3 352.416 -0.134 20 0 FBADHN CS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000582073381 483490852 /nfs/dbraw/zinc/49/08/52/483490852.db2.gz BTJJSLMMFCEUIZ-YPMHNXCESA-N 0 3 352.416 -0.134 20 0 FBADHN Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1N(C)C ZINC000582073496 483490077 /nfs/dbraw/zinc/49/00/77/483490077.db2.gz GHHOFTAIWHNMNH-CHWSQXEVSA-N 0 3 359.430 -0.230 20 0 FBADHN Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1N(C)C ZINC000582073497 483490826 /nfs/dbraw/zinc/49/08/26/483490826.db2.gz GHHOFTAIWHNMNH-OLZOCXBDSA-N 0 3 359.430 -0.230 20 0 FBADHN Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1N(C)C ZINC000582073498 483490611 /nfs/dbraw/zinc/49/06/11/483490611.db2.gz GHHOFTAIWHNMNH-QWHCGFSZSA-N 0 3 359.430 -0.230 20 0 FBADHN Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1N(C)C ZINC000582073499 483489883 /nfs/dbraw/zinc/48/98/83/483489883.db2.gz GHHOFTAIWHNMNH-STQMWFEESA-N 0 3 359.430 -0.230 20 0 FBADHN CCOCc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582074292 483491478 /nfs/dbraw/zinc/49/14/78/483491478.db2.gz ODGAZIGIYDCRDH-CVEARBPZSA-N 0 3 374.441 -0.390 20 0 FBADHN CCOCc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582074293 483492045 /nfs/dbraw/zinc/49/20/45/483492045.db2.gz ODGAZIGIYDCRDH-HOTGVXAUSA-N 0 3 374.441 -0.390 20 0 FBADHN CCOCc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582074294 483492846 /nfs/dbraw/zinc/49/28/46/483492846.db2.gz ODGAZIGIYDCRDH-HZPDHXFCSA-N 0 3 374.441 -0.390 20 0 FBADHN CCOCc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582074295 483492517 /nfs/dbraw/zinc/49/25/17/483492517.db2.gz ODGAZIGIYDCRDH-JKSUJKDBSA-N 0 3 374.441 -0.390 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000582107372 483507330 /nfs/dbraw/zinc/50/73/30/483507330.db2.gz OVNXJMQOGUYHIP-UONOGXRCSA-N 0 3 362.496 -0.444 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000582107373 483507000 /nfs/dbraw/zinc/50/70/00/483507000.db2.gz OVNXJMQOGUYHIP-ZIAGYGMSSA-N 0 3 362.496 -0.444 20 0 FBADHN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC1CNC1 ZINC000582112309 483520552 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363.466 -0.690 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000582124802 483873484 /nfs/dbraw/zinc/87/34/84/483873484.db2.gz UWUOXQSXVOSKAM-HIFRSBDPSA-N 0 3 363.466 -0.690 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000582124803 483873343 /nfs/dbraw/zinc/87/33/43/483873343.db2.gz UWUOXQSXVOSKAM-UKRRQHHQSA-N 0 3 363.466 -0.690 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000582124804 483873450 /nfs/dbraw/zinc/87/34/50/483873450.db2.gz UWUOXQSXVOSKAM-ZFWWWQNUSA-N 0 3 363.466 -0.690 20 0 FBADHN CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(C)C[C@@H]3CN)cc2C1 ZINC000582133291 483462335 /nfs/dbraw/zinc/46/23/35/483462335.db2.gz QXGWZKAWHSVHPE-HNNXBMFYSA-N 0 3 352.460 -0.188 20 0 FBADHN CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(C)C[C@H]3CN)cc2C1 ZINC000582133292 483462100 /nfs/dbraw/zinc/46/21/00/483462100.db2.gz QXGWZKAWHSVHPE-OAHLLOKOSA-N 0 3 352.460 -0.188 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000582135826 483477359 /nfs/dbraw/zinc/47/73/59/483477359.db2.gz OBFDNLJTPXIVSQ-UHFFFAOYSA-N 0 3 364.450 -0.408 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000582136297 483475900 /nfs/dbraw/zinc/47/59/00/483475900.db2.gz IFWDBHBQKHDXLI-HNNXBMFYSA-N 0 3 362.478 -0.098 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000582136298 483476206 /nfs/dbraw/zinc/47/62/06/483476206.db2.gz IFWDBHBQKHDXLI-OAHLLOKOSA-N 0 3 362.478 -0.098 20 0 FBADHN COc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1-n1cnnn1 ZINC000582144072 483868971 /nfs/dbraw/zinc/86/89/71/483868971.db2.gz VUCQPLXIIJWQOW-KRWDZBQOSA-N 0 3 358.402 -0.143 20 0 FBADHN COc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1-n1cnnn1 ZINC000582144073 483868815 /nfs/dbraw/zinc/86/88/15/483868815.db2.gz VUCQPLXIIJWQOW-QGZVFWFLSA-N 0 3 358.402 -0.143 20 0 FBADHN CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000582146161 484287816 /nfs/dbraw/zinc/28/78/16/484287816.db2.gz KSTSDTCCXLMIMB-LBPRGKRZSA-N 0 3 366.466 0.113 20 0 FBADHN COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1C ZINC000582157014 484045635 /nfs/dbraw/zinc/04/56/35/484045635.db2.gz LSWWRJUELZAYQC-LLVKDONJSA-N 0 3 351.407 -0.096 20 0 FBADHN COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1C ZINC000582157015 484045669 /nfs/dbraw/zinc/04/56/69/484045669.db2.gz LSWWRJUELZAYQC-NSHDSACASA-N 0 3 351.407 -0.096 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)[C@@H](CN)C1 ZINC000582175656 484120618 /nfs/dbraw/zinc/12/06/18/484120618.db2.gz SYXUWBPBDNYLEC-BBRMVZONSA-N 0 3 364.421 -0.173 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)[C@H](CN)C1 ZINC000582175657 484120497 /nfs/dbraw/zinc/12/04/97/484120497.db2.gz SYXUWBPBDNYLEC-CJNGLKHVSA-N 0 3 364.421 -0.173 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)[C@H](CN)C1 ZINC000582175658 484120586 /nfs/dbraw/zinc/12/05/86/484120586.db2.gz SYXUWBPBDNYLEC-CZUORRHYSA-N 0 3 364.421 -0.173 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)[C@@H](CN)C1 ZINC000582175659 484120935 /nfs/dbraw/zinc/12/09/35/484120935.db2.gz SYXUWBPBDNYLEC-XJKSGUPXSA-N 0 3 364.421 -0.173 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@H]1c1ccccc1 ZINC000582175703 484120603 /nfs/dbraw/zinc/12/06/03/484120603.db2.gz ZBHWMQDWVOCZCR-QKPAOTATSA-N 0 3 356.426 -0.323 20 0 FBADHN O=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(N2CCNCC2)n[nH]1 ZINC000582180046 484121778 /nfs/dbraw/zinc/12/17/78/484121778.db2.gz SEWOCMZYLJRNHV-UHFFFAOYSA-N 0 3 365.344 -0.139 20 0 FBADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@@H]1CNCCO1 ZINC000582180513 484123480 /nfs/dbraw/zinc/12/34/80/484123480.db2.gz ANPRKLVUWLIWRJ-HNNXBMFYSA-N 0 3 361.446 -0.385 20 0 FBADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@H]1CNCCO1 ZINC000582180514 484122895 /nfs/dbraw/zinc/12/28/95/484122895.db2.gz ANPRKLVUWLIWRJ-OAHLLOKOSA-N 0 3 361.446 -0.385 20 0 FBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CNC2)s1 ZINC000582180739 484123598 /nfs/dbraw/zinc/12/35/98/484123598.db2.gz NXRRIZLHMSUKFX-UHFFFAOYSA-N 0 3 353.491 -0.520 20 0 FBADHN 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/nfs/dbraw/zinc/12/70/13/484127013.db2.gz BJGNPRUFHGKLGS-UONOGXRCSA-N 0 3 354.451 -0.674 20 0 FBADHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000582187966 484127291 /nfs/dbraw/zinc/12/72/91/484127291.db2.gz BJGNPRUFHGKLGS-ZIAGYGMSSA-N 0 3 354.451 -0.674 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000582188999 484128331 /nfs/dbraw/zinc/12/83/31/484128331.db2.gz COFHVUMVLRNFFP-UHFFFAOYSA-N 0 3 355.464 -0.595 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c2cnn(C)c2)CC1 ZINC000582196395 484132462 /nfs/dbraw/zinc/13/24/62/484132462.db2.gz XBWVXCVEJOASGA-CABCVRRESA-N 0 3 364.494 -0.013 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c2cnn(C)c2)CC1 ZINC000582196396 484132119 /nfs/dbraw/zinc/13/21/19/484132119.db2.gz XBWVXCVEJOASGA-GJZGRUSLSA-N 0 3 364.494 -0.013 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)c2cnn(C)c2)CC1 ZINC000582196397 484132677 /nfs/dbraw/zinc/13/26/77/484132677.db2.gz XBWVXCVEJOASGA-HUUCEWRRSA-N 0 3 364.494 -0.013 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c2cnn(C)c2)CC1 ZINC000582196398 484132149 /nfs/dbraw/zinc/13/21/49/484132149.db2.gz XBWVXCVEJOASGA-LSDHHAIUSA-N 0 3 364.494 -0.013 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000582205793 484142087 /nfs/dbraw/zinc/14/20/87/484142087.db2.gz BDFYDUBRHIUGGK-UHFFFAOYSA-N 0 3 358.464 -0.034 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN2C[C@@H]3CCN(C)[C@@H]3C2)c(=O)n(C)c1=O ZINC000582222843 484274403 /nfs/dbraw/zinc/27/44/03/484274403.db2.gz HMUKHLPSUBMMAL-QWHCGFSZSA-N 0 3 363.462 -0.396 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CNCCO1 ZINC000582230825 484511110 /nfs/dbraw/zinc/51/11/10/484511110.db2.gz HAPVSPGVTOCQMA-CVEARBPZSA-N 0 3 362.478 -0.120 20 0 FBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CNCCO1 ZINC000582230826 484510347 /nfs/dbraw/zinc/51/03/47/484510347.db2.gz HAPVSPGVTOCQMA-HOTGVXAUSA-N 0 3 362.478 -0.120 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CNCCO1 ZINC000582230827 484510851 /nfs/dbraw/zinc/51/08/51/484510851.db2.gz HAPVSPGVTOCQMA-HZPDHXFCSA-N 0 3 362.478 -0.120 20 0 FBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CNCCO1 ZINC000582230828 484510622 /nfs/dbraw/zinc/51/06/22/484510622.db2.gz HAPVSPGVTOCQMA-JKSUJKDBSA-N 0 3 362.478 -0.120 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2ccc(C(N)=O)nc2)CCSC1 ZINC000582232178 484510590 /nfs/dbraw/zinc/51/05/90/484510590.db2.gz MWKREFCKYLTNTB-INIZCTEOSA-N 0 3 365.459 -0.650 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2ccc(C(N)=O)nc2)CCSC1 ZINC000582232179 484511260 /nfs/dbraw/zinc/51/12/60/484511260.db2.gz MWKREFCKYLTNTB-MRXNPFEDSA-N 0 3 365.459 -0.650 20 0 FBADHN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000582241221 484540271 /nfs/dbraw/zinc/54/02/71/484540271.db2.gz HWLZFVHZRPBUNT-JTQLQIEISA-N 0 3 355.388 -0.391 20 0 FBADHN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000582241222 484540925 /nfs/dbraw/zinc/54/09/25/484540925.db2.gz HWLZFVHZRPBUNT-SNVBAGLBSA-N 0 3 355.388 -0.391 20 0 FBADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000582242283 484541080 /nfs/dbraw/zinc/54/10/80/484541080.db2.gz VYUIFHRBUBJSQP-GXSJLCMTSA-N 0 3 365.814 -0.404 20 0 FBADHN CC(C)C[C@H](NC(=O)c1nc(N)nc(N(C)C)n1)C(=O)NCCN(C)C ZINC000582248570 484510703 /nfs/dbraw/zinc/51/07/03/484510703.db2.gz PEEFKLPZVVLUFA-NSHDSACASA-N 0 3 366.470 -0.658 20 0 FBADHN Cn1cc(Br)c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000582252522 484545471 /nfs/dbraw/zinc/54/54/71/484545471.db2.gz JZGLBBZNVLTHSG-PSASIEDQSA-N 0 3 371.239 -0.364 20 0 FBADHN Cn1cc(Br)c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000582252523 484545572 /nfs/dbraw/zinc/54/55/72/484545572.db2.gz JZGLBBZNVLTHSG-SCZZXKLOSA-N 0 3 371.239 -0.364 20 0 FBADHN Cn1cc(Br)c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000582252524 484545398 /nfs/dbraw/zinc/54/53/98/484545398.db2.gz JZGLBBZNVLTHSG-WCBMZHEXSA-N 0 3 371.239 -0.364 20 0 FBADHN Cn1cc(Br)c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000582252525 484545904 /nfs/dbraw/zinc/54/59/04/484545904.db2.gz JZGLBBZNVLTHSG-WPRPVWTQSA-N 0 3 371.239 -0.364 20 0 FBADHN CCc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)sc1C ZINC000582252703 484544903 /nfs/dbraw/zinc/54/49/03/484544903.db2.gz PCGNXBHKMYJRGQ-NXEZZACHSA-N 0 3 351.432 -0.277 20 0 FBADHN CCc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)sc1C ZINC000582252704 484545278 /nfs/dbraw/zinc/54/52/78/484545278.db2.gz PCGNXBHKMYJRGQ-UWVGGRQHSA-N 0 3 351.432 -0.277 20 0 FBADHN CCc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)sc1C ZINC000582252705 484545730 /nfs/dbraw/zinc/54/57/30/484545730.db2.gz PCGNXBHKMYJRGQ-VHSXEESVSA-N 0 3 351.432 -0.277 20 0 FBADHN CCc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)sc1C ZINC000582252706 484545936 /nfs/dbraw/zinc/54/59/36/484545936.db2.gz PCGNXBHKMYJRGQ-ZJUUUORDSA-N 0 3 351.432 -0.277 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)C(=O)N2CCCC[C@H]2C)n1 ZINC000582255098 484547708 /nfs/dbraw/zinc/54/77/08/484547708.db2.gz HVQACZJIWNYFST-CHWSQXEVSA-N 0 3 365.482 -0.437 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C(=O)N2CCCC[C@H]2C)n1 ZINC000582255099 484547759 /nfs/dbraw/zinc/54/77/59/484547759.db2.gz HVQACZJIWNYFST-OLZOCXBDSA-N 0 3 365.482 -0.437 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)C(=O)N2CCCC[C@@H]2C)n1 ZINC000582255100 484547207 /nfs/dbraw/zinc/54/72/07/484547207.db2.gz HVQACZJIWNYFST-QWHCGFSZSA-N 0 3 365.482 -0.437 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C(=O)N2CCCC[C@@H]2C)n1 ZINC000582255101 484547117 /nfs/dbraw/zinc/54/71/17/484547117.db2.gz HVQACZJIWNYFST-STQMWFEESA-N 0 3 365.482 -0.437 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 ZINC000582255272 484547235 /nfs/dbraw/zinc/54/72/35/484547235.db2.gz OMKLFMLZJYDUHS-INIZCTEOSA-N 0 3 370.494 -0.560 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCCCO[C@@H]2CCOC2)CC1 ZINC000582255273 484547803 /nfs/dbraw/zinc/54/78/03/484547803.db2.gz OMKLFMLZJYDUHS-MRXNPFEDSA-N 0 3 370.494 -0.560 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)C1 ZINC000582259035 484546831 /nfs/dbraw/zinc/54/68/31/484546831.db2.gz VRRAMPGSRLTBDT-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCCC23CCN(C)CC3)C1 ZINC000582259036 484547610 /nfs/dbraw/zinc/54/76/10/484547610.db2.gz VRRAMPGSRLTBDT-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC000582262752 483913957 /nfs/dbraw/zinc/91/39/57/483913957.db2.gz OIHCKOLQCJCTPP-JYJNAYRXSA-N 0 3 371.478 -0.134 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C[C@@H](C)O1 ZINC000582262753 483914749 /nfs/dbraw/zinc/91/47/49/483914749.db2.gz OIHCKOLQCJCTPP-OAGGEKHMSA-N 0 3 371.478 -0.134 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000582262754 483914210 /nfs/dbraw/zinc/91/42/10/483914210.db2.gz OIHCKOLQCJCTPP-PMPSAXMXSA-N 0 3 371.478 -0.134 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@@H](C)O1 ZINC000582262755 483914096 /nfs/dbraw/zinc/91/40/96/483914096.db2.gz OIHCKOLQCJCTPP-XHSDSOJGSA-N 0 3 371.478 -0.134 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C[C@@H]1O ZINC000582279646 484001384 /nfs/dbraw/zinc/00/13/84/484001384.db2.gz VGTINSKIAJNLKI-KBPBESRZSA-N 0 3 365.825 -0.139 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000582282558 484015295 /nfs/dbraw/zinc/01/52/95/484015295.db2.gz LDXOLOMXJHBHDZ-IAOVAPTHSA-N 0 3 352.479 -0.378 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000582282559 484014716 /nfs/dbraw/zinc/01/47/16/484014716.db2.gz LDXOLOMXJHBHDZ-KBRIMQKVSA-N 0 3 352.479 -0.378 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000582282560 484015630 /nfs/dbraw/zinc/01/56/30/484015630.db2.gz LDXOLOMXJHBHDZ-XKQJLSEDSA-N 0 3 352.479 -0.378 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000582282561 484015661 /nfs/dbraw/zinc/01/56/61/484015661.db2.gz LDXOLOMXJHBHDZ-XYPHTWIQSA-N 0 3 352.479 -0.378 20 0 FBADHN COC(=O)c1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)oc1C ZINC000582291394 484041675 /nfs/dbraw/zinc/04/16/75/484041675.db2.gz RKAVJULNMRGDGY-LLVKDONJSA-N 0 3 352.391 -0.908 20 0 FBADHN COC(=O)c1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)oc1C ZINC000582291395 484040940 /nfs/dbraw/zinc/04/09/40/484040940.db2.gz RKAVJULNMRGDGY-NSHDSACASA-N 0 3 352.391 -0.908 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCn2cccn2)CC1 ZINC000582291905 484040102 /nfs/dbraw/zinc/04/01/02/484040102.db2.gz DGGAWPLJRJJAEP-UHFFFAOYSA-N 0 3 364.450 -0.988 20 0 FBADHN CN1CCN(C[C@H](O)CN[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296831 484054423 /nfs/dbraw/zinc/05/44/23/484054423.db2.gz XZFIIXJGKKBEAM-CHWSQXEVSA-N 0 3 352.401 -0.262 20 0 FBADHN CN1CCN(C[C@H](O)CN[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296832 484053582 /nfs/dbraw/zinc/05/35/82/484053582.db2.gz XZFIIXJGKKBEAM-OLZOCXBDSA-N 0 3 352.401 -0.262 20 0 FBADHN CN1CCN(C[C@@H](O)CN[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296833 484054635 /nfs/dbraw/zinc/05/46/35/484054635.db2.gz XZFIIXJGKKBEAM-QWHCGFSZSA-N 0 3 352.401 -0.262 20 0 FBADHN CN1CCN(C[C@@H](O)CN[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296834 484053735 /nfs/dbraw/zinc/05/37/35/484053735.db2.gz XZFIIXJGKKBEAM-STQMWFEESA-N 0 3 352.401 -0.262 20 0 FBADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000582306309 484083633 /nfs/dbraw/zinc/08/36/33/484083633.db2.gz JZFMSXCSSZWCTP-UHFFFAOYSA-N 0 3 369.447 -0.728 20 0 FBADHN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582312827 484105976 /nfs/dbraw/zinc/10/59/76/484105976.db2.gz LXEHNXAMQNNHKU-CHWSQXEVSA-N 0 3 374.445 -0.213 20 0 FBADHN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582312828 484105960 /nfs/dbraw/zinc/10/59/60/484105960.db2.gz LXEHNXAMQNNHKU-OLZOCXBDSA-N 0 3 374.445 -0.213 20 0 FBADHN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582312829 484105337 /nfs/dbraw/zinc/10/53/37/484105337.db2.gz LXEHNXAMQNNHKU-QWHCGFSZSA-N 0 3 374.445 -0.213 20 0 FBADHN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582312830 484105363 /nfs/dbraw/zinc/10/53/63/484105363.db2.gz LXEHNXAMQNNHKU-STQMWFEESA-N 0 3 374.445 -0.213 20 0 FBADHN COCCOCCOCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582312862 484108807 /nfs/dbraw/zinc/10/88/07/484108807.db2.gz NCHWOFHUNCYRQF-KBPBESRZSA-N 0 3 358.439 -0.991 20 0 FBADHN COCCOCCOCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582312863 484108254 /nfs/dbraw/zinc/10/82/54/484108254.db2.gz NCHWOFHUNCYRQF-KGLIPLIRSA-N 0 3 358.439 -0.991 20 0 FBADHN COCCOCCOCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582312864 484108631 /nfs/dbraw/zinc/10/86/31/484108631.db2.gz NCHWOFHUNCYRQF-UONOGXRCSA-N 0 3 358.439 -0.991 20 0 FBADHN COCCOCCOCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582312865 484108434 /nfs/dbraw/zinc/10/84/34/484108434.db2.gz NCHWOFHUNCYRQF-ZIAGYGMSSA-N 0 3 358.439 -0.991 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)c(F)c(F)c3)CCN2C1=O ZINC000582313094 484108354 /nfs/dbraw/zinc/10/83/54/484108354.db2.gz YNBJYNBUFMCOKC-GZMMTYOYSA-N 0 3 356.304 -0.187 20 0 FBADHN 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/nfs/dbraw/zinc/16/39/11/484163911.db2.gz RGDOUTFTLMBHOZ-OAHLLOKOSA-N 0 3 363.462 -0.014 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000582350235 484166547 /nfs/dbraw/zinc/16/65/47/484166547.db2.gz ZFUHTHOQNJSDSB-AWEZNQCLSA-N 0 3 369.491 -0.231 20 0 FBADHN CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000582350236 484166718 /nfs/dbraw/zinc/16/67/18/484166718.db2.gz ZFUHTHOQNJSDSB-CQSZACIVSA-N 0 3 369.491 -0.231 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)[C@H](CN)C1 ZINC000582350506 484166595 /nfs/dbraw/zinc/16/65/95/484166595.db2.gz JOZDIMMLNXQJDP-CABCVRRESA-N 0 3 359.430 -0.991 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)[C@@H](CN)C1 ZINC000582350507 484166311 /nfs/dbraw/zinc/16/63/11/484166311.db2.gz JOZDIMMLNXQJDP-GJZGRUSLSA-N 0 3 359.430 -0.991 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)[C@H](CN)C1 ZINC000582350508 484165873 /nfs/dbraw/zinc/16/58/73/484165873.db2.gz JOZDIMMLNXQJDP-HUUCEWRRSA-N 0 3 359.430 -0.991 20 0 FBADHN 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/nfs/dbraw/zinc/48/20/50/484482050.db2.gz ZRCHKFXXEGKTCM-CYBMUJFWSA-N 0 3 371.459 -0.208 20 0 FBADHN CN(C)S(=O)(=O)CCNC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000582721706 484482317 /nfs/dbraw/zinc/48/23/17/484482317.db2.gz ZRCHKFXXEGKTCM-ZDUSSCGKSA-N 0 3 371.459 -0.208 20 0 FBADHN CN1CCN(Cc2cccc(C(=O)NCC(=O)N3CCNCC3)c2)CC1 ZINC000582727681 484482463 /nfs/dbraw/zinc/48/24/63/484482463.db2.gz MVDNFODTIUCZEM-UHFFFAOYSA-N 0 3 359.474 -0.404 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000582731577 484481845 /nfs/dbraw/zinc/48/18/45/484481845.db2.gz DGVVJYDDBJJCPJ-CYBMUJFWSA-N 0 3 354.432 -0.505 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000582731578 484482226 /nfs/dbraw/zinc/48/22/26/484482226.db2.gz DGVVJYDDBJJCPJ-ZDUSSCGKSA-N 0 3 354.432 -0.505 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC2CCN(C(=O)C3CC3)CC2)n1 ZINC000582732795 484483516 /nfs/dbraw/zinc/48/35/16/484483516.db2.gz HWJISQDIUYZSAL-UHFFFAOYSA-N 0 3 363.466 -0.825 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000582734326 484483681 /nfs/dbraw/zinc/48/36/81/484483681.db2.gz WKOOWWISGHFFQB-UHFFFAOYSA-N 0 3 368.478 -0.269 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000582738608 484483603 /nfs/dbraw/zinc/48/36/03/484483603.db2.gz JPEICHSPASPFJN-KGLIPLIRSA-N 0 3 374.507 -0.531 20 0 FBADHN Cc1cccc(C[C@@H](CO)Nc2nc(NCCO)nc(NC(C)C)n2)c1 ZINC000582743193 484483095 /nfs/dbraw/zinc/48/30/95/484483095.db2.gz WISHWQOSEZJBEB-HNNXBMFYSA-N 0 3 360.462 -0.314 20 0 FBADHN Cc1cccc(C[C@H](CO)Nc2nc(NCCO)nc(NC(C)C)n2)c1 ZINC000582743194 484483958 /nfs/dbraw/zinc/48/39/58/484483958.db2.gz WISHWQOSEZJBEB-OAHLLOKOSA-N 0 3 360.462 -0.314 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582743248 484533437 /nfs/dbraw/zinc/53/34/37/484533437.db2.gz YXIRTIABBVEZSQ-CHWSQXEVSA-N 0 3 363.466 0.141 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582743249 484516069 /nfs/dbraw/zinc/51/60/69/484516069.db2.gz YXIRTIABBVEZSQ-OLZOCXBDSA-N 0 3 363.466 0.141 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582743250 484533208 /nfs/dbraw/zinc/53/32/08/484533208.db2.gz YXIRTIABBVEZSQ-QWHCGFSZSA-N 0 3 363.466 0.141 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000582743251 484515798 /nfs/dbraw/zinc/51/57/98/484515798.db2.gz YXIRTIABBVEZSQ-STQMWFEESA-N 0 3 363.466 0.141 20 0 FBADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000582747672 484484809 /nfs/dbraw/zinc/48/48/09/484484809.db2.gz FLOHQUPUSXCQFR-JTQLQIEISA-N 0 3 374.463 -0.366 20 0 FBADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000582747673 484485272 /nfs/dbraw/zinc/48/52/72/484485272.db2.gz FLOHQUPUSXCQFR-SNVBAGLBSA-N 0 3 374.463 -0.366 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)NCC1(SC)CCN(C)CC1 ZINC000582757081 484484919 /nfs/dbraw/zinc/48/49/19/484484919.db2.gz WAZNRVFEEDCWHB-UHFFFAOYSA-N 0 3 367.537 -0.114 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CCN1 ZINC000582775869 484490037 /nfs/dbraw/zinc/49/00/37/484490037.db2.gz SGYAXNKELJQZRZ-AEFFLSMTSA-N 0 3 373.501 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CCN1 ZINC000582775870 484490605 /nfs/dbraw/zinc/49/06/05/484490605.db2.gz SGYAXNKELJQZRZ-SJLPKXTDSA-N 0 3 373.501 -0.088 20 0 FBADHN CCNC(=O)COc1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000582780390 484493164 /nfs/dbraw/zinc/49/31/64/484493164.db2.gz MUKYTVJEYCNPSU-INIZCTEOSA-N 0 3 351.447 -0.016 20 0 FBADHN CCNC(=O)COc1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000582780391 484492633 /nfs/dbraw/zinc/49/26/33/484492633.db2.gz MUKYTVJEYCNPSU-MRXNPFEDSA-N 0 3 351.447 -0.016 20 0 FBADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCC(=O)N1CCNCC1 ZINC000582784265 484496088 /nfs/dbraw/zinc/49/60/88/484496088.db2.gz OXTGZRRPDDFYAB-LLVKDONJSA-N 0 3 358.402 -0.771 20 0 FBADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCC(=O)N1CCNCC1 ZINC000582784266 484496325 /nfs/dbraw/zinc/49/63/25/484496325.db2.gz OXTGZRRPDDFYAB-NSHDSACASA-N 0 3 358.402 -0.771 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@H]2CCO)CC1 ZINC000582800543 484500221 /nfs/dbraw/zinc/50/02/21/484500221.db2.gz WNRZBPQJIWRMKF-INIZCTEOSA-N 0 3 354.495 -0.106 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@@H]2CCO)CC1 ZINC000582800545 484499441 /nfs/dbraw/zinc/49/94/41/484499441.db2.gz WNRZBPQJIWRMKF-MRXNPFEDSA-N 0 3 354.495 -0.106 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C1 ZINC000582802652 484499589 /nfs/dbraw/zinc/49/95/89/484499589.db2.gz BEMANTSXJLTWBB-CABCVRRESA-N 0 3 370.494 -0.873 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C1 ZINC000582802656 484499980 /nfs/dbraw/zinc/49/99/80/484499980.db2.gz BEMANTSXJLTWBB-GJZGRUSLSA-N 0 3 370.494 -0.873 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C1 ZINC000582802658 484500904 /nfs/dbraw/zinc/50/09/04/484500904.db2.gz BEMANTSXJLTWBB-HUUCEWRRSA-N 0 3 370.494 -0.873 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C1 ZINC000582802659 484501153 /nfs/dbraw/zinc/50/11/53/484501153.db2.gz BEMANTSXJLTWBB-LSDHHAIUSA-N 0 3 370.494 -0.873 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000582802660 484501363 /nfs/dbraw/zinc/50/13/63/484501363.db2.gz BFCNHFDROMXSQX-CYBMUJFWSA-N 0 3 372.491 -0.777 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000582802665 484501421 /nfs/dbraw/zinc/50/14/21/484501421.db2.gz BFCNHFDROMXSQX-ZDUSSCGKSA-N 0 3 372.491 -0.777 20 0 FBADHN CCN(CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1CC1 ZINC000582836403 484506852 /nfs/dbraw/zinc/50/68/52/484506852.db2.gz GIFMUGAPIOTVNT-CYBMUJFWSA-N 0 3 360.480 -0.873 20 0 FBADHN CN1CCC(CNC(=O)C(=O)N2CCSCC2)(N2CCOCC2)CC1 ZINC000582839208 484506727 /nfs/dbraw/zinc/50/67/27/484506727.db2.gz BVBPGYXROHTRFX-UHFFFAOYSA-N 0 3 370.519 -0.525 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)[C@H](CN)C1 ZINC000582839822 484506683 /nfs/dbraw/zinc/50/66/83/484506683.db2.gz RXAKUYXGAXFPDY-CVEARBPZSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000582839823 484506775 /nfs/dbraw/zinc/50/67/75/484506775.db2.gz RXAKUYXGAXFPDY-HOTGVXAUSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCCCC3)C2)[C@H](CN)C1 ZINC000582839824 484506859 /nfs/dbraw/zinc/50/68/59/484506859.db2.gz RXAKUYXGAXFPDY-HZPDHXFCSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000582839825 484506635 /nfs/dbraw/zinc/50/66/35/484506635.db2.gz RXAKUYXGAXFPDY-JKSUJKDBSA-N 0 3 352.479 -0.105 20 0 FBADHN CCn1nc(C)c(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1C ZINC000582840217 484506252 /nfs/dbraw/zinc/50/62/52/484506252.db2.gz OQXZSNLPBWKLNJ-JKSUJKDBSA-N 0 3 373.461 -0.177 20 0 FBADHN NC(C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C(F)(F)F ZINC000582843689 484506419 /nfs/dbraw/zinc/50/64/19/484506419.db2.gz UWYZXRXAZYBPAH-JTQLQIEISA-N 0 3 374.385 -0.966 20 0 FBADHN NC(C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C(F)(F)F ZINC000582843690 484506264 /nfs/dbraw/zinc/50/62/64/484506264.db2.gz UWYZXRXAZYBPAH-SNVBAGLBSA-N 0 3 374.385 -0.966 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cn1 ZINC000582843938 484506796 /nfs/dbraw/zinc/50/67/96/484506796.db2.gz HRFOEACECNPYJH-UHFFFAOYSA-N 0 3 356.448 -0.040 20 0 FBADHN O=C(Cn1cnc2ccccc2c1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000582844564 484506814 /nfs/dbraw/zinc/50/68/14/484506814.db2.gz XHKBLPYIHFXFDH-UHFFFAOYSA-N 0 3 354.374 -0.437 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000582854947 484507637 /nfs/dbraw/zinc/50/76/37/484507637.db2.gz CPGWQTJXVSOMHM-QEJZJMRPSA-N 0 3 355.460 -0.205 20 0 FBADHN CN1CCC2(CCCN2C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000582859011 484507718 /nfs/dbraw/zinc/50/77/18/484507718.db2.gz BSCUHANZESNBFH-UHFFFAOYSA-N 0 3 352.479 -0.088 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@H](C)O1 ZINC000582895810 484508733 /nfs/dbraw/zinc/50/87/33/484508733.db2.gz QFBRRXQRMNZSDE-JYJNAYRXSA-N 0 3 370.494 -0.752 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@@H](C)O1 ZINC000582895813 484508350 /nfs/dbraw/zinc/50/83/50/484508350.db2.gz QFBRRXQRMNZSDE-OAGGEKHMSA-N 0 3 370.494 -0.752 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@H](C)O1 ZINC000582895814 484508548 /nfs/dbraw/zinc/50/85/48/484508548.db2.gz QFBRRXQRMNZSDE-PMPSAXMXSA-N 0 3 370.494 -0.752 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@@H](C)O1 ZINC000582895815 484509013 /nfs/dbraw/zinc/50/90/13/484509013.db2.gz QFBRRXQRMNZSDE-XHSDSOJGSA-N 0 3 370.494 -0.752 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H](C)O1 ZINC000582895927 484508952 /nfs/dbraw/zinc/50/89/52/484508952.db2.gz XAVRXYXXFUDNRR-DVOMOZLQSA-N 0 3 359.492 -0.198 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H](C)O1 ZINC000582895928 484509027 /nfs/dbraw/zinc/50/90/27/484509027.db2.gz XAVRXYXXFUDNRR-HEHGZKQESA-N 0 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/nfs/dbraw/zinc/50/92/96/484509296.db2.gz HSADKZZPRPDSIS-KGLIPLIRSA-N 0 3 351.447 -0.045 20 0 FBADHN C[C@@H](O)CN(C(=O)C(=O)NCc1ccc(CN(C)C)cc1)[C@@H](C)CO ZINC000582911460 484509370 /nfs/dbraw/zinc/50/93/70/484509370.db2.gz HSADKZZPRPDSIS-UONOGXRCSA-N 0 3 351.447 -0.045 20 0 FBADHN C[C@@H](O)CN(C(=O)C(=O)NCc1ccc(CN(C)C)cc1)[C@H](C)CO ZINC000582911461 484509502 /nfs/dbraw/zinc/50/95/02/484509502.db2.gz HSADKZZPRPDSIS-ZIAGYGMSSA-N 0 3 351.447 -0.045 20 0 FBADHN COc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582914883 484509417 /nfs/dbraw/zinc/50/94/17/484509417.db2.gz HGHJOHIDDMYGIB-GHMZBOCLSA-N 0 3 350.350 -0.457 20 0 FBADHN COc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582914884 484509915 /nfs/dbraw/zinc/50/99/15/484509915.db2.gz HGHJOHIDDMYGIB-MNOVXSKESA-N 0 3 350.350 -0.457 20 0 FBADHN COc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582914885 484510192 /nfs/dbraw/zinc/51/01/92/484510192.db2.gz HGHJOHIDDMYGIB-QWRGUYRKSA-N 0 3 350.350 -0.457 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Cc1ccccc1[C@H](N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000583203005 484528693 /nfs/dbraw/zinc/52/86/93/484528693.db2.gz DZQHTABETFYWTA-HNNXBMFYSA-N 0 3 352.460 -0.559 20 0 FBADHN Cc1ccccc1[C@@H](N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000583203006 484528714 /nfs/dbraw/zinc/52/87/14/484528714.db2.gz DZQHTABETFYWTA-OAHLLOKOSA-N 0 3 352.460 -0.559 20 0 FBADHN COCC(COC)N1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000583213405 484530639 /nfs/dbraw/zinc/53/06/39/484530639.db2.gz GNGPZGHKZIRGAE-UHFFFAOYSA-N 0 3 353.467 -0.136 20 0 FBADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583215413 484529968 /nfs/dbraw/zinc/52/99/68/484529968.db2.gz SOFCSOYPLGHFQK-HLTSFMKQSA-N 0 3 351.329 -0.993 20 0 FBADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583215415 484530746 /nfs/dbraw/zinc/53/07/46/484530746.db2.gz SOFCSOYPLGHFQK-HRDYMLBCSA-N 0 3 351.329 -0.993 20 0 FBADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583215417 484529918 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/nfs/dbraw/zinc/53/89/38/484538938.db2.gz ICFATRHJCYLDGO-UHFFFAOYSA-N 0 3 360.458 -0.204 20 0 FBADHN CN(CCCNC(=O)CN1CCc2ccccc2[C@@H]1CN)S(C)(=O)=O ZINC000583264033 484536500 /nfs/dbraw/zinc/53/65/00/484536500.db2.gz AMTYMEQFAHNNHL-INIZCTEOSA-N 0 3 368.503 -0.058 20 0 FBADHN CN(CCCNC(=O)CN1CCc2ccccc2[C@H]1CN)S(C)(=O)=O ZINC000583264034 484537205 /nfs/dbraw/zinc/53/72/05/484537205.db2.gz AMTYMEQFAHNNHL-MRXNPFEDSA-N 0 3 368.503 -0.058 20 0 FBADHN O=C([C@@H]1Cc2ccccc2CN1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000583265306 484539281 /nfs/dbraw/zinc/53/92/81/484539281.db2.gz YZQJCFHQEKGTTB-INIZCTEOSA-N 0 3 364.471 -0.853 20 0 FBADHN O=C([C@H]1Cc2ccccc2CN1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000583265308 484538853 /nfs/dbraw/zinc/53/88/53/484538853.db2.gz YZQJCFHQEKGTTB-MRXNPFEDSA-N 0 3 364.471 -0.853 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3c(F)cccc3Cl)CCN2C1=O ZINC000583274622 484540512 /nfs/dbraw/zinc/54/05/12/484540512.db2.gz JBRSXWQJVJIZTM-NOZJJQNGSA-N 0 3 368.796 -0.134 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3c(F)cccc3Cl)CCN2C1=O ZINC000583274623 484540382 /nfs/dbraw/zinc/54/03/82/484540382.db2.gz JBRSXWQJVJIZTM-RNCFNFMXSA-N 0 3 368.796 -0.134 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3c(F)cccc3Cl)CCN2C1=O ZINC000583274624 484539858 /nfs/dbraw/zinc/53/98/58/484539858.db2.gz JBRSXWQJVJIZTM-TVQRCGJNSA-N 0 3 368.796 -0.134 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3c(F)cccc3Cl)CCN2C1=O ZINC000583274625 484540502 /nfs/dbraw/zinc/54/05/02/484540502.db2.gz JBRSXWQJVJIZTM-ZANVPECISA-N 0 3 368.796 -0.134 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3nc(C4CC4)cs3)CCN2C1=O ZINC000583274909 484540665 /nfs/dbraw/zinc/54/06/65/484540665.db2.gz UJGQMGNQQCUUND-GHMZBOCLSA-N 0 3 363.443 -0.593 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3nc(C4CC4)cs3)CCN2C1=O ZINC000583274910 484540460 /nfs/dbraw/zinc/54/04/60/484540460.db2.gz UJGQMGNQQCUUND-MNOVXSKESA-N 0 3 363.443 -0.593 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3nc(C4CC4)cs3)CCN2C1=O ZINC000583274911 484540326 /nfs/dbraw/zinc/54/03/26/484540326.db2.gz UJGQMGNQQCUUND-QWRGUYRKSA-N 0 3 363.443 -0.593 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3nc(C4CC4)cs3)CCN2C1=O ZINC000583274912 484540344 /nfs/dbraw/zinc/54/03/44/484540344.db2.gz UJGQMGNQQCUUND-WDEREUQCSA-N 0 3 363.443 -0.593 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccnc(N3CCCC3)c2)[C@@H](CN)C1 ZINC000583312228 484544010 /nfs/dbraw/zinc/54/40/10/484544010.db2.gz SDYDMLYTSHWXJV-HNNXBMFYSA-N 0 3 360.462 -0.601 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccnc(N3CCCC3)c2)[C@H](CN)C1 ZINC000583312229 484543120 /nfs/dbraw/zinc/54/31/20/484543120.db2.gz SDYDMLYTSHWXJV-OAHLLOKOSA-N 0 3 360.462 -0.601 20 0 FBADHN CN1CCN(C)[C@H](CNC[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000583317366 484542799 /nfs/dbraw/zinc/54/27/99/484542799.db2.gz GCEPIYCMIQJYFO-CVEARBPZSA-N 0 3 361.446 -0.300 20 0 FBADHN CN1CCN(C)[C@@H](CNC[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000583317367 484543551 /nfs/dbraw/zinc/54/35/51/484543551.db2.gz GCEPIYCMIQJYFO-HOTGVXAUSA-N 0 3 361.446 -0.300 20 0 FBADHN CN1CCN(C)[C@H](CNC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000583317368 484543800 /nfs/dbraw/zinc/54/38/00/484543800.db2.gz GCEPIYCMIQJYFO-HZPDHXFCSA-N 0 3 361.446 -0.300 20 0 FBADHN CN1CCN(C)[C@@H](CNC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000583317369 484543883 /nfs/dbraw/zinc/54/38/83/484543883.db2.gz GCEPIYCMIQJYFO-JKSUJKDBSA-N 0 3 361.446 -0.300 20 0 FBADHN CN1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)[C@H](CN)C1 ZINC000583320580 484545457 /nfs/dbraw/zinc/54/54/57/484545457.db2.gz CPENYMBZVUNZAT-LLVKDONJSA-N 0 3 351.432 -0.547 20 0 FBADHN CN1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)[C@@H](CN)C1 ZINC000583320581 484545535 /nfs/dbraw/zinc/54/55/35/484545535.db2.gz CPENYMBZVUNZAT-NSHDSACASA-N 0 3 351.432 -0.547 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000583328245 484544945 /nfs/dbraw/zinc/54/49/45/484544945.db2.gz BZBBYQSOHRMJDW-UHFFFAOYSA-N 0 3 369.491 -0.020 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1O ZINC000583330268 483401592 /nfs/dbraw/zinc/40/15/92/483401592.db2.gz SHKODHMZJPIWOE-KBPBESRZSA-N 0 3 350.419 -0.829 20 0 FBADHN CN1CCC(CNC(=O)N2CCn3nncc3C2)(N2CCOCC2)CC1 ZINC000583331277 483407685 /nfs/dbraw/zinc/40/76/85/483407685.db2.gz YFOJBLIOPROCTG-UHFFFAOYSA-N 0 3 363.466 -0.400 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000583331669 483407854 /nfs/dbraw/zinc/40/78/54/483407854.db2.gz KSCJBQMQRBCXRJ-CYBMUJFWSA-N 0 3 357.480 -0.011 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000583331670 483407697 /nfs/dbraw/zinc/40/76/97/483407697.db2.gz KSCJBQMQRBCXRJ-ZDUSSCGKSA-N 0 3 357.480 -0.011 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)CCN2CCOCC2)CCSC1 ZINC000583336520 483408709 /nfs/dbraw/zinc/40/87/09/483408709.db2.gz QBYCNFKRWJSIPV-INIZCTEOSA-N 0 3 358.508 -0.670 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)CCN2CCOCC2)CCSC1 ZINC000583336521 483409121 /nfs/dbraw/zinc/40/91/21/483409121.db2.gz QBYCNFKRWJSIPV-MRXNPFEDSA-N 0 3 358.508 -0.670 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000583338590 483408728 /nfs/dbraw/zinc/40/87/28/483408728.db2.gz WCIHATWROSTIEP-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000583338591 483409174 /nfs/dbraw/zinc/40/91/74/483409174.db2.gz WCIHATWROSTIEP-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000583340497 483408910 /nfs/dbraw/zinc/40/89/10/483408910.db2.gz BSVSJIAJCGDHMT-UHFFFAOYSA-N 0 3 360.462 -0.098 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cn1C ZINC000583362470 483878086 /nfs/dbraw/zinc/87/80/86/483878086.db2.gz DTIBFNWMJZWULC-QWHCGFSZSA-N 0 3 355.464 -0.393 20 0 FBADHN CC(C)(CN1CCOCC1)NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000583367906 483879139 /nfs/dbraw/zinc/87/91/39/483879139.db2.gz CHGIFJPLJCQOPK-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)NC1CNC1 ZINC000583371863 483879756 /nfs/dbraw/zinc/87/97/56/483879756.db2.gz DUOCEHGJSQNRIO-UHFFFAOYSA-N 0 3 369.219 -0.100 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000583376203 657648875 /nfs/dbraw/zinc/64/88/75/657648875.db2.gz CPMPKMNXMBHJOW-GUTXKFCHSA-N 0 3 357.476 -0.106 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 ZINC000583376204 483881252 /nfs/dbraw/zinc/88/12/52/483881252.db2.gz CPMPKMNXMBHJOW-NFAWXSAZSA-N 0 3 357.476 -0.106 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 ZINC000583376205 483881421 /nfs/dbraw/zinc/88/14/21/483881421.db2.gz CPMPKMNXMBHJOW-UMVBOHGHSA-N 0 3 357.476 -0.106 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000583376206 483881212 /nfs/dbraw/zinc/88/12/12/483881212.db2.gz CPMPKMNXMBHJOW-VNHYZAJKSA-N 0 3 357.476 -0.106 20 0 FBADHN CCC(=O)N[C@@H](CCSC)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000583380112 483881672 /nfs/dbraw/zinc/88/16/72/483881672.db2.gz LDGZJINOVNJQRX-JTQLQIEISA-N 0 3 355.468 -0.199 20 0 FBADHN CCC(=O)N[C@H](CCSC)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000583380113 483881932 /nfs/dbraw/zinc/88/19/32/483881932.db2.gz LDGZJINOVNJQRX-SNVBAGLBSA-N 0 3 355.468 -0.199 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000583380450 483881566 /nfs/dbraw/zinc/88/15/66/483881566.db2.gz JPUFCWOKJKPFJP-LLVKDONJSA-N 0 3 366.390 -0.334 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000583380451 483881709 /nfs/dbraw/zinc/88/17/09/483881709.db2.gz JPUFCWOKJKPFJP-NSHDSACASA-N 0 3 366.390 -0.334 20 0 FBADHN O=C(CNC(=O)NCCN1CCCC1=O)NCCN1CCCCCC1 ZINC000583385767 483882159 /nfs/dbraw/zinc/88/21/59/483882159.db2.gz SUCXJXWQAAKEKM-UHFFFAOYSA-N 0 3 353.467 -0.100 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccn(CCN(C)C)n3)C2)nn1 ZINC000583390354 483882592 /nfs/dbraw/zinc/88/25/92/483882592.db2.gz OGFIKGAUJAKYEZ-GFCCVEGCSA-N 0 3 361.406 -0.090 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(C(=O)c3ccn(CCN(C)C)n3)C2)nn1 ZINC000583390355 483882613 /nfs/dbraw/zinc/88/26/13/483882613.db2.gz OGFIKGAUJAKYEZ-LBPRGKRZSA-N 0 3 361.406 -0.090 20 0 FBADHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583392322 483883265 /nfs/dbraw/zinc/88/32/65/483883265.db2.gz CLXOXXFVQWXAIZ-KYEXWDHISA-N 0 3 362.434 -0.549 20 0 FBADHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583392323 483883033 /nfs/dbraw/zinc/88/30/33/483883033.db2.gz CLXOXXFVQWXAIZ-PWNZVWSESA-N 0 3 362.434 -0.549 20 0 FBADHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583392324 483882998 /nfs/dbraw/zinc/88/29/98/483882998.db2.gz CLXOXXFVQWXAIZ-RMRHIDDWSA-N 0 3 362.434 -0.549 20 0 FBADHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583392325 483883059 /nfs/dbraw/zinc/88/30/59/483883059.db2.gz CLXOXXFVQWXAIZ-SFDCQRBFSA-N 0 3 362.434 -0.549 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3F)CCN2C1=O ZINC000583392513 483883237 /nfs/dbraw/zinc/88/32/37/483883237.db2.gz IWPRKOMOQZGKCQ-AAEUAGOBSA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3F)CCN2C1=O ZINC000583392514 483883240 /nfs/dbraw/zinc/88/32/40/483883240.db2.gz IWPRKOMOQZGKCQ-DGCLKSJQSA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3F)CCN2C1=O ZINC000583392515 483882976 /nfs/dbraw/zinc/88/29/76/483882976.db2.gz IWPRKOMOQZGKCQ-WCQYABFASA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3F)CCN2C1=O ZINC000583392516 483883165 /nfs/dbraw/zinc/88/31/65/483883165.db2.gz IWPRKOMOQZGKCQ-YPMHNXCESA-N 0 3 352.341 -0.649 20 0 FBADHN COC1CCC(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000583392622 483883172 /nfs/dbraw/zinc/88/31/72/483883172.db2.gz LKONJWLXLLGOCO-HXSCFSKGSA-N 0 3 366.462 -0.532 20 0 FBADHN COC1CCC(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000583392623 483883230 /nfs/dbraw/zinc/88/32/30/483883230.db2.gz LKONJWLXLLGOCO-JYVUQVBGSA-N 0 3 366.462 -0.532 20 0 FBADHN COC1CCC(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000583392624 483883252 /nfs/dbraw/zinc/88/32/52/483883252.db2.gz LKONJWLXLLGOCO-OOJKYFRXSA-N 0 3 366.462 -0.532 20 0 FBADHN COC1CCC(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000583392625 483883292 /nfs/dbraw/zinc/88/32/92/483883292.db2.gz LKONJWLXLLGOCO-SHWKFHJASA-N 0 3 366.462 -0.532 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000583397647 483884413 /nfs/dbraw/zinc/88/44/13/483884413.db2.gz GBZKBYWUYKWUEO-CYBMUJFWSA-N 0 3 362.496 -0.673 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000583397648 483884498 /nfs/dbraw/zinc/88/44/98/483884498.db2.gz GBZKBYWUYKWUEO-ZDUSSCGKSA-N 0 3 362.496 -0.673 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCNCC2)c1 ZINC000583399354 483884545 /nfs/dbraw/zinc/88/45/45/483884545.db2.gz LBNLRSWXBVWYJA-UHFFFAOYSA-N 0 3 368.459 -0.511 20 0 FBADHN Cc1nn(C)cc1S(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000583418347 483889353 /nfs/dbraw/zinc/88/93/53/483889353.db2.gz RDMWAOILOFMDGE-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN 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C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000583698936 484469050 /nfs/dbraw/zinc/46/90/50/484469050.db2.gz VTOGQVJMVXQICT-HNNXBMFYSA-N 0 3 367.494 -0.743 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000583698937 484469522 /nfs/dbraw/zinc/46/95/22/484469522.db2.gz VTOGQVJMVXQICT-OAHLLOKOSA-N 0 3 367.494 -0.743 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NCCc2ccco2)CC1 ZINC000583700322 484469234 /nfs/dbraw/zinc/46/92/34/484469234.db2.gz VSOIPWFOWYSIOV-UHFFFAOYSA-N 0 3 364.446 -0.003 20 0 FBADHN Cc1c(C(=O)N[C@H](C)C(=O)NCCN(C)C)cccc1S(N)(=O)=O ZINC000583702661 484470915 /nfs/dbraw/zinc/47/09/15/484470915.db2.gz ANNRFWILENNFSK-LLVKDONJSA-N 0 3 356.448 -0.561 20 0 FBADHN Cc1c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cccc1S(N)(=O)=O ZINC000583702662 484471013 /nfs/dbraw/zinc/47/10/13/484471013.db2.gz ANNRFWILENNFSK-NSHDSACASA-N 0 3 356.448 -0.561 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000583704466 484470338 /nfs/dbraw/zinc/47/03/38/484470338.db2.gz HJSDRPBRFAVTHW-AAEUAGOBSA-N 0 3 367.427 -0.220 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000583704467 484470418 /nfs/dbraw/zinc/47/04/18/484470418.db2.gz HJSDRPBRFAVTHW-DGCLKSJQSA-N 0 3 367.427 -0.220 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000583704468 484470862 /nfs/dbraw/zinc/47/08/62/484470862.db2.gz HJSDRPBRFAVTHW-WCQYABFASA-N 0 3 367.427 -0.220 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000583704469 484470446 /nfs/dbraw/zinc/47/04/46/484470446.db2.gz HJSDRPBRFAVTHW-YPMHNXCESA-N 0 3 367.427 -0.220 20 0 FBADHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CC2 ZINC000583705263 484470807 /nfs/dbraw/zinc/47/08/07/484470807.db2.gz PRZNVKKSZZPYHH-AGIUHOORSA-N 0 3 361.450 -0.330 20 0 FBADHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CC2 ZINC000583705264 484470625 /nfs/dbraw/zinc/47/06/25/484470625.db2.gz PRZNVKKSZZPYHH-FRRDWIJNSA-N 0 3 361.450 -0.330 20 0 FBADHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CC2 ZINC000583705265 484470431 /nfs/dbraw/zinc/47/04/31/484470431.db2.gz PRZNVKKSZZPYHH-JHJVBQTASA-N 0 3 361.450 -0.330 20 0 FBADHN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CC2 ZINC000583705266 484470459 /nfs/dbraw/zinc/47/04/59/484470459.db2.gz PRZNVKKSZZPYHH-UPJWGTAASA-N 0 3 361.450 -0.330 20 0 FBADHN Cc1onc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)c1C ZINC000583708716 484476998 /nfs/dbraw/zinc/47/69/98/484476998.db2.gz RUKCJDAXIWPQOD-UHFFFAOYSA-N 0 3 365.434 0.338 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000583709287 484471246 /nfs/dbraw/zinc/47/12/46/484471246.db2.gz URDWZEOFORMQAD-CQDKDKBSSA-N 0 3 371.459 -0.505 20 0 FBADHN CN1CCN(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)[C@H](CN)C1 ZINC000583742264 484551459 /nfs/dbraw/zinc/55/14/59/484551459.db2.gz BIUILTBDYPCRRZ-NEPJUHHUSA-N 0 3 353.389 -0.466 20 0 FBADHN CN1CCN(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)[C@@H](CN)C1 ZINC000583742265 484550999 /nfs/dbraw/zinc/55/09/99/484550999.db2.gz BIUILTBDYPCRRZ-NWDGAFQWSA-N 0 3 353.389 -0.466 20 0 FBADHN CN1CCN(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)[C@@H](CN)C1 ZINC000583742266 484552291 /nfs/dbraw/zinc/55/22/91/484552291.db2.gz BIUILTBDYPCRRZ-RYUDHWBXSA-N 0 3 353.389 -0.466 20 0 FBADHN CN1CCN(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)[C@H](CN)C1 ZINC000583742267 484552196 /nfs/dbraw/zinc/55/21/96/484552196.db2.gz BIUILTBDYPCRRZ-VXGBXAGGSA-N 0 3 353.389 -0.466 20 0 FBADHN O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000583743137 484551253 /nfs/dbraw/zinc/55/12/53/484551253.db2.gz JPOXHAPHJALCAG-UHFFFAOYSA-N 0 3 364.833 -0.359 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)CN2CCOCC2)s1 ZINC000583747719 484552100 /nfs/dbraw/zinc/55/21/00/484552100.db2.gz BCSGZGCXAJGXIX-CYBMUJFWSA-N 0 3 363.505 -0.382 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2CCOCC2)s1 ZINC000583747720 484551288 /nfs/dbraw/zinc/55/12/88/484551288.db2.gz BCSGZGCXAJGXIX-ZDUSSCGKSA-N 0 3 363.505 -0.382 20 0 FBADHN O=S(=O)(CCNC[C@H](O)COC1CCOCC1)NCC1CCC1 ZINC000583747912 484552241 /nfs/dbraw/zinc/55/22/41/484552241.db2.gz JTVBKIBBZVTICY-AWEZNQCLSA-N 0 3 350.481 -0.148 20 0 FBADHN O=S(=O)(CCNC[C@@H](O)COC1CCOCC1)NCC1CCC1 ZINC000583747913 484552156 /nfs/dbraw/zinc/55/21/56/484552156.db2.gz JTVBKIBBZVTICY-CQSZACIVSA-N 0 3 350.481 -0.148 20 0 FBADHN O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3CNCCC3(F)F)cc2[nH]c1=O ZINC000583752639 484551951 /nfs/dbraw/zinc/55/19/51/484551951.db2.gz VABHNPIFYNTTPR-JTQLQIEISA-N 0 3 360.342 -0.508 20 0 FBADHN O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CNCCC3(F)F)cc2[nH]c1=O ZINC000583752640 484551482 /nfs/dbraw/zinc/55/14/82/484551482.db2.gz VABHNPIFYNTTPR-SNVBAGLBSA-N 0 3 360.342 -0.508 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)[C@@H]2CC[NH2+]C2)s1 ZINC000583753543 484552311 /nfs/dbraw/zinc/55/23/11/484552311.db2.gz QOQSHXMVUXFDFB-LLVKDONJSA-N 0 3 374.488 -0.517 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)[C@H]2CC[NH2+]C2)s1 ZINC000583753544 484551704 /nfs/dbraw/zinc/55/17/04/484551704.db2.gz QOQSHXMVUXFDFB-NSHDSACASA-N 0 3 374.488 -0.517 20 0 FBADHN COC[C@@]1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)CCC[NH2+]1 ZINC000583753993 484552005 /nfs/dbraw/zinc/55/20/05/484552005.db2.gz VXMFNSQLDHDVFP-HNNXBMFYSA-N 0 3 359.423 -0.011 20 0 FBADHN COC[C@]1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)CCC[NH2+]1 ZINC000583753994 484551562 /nfs/dbraw/zinc/55/15/62/484551562.db2.gz VXMFNSQLDHDVFP-OAHLLOKOSA-N 0 3 359.423 -0.011 20 0 FBADHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000583757751 484529954 /nfs/dbraw/zinc/52/99/54/484529954.db2.gz GHHRWQYQWVLJSF-CHWSQXEVSA-N 0 3 361.450 -0.011 20 0 FBADHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000583757752 484530015 /nfs/dbraw/zinc/53/00/15/484530015.db2.gz GHHRWQYQWVLJSF-OLZOCXBDSA-N 0 3 361.450 -0.011 20 0 FBADHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000583757753 484537689 /nfs/dbraw/zinc/53/76/89/484537689.db2.gz GHHRWQYQWVLJSF-QWHCGFSZSA-N 0 3 361.450 -0.011 20 0 FBADHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000583757754 484538284 /nfs/dbraw/zinc/53/82/84/484538284.db2.gz GHHRWQYQWVLJSF-STQMWFEESA-N 0 3 361.450 -0.011 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCN2C1=O ZINC000583763662 484553920 /nfs/dbraw/zinc/55/39/20/484553920.db2.gz HMJCBMWDOTZZAG-GHMZBOCLSA-N 0 3 353.400 -0.610 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCN2C1=O ZINC000583763663 484552904 /nfs/dbraw/zinc/55/29/04/484552904.db2.gz HMJCBMWDOTZZAG-MNOVXSKESA-N 0 3 353.400 -0.610 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCN2C1=O ZINC000583763664 484553947 /nfs/dbraw/zinc/55/39/47/484553947.db2.gz HMJCBMWDOTZZAG-QWRGUYRKSA-N 0 3 353.400 -0.610 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OCCO4)CCN2C1=O ZINC000583763665 484553742 /nfs/dbraw/zinc/55/37/42/484553742.db2.gz HMJCBMWDOTZZAG-WDEREUQCSA-N 0 3 353.400 -0.610 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000583764415 484553961 /nfs/dbraw/zinc/55/39/61/484553961.db2.gz IKHRIGLUYADQPV-GXTWGEPZSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000583764416 484553834 /nfs/dbraw/zinc/55/38/34/484553834.db2.gz IKHRIGLUYADQPV-JSGCOSHPSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000583764417 484552744 /nfs/dbraw/zinc/55/27/44/484552744.db2.gz IKHRIGLUYADQPV-OCCSQVGLSA-N 0 3 364.377 -0.909 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(F)cc3)CCN2C1=O ZINC000583764418 484552681 /nfs/dbraw/zinc/55/26/81/484552681.db2.gz IKHRIGLUYADQPV-TZMCWYRMSA-N 0 3 364.377 -0.909 20 0 FBADHN CCc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cs1 ZINC000583764470 484553284 /nfs/dbraw/zinc/55/32/84/484553284.db2.gz KDPAGCPJNZPDSI-GHMZBOCLSA-N 0 3 351.432 -0.908 20 0 FBADHN CCc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cs1 ZINC000583764471 484552808 /nfs/dbraw/zinc/55/28/08/484552808.db2.gz KDPAGCPJNZPDSI-MNOVXSKESA-N 0 3 351.432 -0.908 20 0 FBADHN CCc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cs1 ZINC000583764472 484552661 /nfs/dbraw/zinc/55/26/61/484552661.db2.gz KDPAGCPJNZPDSI-QWRGUYRKSA-N 0 3 351.432 -0.908 20 0 FBADHN CCc1nc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cs1 ZINC000583764473 484553623 /nfs/dbraw/zinc/55/36/23/484553623.db2.gz KDPAGCPJNZPDSI-WDEREUQCSA-N 0 3 351.432 -0.908 20 0 FBADHN COC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000583764646 484553906 /nfs/dbraw/zinc/55/39/06/484553906.db2.gz OTJRLUJRWVBBQL-CABCVRRESA-N 0 3 360.414 -0.031 20 0 FBADHN COC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000583764647 484553067 /nfs/dbraw/zinc/55/30/67/484553067.db2.gz OTJRLUJRWVBBQL-GJZGRUSLSA-N 0 3 360.414 -0.031 20 0 FBADHN COC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000583764648 484553662 /nfs/dbraw/zinc/55/36/62/484553662.db2.gz OTJRLUJRWVBBQL-HUUCEWRRSA-N 0 3 360.414 -0.031 20 0 FBADHN COC(=O)c1cccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000583764649 484553551 /nfs/dbraw/zinc/55/35/51/484553551.db2.gz OTJRLUJRWVBBQL-LSDHHAIUSA-N 0 3 360.414 -0.031 20 0 FBADHN CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)CN(CC)CC)CC1 ZINC000583770889 484553314 /nfs/dbraw/zinc/55/33/14/484553314.db2.gz AKKPODIDDPTNQO-UHFFFAOYSA-N 0 3 356.467 -0.506 20 0 FBADHN O=C(CNC(=O)CNC(=O)c1ccccn1)NCCN1CCCCCC1 ZINC000583771348 484553463 /nfs/dbraw/zinc/55/34/63/484553463.db2.gz VICWFOGBWPHOOS-UHFFFAOYSA-N 0 3 361.446 -0.080 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000583798333 484557978 /nfs/dbraw/zinc/55/79/78/484557978.db2.gz FWSCMKHSTRMCQO-UHFFFAOYSA-N 0 3 353.511 -0.365 20 0 FBADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000583798405 484558196 /nfs/dbraw/zinc/55/81/96/484558196.db2.gz UAFLIGLTDFBUGS-HNNXBMFYSA-N 0 3 369.510 -0.545 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000583798406 484558523 /nfs/dbraw/zinc/55/85/23/484558523.db2.gz UAFLIGLTDFBUGS-OAHLLOKOSA-N 0 3 369.510 -0.545 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000583802596 484559562 /nfs/dbraw/zinc/55/95/62/484559562.db2.gz KONJUGBQPYNHEO-LLVKDONJSA-N 0 3 350.485 -0.690 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000583802597 484559949 /nfs/dbraw/zinc/55/99/49/484559949.db2.gz KONJUGBQPYNHEO-NSHDSACASA-N 0 3 350.485 -0.690 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)N1CCN(C)CC1 ZINC000583804976 484561342 /nfs/dbraw/zinc/56/13/42/484561342.db2.gz LBYAZGWTORMZEV-KBPBESRZSA-N 0 3 366.466 -0.796 20 0 FBADHN CC(C)[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)N1CCN(C)CC1 ZINC000583804977 484560826 /nfs/dbraw/zinc/56/08/26/484560826.db2.gz LBYAZGWTORMZEV-KGLIPLIRSA-N 0 3 366.466 -0.796 20 0 FBADHN CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)N1CCN(C)CC1 ZINC000583804978 484561026 /nfs/dbraw/zinc/56/10/26/484561026.db2.gz LBYAZGWTORMZEV-UONOGXRCSA-N 0 3 366.466 -0.796 20 0 FBADHN CC(C)[C@@H](CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)N1CCN(C)CC1 ZINC000583804979 484561061 /nfs/dbraw/zinc/56/10/61/484561061.db2.gz LBYAZGWTORMZEV-ZIAGYGMSSA-N 0 3 366.466 -0.796 20 0 FBADHN CN(C)Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 ZINC000583811611 484565365 /nfs/dbraw/zinc/56/53/65/484565365.db2.gz LTUYJMMFGNITQY-UHFFFAOYSA-N 0 3 366.487 -0.192 20 0 FBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000583815263 484570800 /nfs/dbraw/zinc/57/08/00/484570800.db2.gz DYMYEBMJLJJNKM-AWEZNQCLSA-N 0 3 371.459 -0.117 20 0 FBADHN COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000583815264 484571092 /nfs/dbraw/zinc/57/10/92/484571092.db2.gz DYMYEBMJLJJNKM-CQSZACIVSA-N 0 3 371.459 -0.117 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000583817369 484571056 /nfs/dbraw/zinc/57/10/56/484571056.db2.gz JLIFWGPFMYQJJH-UHFFFAOYSA-N 0 3 357.414 -0.135 20 0 FBADHN C[C@@H](NC(=O)CNC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000583820882 484571237 /nfs/dbraw/zinc/57/12/37/484571237.db2.gz SKADZPWKXLIJNO-KCXAZCMYSA-N 0 3 366.437 -0.274 20 0 FBADHN C[C@H](NC(=O)CNC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000583820883 484571121 /nfs/dbraw/zinc/57/11/21/484571121.db2.gz SKADZPWKXLIJNO-RCBQFDQVSA-N 0 3 366.437 -0.274 20 0 FBADHN CCn1cc(-c2nn(C)cc2C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000583824087 484569610 /nfs/dbraw/zinc/56/96/10/484569610.db2.gz RPBQMXLCHAJKEJ-GXTWGEPZSA-N 0 3 357.418 -0.313 20 0 FBADHN CCn1cc(-c2nn(C)cc2C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000583824088 484569691 /nfs/dbraw/zinc/56/96/91/484569691.db2.gz RPBQMXLCHAJKEJ-JSGCOSHPSA-N 0 3 357.418 -0.313 20 0 FBADHN CCn1cc(-c2nn(C)cc2C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000583824089 484569105 /nfs/dbraw/zinc/56/91/05/484569105.db2.gz RPBQMXLCHAJKEJ-OCCSQVGLSA-N 0 3 357.418 -0.313 20 0 FBADHN CCn1cc(-c2nn(C)cc2C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000583824090 484569390 /nfs/dbraw/zinc/56/93/90/484569390.db2.gz RPBQMXLCHAJKEJ-TZMCWYRMSA-N 0 3 357.418 -0.313 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000583830460 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ZINC000584120596 483699519 /nfs/dbraw/zinc/69/95/19/483699519.db2.gz IGOQMSFEYFHTMN-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000584120597 483699380 /nfs/dbraw/zinc/69/93/80/483699380.db2.gz IGOQMSFEYFHTMN-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000584120598 483699446 /nfs/dbraw/zinc/69/94/46/483699446.db2.gz IGOQMSFEYFHTMN-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000584120599 483699533 /nfs/dbraw/zinc/69/95/33/483699533.db2.gz IGOQMSFEYFHTMN-LSDHHAIUSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@H](NC(=O)c1ccc(CN2CCOCC2)cn1)C(=O)NCCN(C)C ZINC000584123385 483699329 /nfs/dbraw/zinc/69/93/29/483699329.db2.gz VBADIUGWGAXJJB-AWEZNQCLSA-N 0 3 363.462 -0.290 20 0 FBADHN C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cn1)C(=O)NCCN(C)C ZINC000584123386 483699633 /nfs/dbraw/zinc/69/96/33/483699633.db2.gz VBADIUGWGAXJJB-CQSZACIVSA-N 0 3 363.462 -0.290 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1CCCCC1 ZINC000584125230 483699103 /nfs/dbraw/zinc/69/91/03/483699103.db2.gz QSKLNQNJMJTDNK-KBPBESRZSA-N 0 3 365.478 -0.863 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1CCCCC1 ZINC000584125231 483699254 /nfs/dbraw/zinc/69/92/54/483699254.db2.gz QSKLNQNJMJTDNK-KGLIPLIRSA-N 0 3 365.478 -0.863 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1CCCCC1 ZINC000584125232 483699262 /nfs/dbraw/zinc/69/92/62/483699262.db2.gz QSKLNQNJMJTDNK-UONOGXRCSA-N 0 3 365.478 -0.863 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1CCCCC1 ZINC000584125233 483699580 /nfs/dbraw/zinc/69/95/80/483699580.db2.gz QSKLNQNJMJTDNK-ZIAGYGMSSA-N 0 3 365.478 -0.863 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCNc2ccncc2)C1 ZINC000584132730 483700253 /nfs/dbraw/zinc/70/02/53/483700253.db2.gz SCDAYGKNPVOKJB-CQSZACIVSA-N 0 3 370.479 -0.515 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NCc1nncn1-c1ccccc1 ZINC000584133926 483699392 /nfs/dbraw/zinc/69/93/92/483699392.db2.gz RIZIDLRRQKRNLX-UHFFFAOYSA-N 0 3 360.418 -0.422 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000584134704 483699431 /nfs/dbraw/zinc/69/94/31/483699431.db2.gz ZXRCAMCGRWIRTJ-CXAGYDPISA-N 0 3 366.466 -0.477 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000584134705 483699138 /nfs/dbraw/zinc/69/91/38/483699138.db2.gz ZXRCAMCGRWIRTJ-DYVFJYSZSA-N 0 3 366.466 -0.477 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000584134706 483699621 /nfs/dbraw/zinc/69/96/21/483699621.db2.gz ZXRCAMCGRWIRTJ-GUYCJALGSA-N 0 3 366.466 -0.477 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000584134707 483699284 /nfs/dbraw/zinc/69/92/84/483699284.db2.gz ZXRCAMCGRWIRTJ-SUMWQHHRSA-N 0 3 366.466 -0.477 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)NCc1ccncc1OCCN(C)C ZINC000584135096 483699399 /nfs/dbraw/zinc/69/93/99/483699399.db2.gz RHUAPBPEJOKLFN-UHFFFAOYSA-N 0 3 373.479 -0.240 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000584135701 483699182 /nfs/dbraw/zinc/69/91/82/483699182.db2.gz RUNXUYRYOXQYBR-UHFFFAOYSA-N 0 3 356.448 -0.038 20 0 FBADHN CCN1CCN(CC(=O)N(CCCOC)C2CCN(C)CC2)C(=O)C1=O ZINC000584146161 483699848 /nfs/dbraw/zinc/69/98/48/483699848.db2.gz LRJUVIUPJISZHO-UHFFFAOYSA-N 0 3 368.478 -0.364 20 0 FBADHN O=C(NCCCn1cc(CO)nn1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000584149319 483699970 /nfs/dbraw/zinc/69/99/70/483699970.db2.gz SYEZKXVZSXMURS-GOSISDBHSA-N 0 3 359.430 -0.086 20 0 FBADHN O=C(NCCCn1cc(CO)nn1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000584149320 483700065 /nfs/dbraw/zinc/70/00/65/483700065.db2.gz SYEZKXVZSXMURS-SFHVURJKSA-N 0 3 359.430 -0.086 20 0 FBADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CNC3)CC2)s1 ZINC000584162984 483700692 /nfs/dbraw/zinc/70/06/92/483700692.db2.gz KIPYNTMYKMPZCE-UHFFFAOYSA-N 0 3 352.416 -0.729 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)CCn3nc4ccccn4c3=O)C2)nn1 ZINC000584171829 483701659 /nfs/dbraw/zinc/70/16/59/483701659.db2.gz HKJYBZFRYCPEJY-AWEZNQCLSA-N 0 3 370.417 -0.200 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)CCn3nc4ccccn4c3=O)C2)nn1 ZINC000584171830 483701567 /nfs/dbraw/zinc/70/15/67/483701567.db2.gz HKJYBZFRYCPEJY-CQSZACIVSA-N 0 3 370.417 -0.200 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCc3ccccc3[C@H]2CN)CC1 ZINC000584175489 483701352 /nfs/dbraw/zinc/70/13/52/483701352.db2.gz BBXJFVKAPZFCEG-GOSISDBHSA-N 0 3 373.501 -0.223 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCc3ccccc3[C@@H]2CN)CC1 ZINC000584175490 483701377 /nfs/dbraw/zinc/70/13/77/483701377.db2.gz BBXJFVKAPZFCEG-SFHVURJKSA-N 0 3 373.501 -0.223 20 0 FBADHN COc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1-n1cnnn1 ZINC000584183538 483702142 /nfs/dbraw/zinc/70/21/42/483702142.db2.gz MSIXHNJVBABTAV-NEPJUHHUSA-N 0 3 357.374 -0.945 20 0 FBADHN COc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1-n1cnnn1 ZINC000584183539 483702354 /nfs/dbraw/zinc/70/23/54/483702354.db2.gz MSIXHNJVBABTAV-NWDGAFQWSA-N 0 3 357.374 -0.945 20 0 FBADHN COc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1-n1cnnn1 ZINC000584183540 483702375 /nfs/dbraw/zinc/70/23/75/483702375.db2.gz MSIXHNJVBABTAV-RYUDHWBXSA-N 0 3 357.374 -0.945 20 0 FBADHN COc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1-n1cnnn1 ZINC000584183541 483702112 /nfs/dbraw/zinc/70/21/12/483702112.db2.gz MSIXHNJVBABTAV-VXGBXAGGSA-N 0 3 357.374 -0.945 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2CC(C)(C)C2)cn1 ZINC000584184084 483702044 /nfs/dbraw/zinc/70/20/44/483702044.db2.gz LBMVNPHMSOAJOE-UHFFFAOYSA-N 0 3 364.450 -0.196 20 0 FBADHN CCOC1CC(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000584184094 483702168 /nfs/dbraw/zinc/70/21/68/483702168.db2.gz LMEWESSXRNNNTD-FKZOYECMSA-N 0 3 352.435 -0.922 20 0 FBADHN CCOC1CC(CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000584184095 483702242 /nfs/dbraw/zinc/70/22/42/483702242.db2.gz LMEWESSXRNNNTD-GNRIBBGQSA-N 0 3 352.435 -0.922 20 0 FBADHN CCOC1CC(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000584184096 483702103 /nfs/dbraw/zinc/70/21/03/483702103.db2.gz LMEWESSXRNNNTD-HHTDUIENSA-N 0 3 352.435 -0.922 20 0 FBADHN CCOC1CC(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000584184097 483701912 /nfs/dbraw/zinc/70/19/12/483701912.db2.gz LMEWESSXRNNNTD-YIOUJQMASA-N 0 3 352.435 -0.922 20 0 FBADHN COc1ccc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000584184250 483702175 /nfs/dbraw/zinc/70/21/75/483702175.db2.gz SMQNITKVCYBDIL-GDBMZVCRSA-N 0 3 374.441 -0.486 20 0 FBADHN COc1ccc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000584184251 483701934 /nfs/dbraw/zinc/70/19/34/483701934.db2.gz SMQNITKVCYBDIL-GOEBONIOSA-N 0 3 374.441 -0.486 20 0 FBADHN COc1ccc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000584184252 483702061 /nfs/dbraw/zinc/70/20/61/483702061.db2.gz SMQNITKVCYBDIL-HOCLYGCPSA-N 0 3 374.441 -0.486 20 0 FBADHN COc1ccc(CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000584184253 483701969 /nfs/dbraw/zinc/70/19/69/483701969.db2.gz SMQNITKVCYBDIL-ZBFHGGJFSA-N 0 3 374.441 -0.486 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000584193540 483702824 /nfs/dbraw/zinc/70/28/24/483702824.db2.gz URLFAJPIPFRLFO-KBPBESRZSA-N 0 3 369.466 -0.867 20 0 FBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000584193541 483702666 /nfs/dbraw/zinc/70/26/66/483702666.db2.gz URLFAJPIPFRLFO-KGLIPLIRSA-N 0 3 369.466 -0.867 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000584193542 483702908 /nfs/dbraw/zinc/70/29/08/483702908.db2.gz URLFAJPIPFRLFO-UONOGXRCSA-N 0 3 369.466 -0.867 20 0 FBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000584193543 483702791 /nfs/dbraw/zinc/70/27/91/483702791.db2.gz URLFAJPIPFRLFO-ZIAGYGMSSA-N 0 3 369.466 -0.867 20 0 FBADHN CC(=O)NCCN(Cc1cc(=O)n(C)c(=O)n1C)C1CCSCC1 ZINC000584219786 483702561 /nfs/dbraw/zinc/70/25/61/483702561.db2.gz GTNWOAIFEKYDRB-UHFFFAOYSA-N 0 3 354.476 -0.082 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C[C@H]2N)cn1 ZINC000584226678 483703352 /nfs/dbraw/zinc/70/33/52/483703352.db2.gz IFCVNCMNHICGDN-AALSBFMBSA-N 0 3 373.457 -0.253 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C[C@H]2N)cn1 ZINC000584226679 483703281 /nfs/dbraw/zinc/70/32/81/483703281.db2.gz IFCVNCMNHICGDN-JKJDWNRSSA-N 0 3 373.457 -0.253 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C[C@H]2N)cn1 ZINC000584226680 483703515 /nfs/dbraw/zinc/70/35/15/483703515.db2.gz IFCVNCMNHICGDN-RBZJEDDUSA-N 0 3 373.457 -0.253 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)C[C@H]2N)cn1 ZINC000584226681 483703568 /nfs/dbraw/zinc/70/35/68/483703568.db2.gz IFCVNCMNHICGDN-YIDVYQOGSA-N 0 3 373.457 -0.253 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000584226894 483703109 /nfs/dbraw/zinc/70/31/09/483703109.db2.gz UJOHDZJMZBDBMF-GUTXKFCHSA-N 0 3 357.476 -0.106 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)CNCc2cccc(S(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000584226895 483703136 /nfs/dbraw/zinc/70/31/36/483703136.db2.gz UJOHDZJMZBDBMF-NFAWXSAZSA-N 0 3 357.476 -0.106 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCc2cccc(S(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000584226896 483703413 /nfs/dbraw/zinc/70/34/13/483703413.db2.gz UJOHDZJMZBDBMF-UMVBOHGHSA-N 0 3 357.476 -0.106 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNCc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000584226897 483703153 /nfs/dbraw/zinc/70/31/53/483703153.db2.gz UJOHDZJMZBDBMF-VNHYZAJKSA-N 0 3 357.476 -0.106 20 0 FBADHN C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000584246274 483733784 /nfs/dbraw/zinc/73/37/84/483733784.db2.gz KXZQUSBGBQQIFP-GDBMZVCRSA-N 0 3 354.495 -0.110 20 0 FBADHN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000584246275 483733791 /nfs/dbraw/zinc/73/37/91/483733791.db2.gz KXZQUSBGBQQIFP-GOEBONIOSA-N 0 3 354.495 -0.110 20 0 FBADHN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000584246276 483733808 /nfs/dbraw/zinc/73/38/08/483733808.db2.gz KXZQUSBGBQQIFP-HOCLYGCPSA-N 0 3 354.495 -0.110 20 0 FBADHN C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000584246277 483733799 /nfs/dbraw/zinc/73/37/99/483733799.db2.gz KXZQUSBGBQQIFP-ZBFHGGJFSA-N 0 3 354.495 -0.110 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CC1=O ZINC000584250742 483768320 /nfs/dbraw/zinc/76/83/20/483768320.db2.gz RWBLLIXPFXGOHZ-DZGCQCFKSA-N 0 3 364.450 -0.656 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CC1=O ZINC000584250743 483768583 /nfs/dbraw/zinc/76/85/83/483768583.db2.gz RWBLLIXPFXGOHZ-HIFRSBDPSA-N 0 3 364.450 -0.656 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CC1=O ZINC000584250744 483768446 /nfs/dbraw/zinc/76/84/46/483768446.db2.gz RWBLLIXPFXGOHZ-UKRRQHHQSA-N 0 3 364.450 -0.656 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CC1=O ZINC000584250745 483768622 /nfs/dbraw/zinc/76/86/22/483768622.db2.gz RWBLLIXPFXGOHZ-ZFWWWQNUSA-N 0 3 364.450 -0.656 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000584282998 483832940 /nfs/dbraw/zinc/83/29/40/483832940.db2.gz AZXIVKWCBVAIAY-KBPBESRZSA-N 0 3 353.467 -0.116 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000584282999 483833173 /nfs/dbraw/zinc/83/31/73/483833173.db2.gz AZXIVKWCBVAIAY-KGLIPLIRSA-N 0 3 353.467 -0.116 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000584283000 483833102 /nfs/dbraw/zinc/83/31/02/483833102.db2.gz AZXIVKWCBVAIAY-UONOGXRCSA-N 0 3 353.467 -0.116 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000584283001 483833153 /nfs/dbraw/zinc/83/31/53/483833153.db2.gz AZXIVKWCBVAIAY-ZIAGYGMSSA-N 0 3 353.467 -0.116 20 0 FBADHN CCN1CCOC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000584283420 483832914 /nfs/dbraw/zinc/83/29/14/483832914.db2.gz WMFORPAZEHGBDP-UYTSQGDYSA-N 0 3 352.479 -0.093 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000584283421 483833193 /nfs/dbraw/zinc/83/31/93/483833193.db2.gz WMFORPAZEHGBDP-WTXIUTQJSA-N 0 3 352.479 -0.093 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000584286224 483833428 /nfs/dbraw/zinc/83/34/28/483833428.db2.gz UOIUBXXMWKVMQW-AWEZNQCLSA-N 0 3 369.443 -0.652 20 0 FBADHN CO[C@H](CN)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000584286225 483833431 /nfs/dbraw/zinc/83/34/31/483833431.db2.gz UOIUBXXMWKVMQW-CQSZACIVSA-N 0 3 369.443 -0.652 20 0 FBADHN COC(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c[nH]1 ZINC000584295824 483833925 /nfs/dbraw/zinc/83/39/25/483833925.db2.gz RIMQMAZWKRKWKE-UHFFFAOYSA-N 0 3 362.390 -0.072 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000584305898 483836651 /nfs/dbraw/zinc/83/66/51/483836651.db2.gz JMKVMWGZEFFHRX-CHWSQXEVSA-N 0 3 362.496 -0.627 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000584305899 483836535 /nfs/dbraw/zinc/83/65/35/483836535.db2.gz JMKVMWGZEFFHRX-OLZOCXBDSA-N 0 3 362.496 -0.627 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000584305900 483836684 /nfs/dbraw/zinc/83/66/84/483836684.db2.gz JMKVMWGZEFFHRX-QWHCGFSZSA-N 0 3 362.496 -0.627 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000584305901 483836215 /nfs/dbraw/zinc/83/62/15/483836215.db2.gz JMKVMWGZEFFHRX-STQMWFEESA-N 0 3 362.496 -0.627 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000584314654 483907281 /nfs/dbraw/zinc/90/72/81/483907281.db2.gz SDOYXDBMHCQJBA-GDBMZVCRSA-N 0 3 371.478 -0.400 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000584314655 483908130 /nfs/dbraw/zinc/90/81/30/483908130.db2.gz SDOYXDBMHCQJBA-GOEBONIOSA-N 0 3 371.478 -0.400 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000584314656 483907941 /nfs/dbraw/zinc/90/79/41/483907941.db2.gz SDOYXDBMHCQJBA-HOCLYGCPSA-N 0 3 371.478 -0.400 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000584314657 483907897 /nfs/dbraw/zinc/90/78/97/483907897.db2.gz SDOYXDBMHCQJBA-ZBFHGGJFSA-N 0 3 371.478 -0.400 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NCC1(SC)CCN(C)CC1 ZINC000584320719 484132899 /nfs/dbraw/zinc/13/28/99/484132899.db2.gz IYJSIOKNFJLTAF-UHFFFAOYSA-N 0 3 373.566 -0.328 20 0 FBADHN O=C(CNS(=O)(=O)c1cccnc1)NCCCN1CCC(O)CC1 ZINC000584322501 484397216 /nfs/dbraw/zinc/39/72/16/484397216.db2.gz TVTBVQJLJSDZOH-UHFFFAOYSA-N 0 3 356.448 -0.677 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332878 483439025 /nfs/dbraw/zinc/43/90/25/483439025.db2.gz OVTROEZWVSAPDO-DZUCGIPZSA-N 0 3 370.453 -0.030 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332879 483438975 /nfs/dbraw/zinc/43/89/75/483438975.db2.gz OVTROEZWVSAPDO-PQEBFOHHSA-N 0 3 370.453 -0.030 20 0 FBADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332880 483438298 /nfs/dbraw/zinc/43/82/98/483438298.db2.gz OVTROEZWVSAPDO-QSPRXWTASA-N 0 3 370.453 -0.030 20 0 FBADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332881 483438774 /nfs/dbraw/zinc/43/87/74/483438774.db2.gz OVTROEZWVSAPDO-XBVQOTNRSA-N 0 3 370.453 -0.030 20 0 FBADHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000584335590 483751838 /nfs/dbraw/zinc/75/18/38/483751838.db2.gz OWEHIBBOEMNUPS-GFCCVEGCSA-N 0 3 362.434 -0.625 20 0 FBADHN CC(C)N1CC[C@H](N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000584335591 483751886 /nfs/dbraw/zinc/75/18/86/483751886.db2.gz OWEHIBBOEMNUPS-LBPRGKRZSA-N 0 3 362.434 -0.625 20 0 FBADHN Cc1cc(CN2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)no1 ZINC000584337065 484237918 /nfs/dbraw/zinc/23/79/18/484237918.db2.gz ZOTDEOXATIKQBF-ZBFHGGJFSA-N 0 3 361.446 -0.210 20 0 FBADHN Cn1cc(CN2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)cn1 ZINC000584337093 484237863 /nfs/dbraw/zinc/23/78/63/484237863.db2.gz JPDCYCUEOZCEAC-CVEARBPZSA-N 0 3 360.462 -0.773 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000584337204 484239700 /nfs/dbraw/zinc/23/97/00/484239700.db2.gz BVUGSBLNMMPKEW-CYBMUJFWSA-N 0 3 362.496 -0.675 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C(C)C)C1 ZINC000584337205 484239276 /nfs/dbraw/zinc/23/92/76/484239276.db2.gz BVUGSBLNMMPKEW-ZDUSSCGKSA-N 0 3 362.496 -0.675 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000584341559 484263868 /nfs/dbraw/zinc/26/38/68/484263868.db2.gz ZFWYVWLKUTZDCQ-APIJFGDWSA-N 0 3 368.478 -0.605 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@H]1N1CCOCC1 ZINC000584341560 484265011 /nfs/dbraw/zinc/26/50/11/484265011.db2.gz ZFWYVWLKUTZDCQ-CBBWQLFWSA-N 0 3 368.478 -0.605 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000584341561 484264959 /nfs/dbraw/zinc/26/49/59/484264959.db2.gz ZFWYVWLKUTZDCQ-KBXIAJHMSA-N 0 3 368.478 -0.605 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000584341562 484263907 /nfs/dbraw/zinc/26/39/07/484263907.db2.gz ZFWYVWLKUTZDCQ-QPSCCSFWSA-N 0 3 368.478 -0.605 20 0 FBADHN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@@H]1CNCCO1 ZINC000584345929 484108947 /nfs/dbraw/zinc/10/89/47/484108947.db2.gz JEWJEWFIAYJGHE-AWEZNQCLSA-N 0 3 364.446 -0.292 20 0 FBADHN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@H]1CNCCO1 ZINC000584345930 484109782 /nfs/dbraw/zinc/10/97/82/484109782.db2.gz JEWJEWFIAYJGHE-CQSZACIVSA-N 0 3 364.446 -0.292 20 0 FBADHN C[C@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@H](N)c1ccccc1 ZINC000584350053 484282555 /nfs/dbraw/zinc/28/25/55/484282555.db2.gz KGOJPMHUFNKENN-BBRMVZONSA-N 0 3 366.487 -0.232 20 0 FBADHN C[C@@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@H](N)c1ccccc1 ZINC000584350054 484283324 /nfs/dbraw/zinc/28/33/24/484283324.db2.gz KGOJPMHUFNKENN-CJNGLKHVSA-N 0 3 366.487 -0.232 20 0 FBADHN C[C@@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@@H](N)c1ccccc1 ZINC000584350055 484282470 /nfs/dbraw/zinc/28/24/70/484282470.db2.gz KGOJPMHUFNKENN-CZUORRHYSA-N 0 3 366.487 -0.232 20 0 FBADHN C[C@H](C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@@H](N)c1ccccc1 ZINC000584350056 484282940 /nfs/dbraw/zinc/28/29/40/484282940.db2.gz KGOJPMHUFNKENN-XJKSGUPXSA-N 0 3 366.487 -0.232 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@H]2C[C@H](O)C2(C)C)CC1 ZINC000584359158 484473682 /nfs/dbraw/zinc/47/36/82/484473682.db2.gz SZJDXOQZVUPECT-KBPBESRZSA-N 0 3 373.461 -0.239 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000584359159 484474253 /nfs/dbraw/zinc/47/42/53/484474253.db2.gz SZJDXOQZVUPECT-KGLIPLIRSA-N 0 3 373.461 -0.239 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000584359160 484474309 /nfs/dbraw/zinc/47/43/09/484474309.db2.gz SZJDXOQZVUPECT-UONOGXRCSA-N 0 3 373.461 -0.239 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000584359161 484473666 /nfs/dbraw/zinc/47/36/66/484473666.db2.gz SZJDXOQZVUPECT-ZIAGYGMSSA-N 0 3 373.461 -0.239 20 0 FBADHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C2=O ZINC000584360794 484473941 /nfs/dbraw/zinc/47/39/41/484473941.db2.gz RPDLMHXBPRHOPN-MQYQWHSLSA-N 0 3 366.462 -0.134 20 0 FBADHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C2=O ZINC000584360795 484474043 /nfs/dbraw/zinc/47/40/43/484474043.db2.gz RPDLMHXBPRHOPN-WIGWEZOPSA-N 0 3 366.462 -0.134 20 0 FBADHN C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C2=O ZINC000584360796 484473871 /nfs/dbraw/zinc/47/38/71/484473871.db2.gz RPDLMHXBPRHOPN-XUXIUFHCSA-N 0 3 366.462 -0.134 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000584367823 484511207 /nfs/dbraw/zinc/51/12/07/484511207.db2.gz JQBSOKQYMCSWDK-AWEZNQCLSA-N 0 3 367.494 -0.615 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000584367824 484510605 /nfs/dbraw/zinc/51/06/05/484510605.db2.gz JQBSOKQYMCSWDK-CQSZACIVSA-N 0 3 367.494 -0.615 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)c1 ZINC000584396631 484545443 /nfs/dbraw/zinc/54/54/43/484545443.db2.gz FGXKHRXSYWENQE-GOEBONIOSA-N 0 3 373.457 -0.099 20 0 FBADHN Cn1cc(CN2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)cn1 ZINC000584396656 484544868 /nfs/dbraw/zinc/54/48/68/484544868.db2.gz JCBDLHBDIXSDIY-KRWDZBQOSA-N 0 3 374.489 -0.239 20 0 FBADHN Cn1cc(CN2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)cn1 ZINC000584396657 484544956 /nfs/dbraw/zinc/54/49/56/484544956.db2.gz JCBDLHBDIXSDIY-QGZVFWFLSA-N 0 3 374.489 -0.239 20 0 FBADHN CN1CCC(CNC(=O)N2CCN(C)C(=O)C2)(N2CCOCC2)CC1 ZINC000584397630 484545317 /nfs/dbraw/zinc/54/53/17/484545317.db2.gz CECALAGCVCSBHQ-UHFFFAOYSA-N 0 3 353.467 -0.733 20 0 FBADHN CC(C)C[C@@H](CNC(=O)NCC(=O)N1CCNCC1)N1CCOCC1 ZINC000584399559 484547174 /nfs/dbraw/zinc/54/71/74/484547174.db2.gz TYNUZLYLDZPKGP-HNNXBMFYSA-N 0 3 355.483 -0.536 20 0 FBADHN CC(C)C[C@H](CNC(=O)NCC(=O)N1CCNCC1)N1CCOCC1 ZINC000584399560 484546697 /nfs/dbraw/zinc/54/66/97/484546697.db2.gz TYNUZLYLDZPKGP-OAHLLOKOSA-N 0 3 355.483 -0.536 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CN1Cc1ccccc1 ZINC000584400795 484547159 /nfs/dbraw/zinc/54/71/59/484547159.db2.gz CBRUKGCRJCIRNN-BPQIPLTHSA-N 0 3 373.501 -0.133 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CN1Cc1ccccc1 ZINC000584400796 484546671 /nfs/dbraw/zinc/54/66/71/484546671.db2.gz CBRUKGCRJCIRNN-KBAYOESNSA-N 0 3 373.501 -0.133 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CN1Cc1ccccc1 ZINC000584400797 484546854 /nfs/dbraw/zinc/54/68/54/484546854.db2.gz CBRUKGCRJCIRNN-NJAFHUGGSA-N 0 3 373.501 -0.133 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CN1Cc1ccccc1 ZINC000584400798 484546729 /nfs/dbraw/zinc/54/67/29/484546729.db2.gz CBRUKGCRJCIRNN-NXHRZFHOSA-N 0 3 373.501 -0.133 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000584402759 484547205 /nfs/dbraw/zinc/54/72/05/484547205.db2.gz RMNXBOOZUMYALD-UHFFFAOYSA-N 0 3 354.451 -0.706 20 0 FBADHN CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@@H](CN)C1 ZINC000584408205 484547386 /nfs/dbraw/zinc/54/73/86/484547386.db2.gz AMQJMBKRMSGDGF-AWEZNQCLSA-N 0 3 368.459 -0.904 20 0 FBADHN CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@H](CN)C1 ZINC000584408206 484546640 /nfs/dbraw/zinc/54/66/40/484546640.db2.gz AMQJMBKRMSGDGF-CQSZACIVSA-N 0 3 368.459 -0.904 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)NCCn2cccn2)CC1 ZINC000584416388 484549214 /nfs/dbraw/zinc/54/92/14/484549214.db2.gz BHHWGWROMUQLSH-UHFFFAOYSA-N 0 3 350.467 -0.467 20 0 FBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CN1CCC(C)(C)C1 ZINC000584420716 484549012 /nfs/dbraw/zinc/54/90/12/484549012.db2.gz RPRDQVDJGCLOII-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000584422463 484548023 /nfs/dbraw/zinc/54/80/23/484548023.db2.gz XXGYDEWZYZSEHR-GWCFXTLKSA-N 0 3 373.456 -0.977 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000584422464 484548264 /nfs/dbraw/zinc/54/82/64/484548264.db2.gz XXGYDEWZYZSEHR-GXFFZTMASA-N 0 3 373.456 -0.977 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000584422465 484548697 /nfs/dbraw/zinc/54/86/97/484548697.db2.gz XXGYDEWZYZSEHR-MFKMUULPSA-N 0 3 373.456 -0.977 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000584422466 484549243 /nfs/dbraw/zinc/54/92/43/484549243.db2.gz XXGYDEWZYZSEHR-ZWNOBZJWSA-N 0 3 373.456 -0.977 20 0 FBADHN CCOCCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000584425067 484548137 /nfs/dbraw/zinc/54/81/37/484548137.db2.gz GCKHNJDJUOGATG-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CCOCCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000584425068 484548361 /nfs/dbraw/zinc/54/83/61/484548361.db2.gz GCKHNJDJUOGATG-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CCOCC1CC1)CN1CCN(C)CC1 ZINC000584425087 484548113 /nfs/dbraw/zinc/54/81/13/484548113.db2.gz HEBYKNCPAWJZJV-HNNXBMFYSA-N 0 3 354.495 -0.129 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)CCOCC1CC1)CN1CCN(C)CC1 ZINC000584425088 484548674 /nfs/dbraw/zinc/54/86/74/484548674.db2.gz HEBYKNCPAWJZJV-OAHLLOKOSA-N 0 3 354.495 -0.129 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCCN2CCCO[C@@H](C)C2)n1 ZINC000584427912 484548232 /nfs/dbraw/zinc/54/82/32/484548232.db2.gz WLRPCPRCGPWNEV-AWEZNQCLSA-N 0 3 367.498 -0.725 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000584427912 484548223 /nfs/dbraw/zinc/54/82/23/484548223.db2.gz WLRPCPRCGPWNEV-AWEZNQCLSA-N 0 3 367.498 -0.725 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCCN2CCCO[C@H](C)C2)n1 ZINC000584427913 484548472 /nfs/dbraw/zinc/54/84/72/484548472.db2.gz WLRPCPRCGPWNEV-CQSZACIVSA-N 0 3 367.498 -0.725 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000584427913 484548454 /nfs/dbraw/zinc/54/84/54/484548454.db2.gz WLRPCPRCGPWNEV-CQSZACIVSA-N 0 3 367.498 -0.725 20 0 FBADHN C[C@H](O)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000584446663 484574754 /nfs/dbraw/zinc/57/47/54/484574754.db2.gz MZEZORUATUPDOO-NSHDSACASA-N 0 3 364.402 -0.018 20 0 FBADHN CN1CC[C@](O)(CNC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000584454975 484576178 /nfs/dbraw/zinc/57/61/78/484576178.db2.gz ANTJQDBAVDYTFO-AWEZNQCLSA-N 0 3 373.251 -0.023 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000584454976 484575530 /nfs/dbraw/zinc/57/55/30/484575530.db2.gz ANTJQDBAVDYTFO-CQSZACIVSA-N 0 3 373.251 -0.023 20 0 FBADHN CCN1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000584456718 484576828 /nfs/dbraw/zinc/57/68/28/484576828.db2.gz ILHCPTIRHIMDQI-AWEZNQCLSA-N 0 3 351.451 -0.443 20 0 FBADHN CCN1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000584456719 484577254 /nfs/dbraw/zinc/57/72/54/484577254.db2.gz ILHCPTIRHIMDQI-CQSZACIVSA-N 0 3 351.451 -0.443 20 0 FBADHN CN1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](CN)C1 ZINC000584470468 484578659 /nfs/dbraw/zinc/57/86/59/484578659.db2.gz AFXTVGUQFKDQIO-ABHRYQDASA-N 0 3 355.508 -0.187 20 0 FBADHN CN1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@H](CN)C1 ZINC000584470469 484579682 /nfs/dbraw/zinc/57/96/82/484579682.db2.gz AFXTVGUQFKDQIO-OSFYFWSMSA-N 0 3 355.508 -0.187 20 0 FBADHN CN1CCN(Cc2ccc(C(=O)NCC(=O)N3CCNCC3)cc2)CC1 ZINC000584472561 484579848 /nfs/dbraw/zinc/57/98/48/484579848.db2.gz UODNHOAWGBHAAC-UHFFFAOYSA-N 0 3 359.474 -0.404 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000584476507 484579813 /nfs/dbraw/zinc/57/98/13/484579813.db2.gz OGBXOTOIKRATDD-UHFFFAOYSA-N 0 3 360.418 -0.305 20 0 FBADHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000584480791 484581427 /nfs/dbraw/zinc/58/14/27/484581427.db2.gz OGLLBFTVLPNYTM-AWEZNQCLSA-N 0 3 364.489 -0.178 20 0 FBADHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000584480792 484581344 /nfs/dbraw/zinc/58/13/44/484581344.db2.gz OGLLBFTVLPNYTM-CQSZACIVSA-N 0 3 364.489 -0.178 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000584481145 484580426 /nfs/dbraw/zinc/58/04/26/484580426.db2.gz BZIBPYXEYOQAIP-CABCVRRESA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000584481146 484580364 /nfs/dbraw/zinc/58/03/64/484580364.db2.gz BZIBPYXEYOQAIP-GJZGRUSLSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000584481147 484580345 /nfs/dbraw/zinc/58/03/45/484580345.db2.gz BZIBPYXEYOQAIP-HUUCEWRRSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000584481148 484580881 /nfs/dbraw/zinc/58/08/81/484580881.db2.gz BZIBPYXEYOQAIP-LSDHHAIUSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCC3)CCN2C1=O ZINC000584481246 484580440 /nfs/dbraw/zinc/58/04/40/484580440.db2.gz GSOZNDFYKYDNFV-CVEARBPZSA-N 0 3 370.453 -0.005 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCC3)CCN2C1=O ZINC000584481247 484581417 /nfs/dbraw/zinc/58/14/17/484581417.db2.gz GSOZNDFYKYDNFV-HOTGVXAUSA-N 0 3 370.453 -0.005 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCC3)CCN2C1=O ZINC000584481248 484580378 /nfs/dbraw/zinc/58/03/78/484580378.db2.gz GSOZNDFYKYDNFV-HZPDHXFCSA-N 0 3 370.453 -0.005 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCC3)CCN2C1=O ZINC000584481249 484581284 /nfs/dbraw/zinc/58/12/84/484581284.db2.gz GSOZNDFYKYDNFV-JKSUJKDBSA-N 0 3 370.453 -0.005 20 0 FBADHN Cc1cccc(C)c1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584481672 484581001 /nfs/dbraw/zinc/58/10/01/484581001.db2.gz ZCLLFULDXZPUEM-CABCVRRESA-N 0 3 374.441 -0.431 20 0 FBADHN Cc1cccc(C)c1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584481673 484581156 /nfs/dbraw/zinc/58/11/56/484581156.db2.gz ZCLLFULDXZPUEM-GJZGRUSLSA-N 0 3 374.441 -0.431 20 0 FBADHN Cc1cccc(C)c1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584481674 484581300 /nfs/dbraw/zinc/58/13/00/484581300.db2.gz ZCLLFULDXZPUEM-HUUCEWRRSA-N 0 3 374.441 -0.431 20 0 FBADHN Cc1cccc(C)c1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584481675 484581112 /nfs/dbraw/zinc/58/11/12/484581112.db2.gz ZCLLFULDXZPUEM-LSDHHAIUSA-N 0 3 374.441 -0.431 20 0 FBADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584481676 484581329 /nfs/dbraw/zinc/58/13/29/484581329.db2.gz ZDUYJOOTFPNQOT-AAVRWANBSA-N 0 3 352.435 -0.779 20 0 FBADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584481677 484581261 /nfs/dbraw/zinc/58/12/61/484581261.db2.gz ZDUYJOOTFPNQOT-IGQOVBAYSA-N 0 3 352.435 -0.779 20 0 FBADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584481678 484580469 /nfs/dbraw/zinc/58/04/69/484580469.db2.gz ZDUYJOOTFPNQOT-REWJHTLYSA-N 0 3 352.435 -0.779 20 0 FBADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584481679 484581385 /nfs/dbraw/zinc/58/13/85/484581385.db2.gz ZDUYJOOTFPNQOT-XJFOESAGSA-N 0 3 352.435 -0.779 20 0 FBADHN COC(=O)c1cc(CNc2nc(NCCO)nc(NC(C)C)n2)oc1C ZINC000584486492 484582386 /nfs/dbraw/zinc/58/23/86/484582386.db2.gz HDWGKCJWKTVOGG-UHFFFAOYSA-N 0 3 364.406 -0.338 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCO1 ZINC000584496378 484582788 /nfs/dbraw/zinc/58/27/88/484582788.db2.gz AYCNMOIJRUCMAF-BARDWOONSA-N 0 3 351.447 -0.151 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCO1 ZINC000584496379 484582461 /nfs/dbraw/zinc/58/24/61/484582461.db2.gz AYCNMOIJRUCMAF-KBUPBQIOSA-N 0 3 351.447 -0.151 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCO1 ZINC000584496380 484582292 /nfs/dbraw/zinc/58/22/92/484582292.db2.gz AYCNMOIJRUCMAF-LXTVHRRPSA-N 0 3 351.447 -0.151 20 0 FBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCO1 ZINC000584496381 484582770 /nfs/dbraw/zinc/58/27/70/484582770.db2.gz AYCNMOIJRUCMAF-TUVASFSCSA-N 0 3 351.447 -0.151 20 0 FBADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000584520030 484585976 /nfs/dbraw/zinc/58/59/76/484585976.db2.gz NHCMWLCTLOYQJD-ILXRZTDVSA-N 0 3 367.494 -0.713 20 0 FBADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000584520031 484585521 /nfs/dbraw/zinc/58/55/21/484585521.db2.gz NHCMWLCTLOYQJD-KFWWJZLASA-N 0 3 367.494 -0.713 20 0 FBADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000584520032 484585276 /nfs/dbraw/zinc/58/52/76/484585276.db2.gz NHCMWLCTLOYQJD-QLFBSQMISA-N 0 3 367.494 -0.713 20 0 FBADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000584520033 484585397 /nfs/dbraw/zinc/58/53/97/484585397.db2.gz NHCMWLCTLOYQJD-RBSFLKMASA-N 0 3 367.494 -0.713 20 0 FBADHN CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000584520994 484585884 /nfs/dbraw/zinc/58/58/84/484585884.db2.gz ZFIMVOCFRFBATI-GJZGRUSLSA-N 0 3 355.460 -0.339 20 0 FBADHN CC(=O)Nc1ccc(OC[C@@H](O)CNCCS(=O)(=O)N(C)C)cc1 ZINC000584525623 484587999 /nfs/dbraw/zinc/58/79/99/484587999.db2.gz TYDUYOOLXBJVFR-AWEZNQCLSA-N 0 3 359.448 -0.134 20 0 FBADHN CC(=O)Nc1ccc(OC[C@H](O)CNCCS(=O)(=O)N(C)C)cc1 ZINC000584525624 484587853 /nfs/dbraw/zinc/58/78/53/484587853.db2.gz TYDUYOOLXBJVFR-CQSZACIVSA-N 0 3 359.448 -0.134 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2)cc1 ZINC000584527421 484587159 /nfs/dbraw/zinc/58/71/59/484587159.db2.gz LNHZSOFUINUGPA-CVEARBPZSA-N 0 3 366.487 -0.235 20 0 FBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](N)CCC(=O)OC)CC2 ZINC000584530455 484587582 /nfs/dbraw/zinc/58/75/82/484587582.db2.gz NNHHPWOATDDACG-GFCCVEGCSA-N 0 3 355.416 -0.236 20 0 FBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](N)CCC(=O)OC)CC2 ZINC000584530456 484587727 /nfs/dbraw/zinc/58/77/27/484587727.db2.gz NNHHPWOATDDACG-LBPRGKRZSA-N 0 3 355.416 -0.236 20 0 FBADHN CSC1(CNC(=O)CN(C)S(=O)(=O)N(C)C)CCN(C)CC1 ZINC000584534163 484587809 /nfs/dbraw/zinc/58/78/09/484587809.db2.gz DMUVODDGDBYZPG-UHFFFAOYSA-N 0 3 352.526 -0.332 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000584538374 484588549 /nfs/dbraw/zinc/58/85/49/484588549.db2.gz NSXJCINFJHLSPW-GOEBONIOSA-N 0 3 353.467 -0.495 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000584538375 484589192 /nfs/dbraw/zinc/58/91/92/484589192.db2.gz NSXJCINFJHLSPW-HOCLYGCPSA-N 0 3 353.467 -0.495 20 0 FBADHN CN(C)[C@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)C[C@@H]1O ZINC000584538728 484588767 /nfs/dbraw/zinc/58/87/67/484588767.db2.gz ZQJCNOMHQPCDNP-HOTGVXAUSA-N 0 3 352.504 -0.001 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc(N(C)C)cn2)CC1=O ZINC000584539892 484588674 /nfs/dbraw/zinc/58/86/74/484588674.db2.gz HJWUVLHFMKIHLQ-CYBMUJFWSA-N 0 3 364.450 -0.549 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)CC1=O ZINC000584539893 484589274 /nfs/dbraw/zinc/58/92/74/484589274.db2.gz HJWUVLHFMKIHLQ-ZDUSSCGKSA-N 0 3 364.450 -0.549 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CCN2C1=O ZINC000584540614 484588800 /nfs/dbraw/zinc/58/88/00/484588800.db2.gz GCJQCFYBILFBDD-PSASIEDQSA-N 0 3 367.353 -0.622 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CCN2C1=O ZINC000584540615 484589483 /nfs/dbraw/zinc/58/94/83/484589483.db2.gz GCJQCFYBILFBDD-SCZZXKLOSA-N 0 3 367.353 -0.622 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CCN2C1=O ZINC000584540616 484589294 /nfs/dbraw/zinc/58/92/94/484589294.db2.gz GCJQCFYBILFBDD-WCBMZHEXSA-N 0 3 367.353 -0.622 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CCN2C1=O ZINC000584540617 484589003 /nfs/dbraw/zinc/58/90/03/484589003.db2.gz GCJQCFYBILFBDD-WPRPVWTQSA-N 0 3 367.353 -0.622 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCOc3ccccc3)CCN2C1=O ZINC000584541646 484588945 /nfs/dbraw/zinc/58/89/45/484588945.db2.gz RVEXDTJIKLBNDL-DZGCQCFKSA-N 0 3 360.414 -0.658 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCOc3ccccc3)CCN2C1=O ZINC000584541647 484589131 /nfs/dbraw/zinc/58/91/31/484589131.db2.gz RVEXDTJIKLBNDL-HIFRSBDPSA-N 0 3 360.414 -0.658 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCOc3ccccc3)CCN2C1=O ZINC000584541648 484589204 /nfs/dbraw/zinc/58/92/04/484589204.db2.gz RVEXDTJIKLBNDL-UKRRQHHQSA-N 0 3 360.414 -0.658 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCOc3ccccc3)CCN2C1=O ZINC000584541649 484588868 /nfs/dbraw/zinc/58/88/68/484588868.db2.gz RVEXDTJIKLBNDL-ZFWWWQNUSA-N 0 3 360.414 -0.658 20 0 FBADHN CNC(=O)Cn1[nH]c(=NC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1C ZINC000584565354 484591691 /nfs/dbraw/zinc/59/16/91/484591691.db2.gz VSSGCEYFJXTXPE-UHFFFAOYSA-N 0 3 374.449 -0.111 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCOCC2)CC1 ZINC000584575835 484592767 /nfs/dbraw/zinc/59/27/67/484592767.db2.gz CGSWOTNHSWMJQZ-AWEZNQCLSA-N 0 3 352.435 -1.000 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCOCC2)CC1 ZINC000584575836 484593989 /nfs/dbraw/zinc/59/39/89/484593989.db2.gz CGSWOTNHSWMJQZ-CQSZACIVSA-N 0 3 352.435 -1.000 20 0 FBADHN CC(C)OC(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000584584869 484596301 /nfs/dbraw/zinc/59/63/01/484596301.db2.gz DLQOKWWLKGODQK-CABCVRRESA-N 0 3 368.478 -0.332 20 0 FBADHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000584584870 484596955 /nfs/dbraw/zinc/59/69/55/484596955.db2.gz DLQOKWWLKGODQK-GJZGRUSLSA-N 0 3 368.478 -0.332 20 0 FBADHN CC(C)OC(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000584584871 484596219 /nfs/dbraw/zinc/59/62/19/484596219.db2.gz DLQOKWWLKGODQK-HUUCEWRRSA-N 0 3 368.478 -0.332 20 0 FBADHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000584584872 484596083 /nfs/dbraw/zinc/59/60/83/484596083.db2.gz DLQOKWWLKGODQK-LSDHHAIUSA-N 0 3 368.478 -0.332 20 0 FBADHN C[C@@H]1CSCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000584585657 484596834 /nfs/dbraw/zinc/59/68/34/484596834.db2.gz PUAAWXQMCAYLSG-FPMFFAJLSA-N 0 3 351.476 -0.115 20 0 FBADHN C[C@H]1CSCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000584585658 484596874 /nfs/dbraw/zinc/59/68/74/484596874.db2.gz PUAAWXQMCAYLSG-KWCYVHTRSA-N 0 3 351.476 -0.115 20 0 FBADHN COc1ccnc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000584587686 484596896 /nfs/dbraw/zinc/59/68/96/484596896.db2.gz VRYPBFBAOILGDK-CYBMUJFWSA-N 0 3 362.434 -0.067 20 0 FBADHN COc1ccnc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000584587687 484596163 /nfs/dbraw/zinc/59/61/63/484596163.db2.gz VRYPBFBAOILGDK-ZDUSSCGKSA-N 0 3 362.434 -0.067 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc(F)c1F ZINC000584666721 484600907 /nfs/dbraw/zinc/60/09/07/484600907.db2.gz NVEPFOZFOZFXII-CWSCBRNRSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc(F)c1F ZINC000584666722 484600562 /nfs/dbraw/zinc/60/05/62/484600562.db2.gz NVEPFOZFOZFXII-KWBADKCTSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc(F)c1F ZINC000584666723 484600120 /nfs/dbraw/zinc/60/01/20/484600120.db2.gz NVEPFOZFOZFXII-OPQQBVKSSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc(F)c1F ZINC000584666724 484601035 /nfs/dbraw/zinc/60/10/35/484601035.db2.gz NVEPFOZFOZFXII-OUJBWJOFSA-N 0 3 366.368 -0.088 20 0 FBADHN NS(=O)(=O)C1(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000584671631 484600468 /nfs/dbraw/zinc/60/04/68/484600468.db2.gz CLZUJLDRTIAYJW-AWEZNQCLSA-N 0 3 353.444 -0.310 20 0 FBADHN NS(=O)(=O)C1(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000584671632 484600978 /nfs/dbraw/zinc/60/09/78/484600978.db2.gz CLZUJLDRTIAYJW-CQSZACIVSA-N 0 3 353.444 -0.310 20 0 FBADHN C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000584677052 484601953 /nfs/dbraw/zinc/60/19/53/484601953.db2.gz KCBNKCZOPDOGES-UOXLDJKESA-N 0 3 370.475 -0.479 20 0 FBADHN C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000584677053 484602650 /nfs/dbraw/zinc/60/26/50/484602650.db2.gz KCBNKCZOPDOGES-VDBVYFBLSA-N 0 3 370.475 -0.479 20 0 FBADHN C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000584677054 484602747 /nfs/dbraw/zinc/60/27/47/484602747.db2.gz KCBNKCZOPDOGES-XELLLNAOSA-N 0 3 370.475 -0.479 20 0 FBADHN C[C@H](C[S@](C)=O)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000584677055 484602705 /nfs/dbraw/zinc/60/27/05/484602705.db2.gz KCBNKCZOPDOGES-YDBLSZJJSA-N 0 3 370.475 -0.479 20 0 FBADHN COc1nnccc1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000584684643 484601878 /nfs/dbraw/zinc/60/18/78/484601878.db2.gz PSQMOSHMTGSKAZ-UHFFFAOYSA-N 0 3 352.439 -0.003 20 0 FBADHN COCc1noc(CN2CCN(C(=O)C[C@@H]3CSCCN3)CC2)n1 ZINC000584719063 484603944 /nfs/dbraw/zinc/60/39/44/484603944.db2.gz LKOZTVPEUADVBB-GFCCVEGCSA-N 0 3 355.464 -0.045 20 0 FBADHN COCc1noc(CN2CCN(C(=O)C[C@H]3CSCCN3)CC2)n1 ZINC000584719064 484603922 /nfs/dbraw/zinc/60/39/22/484603922.db2.gz LKOZTVPEUADVBB-LBPRGKRZSA-N 0 3 355.464 -0.045 20 0 FBADHN CN1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)[C@H](CN)C1 ZINC000584723558 484606501 /nfs/dbraw/zinc/60/65/01/484606501.db2.gz ZHWUMFFSGBHLGK-GFCCVEGCSA-N 0 3 358.402 -0.453 20 0 FBADHN CN1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)[C@@H](CN)C1 ZINC000584723563 484606591 /nfs/dbraw/zinc/60/65/91/484606591.db2.gz ZHWUMFFSGBHLGK-LBPRGKRZSA-N 0 3 358.402 -0.453 20 0 FBADHN CCn1c2ccccc2n(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1=O ZINC000584730662 484606214 /nfs/dbraw/zinc/60/62/14/484606214.db2.gz BHSIINQHEYUNTD-CHWSQXEVSA-N 0 3 357.414 -0.407 20 0 FBADHN CCn1c2ccccc2n(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1=O ZINC000584730663 484606338 /nfs/dbraw/zinc/60/63/38/484606338.db2.gz BHSIINQHEYUNTD-OLZOCXBDSA-N 0 3 357.414 -0.407 20 0 FBADHN CCn1c2ccccc2n(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1=O ZINC000584730664 484605905 /nfs/dbraw/zinc/60/59/05/484605905.db2.gz BHSIINQHEYUNTD-QWHCGFSZSA-N 0 3 357.414 -0.407 20 0 FBADHN CCn1c2ccccc2n(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1=O ZINC000584730665 484606733 /nfs/dbraw/zinc/60/67/33/484606733.db2.gz BHSIINQHEYUNTD-STQMWFEESA-N 0 3 357.414 -0.407 20 0 FBADHN CN(C(=O)C(=O)NCCCCN1CCOCC1)[C@H]1CCN(C2CC2)C1 ZINC000584734734 484605434 /nfs/dbraw/zinc/60/54/34/484605434.db2.gz AWIWDPPRSKTXCV-INIZCTEOSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(C(=O)C(=O)NCCCCN1CCOCC1)[C@@H]1CCN(C2CC2)C1 ZINC000584734735 484604982 /nfs/dbraw/zinc/60/49/82/484604982.db2.gz AWIWDPPRSKTXCV-MRXNPFEDSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000584768804 484608215 /nfs/dbraw/zinc/60/82/15/484608215.db2.gz ZOQVJESENRQRGD-KBPBESRZSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCCO1 ZINC000584768805 484607425 /nfs/dbraw/zinc/60/74/25/484607425.db2.gz ZOQVJESENRQRGD-KGLIPLIRSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000584768806 484607236 /nfs/dbraw/zinc/60/72/36/484607236.db2.gz ZOQVJESENRQRGD-UONOGXRCSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCCO1 ZINC000584768807 484608044 /nfs/dbraw/zinc/60/80/44/484608044.db2.gz ZOQVJESENRQRGD-ZIAGYGMSSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000584777222 484608257 /nfs/dbraw/zinc/60/82/57/484608257.db2.gz PZUAJNCWSQFVFG-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000584777223 484607706 /nfs/dbraw/zinc/60/77/06/484607706.db2.gz PZUAJNCWSQFVFG-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN O=C(CCCS(=O)(=O)N1CCCC1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000584779111 484608168 /nfs/dbraw/zinc/60/81/68/484608168.db2.gz RZZYZKJQODBEDG-UHFFFAOYSA-N 0 3 371.467 -0.641 20 0 FBADHN CS(=O)(=O)C1(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000584782093 484607929 /nfs/dbraw/zinc/60/79/29/484607929.db2.gz VYBPMQWUWJJXQH-AWEZNQCLSA-N 0 3 365.455 -0.236 20 0 FBADHN CS(=O)(=O)C1(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000584782094 484607188 /nfs/dbraw/zinc/60/71/88/484607188.db2.gz VYBPMQWUWJJXQH-CQSZACIVSA-N 0 3 365.455 -0.236 20 0 FBADHN CC(C)CCn1nccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584792780 484609239 /nfs/dbraw/zinc/60/92/39/484609239.db2.gz QFMSVUSASGYIMA-CHWSQXEVSA-N 0 3 362.434 -0.362 20 0 FBADHN CC(C)CCn1nccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584792781 484609065 /nfs/dbraw/zinc/60/90/65/484609065.db2.gz QFMSVUSASGYIMA-OLZOCXBDSA-N 0 3 362.434 -0.362 20 0 FBADHN CC(C)CCn1nccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584792783 484609298 /nfs/dbraw/zinc/60/92/98/484609298.db2.gz QFMSVUSASGYIMA-QWHCGFSZSA-N 0 3 362.434 -0.362 20 0 FBADHN CC(C)CCn1nccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584792784 484609339 /nfs/dbraw/zinc/60/93/39/484609339.db2.gz QFMSVUSASGYIMA-STQMWFEESA-N 0 3 362.434 -0.362 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000584793120 484609418 /nfs/dbraw/zinc/60/94/18/484609418.db2.gz CBJUSQYVXXNJBR-UHFFFAOYSA-N 0 3 358.402 -0.248 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C1=CCN(C)CC1 ZINC000584806736 484609581 /nfs/dbraw/zinc/60/95/81/484609581.db2.gz GACVPAGIMGKSPI-GXTWGEPZSA-N 0 3 357.476 -0.211 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1)C1=CCN(C)CC1 ZINC000584806737 484609017 /nfs/dbraw/zinc/60/90/17/484609017.db2.gz GACVPAGIMGKSPI-JSGCOSHPSA-N 0 3 357.476 -0.211 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1)C1=CCN(C)CC1 ZINC000584806738 484609635 /nfs/dbraw/zinc/60/96/35/484609635.db2.gz GACVPAGIMGKSPI-OCCSQVGLSA-N 0 3 357.476 -0.211 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C1=CCN(C)CC1 ZINC000584806739 484609564 /nfs/dbraw/zinc/60/95/64/484609564.db2.gz GACVPAGIMGKSPI-TZMCWYRMSA-N 0 3 357.476 -0.211 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC(CN2CCOCC2)CC1 ZINC000584825133 484610822 /nfs/dbraw/zinc/61/08/22/484610822.db2.gz DAAOSIMFMSRHHR-KRWDZBQOSA-N 0 3 364.490 -0.136 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC(CN2CCOCC2)CC1 ZINC000584825142 484610428 /nfs/dbraw/zinc/61/04/28/484610428.db2.gz DAAOSIMFMSRHHR-QGZVFWFLSA-N 0 3 364.490 -0.136 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000584825611 484610193 /nfs/dbraw/zinc/61/01/93/484610193.db2.gz XZQGVYCBMTUTJZ-FXUDXRNXSA-N 0 3 350.463 -0.387 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000584825612 484611021 /nfs/dbraw/zinc/61/10/21/484611021.db2.gz XZQGVYCBMTUTJZ-LVQVYYBASA-N 0 3 350.463 -0.387 20 0 FBADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000584825613 484610117 /nfs/dbraw/zinc/61/01/17/484610117.db2.gz XZQGVYCBMTUTJZ-XUWVNRHRSA-N 0 3 350.463 -0.387 20 0 FBADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000584825614 484610637 /nfs/dbraw/zinc/61/06/37/484610637.db2.gz XZQGVYCBMTUTJZ-YHUYYLMFSA-N 0 3 350.463 -0.387 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)NCC(=O)N1CCNCC1 ZINC000584829657 484611910 /nfs/dbraw/zinc/61/19/10/484611910.db2.gz NYFRZDPAISCWPP-UHFFFAOYSA-N 0 3 355.483 -0.885 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC([C@H](C)NC(C)=O)CC1 ZINC000584830677 484610213 /nfs/dbraw/zinc/61/02/13/484610213.db2.gz WRAVVQOMTMMYTJ-AWEZNQCLSA-N 0 3 370.494 -0.166 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)N1CCC([C@@H](C)NC(C)=O)CC1 ZINC000584830679 484610780 /nfs/dbraw/zinc/61/07/80/484610780.db2.gz WRAVVQOMTMMYTJ-CQSZACIVSA-N 0 3 370.494 -0.166 20 0 FBADHN C[C@@H](NC1CC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000584837101 484612360 /nfs/dbraw/zinc/61/23/60/484612360.db2.gz ZNLDEYGNRGNMNU-GFCCVEGCSA-N 0 3 360.480 -0.716 20 0 FBADHN C[C@H](NC1CC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000584837108 484611525 /nfs/dbraw/zinc/61/15/25/484611525.db2.gz ZNLDEYGNRGNMNU-LBPRGKRZSA-N 0 3 360.480 -0.716 20 0 FBADHN Cc1cnn(C)c1S(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000584845130 484612353 /nfs/dbraw/zinc/61/23/53/484612353.db2.gz BBELLRJAOJJNDN-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([NH2+]CCOC)CC2)cn1 ZINC000584846713 484613563 /nfs/dbraw/zinc/61/35/63/484613563.db2.gz YEEVWGMQLPMMCB-UHFFFAOYSA-N 0 3 356.448 -0.170 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2COc3cc(F)ccc3C2)[C@@H](CN)C1 ZINC000584850004 484613583 /nfs/dbraw/zinc/61/35/83/484613583.db2.gz RGZIEVSBMXQHIA-KBPBESRZSA-N 0 3 350.394 -0.653 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2COc3cc(F)ccc3C2)[C@@H](CN)C1 ZINC000584850008 484613338 /nfs/dbraw/zinc/61/33/38/484613338.db2.gz RGZIEVSBMXQHIA-KGLIPLIRSA-N 0 3 350.394 -0.653 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2COc3cc(F)ccc3C2)[C@H](CN)C1 ZINC000584850009 484613072 /nfs/dbraw/zinc/61/30/72/484613072.db2.gz RGZIEVSBMXQHIA-UONOGXRCSA-N 0 3 350.394 -0.653 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2COc3cc(F)ccc3C2)[C@H](CN)C1 ZINC000584850010 484613247 /nfs/dbraw/zinc/61/32/47/484613247.db2.gz RGZIEVSBMXQHIA-ZIAGYGMSSA-N 0 3 350.394 -0.653 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000584850402 484612818 /nfs/dbraw/zinc/61/28/18/484612818.db2.gz MLWGKZZKGXSWHO-FRRDWIJNSA-N 0 3 355.464 -0.218 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000584850410 484613434 /nfs/dbraw/zinc/61/34/34/484613434.db2.gz MLWGKZZKGXSWHO-RWMBFGLXSA-N 0 3 355.464 -0.218 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc4c(c3)C(=O)NCC4)CCN2C1=O ZINC000584850433 484613174 /nfs/dbraw/zinc/61/31/74/484613174.db2.gz UZCRTQUEMCUPAY-DZGCQCFKSA-N 0 3 357.414 -0.574 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc4c(c3)C(=O)NCC4)CCN2C1=O ZINC000584850437 484613572 /nfs/dbraw/zinc/61/35/72/484613572.db2.gz UZCRTQUEMCUPAY-HIFRSBDPSA-N 0 3 357.414 -0.574 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc4c(c3)C(=O)NCC4)CCN2C1=O ZINC000584850439 484613588 /nfs/dbraw/zinc/61/35/88/484613588.db2.gz UZCRTQUEMCUPAY-UKRRQHHQSA-N 0 3 357.414 -0.574 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccc4c(c3)C(=O)NCC4)CCN2C1=O ZINC000584850440 484613594 /nfs/dbraw/zinc/61/35/94/484613594.db2.gz UZCRTQUEMCUPAY-ZFWWWQNUSA-N 0 3 357.414 -0.574 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585687032 484094061 /nfs/dbraw/zinc/09/40/61/484094061.db2.gz MLJKHJRPCXIJQY-CYBMUJFWSA-N 0 3 355.435 -0.234 20 0 FBADHN CN1CCC(NC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585687035 484093467 /nfs/dbraw/zinc/09/34/67/484093467.db2.gz MLJKHJRPCXIJQY-ZDUSSCGKSA-N 0 3 355.435 -0.234 20 0 FBADHN COC(=O)c1cn(CCNC(=O)N2CCN(c3ccncc3)CC2)nn1 ZINC000585746868 484097873 /nfs/dbraw/zinc/09/78/73/484097873.db2.gz OKFUPFIVDSQONW-UHFFFAOYSA-N 0 3 359.390 -0.009 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)C1CC1 ZINC000585779708 484099241 /nfs/dbraw/zinc/09/92/41/484099241.db2.gz INDCLXDBZBKHNX-CYBMUJFWSA-N 0 3 355.435 -0.234 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)C1CC1 ZINC000585779709 484098859 /nfs/dbraw/zinc/09/88/59/484098859.db2.gz INDCLXDBZBKHNX-ZDUSSCGKSA-N 0 3 355.435 -0.234 20 0 FBADHN COC(=O)c1cn(CCNC(=O)Nc2cnn(CCN(C)C)c2)nn1 ZINC000585797487 484101115 /nfs/dbraw/zinc/10/11/15/484101115.db2.gz PTJRRGJZPAOUFP-UHFFFAOYSA-N 0 3 350.383 -0.356 20 0 FBADHN CCOC(=O)COc1ccc(OCCN2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000585817018 484100350 /nfs/dbraw/zinc/10/03/50/484100350.db2.gz SGMFTTJNMTYONJ-KRWDZBQOSA-N 0 3 352.387 -0.071 20 0 FBADHN CCOC(=O)COc1ccc(OCCN2CC[C@](O)(C(N)=O)C2)cc1 ZINC000585817019 484100977 /nfs/dbraw/zinc/10/09/77/484100977.db2.gz SGMFTTJNMTYONJ-QGZVFWFLSA-N 0 3 352.387 -0.071 20 0 FBADHN C[C@@H](C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1[C@H](C)CC[C@H]1C ZINC000586754790 484112745 /nfs/dbraw/zinc/11/27/45/484112745.db2.gz CVGJEYCNRMKQCB-KFWWJZLASA-N 0 3 360.524 -0.059 20 0 FBADHN C[C@H](C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000586754791 484113490 /nfs/dbraw/zinc/11/34/90/484113490.db2.gz CVGJEYCNRMKQCB-QLFBSQMISA-N 0 3 360.524 -0.059 20 0 FBADHN C[C@H](C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1[C@H](C)CC[C@H]1C ZINC000586754792 484113418 /nfs/dbraw/zinc/11/34/18/484113418.db2.gz CVGJEYCNRMKQCB-RBSFLKMASA-N 0 3 360.524 -0.059 20 0 FBADHN C[C@@H](C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000586754793 484113401 /nfs/dbraw/zinc/11/34/01/484113401.db2.gz CVGJEYCNRMKQCB-ZNMIVQPWSA-N 0 3 360.524 -0.059 20 0 FBADHN CC[NH+]1CCC(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000586755067 484112996 /nfs/dbraw/zinc/11/29/96/484112996.db2.gz ZWYDMUIKUSPOJT-UHFFFAOYSA-N 0 3 357.480 -0.145 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)Nc2cnn(CCN(C)C)c2)cn1C ZINC000586756906 484112858 /nfs/dbraw/zinc/11/28/58/484112858.db2.gz ZPBDJQIFTOLZMY-UHFFFAOYSA-N 0 3 369.451 -0.596 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000586766304 484114185 /nfs/dbraw/zinc/11/41/85/484114185.db2.gz UATGXXNMFVGSHC-KBPBESRZSA-N 0 3 374.507 -0.531 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000586766305 484114855 /nfs/dbraw/zinc/11/48/55/484114855.db2.gz UATGXXNMFVGSHC-KGLIPLIRSA-N 0 3 374.507 -0.531 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000586766306 484114939 /nfs/dbraw/zinc/11/49/39/484114939.db2.gz UATGXXNMFVGSHC-UONOGXRCSA-N 0 3 374.507 -0.531 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000586766307 484115239 /nfs/dbraw/zinc/11/52/39/484115239.db2.gz UATGXXNMFVGSHC-ZIAGYGMSSA-N 0 3 374.507 -0.531 20 0 FBADHN COCCn1ccc(NC(=O)N2CCC(C(=O)NCCN(C)C)CC2)n1 ZINC000586784342 484340381 /nfs/dbraw/zinc/34/03/81/484340381.db2.gz BESWBQHPGOPOTG-UHFFFAOYSA-N 0 3 366.466 0.451 20 0 FBADHN CCN(CCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000586851568 484130081 /nfs/dbraw/zinc/13/00/81/484130081.db2.gz DBIQPUQZLCSADB-GFCCVEGCSA-N 0 3 360.480 -0.537 20 0 FBADHN CCN(CCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000586851569 484129572 /nfs/dbraw/zinc/12/95/72/484129572.db2.gz DBIQPUQZLCSADB-LBPRGKRZSA-N 0 3 360.480 -0.537 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C)C1CC1 ZINC000586870433 484128880 /nfs/dbraw/zinc/12/88/80/484128880.db2.gz OQPRWRNBZJJRSS-AWEZNQCLSA-N 0 3 368.478 -0.317 20 0 FBADHN CCN(CCNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C)C1CC1 ZINC000586870434 484129128 /nfs/dbraw/zinc/12/91/28/484129128.db2.gz OQPRWRNBZJJRSS-CQSZACIVSA-N 0 3 368.478 -0.317 20 0 FBADHN CS[C@H](C)CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000586873503 484129327 /nfs/dbraw/zinc/12/93/27/484129327.db2.gz GLOHGKVOQWEGGX-CHWSQXEVSA-N 0 3 358.508 -0.087 20 0 FBADHN CS[C@H](C)CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000586873504 484130066 /nfs/dbraw/zinc/13/00/66/484130066.db2.gz GLOHGKVOQWEGGX-OLZOCXBDSA-N 0 3 358.508 -0.087 20 0 FBADHN CS[C@@H](C)CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000586873505 484128793 /nfs/dbraw/zinc/12/87/93/484128793.db2.gz GLOHGKVOQWEGGX-QWHCGFSZSA-N 0 3 358.508 -0.087 20 0 FBADHN CS[C@@H](C)CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000586873506 484130115 /nfs/dbraw/zinc/13/01/15/484130115.db2.gz GLOHGKVOQWEGGX-STQMWFEESA-N 0 3 358.508 -0.087 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCn1cncn1 ZINC000587106329 484132874 /nfs/dbraw/zinc/13/28/74/484132874.db2.gz DKSXUCCUEVALQG-AWEZNQCLSA-N 0 3 351.455 -0.090 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCn1cncn1 ZINC000587106330 484133438 /nfs/dbraw/zinc/13/34/38/484133438.db2.gz DKSXUCCUEVALQG-CQSZACIVSA-N 0 3 351.455 -0.090 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCCCNC1=O ZINC000587106346 484133103 /nfs/dbraw/zinc/13/31/03/484133103.db2.gz FXXISHSMCRHWHW-KBPBESRZSA-N 0 3 353.467 -0.103 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCCNC1=O ZINC000587106351 484133798 /nfs/dbraw/zinc/13/37/98/484133798.db2.gz 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/nfs/dbraw/zinc/33/31/09/484333109.db2.gz VQCQJORSRMXYMQ-VWLOTQADSA-N 0 3 364.475 -0.289 20 0 FBADHN CC(C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)S(C)(=O)=O ZINC000587993687 484333126 /nfs/dbraw/zinc/33/31/26/484333126.db2.gz ZYXIWCPJTRVWFN-JTQLQIEISA-N 0 3 351.388 -0.245 20 0 FBADHN CC(C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)S(C)(=O)=O ZINC000587993688 484333818 /nfs/dbraw/zinc/33/38/18/484333818.db2.gz ZYXIWCPJTRVWFN-SNVBAGLBSA-N 0 3 351.388 -0.245 20 0 FBADHN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000587999477 484333047 /nfs/dbraw/zinc/33/30/47/484333047.db2.gz AWYOZUDERSOEEG-KBPBESRZSA-N 0 3 372.491 -0.649 20 0 FBADHN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000587999478 484333857 /nfs/dbraw/zinc/33/38/57/484333857.db2.gz AWYOZUDERSOEEG-KGLIPLIRSA-N 0 3 372.491 -0.649 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000587999479 484333389 /nfs/dbraw/zinc/33/33/89/484333389.db2.gz AWYOZUDERSOEEG-UONOGXRCSA-N 0 3 372.491 -0.649 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000587999480 484333144 /nfs/dbraw/zinc/33/31/44/484333144.db2.gz AWYOZUDERSOEEG-ZIAGYGMSSA-N 0 3 372.491 -0.649 20 0 FBADHN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)CC2 ZINC000588055880 484335231 /nfs/dbraw/zinc/33/52/31/484335231.db2.gz AWJZPOLXYVDABC-CABCVRRESA-N 0 3 360.462 -0.134 20 0 FBADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)CC2 ZINC000588055881 484334380 /nfs/dbraw/zinc/33/43/80/484334380.db2.gz AWJZPOLXYVDABC-GJZGRUSLSA-N 0 3 360.462 -0.134 20 0 FBADHN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)CC2 ZINC000588055882 484335092 /nfs/dbraw/zinc/33/50/92/484335092.db2.gz AWJZPOLXYVDABC-HUUCEWRRSA-N 0 3 360.462 -0.134 20 0 FBADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)CC2 ZINC000588055883 484334430 /nfs/dbraw/zinc/33/44/30/484334430.db2.gz AWJZPOLXYVDABC-LSDHHAIUSA-N 0 3 360.462 -0.134 20 0 FBADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1C[C@H]3CCCN3C[C@@H]1C)CC2 ZINC000588135129 484340209 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-0.039 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n[nH]1 ZINC000588200474 484341961 /nfs/dbraw/zinc/34/19/61/484341961.db2.gz ZQEARRGUKBTFOD-MRXNPFEDSA-N 0 3 362.478 -0.039 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)[nH]n1 ZINC000588200474 484341953 /nfs/dbraw/zinc/34/19/53/484341953.db2.gz ZQEARRGUKBTFOD-MRXNPFEDSA-N 0 3 362.478 -0.039 20 0 FBADHN CN(C)CCn1ccc(NC(=O)COc2ccc(S(N)(=O)=O)cc2)n1 ZINC000588216383 484103445 /nfs/dbraw/zinc/10/34/45/484103445.db2.gz CJZBSVQGOCUUHW-UHFFFAOYSA-N 0 3 367.431 0.110 20 0 FBADHN CN(C)CCn1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)n1 ZINC000588216472 484103214 /nfs/dbraw/zinc/10/32/14/484103214.db2.gz LPDXRDLMZOIEMS-UHFFFAOYSA-N 0 3 356.386 0.499 20 0 FBADHN CN(C)CCn1ccc(NC(=O)c2ccc(CS(N)(=O)=O)cc2)n1 ZINC000588216595 484108324 /nfs/dbraw/zinc/10/83/24/484108324.db2.gz WPBMRHAHYUMQLL-UHFFFAOYSA-N 0 3 351.432 0.486 20 0 FBADHN COCCN1CCC(NC(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000588288205 484364545 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/nfs/dbraw/zinc/76/46/91/483764691.db2.gz POQDFKYWADVJMX-ZDUSSCGKSA-N 0 3 373.450 -0.750 20 0 FBADHN Cc1cc(NC(=O)CSCC(=O)N[C@@H](CO)CN2CCCC2)no1 ZINC000588868641 484308076 /nfs/dbraw/zinc/30/80/76/484308076.db2.gz AQXHKXHXBWDSRF-GFCCVEGCSA-N 0 3 356.448 0.228 20 0 FBADHN Cc1cc(NC(=O)CSCC(=O)N[C@H](CO)CN2CCCC2)no1 ZINC000588868645 484308461 /nfs/dbraw/zinc/30/84/61/484308461.db2.gz AQXHKXHXBWDSRF-LBPRGKRZSA-N 0 3 356.448 0.228 20 0 FBADHN CN(CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)CC(C)(C)C ZINC000588903190 483766521 /nfs/dbraw/zinc/76/65/21/483766521.db2.gz RKJPJZVIKMQVJP-UHFFFAOYSA-N 0 3 368.478 -0.506 20 0 FBADHN CN(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)CC(C)(C)C ZINC000588903469 483766562 /nfs/dbraw/zinc/76/65/62/483766562.db2.gz ZBEFNESRBMRTJB-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN CCN1CCN(CC(=O)NC2CCN(CCCOC)CC2)C(=O)C1=O ZINC000588933313 483876940 /nfs/dbraw/zinc/87/69/40/483876940.db2.gz PVMJRXNPRFECDW-UHFFFAOYSA-N 0 3 354.451 -0.706 20 0 FBADHN COCCN(C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000588934457 483877412 /nfs/dbraw/zinc/87/74/12/483877412.db2.gz KYFCTPWOEOTBFF-UHFFFAOYSA-N 0 3 374.463 -0.656 20 0 FBADHN COCCN(C)CCNC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C ZINC000588934476 483877739 /nfs/dbraw/zinc/87/77/39/483877739.db2.gz MWBIKMIHOGIKJB-NSHDSACASA-N 0 3 362.452 -0.347 20 0 FBADHN COCCN(C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000588968396 484064812 /nfs/dbraw/zinc/06/48/12/484064812.db2.gz YXIGVCKCNJBUOP-UHFFFAOYSA-N 0 3 358.464 -0.158 20 0 FBADHN COCCCN1CCC(NC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000588968789 484065760 /nfs/dbraw/zinc/06/57/60/484065760.db2.gz BNNWYAWHSBWMEO-UHFFFAOYSA-N 0 3 369.510 -0.049 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)NC1CCN(CCCOC)CC1 ZINC000588970633 484066115 /nfs/dbraw/zinc/06/61/15/484066115.db2.gz DDQDMDSXULLHPU-UHFFFAOYSA-N 0 3 350.485 -0.274 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)NC2CCN(CCCOC)CC2)CC1 ZINC000588972237 484065503 /nfs/dbraw/zinc/06/55/03/484065503.db2.gz XYYWTBPVTCWEPA-UHFFFAOYSA-N 0 3 369.510 -0.003 20 0 FBADHN COCCN(C)CCNC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000588972718 484064903 /nfs/dbraw/zinc/06/49/03/484064903.db2.gz VXGYXDKRWWVSCF-UHFFFAOYSA-N 0 3 354.455 -0.351 20 0 FBADHN COCCN(C)CCNC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000588972783 484066229 /nfs/dbraw/zinc/06/62/29/484066229.db2.gz ZIRKCNHIHMNSAW-UHFFFAOYSA-N 0 3 365.482 -0.524 20 0 FBADHN COCCCN1CCC(NC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000588976945 484066960 /nfs/dbraw/zinc/06/69/60/484066960.db2.gz ZSZFOHMDZBQFHO-UHFFFAOYSA-N 0 3 362.496 -0.178 20 0 FBADHN COCCN(C)CCNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000588981298 484119894 /nfs/dbraw/zinc/11/98/94/484119894.db2.gz DEWUKFBEFVAUHP-CYBMUJFWSA-N 0 3 350.485 -0.322 20 0 FBADHN COCCN(C)CCNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000588981300 484120478 /nfs/dbraw/zinc/12/04/78/484120478.db2.gz DEWUKFBEFVAUHP-ZDUSSCGKSA-N 0 3 350.485 -0.322 20 0 FBADHN COCCN(C)CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000588981458 484137940 /nfs/dbraw/zinc/13/79/40/484137940.db2.gz IFROBXSNPWVHKR-CYBMUJFWSA-N 0 3 350.485 -0.465 20 0 FBADHN COCCN(C)CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000588981464 484137768 /nfs/dbraw/zinc/13/77/68/484137768.db2.gz IFROBXSNPWVHKR-ZDUSSCGKSA-N 0 3 350.485 -0.465 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NC2CCN(CCCOC)CC2)CC1 ZINC000588981623 484137786 /nfs/dbraw/zinc/13/77/86/484137786.db2.gz VMZIBMQCKRGEKZ-UHFFFAOYSA-N 0 3 369.510 -0.049 20 0 FBADHN COCCCN1CCC(NC(=O)N2CCN(C(=O)COC)CC2)CC1 ZINC000588981706 484138483 /nfs/dbraw/zinc/13/84/83/484138483.db2.gz ZITGWMILOURURV-UHFFFAOYSA-N 0 3 356.467 -0.013 20 0 FBADHN CCS(=O)(=O)NC1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000588981744 484139706 /nfs/dbraw/zinc/13/97/06/484139706.db2.gz SOHYNCYVDOORAL-UHFFFAOYSA-N 0 3 350.485 -0.322 20 0 FBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000588982532 484142905 /nfs/dbraw/zinc/14/29/05/484142905.db2.gz JUYNWJAJOCSHSW-HNNXBMFYSA-N 0 3 357.499 -0.194 20 0 FBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000588982535 484143567 /nfs/dbraw/zinc/14/35/67/484143567.db2.gz 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/nfs/dbraw/zinc/59/19/68/483591968.db2.gz DNNMLHGGXLELOK-IYBDPMFKSA-N 0 3 352.479 -0.138 20 0 FBADHN Cn1ncc2c1nc(CN1CCN(C(=O)CN3CCCC3)CC1)[nH]c2=O ZINC000590790881 483591602 /nfs/dbraw/zinc/59/16/02/483591602.db2.gz BMDSKCONLLLWIA-UHFFFAOYSA-N 0 3 359.434 -0.191 20 0 FBADHN CCN1CCN(C(=O)[C@H](C)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000590790883 483592353 /nfs/dbraw/zinc/59/23/53/483592353.db2.gz CLYPCVVDWDKTJA-KRWDZBQOSA-N 0 3 365.522 -0.221 20 0 FBADHN CCN1CCN(C(=O)[C@@H](C)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000590790884 483591762 /nfs/dbraw/zinc/59/17/62/483591762.db2.gz CLYPCVVDWDKTJA-QGZVFWFLSA-N 0 3 365.522 -0.221 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000590797826 483591949 /nfs/dbraw/zinc/59/19/49/483591949.db2.gz XYURUORXOKOLOX-DLBZAZTESA-N 0 3 355.479 -0.217 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000590797827 483592272 /nfs/dbraw/zinc/59/22/72/483592272.db2.gz XYURUORXOKOLOX-IAGOWNOFSA-N 0 3 355.479 -0.217 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000590797828 483592149 /nfs/dbraw/zinc/59/21/49/483592149.db2.gz XYURUORXOKOLOX-IRXDYDNUSA-N 0 3 355.479 -0.217 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000590797829 483592010 /nfs/dbraw/zinc/59/20/10/483592010.db2.gz XYURUORXOKOLOX-SJORKVTESA-N 0 3 355.479 -0.217 20 0 FBADHN CN1CCN(CCCCNC(=O)NCC(=O)NCC(F)(F)F)CC1 ZINC000590801297 483591710 /nfs/dbraw/zinc/59/17/10/483591710.db2.gz JBCVAYMXQBUOGI-UHFFFAOYSA-N 0 3 353.389 -0.008 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cn1C ZINC000590810384 483592117 /nfs/dbraw/zinc/59/21/17/483592117.db2.gz AMBHJDZBAMHZQL-CYBMUJFWSA-N 0 3 357.480 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cn1C ZINC000590810394 483592481 /nfs/dbraw/zinc/59/24/81/483592481.db2.gz AMBHJDZBAMHZQL-ZDUSSCGKSA-N 0 3 357.480 -0.004 20 0 FBADHN O=C(CNC(=O)c1ccc(O)cc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000590816628 483592058 /nfs/dbraw/zinc/59/20/58/483592058.db2.gz AZZLTVJJBSYDAS-UHFFFAOYSA-N 0 3 374.441 -0.111 20 0 FBADHN O=C(CNC(=O)c1ccncc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000590816669 483591900 /nfs/dbraw/zinc/59/19/00/483591900.db2.gz VYEHHSKICOOZDV-UHFFFAOYSA-N 0 3 359.430 -0.422 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817026 483593037 /nfs/dbraw/zinc/59/30/37/483593037.db2.gz QTDLTVNFBGSLAW-GDBMZVCRSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817027 483593534 /nfs/dbraw/zinc/59/35/34/483593534.db2.gz QTDLTVNFBGSLAW-GOEBONIOSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817028 483593201 /nfs/dbraw/zinc/59/32/01/483593201.db2.gz QTDLTVNFBGSLAW-HOCLYGCPSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817029 483593402 /nfs/dbraw/zinc/59/34/02/483593402.db2.gz QTDLTVNFBGSLAW-ZBFHGGJFSA-N 0 3 367.494 -0.744 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817052 483593614 /nfs/dbraw/zinc/59/36/14/483593614.db2.gz YGNXANKMYZWIMG-INIZCTEOSA-N 0 3 367.494 -0.743 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817053 483593067 /nfs/dbraw/zinc/59/30/67/483593067.db2.gz YGNXANKMYZWIMG-MRXNPFEDSA-N 0 3 367.494 -0.743 20 0 FBADHN COCCCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817404 483593260 /nfs/dbraw/zinc/59/32/60/483593260.db2.gz DUKMZFUSCLZJDT-INIZCTEOSA-N 0 3 368.478 -0.269 20 0 FBADHN COCCCN1CCC(NC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590817405 483592901 /nfs/dbraw/zinc/59/29/01/483592901.db2.gz DUKMZFUSCLZJDT-MRXNPFEDSA-N 0 3 368.478 -0.269 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000590817417 483593552 /nfs/dbraw/zinc/59/35/52/483593552.db2.gz GJRGMAFIDCDAKD-CABCVRRESA-N 0 3 354.451 -0.660 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000590817418 483593431 /nfs/dbraw/zinc/59/34/31/483593431.db2.gz GJRGMAFIDCDAKD-GJZGRUSLSA-N 0 3 354.451 -0.660 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000590817419 483593161 /nfs/dbraw/zinc/59/31/61/483593161.db2.gz GJRGMAFIDCDAKD-HUUCEWRRSA-N 0 3 354.451 -0.660 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000590817420 483593239 /nfs/dbraw/zinc/59/32/39/483593239.db2.gz GJRGMAFIDCDAKD-LSDHHAIUSA-N 0 3 354.451 -0.660 20 0 FBADHN COCCn1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000590824553 484340232 /nfs/dbraw/zinc/34/02/32/484340232.db2.gz OFGKZQXBHANGHR-UHFFFAOYSA-N 0 3 364.450 0.301 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2nnc3n2CCC3)CC1 ZINC000590829181 483593101 /nfs/dbraw/zinc/59/31/01/483593101.db2.gz ZIVJAEPNLBNRFW-UHFFFAOYSA-N 0 3 361.450 -0.326 20 0 FBADHN O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC1CCCC1 ZINC000590836938 483594270 /nfs/dbraw/zinc/59/42/70/483594270.db2.gz CUTGGMJUCKDYDB-UHFFFAOYSA-N 0 3 365.478 -0.005 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000590914942 483597578 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COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594041618 483698239 /nfs/dbraw/zinc/69/82/39/483698239.db2.gz BNPZZGSGYXKYKV-RCCFBDPRSA-N 0 3 373.453 -0.136 20 0 FBADHN COC(=O)CCCc1nnc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000594071947 484242856 /nfs/dbraw/zinc/24/28/56/484242856.db2.gz KJQAVQDDNUBZEY-WDEREUQCSA-N 0 3 369.447 0.317 20 0 FBADHN CCOC(=O)Cc1nnc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000594076575 484372266 /nfs/dbraw/zinc/37/22/66/484372266.db2.gz QFYYHABNWVORIV-VHSXEESVSA-N 0 3 355.420 -0.074 20 0 FBADHN CCOC(=O)Cn1cccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1=O ZINC000594077631 483698252 /nfs/dbraw/zinc/69/82/52/483698252.db2.gz HENMEOCQQXCPDO-QWHCGFSZSA-N 0 3 364.402 -0.306 20 0 FBADHN CN1CCN(CCCCNC(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000594090799 483697911 /nfs/dbraw/zinc/69/79/11/483697911.db2.gz ZARVNNYHHWHPCP-INIZCTEOSA-N 0 3 368.526 -0.347 20 0 FBADHN CN1CCN(CCCCNC(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000594090800 483697755 /nfs/dbraw/zinc/69/77/55/483697755.db2.gz ZARVNNYHHWHPCP-MRXNPFEDSA-N 0 3 368.526 -0.347 20 0 FBADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)NCCCCN1CCOCC1 ZINC000594104006 483698133 /nfs/dbraw/zinc/69/81/33/483698133.db2.gz SAPNRBBORKQHGC-HNNXBMFYSA-N 0 3 355.483 -0.262 20 0 FBADHN NC(=O)[C@H]1CCCN1CCCNC(=O)NCCCCN1CCOCC1 ZINC000594104007 483697744 /nfs/dbraw/zinc/69/77/44/483697744.db2.gz SAPNRBBORKQHGC-OAHLLOKOSA-N 0 3 355.483 -0.262 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000594172300 484380332 /nfs/dbraw/zinc/38/03/32/484380332.db2.gz ILTUGDFPGSSUJC-GFCCVEGCSA-N 0 3 366.422 0.030 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000594172301 484379795 /nfs/dbraw/zinc/37/97/95/484379795.db2.gz ILTUGDFPGSSUJC-LBPRGKRZSA-N 0 3 366.422 0.030 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)n1 ZINC000594172863 484378361 /nfs/dbraw/zinc/37/83/61/484378361.db2.gz QFMLSUHMHLQYCE-UHFFFAOYSA-N 0 3 366.422 -0.316 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)NC[C@H]2CCCN2CCCO)n1 ZINC000594173681 484381096 /nfs/dbraw/zinc/38/10/96/484381096.db2.gz AUXSKBKOCLDMCZ-CYBMUJFWSA-N 0 3 353.423 0.415 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)NC[C@@H]2CCCN2CCCO)n1 ZINC000594173682 484380661 /nfs/dbraw/zinc/38/06/61/484380661.db2.gz AUXSKBKOCLDMCZ-ZDUSSCGKSA-N 0 3 353.423 0.415 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)n1 ZINC000594174293 484381452 /nfs/dbraw/zinc/38/14/52/484381452.db2.gz FQZHVVPBIUSNIR-CYBMUJFWSA-N 0 3 353.423 0.415 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)n1 ZINC000594174294 484381297 /nfs/dbraw/zinc/38/12/97/484381297.db2.gz FQZHVVPBIUSNIR-ZDUSSCGKSA-N 0 3 353.423 0.415 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)NC[C@H]2CCCCN2CCO)n1 ZINC000594175164 484381500 /nfs/dbraw/zinc/38/15/00/484381500.db2.gz PBLRXYADHLNDRM-CYBMUJFWSA-N 0 3 353.423 0.415 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)n1 ZINC000594175165 484381676 /nfs/dbraw/zinc/38/16/76/484381676.db2.gz PBLRXYADHLNDRM-ZDUSSCGKSA-N 0 3 353.423 0.415 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)n1 ZINC000594191506 484381711 /nfs/dbraw/zinc/38/17/11/484381711.db2.gz UYHMYTKYPPDDJJ-AWEZNQCLSA-N 0 3 366.466 0.451 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)n1 ZINC000594191517 484380754 /nfs/dbraw/zinc/38/07/54/484380754.db2.gz UYHMYTKYPPDDJJ-CQSZACIVSA-N 0 3 366.466 0.451 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC000594235404 483699208 /nfs/dbraw/zinc/69/92/08/483699208.db2.gz VBKHBJDSZJRJAW-UHFFFAOYSA-N 0 3 353.423 -0.718 20 0 FBADHN Cc1nn(CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c(=O)n1C ZINC000594261317 483699693 /nfs/dbraw/zinc/69/96/93/483699693.db2.gz WXZQASUDLPEBGA-UHFFFAOYSA-N 0 3 355.439 -0.378 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)NCCN2CCCCC2)CC1 ZINC000594276772 483700064 /nfs/dbraw/zinc/70/00/64/483700064.db2.gz KWHNTRAJOVJMPA-UHFFFAOYSA-N 0 3 353.467 -0.148 20 0 FBADHN Cc1nn(CC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c(=O)n1C ZINC000594311222 483700959 /nfs/dbraw/zinc/70/09/59/483700959.db2.gz NKCCUGLEEYRUBT-HNNXBMFYSA-N 0 3 350.467 -0.483 20 0 FBADHN Cc1nn(CC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c(=O)n1C ZINC000594311225 483700458 /nfs/dbraw/zinc/70/04/58/483700458.db2.gz NKCCUGLEEYRUBT-OAHLLOKOSA-N 0 3 350.467 -0.483 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)OC(C)(C)C ZINC000594327447 484117235 /nfs/dbraw/zinc/11/72/35/484117235.db2.gz KRHWDIUTIIYXNE-GFCCVEGCSA-N 0 3 367.450 0.477 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(=O)OC(C)(C)C ZINC000594327448 484476287 /nfs/dbraw/zinc/47/62/87/484476287.db2.gz KRHWDIUTIIYXNE-LBPRGKRZSA-N 0 3 367.450 0.477 20 0 FBADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000594348735 483701287 /nfs/dbraw/zinc/70/12/87/483701287.db2.gz PPQSPNPGWDQLRV-RYUDHWBXSA-N 0 3 350.423 -0.314 20 0 FBADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000594348736 483702316 /nfs/dbraw/zinc/70/23/16/483702316.db2.gz PPQSPNPGWDQLRV-TXEJJXNPSA-N 0 3 350.423 -0.314 20 0 FBADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000594348737 483702369 /nfs/dbraw/zinc/70/23/69/483702369.db2.gz PPQSPNPGWDQLRV-VXGBXAGGSA-N 0 3 350.423 -0.314 20 0 FBADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594391760 483702080 /nfs/dbraw/zinc/70/20/80/483702080.db2.gz DMOHGZVAFMDWSK-XQQFMLRXSA-N 0 3 365.521 -0.675 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000594406442 484382822 /nfs/dbraw/zinc/38/28/22/484382822.db2.gz VAFOYYCEQROMRN-GFCCVEGCSA-N 0 3 351.407 -0.205 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000594406443 484382871 /nfs/dbraw/zinc/38/28/71/484382871.db2.gz VAFOYYCEQROMRN-LBPRGKRZSA-N 0 3 351.407 -0.205 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594478611 483704183 /nfs/dbraw/zinc/70/41/83/483704183.db2.gz STCUJOQGVIIDNT-AXFHLTTASA-N 0 3 374.381 -0.049 20 0 FBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594478612 483703727 /nfs/dbraw/zinc/70/37/27/483703727.db2.gz STCUJOQGVIIDNT-HBNTYKKESA-N 0 3 374.381 -0.049 20 0 FBADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000594523405 483704954 /nfs/dbraw/zinc/70/49/54/483704954.db2.gz BFZGXVROOYZQNY-JTQLQIEISA-N 0 3 368.356 -0.023 20 0 FBADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000594523406 483705351 /nfs/dbraw/zinc/70/53/51/483705351.db2.gz BFZGXVROOYZQNY-SNVBAGLBSA-N 0 3 368.356 -0.023 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@@H](CN)C(F)(F)F)C2)nn1 ZINC000594524625 483705196 /nfs/dbraw/zinc/70/51/96/483705196.db2.gz KYVBWERXPXLKCL-APPZFPTMSA-N 0 3 350.301 -0.089 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(C(=O)N[C@@H](CN)C(F)(F)F)C2)nn1 ZINC000594524626 483705087 /nfs/dbraw/zinc/70/50/87/483705087.db2.gz KYVBWERXPXLKCL-CBAPKCEASA-N 0 3 350.301 -0.089 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(C(=O)N[C@H](CN)C(F)(F)F)C2)nn1 ZINC000594524629 483705152 /nfs/dbraw/zinc/70/51/52/483705152.db2.gz KYVBWERXPXLKCL-IONNQARKSA-N 0 3 350.301 -0.089 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@H](CN)C(F)(F)F)C2)nn1 ZINC000594524631 483705238 /nfs/dbraw/zinc/70/52/38/483705238.db2.gz KYVBWERXPXLKCL-VXNVDRBHSA-N 0 3 350.301 -0.089 20 0 FBADHN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000594526037 483705248 /nfs/dbraw/zinc/70/52/48/483705248.db2.gz ZZYKXAVGKFHESB-DTWKUNHWSA-N 0 3 356.345 -0.121 20 0 FBADHN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000594526040 483704976 /nfs/dbraw/zinc/70/49/76/483704976.db2.gz ZZYKXAVGKFHESB-IUCAKERBSA-N 0 3 356.345 -0.121 20 0 FBADHN CCOC(=O)Cn1ccc(NC(=O)Nc2cnc(N3CCNCC3)nc2)n1 ZINC000594538561 484382749 /nfs/dbraw/zinc/38/27/49/484382749.db2.gz RFQQTWWDMPDJSQ-UHFFFAOYSA-N 0 3 374.405 0.290 20 0 FBADHN CCOC(=O)c1snc2c1ncn(C[C@@H](O)CN(C)CCOC)c2=O ZINC000594570228 483705899 /nfs/dbraw/zinc/70/58/99/483705899.db2.gz HVQZASNPYKJIHD-JTQLQIEISA-N 0 3 370.431 -0.031 20 0 FBADHN CCOC(=O)c1snc2c1ncn(C[C@H](O)CN(C)CCOC)c2=O ZINC000594570229 483705592 /nfs/dbraw/zinc/70/55/92/483705592.db2.gz HVQZASNPYKJIHD-SNVBAGLBSA-N 0 3 370.431 -0.031 20 0 FBADHN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603119 483706280 /nfs/dbraw/zinc/70/62/80/483706280.db2.gz JVEKFKZGCDTVDP-WDEREUQCSA-N 0 3 355.416 -0.624 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000594607127 483706676 /nfs/dbraw/zinc/70/66/76/483706676.db2.gz KVRJOSALSOKSTO-GFCCVEGCSA-N 0 3 361.402 -0.125 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000594607129 483706666 /nfs/dbraw/zinc/70/66/66/483706666.db2.gz KVRJOSALSOKSTO-LBPRGKRZSA-N 0 3 361.402 -0.125 20 0 FBADHN COC(=O)[C@]12CN(C(=O)C(=O)NCCOCCN(C)C)C[C@H]1CCCC2 ZINC000594621064 483706490 /nfs/dbraw/zinc/70/64/90/483706490.db2.gz CKAQERDQVDJUPM-RDTXWAMCSA-N 0 3 369.462 -0.127 20 0 FBADHN Cn1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000594641574 483709327 /nfs/dbraw/zinc/70/93/27/483709327.db2.gz PZILNMCBAFRWCF-GFCCVEGCSA-N 0 3 359.430 -0.210 20 0 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CRXCLRKVJMFGTR-WOPDTQHZSA-N 0 3 353.448 -0.287 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OCCCO4)CCN2C1=O ZINC000594875413 483715127 /nfs/dbraw/zinc/71/51/27/483715127.db2.gz GVXATDBNNMTGHP-NEPJUHHUSA-N 0 3 367.427 -0.220 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OCCCO4)CCN2C1=O ZINC000594875414 483715217 /nfs/dbraw/zinc/71/52/17/483715217.db2.gz GVXATDBNNMTGHP-NWDGAFQWSA-N 0 3 367.427 -0.220 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OCCCO4)CCN2C1=O ZINC000594875415 483715188 /nfs/dbraw/zinc/71/51/88/483715188.db2.gz GVXATDBNNMTGHP-RYUDHWBXSA-N 0 3 367.427 -0.220 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OCCCO4)CCN2C1=O ZINC000594875416 483715120 /nfs/dbraw/zinc/71/51/20/483715120.db2.gz GVXATDBNNMTGHP-VXGBXAGGSA-N 0 3 367.427 -0.220 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)c1 ZINC000594875425 483715418 /nfs/dbraw/zinc/71/54/18/483715418.db2.gz AMYLYXNNIJZJFN-CHWSQXEVSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)c1 ZINC000594875426 660107474 /nfs/dbraw/zinc/10/74/74/660107474.db2.gz AMYLYXNNIJZJFN-OLZOCXBDSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)c1 ZINC000594875427 483715010 /nfs/dbraw/zinc/71/50/10/483715010.db2.gz AMYLYXNNIJZJFN-QWHCGFSZSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1 ZINC000594875428 483715090 /nfs/dbraw/zinc/71/50/90/483715090.db2.gz AMYLYXNNIJZJFN-STQMWFEESA-N 0 3 367.427 -0.286 20 0 FBADHN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000594875437 483715056 /nfs/dbraw/zinc/71/50/56/483715056.db2.gz BNNZQHRFZSBTDT-DZGCQCFKSA-N 0 3 366.443 -0.398 20 0 FBADHN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000594875438 483715236 /nfs/dbraw/zinc/71/52/36/483715236.db2.gz BNNZQHRFZSBTDT-HIFRSBDPSA-N 0 3 366.443 -0.398 20 0 FBADHN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000594875439 483715041 /nfs/dbraw/zinc/71/50/41/483715041.db2.gz BNNZQHRFZSBTDT-UKRRQHHQSA-N 0 3 366.443 -0.398 20 0 FBADHN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000594875440 483715145 /nfs/dbraw/zinc/71/51/45/483715145.db2.gz BNNZQHRFZSBTDT-ZFWWWQNUSA-N 0 3 366.443 -0.398 20 0 FBADHN Cc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc12 ZINC000594875473 483715260 /nfs/dbraw/zinc/71/52/60/483715260.db2.gz GNDOBXYYSDQOFK-BXKDBHETSA-N 0 3 351.388 -0.536 20 0 FBADHN Cc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc12 ZINC000594875474 483715232 /nfs/dbraw/zinc/71/52/32/483715232.db2.gz GNDOBXYYSDQOFK-CABZTGNLSA-N 0 3 351.388 -0.536 20 0 FBADHN Cc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc12 ZINC000594875475 483714992 /nfs/dbraw/zinc/71/49/92/483714992.db2.gz GNDOBXYYSDQOFK-JOYOIKCWSA-N 0 3 351.388 -0.536 20 0 FBADHN Cc1noc2ncc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc12 ZINC000594875476 483715074 /nfs/dbraw/zinc/71/50/74/483715074.db2.gz GNDOBXYYSDQOFK-SKDRFNHKSA-N 0 3 351.388 -0.536 20 0 FBADHN CCc1ccccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875489 483715374 /nfs/dbraw/zinc/71/53/74/483715374.db2.gz IYYIVGSGAIIWTO-CABCVRRESA-N 0 3 373.457 -0.453 20 0 FBADHN CCc1ccccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875490 483715391 /nfs/dbraw/zinc/71/53/91/483715391.db2.gz IYYIVGSGAIIWTO-GJZGRUSLSA-N 0 3 373.457 -0.453 20 0 FBADHN CCc1ccccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875491 483715035 /nfs/dbraw/zinc/71/50/35/483715035.db2.gz IYYIVGSGAIIWTO-HUUCEWRRSA-N 0 3 373.457 -0.453 20 0 FBADHN CCc1ccccc1NC(=O)CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875492 483714996 /nfs/dbraw/zinc/71/49/96/483714996.db2.gz IYYIVGSGAIIWTO-LSDHHAIUSA-N 0 3 373.457 -0.453 20 0 FBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OCCC4)CCN2C1=O ZINC000594875541 483715264 /nfs/dbraw/zinc/71/52/64/483715264.db2.gz JEVSCNIRUMEOFR-CHWSQXEVSA-N 0 3 351.428 -0.056 20 0 FBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OCCC4)CCN2C1=O ZINC000594875542 483715270 /nfs/dbraw/zinc/71/52/70/483715270.db2.gz JEVSCNIRUMEOFR-OLZOCXBDSA-N 0 3 351.428 -0.056 20 0 FBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OCCC4)CCN2C1=O ZINC000594875543 483715290 /nfs/dbraw/zinc/71/52/90/483715290.db2.gz JEVSCNIRUMEOFR-QWHCGFSZSA-N 0 3 351.428 -0.056 20 0 FBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OCCC4)CCN2C1=O ZINC000594875544 483715183 /nfs/dbraw/zinc/71/51/83/483715183.db2.gz JEVSCNIRUMEOFR-STQMWFEESA-N 0 3 351.428 -0.056 20 0 FBADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875577 483715406 /nfs/dbraw/zinc/71/54/06/483715406.db2.gz KOLQYUCUMCDYEL-LOWDOPEQSA-N 0 3 359.448 -0.708 20 0 FBADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875578 483715309 /nfs/dbraw/zinc/71/53/09/483715309.db2.gz KOLQYUCUMCDYEL-LPWJVIDDSA-N 0 3 359.448 -0.708 20 0 FBADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875579 483715098 /nfs/dbraw/zinc/71/50/98/483715098.db2.gz KOLQYUCUMCDYEL-NDBYEHHHSA-N 0 3 359.448 -0.708 20 0 FBADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875580 483715352 /nfs/dbraw/zinc/71/53/52/483715352.db2.gz KOLQYUCUMCDYEL-RNJOBUHISA-N 0 3 359.448 -0.708 20 0 FBADHN COCCOc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875601 483715101 /nfs/dbraw/zinc/71/51/01/483715101.db2.gz LOMBRYZLZWUXMW-CHWSQXEVSA-N 0 3 369.443 -0.356 20 0 FBADHN COCCOc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875602 483715020 /nfs/dbraw/zinc/71/50/20/483715020.db2.gz LOMBRYZLZWUXMW-OLZOCXBDSA-N 0 3 369.443 -0.356 20 0 FBADHN COCCOc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875603 483715295 /nfs/dbraw/zinc/71/52/95/483715295.db2.gz LOMBRYZLZWUXMW-QWHCGFSZSA-N 0 3 369.443 -0.356 20 0 FBADHN COCCOc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875604 483715211 /nfs/dbraw/zinc/71/52/11/483715211.db2.gz LOMBRYZLZWUXMW-STQMWFEESA-N 0 3 369.443 -0.356 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000594875613 483714966 /nfs/dbraw/zinc/71/49/66/483714966.db2.gz NALKJWXUNIFWIQ-AAEUAGOBSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000594875614 483715227 /nfs/dbraw/zinc/71/52/27/483715227.db2.gz NALKJWXUNIFWIQ-DGCLKSJQSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000594875615 483714998 /nfs/dbraw/zinc/71/49/98/483714998.db2.gz NALKJWXUNIFWIQ-WCQYABFASA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000594875616 483714976 /nfs/dbraw/zinc/71/49/76/483714976.db2.gz NALKJWXUNIFWIQ-YPMHNXCESA-N 0 3 352.416 -0.974 20 0 FBADHN COc1cc(F)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(F)c1 ZINC000594875688 483715355 /nfs/dbraw/zinc/71/53/55/483715355.db2.gz MKPWASFCBBYDMI-PELKAZGASA-N 0 3 361.370 -0.094 20 0 FBADHN COc1cc(F)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(F)c1 ZINC000594875699 483715396 /nfs/dbraw/zinc/71/53/96/483715396.db2.gz MKPWASFCBBYDMI-PRHODGIISA-N 0 3 361.370 -0.094 20 0 FBADHN COc1cc(F)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(F)c1 ZINC000594875700 483715314 /nfs/dbraw/zinc/71/53/14/483715314.db2.gz MKPWASFCBBYDMI-QPUJVOFHSA-N 0 3 361.370 -0.094 20 0 FBADHN COc1cc(F)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(F)c1 ZINC000594875701 483715082 /nfs/dbraw/zinc/71/50/82/483715082.db2.gz MKPWASFCBBYDMI-UFBFGSQYSA-N 0 3 361.370 -0.094 20 0 FBADHN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875802 483715140 /nfs/dbraw/zinc/71/51/40/483715140.db2.gz ZRWNZOHHRVRNET-GHMZBOCLSA-N 0 3 355.464 -0.523 20 0 FBADHN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875807 483715200 /nfs/dbraw/zinc/71/52/00/483715200.db2.gz ZRWNZOHHRVRNET-MNOVXSKESA-N 0 3 355.464 -0.523 20 0 FBADHN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875808 483715012 /nfs/dbraw/zinc/71/50/12/483715012.db2.gz ZRWNZOHHRVRNET-QWRGUYRKSA-N 0 3 355.464 -0.523 20 0 FBADHN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875820 483715279 /nfs/dbraw/zinc/71/52/79/483715279.db2.gz ZRWNZOHHRVRNET-WDEREUQCSA-N 0 3 355.464 -0.523 20 0 FBADHN COC(=O)c1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875849 483715104 /nfs/dbraw/zinc/71/51/04/483715104.db2.gz VTJJZZNZGDUSMM-GXTWGEPZSA-N 0 3 367.427 -0.453 20 0 FBADHN COC(=O)c1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875850 483715381 /nfs/dbraw/zinc/71/53/81/483715381.db2.gz VTJJZZNZGDUSMM-JSGCOSHPSA-N 0 3 367.427 -0.453 20 0 FBADHN COC(=O)c1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875851 483715058 /nfs/dbraw/zinc/71/50/58/483715058.db2.gz VTJJZZNZGDUSMM-OCCSQVGLSA-N 0 3 367.427 -0.453 20 0 FBADHN COC(=O)c1ccccc1CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875852 483714972 /nfs/dbraw/zinc/71/49/72/483714972.db2.gz VTJJZZNZGDUSMM-TZMCWYRMSA-N 0 3 367.427 -0.453 20 0 FBADHN COC(=O)c1c(C)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875861 483715028 /nfs/dbraw/zinc/71/50/28/483715028.db2.gz WMHAZLGPIKXICQ-NEPJUHHUSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1c(C)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875862 483715276 /nfs/dbraw/zinc/71/52/76/483715276.db2.gz WMHAZLGPIKXICQ-NWDGAFQWSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1c(C)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875863 483715124 /nfs/dbraw/zinc/71/51/24/483715124.db2.gz WMHAZLGPIKXICQ-RYUDHWBXSA-N 0 3 367.427 -0.286 20 0 FBADHN COC(=O)c1c(C)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875864 483715208 /nfs/dbraw/zinc/71/52/08/483715208.db2.gz WMHAZLGPIKXICQ-VXGBXAGGSA-N 0 3 367.427 -0.286 20 0 FBADHN CN(C)C(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000594875969 483715321 /nfs/dbraw/zinc/71/53/21/483715321.db2.gz UNNHTUWGKWWJJS-GXTWGEPZSA-N 0 3 366.443 -0.679 20 0 FBADHN CN(C)C(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000594875970 483715018 /nfs/dbraw/zinc/71/50/18/483715018.db2.gz UNNHTUWGKWWJJS-JSGCOSHPSA-N 0 3 366.443 -0.679 20 0 FBADHN CN(C)C(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000594875971 483715367 /nfs/dbraw/zinc/71/53/67/483715367.db2.gz UNNHTUWGKWWJJS-OCCSQVGLSA-N 0 3 366.443 -0.679 20 0 FBADHN CN(C)C(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000594875972 483715155 /nfs/dbraw/zinc/71/51/55/483715155.db2.gz UNNHTUWGKWWJJS-TZMCWYRMSA-N 0 3 366.443 -0.679 20 0 FBADHN Nc1nc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000594876129 484553140 /nfs/dbraw/zinc/55/31/40/484553140.db2.gz FJKPDNFCAHZAKZ-CHWSQXEVSA-N 0 3 372.408 0.080 20 0 FBADHN Nc1nc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000594876130 484552464 /nfs/dbraw/zinc/55/24/64/484552464.db2.gz FJKPDNFCAHZAKZ-OLZOCXBDSA-N 0 3 372.408 0.080 20 0 FBADHN Nc1nc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000594876131 484553029 /nfs/dbraw/zinc/55/30/29/484553029.db2.gz FJKPDNFCAHZAKZ-QWHCGFSZSA-N 0 3 372.408 0.080 20 0 FBADHN Nc1nc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000594876132 484552602 /nfs/dbraw/zinc/55/26/02/484552602.db2.gz FJKPDNFCAHZAKZ-STQMWFEESA-N 0 3 372.408 0.080 20 0 FBADHN N[C@@H]1C[C@@H]2CN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000594876245 483715087 /nfs/dbraw/zinc/71/50/87/483715087.db2.gz LRFIVTTWRHCMLN-GDBMZVCRSA-N 0 3 364.471 -0.129 20 0 FBADHN N[C@@H]1C[C@H]2CN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000594876246 483715096 /nfs/dbraw/zinc/71/50/96/483715096.db2.gz LRFIVTTWRHCMLN-GOEBONIOSA-N 0 3 364.471 -0.129 20 0 FBADHN N[C@H]1C[C@H]2CN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000594876247 483715178 /nfs/dbraw/zinc/71/51/78/483715178.db2.gz LRFIVTTWRHCMLN-HOCLYGCPSA-N 0 3 364.471 -0.129 20 0 FBADHN N[C@H]1C[C@@H]2CN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)CCN2C1=O ZINC000594876248 483715033 /nfs/dbraw/zinc/71/50/33/483715033.db2.gz LRFIVTTWRHCMLN-ZBFHGGJFSA-N 0 3 364.471 -0.129 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594876353 483715220 /nfs/dbraw/zinc/71/52/20/483715220.db2.gz UWZKBNDYJOMNLR-OBJOEFQTSA-N 0 3 366.443 -0.876 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594876354 483715067 /nfs/dbraw/zinc/71/50/67/483715067.db2.gz UWZKBNDYJOMNLR-OUCADQQQSA-N 0 3 366.443 -0.876 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594876355 483715251 /nfs/dbraw/zinc/71/52/51/483715251.db2.gz UWZKBNDYJOMNLR-SCRDCRAPSA-N 0 3 366.443 -0.876 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594876356 483715193 /nfs/dbraw/zinc/71/51/93/483715193.db2.gz UWZKBNDYJOMNLR-SGMGOOAPSA-N 0 3 366.443 -0.876 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000594876531 483715413 /nfs/dbraw/zinc/71/54/13/483715413.db2.gz NACYTJGZPWUIAN-GXTWGEPZSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000594876532 483715339 /nfs/dbraw/zinc/71/53/39/483715339.db2.gz NACYTJGZPWUIAN-JSGCOSHPSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000594876533 483715038 /nfs/dbraw/zinc/71/50/38/483715038.db2.gz NACYTJGZPWUIAN-OCCSQVGLSA-N 0 3 358.398 -0.280 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CCN2C1=O ZINC000594876534 483715386 /nfs/dbraw/zinc/71/53/86/483715386.db2.gz NACYTJGZPWUIAN-TZMCWYRMSA-N 0 3 358.398 -0.280 20 0 FBADHN Cc1cccc([C@H](CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)NC(N)=O)c1 ZINC000594876841 483715349 /nfs/dbraw/zinc/71/53/49/483715349.db2.gz CPYSQBQNKYUFFQ-ILXRZTDVSA-N 0 3 359.430 -0.135 20 0 FBADHN Cc1cccc([C@H](CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)NC(N)=O)c1 ZINC000594876843 483715341 /nfs/dbraw/zinc/71/53/41/483715341.db2.gz CPYSQBQNKYUFFQ-KFWWJZLASA-N 0 3 359.430 -0.135 20 0 FBADHN Cc1cccc([C@H](CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)NC(N)=O)c1 ZINC000594876844 483715050 /nfs/dbraw/zinc/71/50/50/483715050.db2.gz CPYSQBQNKYUFFQ-KKUMJFAQSA-N 0 3 359.430 -0.135 20 0 FBADHN Cc1cccc([C@H](CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)NC(N)=O)c1 ZINC000594876845 483715047 /nfs/dbraw/zinc/71/50/47/483715047.db2.gz CPYSQBQNKYUFFQ-ZNMIVQPWSA-N 0 3 359.430 -0.135 20 0 FBADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594877018 483715358 /nfs/dbraw/zinc/71/53/58/483715358.db2.gz FBWSPDVCBFHBCK-GWCFXTLKSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594877019 483714984 /nfs/dbraw/zinc/71/49/84/483714984.db2.gz FBWSPDVCBFHBCK-GXFFZTMASA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594877020 483715247 /nfs/dbraw/zinc/71/52/47/483715247.db2.gz FBWSPDVCBFHBCK-MFKMUULPSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594877021 483715022 /nfs/dbraw/zinc/71/50/22/483715022.db2.gz FBWSPDVCBFHBCK-ZWNOBZJWSA-N 0 3 352.416 -0.974 20 0 FBADHN COc1ccc(C(=O)NCCCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000594877023 483715150 /nfs/dbraw/zinc/71/51/50/483715150.db2.gz MRXJYYNFMORGST-GDBMZVCRSA-N 0 3 374.441 -0.024 20 0 FBADHN COc1ccc(C(=O)NCCCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000594877024 483715225 /nfs/dbraw/zinc/71/52/25/483715225.db2.gz MRXJYYNFMORGST-GOEBONIOSA-N 0 3 374.441 -0.024 20 0 FBADHN COc1ccc(C(=O)NCCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000594877025 483715108 /nfs/dbraw/zinc/71/51/08/483715108.db2.gz MRXJYYNFMORGST-HOCLYGCPSA-N 0 3 374.441 -0.024 20 0 FBADHN COc1ccc(C(=O)NCCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000594877026 483715772 /nfs/dbraw/zinc/71/57/72/483715772.db2.gz MRXJYYNFMORGST-ZBFHGGJFSA-N 0 3 374.441 -0.024 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CCN2C1=O ZINC000594877074 483715797 /nfs/dbraw/zinc/71/57/97/483715797.db2.gz FXXHWFPNUKZPLR-MBNYWOFBSA-N 0 3 360.389 -0.051 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CCN2C1=O ZINC000594877078 483715814 /nfs/dbraw/zinc/71/58/14/483715814.db2.gz FXXHWFPNUKZPLR-OUCADQQQSA-N 0 3 360.389 -0.051 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CCN2C1=O ZINC000594877081 483715837 /nfs/dbraw/zinc/71/58/37/483715837.db2.gz FXXHWFPNUKZPLR-SGMGOOAPSA-N 0 3 360.389 -0.051 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CCN2C1=O ZINC000594877086 483715865 /nfs/dbraw/zinc/71/58/65/483715865.db2.gz FXXHWFPNUKZPLR-YRGRVCCFSA-N 0 3 360.389 -0.051 20 0 FBADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)C2=O ZINC000594877162 483715808 /nfs/dbraw/zinc/71/58/08/483715808.db2.gz HUFPOONUFUHBJX-BXUZGUMPSA-N 0 3 356.382 -0.639 20 0 FBADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)C2=O ZINC000594877163 483716005 /nfs/dbraw/zinc/71/60/05/483716005.db2.gz HUFPOONUFUHBJX-FZMZJTMJSA-N 0 3 356.382 -0.639 20 0 FBADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)C2=O ZINC000594877164 483715783 /nfs/dbraw/zinc/71/57/83/483715783.db2.gz HUFPOONUFUHBJX-RISCZKNCSA-N 0 3 356.382 -0.639 20 0 FBADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)C2=O ZINC000594877165 483715615 /nfs/dbraw/zinc/71/56/15/483715615.db2.gz HUFPOONUFUHBJX-SMDDNHRTSA-N 0 3 356.382 -0.639 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1S(N)(=O)=O ZINC000594877166 483715967 /nfs/dbraw/zinc/71/59/67/483715967.db2.gz HZASKBPSFMDEHH-NEPJUHHUSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1S(N)(=O)=O ZINC000594877167 483715623 /nfs/dbraw/zinc/71/56/23/483715623.db2.gz HZASKBPSFMDEHH-NWDGAFQWSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1S(N)(=O)=O ZINC000594877168 483715744 /nfs/dbraw/zinc/71/57/44/483715744.db2.gz HZASKBPSFMDEHH-RYUDHWBXSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1S(N)(=O)=O ZINC000594877169 483715664 /nfs/dbraw/zinc/71/56/64/483715664.db2.gz HZASKBPSFMDEHH-VXGBXAGGSA-N 0 3 352.416 -0.974 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CCN2C1=O ZINC000594877339 483715897 /nfs/dbraw/zinc/71/58/97/483715897.db2.gz LSNKAYFBIUPOQP-KFWWJZLASA-N 0 3 374.466 -0.028 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)CCN2C1=O ZINC000594877340 483715882 /nfs/dbraw/zinc/71/58/82/483715882.db2.gz LSNKAYFBIUPOQP-RBSFLKMASA-N 0 3 374.466 -0.028 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)CCN2C1=O ZINC000594877341 483715754 /nfs/dbraw/zinc/71/57/54/483715754.db2.gz LSNKAYFBIUPOQP-RRFJBIMHSA-N 0 3 374.466 -0.028 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CCN2C1=O ZINC000594877342 483715630 /nfs/dbraw/zinc/71/56/30/483715630.db2.gz LSNKAYFBIUPOQP-ZNMIVQPWSA-N 0 3 374.466 -0.028 20 0 FBADHN CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000594877351 483715829 /nfs/dbraw/zinc/71/58/29/483715829.db2.gz MCEIYZPAFQCKSV-GXTWGEPZSA-N 0 3 366.443 -0.631 20 0 FBADHN CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000594877352 483715985 /nfs/dbraw/zinc/71/59/85/483715985.db2.gz MCEIYZPAFQCKSV-JSGCOSHPSA-N 0 3 366.443 -0.631 20 0 FBADHN CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000594877353 483715960 /nfs/dbraw/zinc/71/59/60/483715960.db2.gz MCEIYZPAFQCKSV-OCCSQVGLSA-N 0 3 366.443 -0.631 20 0 FBADHN CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000594877354 483715655 /nfs/dbraw/zinc/71/56/55/483715655.db2.gz MCEIYZPAFQCKSV-TZMCWYRMSA-N 0 3 366.443 -0.631 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CCN2C1=O ZINC000594877387 483715791 /nfs/dbraw/zinc/71/57/91/483715791.db2.gz PJKDMKZHKRQKNI-CHWSQXEVSA-N 0 3 357.370 -0.726 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CCN2C1=O ZINC000594877388 483715747 /nfs/dbraw/zinc/71/57/47/483715747.db2.gz PJKDMKZHKRQKNI-OLZOCXBDSA-N 0 3 357.370 -0.726 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CCN2C1=O ZINC000594877389 483715594 /nfs/dbraw/zinc/71/55/94/483715594.db2.gz PJKDMKZHKRQKNI-QWHCGFSZSA-N 0 3 357.370 -0.726 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CCN2C1=O ZINC000594877390 483715978 /nfs/dbraw/zinc/71/59/78/483715978.db2.gz PJKDMKZHKRQKNI-STQMWFEESA-N 0 3 357.370 -0.726 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CCN2C1=O ZINC000594877504 483715641 /nfs/dbraw/zinc/71/56/41/483715641.db2.gz QXKNCQIDSNEGKI-KFWWJZLASA-N 0 3 355.402 -0.773 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CCN2C1=O ZINC000594877505 483715916 /nfs/dbraw/zinc/71/59/16/483715916.db2.gz QXKNCQIDSNEGKI-RBSFLKMASA-N 0 3 355.402 -0.773 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CCN2C1=O ZINC000594877506 483715757 /nfs/dbraw/zinc/71/57/57/483715757.db2.gz QXKNCQIDSNEGKI-RRFJBIMHSA-N 0 3 355.402 -0.773 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CCN2C1=O ZINC000594877507 483715799 /nfs/dbraw/zinc/71/57/99/483715799.db2.gz QXKNCQIDSNEGKI-ZNMIVQPWSA-N 0 3 355.402 -0.773 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CN3C(=O)CSc4ccccc43)CCN2C1=O ZINC000594877524 483715972 /nfs/dbraw/zinc/71/59/72/483715972.db2.gz TUJQVRXAHWFWDF-NEPJUHHUSA-N 0 3 360.439 -0.104 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CN3C(=O)CSc4ccccc43)CCN2C1=O ZINC000594877525 483715909 /nfs/dbraw/zinc/71/59/09/483715909.db2.gz TUJQVRXAHWFWDF-NWDGAFQWSA-N 0 3 360.439 -0.104 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CN3C(=O)CSc4ccccc43)CCN2C1=O ZINC000594877526 483715806 /nfs/dbraw/zinc/71/58/06/483715806.db2.gz TUJQVRXAHWFWDF-RYUDHWBXSA-N 0 3 360.439 -0.104 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3C(=O)CSc4ccccc43)CCN2C1=O ZINC000594877527 483715777 /nfs/dbraw/zinc/71/57/77/483715777.db2.gz TUJQVRXAHWFWDF-VXGBXAGGSA-N 0 3 360.439 -0.104 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)CCN2C1=O ZINC000594878362 483715943 /nfs/dbraw/zinc/71/59/43/483715943.db2.gz GVSBQSSQFCNAJN-DDHJBXDOSA-N 0 3 365.352 -0.259 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)CCN2C1=O ZINC000594878363 483715989 /nfs/dbraw/zinc/71/59/89/483715989.db2.gz GVSBQSSQFCNAJN-NOOOWODRSA-N 0 3 365.352 -0.259 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)CCN2C1=O ZINC000594878364 483715649 /nfs/dbraw/zinc/71/56/49/483715649.db2.gz GVSBQSSQFCNAJN-WISYIIOYSA-N 0 3 365.352 -0.259 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)CCN2C1=O ZINC000594878365 483715781 /nfs/dbraw/zinc/71/57/81/483715781.db2.gz GVSBQSSQFCNAJN-WRWGMCAJSA-N 0 3 365.352 -0.259 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1N1CCNC1=O ZINC000594878657 483715834 /nfs/dbraw/zinc/71/58/34/483715834.db2.gz AFDRKZNDLKJDQO-KBPBESRZSA-N 0 3 357.414 -0.091 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1N1CCNC1=O ZINC000594878658 483715953 /nfs/dbraw/zinc/71/59/53/483715953.db2.gz AFDRKZNDLKJDQO-KGLIPLIRSA-N 0 3 357.414 -0.091 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1N1CCNC1=O ZINC000594878659 483715779 /nfs/dbraw/zinc/71/57/79/483715779.db2.gz AFDRKZNDLKJDQO-UONOGXRCSA-N 0 3 357.414 -0.091 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1N1CCNC1=O ZINC000594878660 483715804 /nfs/dbraw/zinc/71/58/04/483715804.db2.gz AFDRKZNDLKJDQO-ZIAGYGMSSA-N 0 3 357.414 -0.091 20 0 FBADHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594878681 483715956 /nfs/dbraw/zinc/71/59/56/483715956.db2.gz CDPKBVSNXMIWSH-QNWHQSFQSA-N 0 3 354.476 -0.296 20 0 FBADHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594878682 483715700 /nfs/dbraw/zinc/71/57/00/483715700.db2.gz CDPKBVSNXMIWSH-UMSGYPCISA-N 0 3 354.476 -0.296 20 0 FBADHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594878683 483715938 /nfs/dbraw/zinc/71/59/38/483715938.db2.gz CDPKBVSNXMIWSH-WUHRBBMRSA-N 0 3 354.476 -0.296 20 0 FBADHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594878684 483715818 /nfs/dbraw/zinc/71/58/18/483715818.db2.gz CDPKBVSNXMIWSH-ZDEQEGDKSA-N 0 3 354.476 -0.296 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCn3cc(Br)cn3)CCN2C1=O ZINC000594878955 483715903 /nfs/dbraw/zinc/71/59/03/483715903.db2.gz PWXLLSCSDKNXMI-GHMZBOCLSA-N 0 3 356.224 -0.194 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)CCn3cc(Br)cn3)CCN2C1=O ZINC000594878959 483715741 /nfs/dbraw/zinc/71/57/41/483715741.db2.gz PWXLLSCSDKNXMI-MNOVXSKESA-N 0 3 356.224 -0.194 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)CCn3cc(Br)cn3)CCN2C1=O ZINC000594878960 483715900 /nfs/dbraw/zinc/71/59/00/483715900.db2.gz PWXLLSCSDKNXMI-QWRGUYRKSA-N 0 3 356.224 -0.194 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CCn3cc(Br)cn3)CCN2C1=O ZINC000594878961 483715789 /nfs/dbraw/zinc/71/57/89/483715789.db2.gz PWXLLSCSDKNXMI-WDEREUQCSA-N 0 3 356.224 -0.194 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CCN2C1=O ZINC000594878978 483715846 /nfs/dbraw/zinc/71/58/46/483715846.db2.gz QKIRLPBXJZMKNS-AEGPPILISA-N 0 3 357.414 -0.800 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CCN2C1=O ZINC000594878979 483715736 /nfs/dbraw/zinc/71/57/36/483715736.db2.gz QKIRLPBXJZMKNS-BPLDGKMQSA-N 0 3 357.414 -0.800 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CCN2C1=O ZINC000594878981 483715932 /nfs/dbraw/zinc/71/59/32/483715932.db2.gz QKIRLPBXJZMKNS-NWANDNLSSA-N 0 3 357.414 -0.800 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CCN2C1=O ZINC000594878984 483715886 /nfs/dbraw/zinc/71/58/86/483715886.db2.gz QKIRLPBXJZMKNS-VHDGCEQUSA-N 0 3 357.414 -0.800 20 0 FBADHN Cc1ccc(CCC(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000594879169 483715764 /nfs/dbraw/zinc/71/57/64/483715764.db2.gz UMOZJSZVYKFUFO-CVEARBPZSA-N 0 3 358.442 -0.186 20 0 FBADHN Cc1ccc(CCC(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000594879170 483715679 /nfs/dbraw/zinc/71/56/79/483715679.db2.gz UMOZJSZVYKFUFO-HOTGVXAUSA-N 0 3 358.442 -0.186 20 0 FBADHN Cc1ccc(CCC(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000594879171 483715731 /nfs/dbraw/zinc/71/57/31/483715731.db2.gz UMOZJSZVYKFUFO-HZPDHXFCSA-N 0 3 358.442 -0.186 20 0 FBADHN Cc1ccc(CCC(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000594879172 483715684 /nfs/dbraw/zinc/71/56/84/483715684.db2.gz UMOZJSZVYKFUFO-JKSUJKDBSA-N 0 3 358.442 -0.186 20 0 FBADHN CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2)CC1 ZINC000594879650 483715853 /nfs/dbraw/zinc/71/58/53/483715853.db2.gz FQGOKXVNOOXBGM-MSOLQXFVSA-N 0 3 371.485 -0.182 20 0 FBADHN CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)CC1 ZINC000594879651 483715811 /nfs/dbraw/zinc/71/58/11/483715811.db2.gz FQGOKXVNOOXBGM-QZTJIDSGSA-N 0 3 371.485 -0.182 20 0 FBADHN CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2)CC1 ZINC000594879652 483715716 /nfs/dbraw/zinc/71/57/16/483715716.db2.gz FQGOKXVNOOXBGM-ROUUACIJSA-N 0 3 371.485 -0.182 20 0 FBADHN CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)CC1 ZINC000594879653 483715874 /nfs/dbraw/zinc/71/58/74/483715874.db2.gz FQGOKXVNOOXBGM-ZWKOTPCHSA-N 0 3 371.485 -0.182 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000594882171 483715787 /nfs/dbraw/zinc/71/57/87/483715787.db2.gz KTKUNDUVFZVNQJ-CORIIIEPSA-N 0 3 365.455 -0.036 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000594882172 483715826 /nfs/dbraw/zinc/71/58/26/483715826.db2.gz KTKUNDUVFZVNQJ-LNSITVRQSA-N 0 3 365.455 -0.036 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000594882174 483715840 /nfs/dbraw/zinc/71/58/40/483715840.db2.gz KTKUNDUVFZVNQJ-NJZAAPMLSA-N 0 3 365.455 -0.036 20 0 FBADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000594882177 483715801 /nfs/dbraw/zinc/71/58/01/483715801.db2.gz KTKUNDUVFZVNQJ-WHOFXGATSA-N 0 3 365.455 -0.036 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1S(N)(=O)=O ZINC000594882179 483715795 /nfs/dbraw/zinc/71/57/95/483715795.db2.gz LAFPLZPBDIETIN-NEPJUHHUSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1S(N)(=O)=O ZINC000594882180 483715707 /nfs/dbraw/zinc/71/57/07/483715707.db2.gz LAFPLZPBDIETIN-NWDGAFQWSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1S(N)(=O)=O ZINC000594882181 483715861 /nfs/dbraw/zinc/71/58/61/483715861.db2.gz LAFPLZPBDIETIN-RYUDHWBXSA-N 0 3 352.416 -0.974 20 0 FBADHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1S(N)(=O)=O ZINC000594882182 483715692 /nfs/dbraw/zinc/71/56/92/483715692.db2.gz LAFPLZPBDIETIN-VXGBXAGGSA-N 0 3 352.416 -0.974 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000594885683 483715924 /nfs/dbraw/zinc/71/59/24/483715924.db2.gz AEWWHTHAXHEUBE-DLBZAZTESA-N 0 3 358.442 -0.097 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000594885684 483715726 /nfs/dbraw/zinc/71/57/26/483715726.db2.gz AEWWHTHAXHEUBE-IAGOWNOFSA-N 0 3 358.442 -0.097 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000594885685 483716658 /nfs/dbraw/zinc/71/66/58/483716658.db2.gz AEWWHTHAXHEUBE-IRXDYDNUSA-N 0 3 358.442 -0.097 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000594885686 483716615 /nfs/dbraw/zinc/71/66/15/483716615.db2.gz AEWWHTHAXHEUBE-SJORKVTESA-N 0 3 358.442 -0.097 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)c3cccc(N4CCCNC4=O)c3)CCN2C1=O ZINC000594885715 483716689 /nfs/dbraw/zinc/71/66/89/483716689.db2.gz DVZNWJBLMBRCSX-CABCVRRESA-N 0 3 357.414 -0.010 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)c3cccc(N4CCCNC4=O)c3)CCN2C1=O ZINC000594885716 483716565 /nfs/dbraw/zinc/71/65/65/483716565.db2.gz DVZNWJBLMBRCSX-GJZGRUSLSA-N 0 3 357.414 -0.010 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(N4CCCNC4=O)c3)CCN2C1=O ZINC000594885717 483716492 /nfs/dbraw/zinc/71/64/92/483716492.db2.gz DVZNWJBLMBRCSX-HUUCEWRRSA-N 0 3 357.414 -0.010 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)c3cccc(N4CCCNC4=O)c3)CCN2C1=O ZINC000594885718 483716509 /nfs/dbraw/zinc/71/65/09/483716509.db2.gz DVZNWJBLMBRCSX-LSDHHAIUSA-N 0 3 357.414 -0.010 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCN2C1=O ZINC000594885960 483716578 /nfs/dbraw/zinc/71/65/78/483716578.db2.gz QNHRCKJLPKHCFL-BBWFWOEESA-N 0 3 358.442 -0.342 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CCN2C1=O ZINC000594885964 483716553 /nfs/dbraw/zinc/71/65/53/483716553.db2.gz QNHRCKJLPKHCFL-BRWVUGGUSA-N 0 3 358.442 -0.342 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CCN2C1=O ZINC000594885965 483716609 /nfs/dbraw/zinc/71/66/09/483716609.db2.gz QNHRCKJLPKHCFL-GVDBMIGSSA-N 0 3 358.442 -0.342 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CCN2C1=O ZINC000594885966 483716623 /nfs/dbraw/zinc/71/66/23/483716623.db2.gz QNHRCKJLPKHCFL-ZACQAIPSSA-N 0 3 358.442 -0.342 20 0 FBADHN COC(=O)CCN1CCC[C@@H](Sc2nnnn2CCN(C)C)C1=O ZINC000594888685 483716410 /nfs/dbraw/zinc/71/64/10/483716410.db2.gz BBXZDWWUAGUEFU-LLVKDONJSA-N 0 3 356.452 -0.119 20 0 FBADHN COC(=O)CCN1CCC[C@H](Sc2nnnn2CCN(C)C)C1=O ZINC000594888686 483716499 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FBADHN COC(=O)Cc1csc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000595229683 483723328 /nfs/dbraw/zinc/72/33/28/483723328.db2.gz AVFXHSSCJJUMLO-NXEZZACHSA-N 0 3 353.404 -0.366 20 0 FBADHN COC(=O)Cc1csc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000595229684 483723452 /nfs/dbraw/zinc/72/34/52/483723452.db2.gz AVFXHSSCJJUMLO-UWVGGRQHSA-N 0 3 353.404 -0.366 20 0 FBADHN COC(=O)Cc1csc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000595229685 483723425 /nfs/dbraw/zinc/72/34/25/483723425.db2.gz AVFXHSSCJJUMLO-VHSXEESVSA-N 0 3 353.404 -0.366 20 0 FBADHN COC(=O)Cc1csc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000595229686 483723322 /nfs/dbraw/zinc/72/33/22/483723322.db2.gz AVFXHSSCJJUMLO-ZJUUUORDSA-N 0 3 353.404 -0.366 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000595229823 483723505 /nfs/dbraw/zinc/72/35/05/483723505.db2.gz PEMALKQRTBQAMA-AAEUAGOBSA-N 0 3 367.431 -0.630 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000595229824 483723518 /nfs/dbraw/zinc/72/35/18/483723518.db2.gz PEMALKQRTBQAMA-DGCLKSJQSA-N 0 3 367.431 -0.630 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000595229825 483723446 /nfs/dbraw/zinc/72/34/46/483723446.db2.gz PEMALKQRTBQAMA-WCQYABFASA-N 0 3 367.431 -0.630 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000595229826 483723073 /nfs/dbraw/zinc/72/30/73/483723073.db2.gz PEMALKQRTBQAMA-YPMHNXCESA-N 0 3 367.431 -0.630 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3nnc(C(F)(F)F)s3)CCN2C1=O ZINC000595231767 484211284 /nfs/dbraw/zinc/21/12/84/484211284.db2.gz HYPYXRIBXMVIMR-NTSWFWBYSA-N 0 3 350.326 0.333 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3nnc(C(F)(F)F)s3)CCN2C1=O ZINC000595231768 484211555 /nfs/dbraw/zinc/21/15/55/484211555.db2.gz HYPYXRIBXMVIMR-PHDIDXHHSA-N 0 3 350.326 0.333 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3nnc(C(F)(F)F)s3)CCN2C1=O ZINC000595231769 484211540 /nfs/dbraw/zinc/21/15/40/484211540.db2.gz HYPYXRIBXMVIMR-RITPCOANSA-N 0 3 350.326 0.333 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)Nc3nnc(C(F)(F)F)s3)CCN2C1=O ZINC000595231770 484210632 /nfs/dbraw/zinc/21/06/32/484210632.db2.gz HYPYXRIBXMVIMR-WDSKDSINSA-N 0 3 350.326 0.333 20 0 FBADHN Cn1cc([C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C(F)(F)F)cn1 ZINC000595232135 483723270 /nfs/dbraw/zinc/72/32/70/483723270.db2.gz UYGCRUYMCOCFFA-AXFHLTTASA-N 0 3 360.340 -0.023 20 0 FBADHN Cn1cc([C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C(F)(F)F)cn1 ZINC000595232136 483723533 /nfs/dbraw/zinc/72/35/33/483723533.db2.gz UYGCRUYMCOCFFA-DCAQKATOSA-N 0 3 360.340 -0.023 20 0 FBADHN Cn1cc([C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C(F)(F)F)cn1 ZINC000595232137 483723374 /nfs/dbraw/zinc/72/33/74/483723374.db2.gz UYGCRUYMCOCFFA-MXWKQRLJSA-N 0 3 360.340 -0.023 20 0 FBADHN Cn1cc([C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C(F)(F)F)cn1 ZINC000595232139 483723101 /nfs/dbraw/zinc/72/31/01/483723101.db2.gz UYGCRUYMCOCFFA-VWYCJHECSA-N 0 3 360.340 -0.023 20 0 FBADHN COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000595237064 483723970 /nfs/dbraw/zinc/72/39/70/483723970.db2.gz VRXWSJLSAVIOBL-NWDGAFQWSA-N 0 3 350.379 -0.662 20 0 FBADHN CCC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000595240304 483724211 /nfs/dbraw/zinc/72/42/11/483724211.db2.gz BSHBGASEIGWWPW-KBPBESRZSA-N 0 3 358.398 -0.012 20 0 FBADHN CCC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000595240305 483724461 /nfs/dbraw/zinc/72/44/61/483724461.db2.gz BSHBGASEIGWWPW-KGLIPLIRSA-N 0 3 358.398 -0.012 20 0 FBADHN CCC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000595240306 483724404 /nfs/dbraw/zinc/72/44/04/483724404.db2.gz BSHBGASEIGWWPW-UONOGXRCSA-N 0 3 358.398 -0.012 20 0 FBADHN CCC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000595240307 483724350 /nfs/dbraw/zinc/72/43/50/483724350.db2.gz BSHBGASEIGWWPW-ZIAGYGMSSA-N 0 3 358.398 -0.012 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCOC4)CCN2C1=O ZINC000595240358 483724411 /nfs/dbraw/zinc/72/44/11/483724411.db2.gz ILBGLKBQKCCJCB-CABCVRRESA-N 0 3 358.398 -0.532 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCOC4)CCN2C1=O ZINC000595240359 483724468 /nfs/dbraw/zinc/72/44/68/483724468.db2.gz ILBGLKBQKCCJCB-GJZGRUSLSA-N 0 3 358.398 -0.532 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCOC4)CCN2C1=O ZINC000595240360 483724221 /nfs/dbraw/zinc/72/42/21/483724221.db2.gz ILBGLKBQKCCJCB-HUUCEWRRSA-N 0 3 358.398 -0.532 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCOC4)CCN2C1=O ZINC000595240361 483724572 /nfs/dbraw/zinc/72/45/72/483724572.db2.gz ILBGLKBQKCCJCB-LSDHHAIUSA-N 0 3 358.398 -0.532 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000595240412 483724357 /nfs/dbraw/zinc/72/43/57/483724357.db2.gz NRJDADTZDGKAGP-CABCVRRESA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000595240413 483724429 /nfs/dbraw/zinc/72/44/29/483724429.db2.gz NRJDADTZDGKAGP-GJZGRUSLSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000595240414 483724504 /nfs/dbraw/zinc/72/45/04/483724504.db2.gz NRJDADTZDGKAGP-HUUCEWRRSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000595240416 483724373 /nfs/dbraw/zinc/72/43/73/483724373.db2.gz NRJDADTZDGKAGP-LSDHHAIUSA-N 0 3 368.397 -0.419 20 0 FBADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000595240538 483724385 /nfs/dbraw/zinc/72/43/85/483724385.db2.gz VRDJSSRIRNVVIL-NXEZZACHSA-N 0 3 351.432 -0.277 20 0 FBADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000595240540 483724423 /nfs/dbraw/zinc/72/44/23/483724423.db2.gz VRDJSSRIRNVVIL-UWVGGRQHSA-N 0 3 351.432 -0.277 20 0 FBADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000595240542 483724278 /nfs/dbraw/zinc/72/42/78/483724278.db2.gz VRDJSSRIRNVVIL-VHSXEESVSA-N 0 3 351.432 -0.277 20 0 FBADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000595240544 483724193 /nfs/dbraw/zinc/72/41/93/483724193.db2.gz VRDJSSRIRNVVIL-ZJUUUORDSA-N 0 3 351.432 -0.277 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc1C ZINC000595240692 483724176 /nfs/dbraw/zinc/72/41/76/483724176.db2.gz WKWAPFAEFOOMQC-NEPJUHHUSA-N 0 3 361.402 -0.502 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc1C ZINC000595240693 483724448 /nfs/dbraw/zinc/72/44/48/483724448.db2.gz WKWAPFAEFOOMQC-NWDGAFQWSA-N 0 3 361.402 -0.502 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc1C ZINC000595240694 483724335 /nfs/dbraw/zinc/72/43/35/483724335.db2.gz WKWAPFAEFOOMQC-RYUDHWBXSA-N 0 3 361.402 -0.502 20 0 FBADHN CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc1C ZINC000595240695 483724308 /nfs/dbraw/zinc/72/43/08/483724308.db2.gz WKWAPFAEFOOMQC-VXGBXAGGSA-N 0 3 361.402 -0.502 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000595241943 483724325 /nfs/dbraw/zinc/72/43/25/483724325.db2.gz ANKGGSZYWPDREP-CHWSQXEVSA-N 0 3 374.397 -0.443 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000595241944 483724382 /nfs/dbraw/zinc/72/43/82/483724382.db2.gz ANKGGSZYWPDREP-OLZOCXBDSA-N 0 3 374.397 -0.443 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000595241945 483724251 /nfs/dbraw/zinc/72/42/51/483724251.db2.gz ANKGGSZYWPDREP-QWHCGFSZSA-N 0 3 374.397 -0.443 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000595241946 483724398 /nfs/dbraw/zinc/72/43/98/483724398.db2.gz ANKGGSZYWPDREP-STQMWFEESA-N 0 3 374.397 -0.443 20 0 FBADHN COC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C ZINC000595241984 483724268 /nfs/dbraw/zinc/72/42/68/483724268.db2.gz CWJCAOVLFOHDFP-AAEUAGOBSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C ZINC000595241985 483724437 /nfs/dbraw/zinc/72/44/37/483724437.db2.gz CWJCAOVLFOHDFP-DGCLKSJQSA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C ZINC000595241986 483724342 /nfs/dbraw/zinc/72/43/42/483724342.db2.gz CWJCAOVLFOHDFP-WCQYABFASA-N 0 3 374.397 -0.509 20 0 FBADHN COC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1C ZINC000595241987 483724475 /nfs/dbraw/zinc/72/44/75/483724475.db2.gz CWJCAOVLFOHDFP-YPMHNXCESA-N 0 3 374.397 -0.509 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)CCN2C1=O ZINC000595241988 484210344 /nfs/dbraw/zinc/21/03/44/484210344.db2.gz DRCFCHBPIGCNTF-KBPBESRZSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)CCN2C1=O ZINC000595241989 484210881 /nfs/dbraw/zinc/21/08/81/484210881.db2.gz DRCFCHBPIGCNTF-KGLIPLIRSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)CCN2C1=O ZINC000595241990 484210569 /nfs/dbraw/zinc/21/05/69/484210569.db2.gz DRCFCHBPIGCNTF-UONOGXRCSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)CCN2C1=O ZINC000595241991 484210998 /nfs/dbraw/zinc/21/09/98/484210998.db2.gz DRCFCHBPIGCNTF-ZIAGYGMSSA-N 0 3 368.397 -0.419 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCCc4ccc(F)cc43)CCN2C1=O ZINC000595242017 483724556 /nfs/dbraw/zinc/72/45/56/483724556.db2.gz IQBRTDMWZKIKDF-KBPBESRZSA-N 0 3 360.389 -0.125 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCc4ccc(F)cc43)CCN2C1=O ZINC000595242018 483724521 /nfs/dbraw/zinc/72/45/21/483724521.db2.gz IQBRTDMWZKIKDF-KGLIPLIRSA-N 0 3 360.389 -0.125 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCCc4ccc(F)cc43)CCN2C1=O ZINC000595242019 483724290 /nfs/dbraw/zinc/72/42/90/483724290.db2.gz IQBRTDMWZKIKDF-UONOGXRCSA-N 0 3 360.389 -0.125 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCc4ccc(F)cc43)CCN2C1=O ZINC000595242020 483724330 /nfs/dbraw/zinc/72/43/30/483724330.db2.gz IQBRTDMWZKIKDF-ZIAGYGMSSA-N 0 3 360.389 -0.125 20 0 FBADHN CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000595242027 483725111 /nfs/dbraw/zinc/72/51/11/483725111.db2.gz KFEDJCUMYOEVTJ-CABCVRRESA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000595242028 483725097 /nfs/dbraw/zinc/72/50/97/483725097.db2.gz KFEDJCUMYOEVTJ-GJZGRUSLSA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000595242029 483725174 /nfs/dbraw/zinc/72/51/74/483725174.db2.gz KFEDJCUMYOEVTJ-HUUCEWRRSA-N 0 3 373.413 -0.622 20 0 FBADHN CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000595242030 483725070 /nfs/dbraw/zinc/72/50/70/483725070.db2.gz KFEDJCUMYOEVTJ-LSDHHAIUSA-N 0 3 373.413 -0.622 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCc4cc(F)c(F)cc43)CCN2C1=O ZINC000595242268 483725354 /nfs/dbraw/zinc/72/53/54/483725354.db2.gz OXIZBPBIZNVWKA-GWCFXTLKSA-N 0 3 364.352 -0.376 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCc4cc(F)c(F)cc43)CCN2C1=O ZINC000595242269 483724838 /nfs/dbraw/zinc/72/48/38/483724838.db2.gz OXIZBPBIZNVWKA-GXFFZTMASA-N 0 3 364.352 -0.376 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCc4cc(F)c(F)cc43)CCN2C1=O ZINC000595242270 483724792 /nfs/dbraw/zinc/72/47/92/483724792.db2.gz OXIZBPBIZNVWKA-MFKMUULPSA-N 0 3 364.352 -0.376 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCc4cc(F)c(F)cc43)CCN2C1=O ZINC000595242271 483724856 /nfs/dbraw/zinc/72/48/56/483724856.db2.gz OXIZBPBIZNVWKA-ZWNOBZJWSA-N 0 3 364.352 -0.376 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000595242286 483725182 /nfs/dbraw/zinc/72/51/82/483725182.db2.gz QFIFDBHECHBXBX-CABCVRRESA-N 0 3 359.430 -0.543 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000595242287 483725214 /nfs/dbraw/zinc/72/52/14/483725214.db2.gz QFIFDBHECHBXBX-GJZGRUSLSA-N 0 3 359.430 -0.543 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000595242288 483724877 /nfs/dbraw/zinc/72/48/77/483724877.db2.gz QFIFDBHECHBXBX-HUUCEWRRSA-N 0 3 359.430 -0.543 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000595242289 483724912 /nfs/dbraw/zinc/72/49/12/483724912.db2.gz QFIFDBHECHBXBX-LSDHHAIUSA-N 0 3 359.430 -0.543 20 0 FBADHN CCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000595242295 483725255 /nfs/dbraw/zinc/72/52/55/483725255.db2.gz RHNRUGQZYFXGLI-CABCVRRESA-N 0 3 371.441 -0.222 20 0 FBADHN CCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000595242296 483724816 /nfs/dbraw/zinc/72/48/16/483724816.db2.gz RHNRUGQZYFXGLI-GJZGRUSLSA-N 0 3 371.441 -0.222 20 0 FBADHN CCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000595242297 483724851 /nfs/dbraw/zinc/72/48/51/483724851.db2.gz RHNRUGQZYFXGLI-HUUCEWRRSA-N 0 3 371.441 -0.222 20 0 FBADHN CCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc21 ZINC000595242298 483724831 /nfs/dbraw/zinc/72/48/31/483724831.db2.gz RHNRUGQZYFXGLI-LSDHHAIUSA-N 0 3 371.441 -0.222 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000595242390 483724886 /nfs/dbraw/zinc/72/48/86/483724886.db2.gz WIHUGXXBYOXSDF-NEPJUHHUSA-N 0 3 360.370 -0.833 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000595242391 483724847 /nfs/dbraw/zinc/72/48/47/483724847.db2.gz WIHUGXXBYOXSDF-NWDGAFQWSA-N 0 3 360.370 -0.833 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000595242392 483724809 /nfs/dbraw/zinc/72/48/09/483724809.db2.gz WIHUGXXBYOXSDF-RYUDHWBXSA-N 0 3 360.370 -0.833 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000595242393 483725286 /nfs/dbraw/zinc/72/52/86/483725286.db2.gz WIHUGXXBYOXSDF-VXGBXAGGSA-N 0 3 360.370 -0.833 20 0 FBADHN COC(=O)C(C)(C)n1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000595245116 483725058 /nfs/dbraw/zinc/72/50/58/483725058.db2.gz GBKMNPSFVXOCRD-NEPJUHHUSA-N 0 3 364.406 -0.433 20 0 FBADHN COC(=O)C(C)(C)n1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000595245118 483724820 /nfs/dbraw/zinc/72/48/20/483724820.db2.gz GBKMNPSFVXOCRD-NWDGAFQWSA-N 0 3 364.406 -0.433 20 0 FBADHN COC(=O)C(C)(C)n1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000595245119 483724997 /nfs/dbraw/zinc/72/49/97/483724997.db2.gz GBKMNPSFVXOCRD-RYUDHWBXSA-N 0 3 364.406 -0.433 20 0 FBADHN COC(=O)C(C)(C)n1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000595245120 483724951 /nfs/dbraw/zinc/72/49/51/483724951.db2.gz GBKMNPSFVXOCRD-VXGBXAGGSA-N 0 3 364.406 -0.433 20 0 FBADHN COC(=O)C(C)(C)n1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n1 ZINC000595247068 484235416 /nfs/dbraw/zinc/23/54/16/484235416.db2.gz QPTSVAFRZCNSJQ-UHFFFAOYSA-N 0 3 363.378 0.067 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)c2ccccc2O1 ZINC000595247149 483724972 /nfs/dbraw/zinc/72/49/72/483724972.db2.gz BDXJMFLEAYAXQT-NDBLMLTRSA-N 0 3 359.382 -0.097 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)c2ccccc2O1 ZINC000595247150 483725301 /nfs/dbraw/zinc/72/53/01/483725301.db2.gz BDXJMFLEAYAXQT-QNNTWYEPSA-N 0 3 359.382 -0.097 20 0 FBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC3CC2(CN)C3)c1=O ZINC000595251654 483723636 /nfs/dbraw/zinc/72/36/36/483723636.db2.gz RIYXEHUBGIYDIR-UHFFFAOYSA-N 0 3 362.386 -0.700 20 0 FBADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1 ZINC000595253476 483723626 /nfs/dbraw/zinc/72/36/26/483723626.db2.gz WHUYFLLGEWUYFG-UHFFFAOYSA-N 0 3 374.397 -0.522 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000595261025 483723904 /nfs/dbraw/zinc/72/39/04/483723904.db2.gz GXJNBGBMUANHMF-KBPBESRZSA-N 0 3 351.451 -0.268 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000595261026 483723657 /nfs/dbraw/zinc/72/36/57/483723657.db2.gz GXJNBGBMUANHMF-KGLIPLIRSA-N 0 3 351.451 -0.268 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000595261027 483723879 /nfs/dbraw/zinc/72/38/79/483723879.db2.gz GXJNBGBMUANHMF-UONOGXRCSA-N 0 3 351.451 -0.268 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000595261028 483723914 /nfs/dbraw/zinc/72/39/14/483723914.db2.gz GXJNBGBMUANHMF-ZIAGYGMSSA-N 0 3 351.451 -0.268 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000595262847 483723611 /nfs/dbraw/zinc/72/36/11/483723611.db2.gz FPUIDFHETKDPKY-BXUZGUMPSA-N 0 3 371.397 -0.764 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000595262851 483723890 /nfs/dbraw/zinc/72/38/90/483723890.db2.gz FPUIDFHETKDPKY-FZMZJTMJSA-N 0 3 371.397 -0.764 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000595262852 483723784 /nfs/dbraw/zinc/72/37/84/483723784.db2.gz FPUIDFHETKDPKY-RISCZKNCSA-N 0 3 371.397 -0.764 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000595262853 483724009 /nfs/dbraw/zinc/72/40/09/483724009.db2.gz FPUIDFHETKDPKY-SMDDNHRTSA-N 0 3 371.397 -0.764 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3N3CCOCC3)CCN2C1=O ZINC000595263687 483723764 /nfs/dbraw/zinc/72/37/64/483723764.db2.gz JPBVJLWNUVCCSR-CVEARBPZSA-N 0 3 373.457 -0.023 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccccc3N3CCOCC3)CCN2C1=O ZINC000595263688 483723808 /nfs/dbraw/zinc/72/38/08/483723808.db2.gz JPBVJLWNUVCCSR-HOTGVXAUSA-N 0 3 373.457 -0.023 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccccc3N3CCOCC3)CCN2C1=O ZINC000595263689 483723840 /nfs/dbraw/zinc/72/38/40/483723840.db2.gz JPBVJLWNUVCCSR-HZPDHXFCSA-N 0 3 373.457 -0.023 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3N3CCOCC3)CCN2C1=O ZINC000595263691 483723735 /nfs/dbraw/zinc/72/37/35/483723735.db2.gz JPBVJLWNUVCCSR-JKSUJKDBSA-N 0 3 373.457 -0.023 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000595264728 483723678 /nfs/dbraw/zinc/72/36/78/483723678.db2.gz BBLWUMOXLFHXMJ-CVEARBPZSA-N 0 3 371.441 -0.475 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000595264729 483723928 /nfs/dbraw/zinc/72/39/28/483723928.db2.gz BBLWUMOXLFHXMJ-HOTGVXAUSA-N 0 3 371.441 -0.475 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000595264730 483723728 /nfs/dbraw/zinc/72/37/28/483723728.db2.gz BBLWUMOXLFHXMJ-HZPDHXFCSA-N 0 3 371.441 -0.475 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCC(=O)N3CCc4ccccc4C3)CCN2C1=O ZINC000595264731 483723643 /nfs/dbraw/zinc/72/36/43/483723643.db2.gz BBLWUMOXLFHXMJ-JKSUJKDBSA-N 0 3 371.441 -0.475 20 0 FBADHN COc1cccc2c1OC[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)C2 ZINC000595264736 483723953 /nfs/dbraw/zinc/72/39/53/483723953.db2.gz BKPYCWQZQBQWGV-HZSPNIEDSA-N 0 3 360.414 -0.048 20 0 FBADHN COc1cccc2c1OC[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)C2 ZINC000595264737 483723979 /nfs/dbraw/zinc/72/39/79/483723979.db2.gz BKPYCWQZQBQWGV-MCIONIFRSA-N 0 3 360.414 -0.048 20 0 FBADHN COc1cccc2c1OC[C@H](NC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)C2 ZINC000595264738 483723883 /nfs/dbraw/zinc/72/38/83/483723883.db2.gz BKPYCWQZQBQWGV-MGPQQGTHSA-N 0 3 360.414 -0.048 20 0 FBADHN COc1cccc2c1OC[C@H](NC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)C2 ZINC000595264739 483723632 /nfs/dbraw/zinc/72/36/32/483723632.db2.gz BKPYCWQZQBQWGV-RDBSUJKOSA-N 0 3 360.414 -0.048 20 0 FBADHN CN(C)C(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000595265819 483723849 /nfs/dbraw/zinc/72/38/49/483723849.db2.gz JOQVHSSMGKWHEX-CABCVRRESA-N 0 3 359.430 -0.158 20 0 FBADHN CN(C)C(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000595265820 483723924 /nfs/dbraw/zinc/72/39/24/483723924.db2.gz JOQVHSSMGKWHEX-GJZGRUSLSA-N 0 3 359.430 -0.158 20 0 FBADHN CN(C)C(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000595265821 483723963 /nfs/dbraw/zinc/72/39/63/483723963.db2.gz JOQVHSSMGKWHEX-HUUCEWRRSA-N 0 3 359.430 -0.158 20 0 FBADHN CN(C)C(=O)c1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000595265822 483723941 /nfs/dbraw/zinc/72/39/41/483723941.db2.gz JOQVHSSMGKWHEX-LSDHHAIUSA-N 0 3 359.430 -0.158 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CCN2C1=O ZINC000595266183 483723683 /nfs/dbraw/zinc/72/36/83/483723683.db2.gz QZMDCVPDTYTUOW-KFWWJZLASA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CCN2C1=O ZINC000595266184 483723958 /nfs/dbraw/zinc/72/39/58/483723958.db2.gz QZMDCVPDTYTUOW-RBSFLKMASA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CCN2C1=O ZINC000595266185 483724014 /nfs/dbraw/zinc/72/40/14/483724014.db2.gz QZMDCVPDTYTUOW-RRFJBIMHSA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CCN2C1=O ZINC000595266186 483723974 /nfs/dbraw/zinc/72/39/74/483723974.db2.gz QZMDCVPDTYTUOW-ZNMIVQPWSA-N 0 3 357.414 -0.255 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccnc(N4CCOCC4)c3)CCN2C1=O ZINC000595266491 483723777 /nfs/dbraw/zinc/72/37/77/483723777.db2.gz XBUNOMPDCBMESY-CABCVRRESA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccnc(N4CCOCC4)c3)CCN2C1=O ZINC000595266492 483723748 /nfs/dbraw/zinc/72/37/48/483723748.db2.gz XBUNOMPDCBMESY-GJZGRUSLSA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccnc(N4CCOCC4)c3)CCN2C1=O ZINC000595266494 483723605 /nfs/dbraw/zinc/72/36/05/483723605.db2.gz XBUNOMPDCBMESY-HUUCEWRRSA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccnc(N4CCOCC4)c3)CCN2C1=O ZINC000595266495 483723819 /nfs/dbraw/zinc/72/38/19/483723819.db2.gz XBUNOMPDCBMESY-LSDHHAIUSA-N 0 3 374.445 -0.628 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CCN2C1=O ZINC000595266580 483728071 /nfs/dbraw/zinc/72/80/71/483728071.db2.gz XDHFSTKYWJOTND-AEJSXWLSSA-N 0 3 363.340 -0.897 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CCN2C1=O ZINC000595266581 483727681 /nfs/dbraw/zinc/72/76/81/483727681.db2.gz XDHFSTKYWJOTND-BBBLOLIVSA-N 0 3 363.340 -0.897 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CCN2C1=O ZINC000595266582 483728037 /nfs/dbraw/zinc/72/80/37/483728037.db2.gz XDHFSTKYWJOTND-IVZWLZJFSA-N 0 3 363.340 -0.897 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CCN2C1=O ZINC000595266583 483728076 /nfs/dbraw/zinc/72/80/76/483728076.db2.gz XDHFSTKYWJOTND-OPRDCNLKSA-N 0 3 363.340 -0.897 20 0 FBADHN Cn1c2ccccc2cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1=O ZINC000595267250 483725197 /nfs/dbraw/zinc/72/51/97/483725197.db2.gz UGKOQUKKFCQQJD-CABCVRRESA-N 0 3 369.425 -0.008 20 0 FBADHN Cn1c2ccccc2cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1=O ZINC000595267257 483725083 /nfs/dbraw/zinc/72/50/83/483725083.db2.gz UGKOQUKKFCQQJD-GJZGRUSLSA-N 0 3 369.425 -0.008 20 0 FBADHN Cn1c2ccccc2cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1=O ZINC000595267259 483725227 /nfs/dbraw/zinc/72/52/27/483725227.db2.gz UGKOQUKKFCQQJD-HUUCEWRRSA-N 0 3 369.425 -0.008 20 0 FBADHN Cn1c2ccccc2cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1=O ZINC000595267262 483725248 /nfs/dbraw/zinc/72/52/48/483725248.db2.gz UGKOQUKKFCQQJD-LSDHHAIUSA-N 0 3 369.425 -0.008 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ncn(-c4ccccc4)n3)CCN2C1=O ZINC000595267360 483724940 /nfs/dbraw/zinc/72/49/40/483724940.db2.gz ZSJZDTQVVNLDBI-KBPBESRZSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ncn(-c4ccccc4)n3)CCN2C1=O ZINC000595267361 483725076 /nfs/dbraw/zinc/72/50/76/483725076.db2.gz ZSJZDTQVVNLDBI-KGLIPLIRSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ncn(-c4ccccc4)n3)CCN2C1=O ZINC000595267362 483725039 /nfs/dbraw/zinc/72/50/39/483725039.db2.gz ZSJZDTQVVNLDBI-UONOGXRCSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ncn(-c4ccccc4)n3)CCN2C1=O ZINC000595267363 483725135 /nfs/dbraw/zinc/72/51/35/483725135.db2.gz ZSJZDTQVVNLDBI-ZIAGYGMSSA-N 0 3 355.402 -0.279 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)CCN2C1=O ZINC000595267878 483725330 /nfs/dbraw/zinc/72/53/30/483725330.db2.gz DPHHHHWBABCLFX-MBNYWOFBSA-N 0 3 362.409 -0.247 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(c4ncccc4F)C3)CCN2C1=O ZINC000595268208 483725269 /nfs/dbraw/zinc/72/52/69/483725269.db2.gz DPHHHHWBABCLFX-OUCADQQQSA-N 0 3 362.409 -0.247 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(c4ncccc4F)C3)CCN2C1=O ZINC000595268209 483725348 /nfs/dbraw/zinc/72/53/48/483725348.db2.gz DPHHHHWBABCLFX-SGMGOOAPSA-N 0 3 362.409 -0.247 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)CCN2C1=O ZINC000595268210 483725309 /nfs/dbraw/zinc/72/53/09/483725309.db2.gz DPHHHHWBABCLFX-YRGRVCCFSA-N 0 3 362.409 -0.247 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(C4CCCCC4)C3=O)CCN2C1=O ZINC000595268679 483724804 /nfs/dbraw/zinc/72/48/04/483724804.db2.gz MCGRZQHPXQKECJ-KFWWJZLASA-N 0 3 363.462 -0.127 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)CCN2C1=O ZINC000595268680 483725089 /nfs/dbraw/zinc/72/50/89/483725089.db2.gz MCGRZQHPXQKECJ-RBSFLKMASA-N 0 3 363.462 -0.127 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)CCN2C1=O ZINC000595268681 483724903 /nfs/dbraw/zinc/72/49/03/483724903.db2.gz MCGRZQHPXQKECJ-RRFJBIMHSA-N 0 3 363.462 -0.127 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(C4CCCCC4)C3=O)CCN2C1=O ZINC000595268682 483725128 /nfs/dbraw/zinc/72/51/28/483725128.db2.gz MCGRZQHPXQKECJ-ZNMIVQPWSA-N 0 3 363.462 -0.127 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000595268695 483725119 /nfs/dbraw/zinc/72/51/19/483725119.db2.gz MJTUKMKPTARJFT-QLFBSQMISA-N 0 3 363.462 -0.269 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000595268696 483725019 /nfs/dbraw/zinc/72/50/19/483725019.db2.gz MJTUKMKPTARJFT-RBSFLKMASA-N 0 3 363.462 -0.269 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000595268697 483724991 /nfs/dbraw/zinc/72/49/91/483724991.db2.gz MJTUKMKPTARJFT-RRFJBIMHSA-N 0 3 363.462 -0.269 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000595268698 483724907 /nfs/dbraw/zinc/72/49/07/483724907.db2.gz MJTUKMKPTARJFT-SOUVJXGZSA-N 0 3 363.462 -0.269 20 0 FBADHN CS(=O)(=O)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCCC1 ZINC000595269422 483725103 /nfs/dbraw/zinc/72/51/03/483725103.db2.gz KVJRAGFASCSGED-CHWSQXEVSA-N 0 3 372.491 -0.313 20 0 FBADHN CS(=O)(=O)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCCC1 ZINC000595269423 483725078 /nfs/dbraw/zinc/72/50/78/483725078.db2.gz KVJRAGFASCSGED-OLZOCXBDSA-N 0 3 372.491 -0.313 20 0 FBADHN CS(=O)(=O)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCCC1 ZINC000595269424 483724947 /nfs/dbraw/zinc/72/49/47/483724947.db2.gz KVJRAGFASCSGED-QWHCGFSZSA-N 0 3 372.491 -0.313 20 0 FBADHN CS(=O)(=O)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCCC1 ZINC000595269425 483724965 /nfs/dbraw/zinc/72/49/65/483724965.db2.gz KVJRAGFASCSGED-STQMWFEESA-N 0 3 372.491 -0.313 20 0 FBADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595270104 483725274 /nfs/dbraw/zinc/72/52/74/483725274.db2.gz CBWBCLBGDXOHLD-FPMFFAJLSA-N 0 3 359.430 -0.284 20 0 FBADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595270108 483725205 /nfs/dbraw/zinc/72/52/05/483725205.db2.gz CBWBCLBGDXOHLD-IACUBPJLSA-N 0 3 359.430 -0.284 20 0 FBADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595270109 483724781 /nfs/dbraw/zinc/72/47/81/483724781.db2.gz CBWBCLBGDXOHLD-KWCYVHTRSA-N 0 3 359.430 -0.284 20 0 FBADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595270110 483724763 /nfs/dbraw/zinc/72/47/63/483724763.db2.gz CBWBCLBGDXOHLD-MRVWCRGKSA-N 0 3 359.430 -0.284 20 0 FBADHN C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595271173 483725242 /nfs/dbraw/zinc/72/52/42/483725242.db2.gz IONIEBJRMMWIKB-MRLBHPIUSA-N 0 3 353.467 -0.563 20 0 FBADHN C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595271174 483724929 /nfs/dbraw/zinc/72/49/29/483724929.db2.gz IONIEBJRMMWIKB-NIFZNCRKSA-N 0 3 353.467 -0.563 20 0 FBADHN C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595271175 483725013 /nfs/dbraw/zinc/72/50/13/483725013.db2.gz IONIEBJRMMWIKB-QMIVOQANSA-N 0 3 353.467 -0.563 20 0 FBADHN C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595271177 483724983 /nfs/dbraw/zinc/72/49/83/483724983.db2.gz IONIEBJRMMWIKB-UXXRCYHCSA-N 0 3 353.467 -0.563 20 0 FBADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)n[nH]1 ZINC000595273440 483725045 /nfs/dbraw/zinc/72/50/45/483725045.db2.gz CWVFVMBQKQIMJM-KBPBESRZSA-N 0 3 361.450 -0.360 20 0 FBADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)n[nH]1 ZINC000595273441 483725222 /nfs/dbraw/zinc/72/52/22/483725222.db2.gz CWVFVMBQKQIMJM-KGLIPLIRSA-N 0 3 361.450 -0.360 20 0 FBADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)n[nH]1 ZINC000595273442 483724771 /nfs/dbraw/zinc/72/47/71/483724771.db2.gz CWVFVMBQKQIMJM-UONOGXRCSA-N 0 3 361.450 -0.360 20 0 FBADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)n[nH]1 ZINC000595273443 483725065 /nfs/dbraw/zinc/72/50/65/483725065.db2.gz CWVFVMBQKQIMJM-ZIAGYGMSSA-N 0 3 361.450 -0.360 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CCN2C1=O ZINC000595273910 483724868 /nfs/dbraw/zinc/72/48/68/483724868.db2.gz QSDWONPSLVIUJM-BFHYXJOUSA-N 0 3 364.450 -0.770 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CCN2C1=O ZINC000595273911 483724835 /nfs/dbraw/zinc/72/48/35/483724835.db2.gz QSDWONPSLVIUJM-HZSPNIEDSA-N 0 3 364.450 -0.770 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CCN2C1=O ZINC000595273912 483724960 /nfs/dbraw/zinc/72/49/60/483724960.db2.gz QSDWONPSLVIUJM-MELADBBJSA-N 0 3 364.450 -0.770 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CCN2C1=O ZINC000595273913 483725002 /nfs/dbraw/zinc/72/50/02/483725002.db2.gz QSDWONPSLVIUJM-MGPQQGTHSA-N 0 3 364.450 -0.770 20 0 FBADHN CC(C)(C)N1C[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1=O ZINC000595274363 483725567 /nfs/dbraw/zinc/72/55/67/483725567.db2.gz WTXWFKWBEZGFCD-AVGNSLFASA-N 0 3 351.451 -0.413 20 0 FBADHN CC(C)(C)N1C[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1=O ZINC000595274366 483725669 /nfs/dbraw/zinc/72/56/69/483725669.db2.gz WTXWFKWBEZGFCD-RWMBFGLXSA-N 0 3 351.451 -0.413 20 0 FBADHN CC(C)(C)N1C[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1=O ZINC000595274370 483725502 /nfs/dbraw/zinc/72/55/02/483725502.db2.gz WTXWFKWBEZGFCD-XQQFMLRXSA-N 0 3 351.451 -0.413 20 0 FBADHN CC(C)(C)N1C[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1=O ZINC000595274374 483725640 /nfs/dbraw/zinc/72/56/40/483725640.db2.gz WTXWFKWBEZGFCD-YNEHKIRRSA-N 0 3 351.451 -0.413 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C12CCOCC2 ZINC000595274507 483725625 /nfs/dbraw/zinc/72/56/25/483725625.db2.gz YXWGINNWAFLYBO-APIJFGDWSA-N 0 3 366.462 -0.086 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C12CCOCC2 ZINC000595274523 483725629 /nfs/dbraw/zinc/72/56/29/483725629.db2.gz YXWGINNWAFLYBO-CBBWQLFWSA-N 0 3 366.462 -0.086 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C12CCOCC2 ZINC000595274525 483725622 /nfs/dbraw/zinc/72/56/22/483725622.db2.gz YXWGINNWAFLYBO-LJISPDSOSA-N 0 3 366.462 -0.086 20 0 FBADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C12CCOCC2 ZINC000595274528 483725674 /nfs/dbraw/zinc/72/56/74/483725674.db2.gz YXWGINNWAFLYBO-ZQDZILKHSA-N 0 3 366.462 -0.086 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000595274822 483725696 /nfs/dbraw/zinc/72/56/96/483725696.db2.gz ARYRKRAHOOVSJB-UHFFFAOYSA-N 0 3 366.422 -0.580 20 0 FBADHN COC(=O)CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000595275109 483725802 /nfs/dbraw/zinc/72/58/02/483725802.db2.gz GZCPRRNMTPCENY-LLVKDONJSA-N 0 3 366.422 -0.580 20 0 FBADHN COC(=O)CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)C1 ZINC000595275110 483725573 /nfs/dbraw/zinc/72/55/73/483725573.db2.gz GZCPRRNMTPCENY-NSHDSACASA-N 0 3 366.422 -0.580 20 0 FBADHN CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595275328 483725526 /nfs/dbraw/zinc/72/55/26/483725526.db2.gz KDPIMYFWEHERKQ-NEPJUHHUSA-N 0 3 367.406 -0.107 20 0 FBADHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595275329 483725751 /nfs/dbraw/zinc/72/57/51/483725751.db2.gz KDPIMYFWEHERKQ-NWDGAFQWSA-N 0 3 367.406 -0.107 20 0 FBADHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595275330 483725549 /nfs/dbraw/zinc/72/55/49/483725549.db2.gz KDPIMYFWEHERKQ-RYUDHWBXSA-N 0 3 367.406 -0.107 20 0 FBADHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595275331 483725857 /nfs/dbraw/zinc/72/58/57/483725857.db2.gz KDPIMYFWEHERKQ-VXGBXAGGSA-N 0 3 367.406 -0.107 20 0 FBADHN Cc1nc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cs1 ZINC000595275834 483725760 /nfs/dbraw/zinc/72/57/60/483725760.db2.gz AZKJYBBMDIKLEG-GDPRMGEGSA-N 0 3 351.432 -0.601 20 0 FBADHN Cc1nc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cs1 ZINC000595275835 483725609 /nfs/dbraw/zinc/72/56/09/483725609.db2.gz AZKJYBBMDIKLEG-INTQDDNPSA-N 0 3 351.432 -0.601 20 0 FBADHN Cc1nc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cs1 ZINC000595275836 483725764 /nfs/dbraw/zinc/72/57/64/483725764.db2.gz AZKJYBBMDIKLEG-JMJZKYOTSA-N 0 3 351.432 -0.601 20 0 FBADHN Cc1nc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cs1 ZINC000595275837 483725583 /nfs/dbraw/zinc/72/55/83/483725583.db2.gz AZKJYBBMDIKLEG-LSJOCFKGSA-N 0 3 351.432 -0.601 20 0 FBADHN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595275853 483725576 /nfs/dbraw/zinc/72/55/76/483725576.db2.gz CLXLTCQLHSBXMT-BPUTZDHNSA-N 0 3 358.442 -0.187 20 0 FBADHN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595275854 483725600 /nfs/dbraw/zinc/72/56/00/483725600.db2.gz CLXLTCQLHSBXMT-CWRNSKLLSA-N 0 3 358.442 -0.187 20 0 FBADHN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595275855 483725644 /nfs/dbraw/zinc/72/56/44/483725644.db2.gz CLXLTCQLHSBXMT-IMJJTQAJSA-N 0 3 358.442 -0.187 20 0 FBADHN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595275856 483725510 /nfs/dbraw/zinc/72/55/10/483725510.db2.gz CLXLTCQLHSBXMT-NUEKZKHPSA-N 0 3 358.442 -0.187 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccncc1 ZINC000595275876 483725533 /nfs/dbraw/zinc/72/55/33/483725533.db2.gz DHNIEJDQTGCMBD-KBPBESRZSA-N 0 3 359.430 -0.754 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccncc1 ZINC000595275877 483725817 /nfs/dbraw/zinc/72/58/17/483725817.db2.gz DHNIEJDQTGCMBD-KGLIPLIRSA-N 0 3 359.430 -0.754 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccncc1 ZINC000595275878 483725545 /nfs/dbraw/zinc/72/55/45/483725545.db2.gz DHNIEJDQTGCMBD-UONOGXRCSA-N 0 3 359.430 -0.754 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccncc1 ZINC000595275879 483725590 /nfs/dbraw/zinc/72/55/90/483725590.db2.gz DHNIEJDQTGCMBD-ZIAGYGMSSA-N 0 3 359.430 -0.754 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000595275917 483725518 /nfs/dbraw/zinc/72/55/18/483725518.db2.gz FPXBYBHCGKXRKI-CWRNSKLLSA-N 0 3 371.441 -0.848 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000595275918 483725658 /nfs/dbraw/zinc/72/56/58/483725658.db2.gz FPXBYBHCGKXRKI-FVQBIDKESA-N 0 3 371.441 -0.848 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000595275919 483725606 /nfs/dbraw/zinc/72/56/06/483725606.db2.gz FPXBYBHCGKXRKI-NUEKZKHPSA-N 0 3 371.441 -0.848 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3)CCN2C1=O ZINC000595275920 483725734 /nfs/dbraw/zinc/72/57/34/483725734.db2.gz FPXBYBHCGKXRKI-VNQPRFMTSA-N 0 3 371.441 -0.848 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000595276136 483725851 /nfs/dbraw/zinc/72/58/51/483725851.db2.gz HCTSPTNTCVQLAA-CHIMOYNISA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000595276137 483725569 /nfs/dbraw/zinc/72/55/69/483725569.db2.gz HCTSPTNTCVQLAA-DRCTWCGVSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000595276138 483725514 /nfs/dbraw/zinc/72/55/14/483725514.db2.gz HCTSPTNTCVQLAA-NURSFMCSSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000595276139 483725619 /nfs/dbraw/zinc/72/56/19/483725619.db2.gz HCTSPTNTCVQLAA-PXWWUCIGSA-N 0 3 366.368 -0.088 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCOc4ccccc43)CCN2C1=O ZINC000595276182 483725726 /nfs/dbraw/zinc/72/57/26/483725726.db2.gz KLMSBDPJAOWSNZ-BNOWGMLFSA-N 0 3 358.398 -0.603 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCOc4ccccc43)CCN2C1=O ZINC000595276183 483725720 /nfs/dbraw/zinc/72/57/20/483725720.db2.gz KLMSBDPJAOWSNZ-IACUBPJLSA-N 0 3 358.398 -0.603 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCOc4ccccc43)CCN2C1=O ZINC000595276184 483725678 /nfs/dbraw/zinc/72/56/78/483725678.db2.gz KLMSBDPJAOWSNZ-MRVWCRGKSA-N 0 3 358.398 -0.603 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCOc4ccccc43)CCN2C1=O ZINC000595276185 483725558 /nfs/dbraw/zinc/72/55/58/483725558.db2.gz KLMSBDPJAOWSNZ-YUTCNCBUSA-N 0 3 358.398 -0.603 20 0 FBADHN COCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccco1 ZINC000595276222 483725497 /nfs/dbraw/zinc/72/54/97/483725497.db2.gz LXRBRMXSEPRUFY-AGIUHOORSA-N 0 3 364.402 -0.756 20 0 FBADHN COCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccco1 ZINC000595276224 483725769 /nfs/dbraw/zinc/72/57/69/483725769.db2.gz LXRBRMXSEPRUFY-AVGNSLFASA-N 0 3 364.402 -0.756 20 0 FBADHN COCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccco1 ZINC000595276225 483725492 /nfs/dbraw/zinc/72/54/92/483725492.db2.gz LXRBRMXSEPRUFY-UPJWGTAASA-N 0 3 364.402 -0.756 20 0 FBADHN COCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccco1 ZINC000595276226 483725648 /nfs/dbraw/zinc/72/56/48/483725648.db2.gz LXRBRMXSEPRUFY-XQQFMLRXSA-N 0 3 364.402 -0.756 20 0 FBADHN COc1cccc2c1C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)C2 ZINC000595276528 483725776 /nfs/dbraw/zinc/72/57/76/483725776.db2.gz POOVRUWSGYXTPB-IPYPFGDCSA-N 0 3 372.425 -0.951 20 0 FBADHN COc1cccc2c1C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)C2 ZINC000595276529 483725782 /nfs/dbraw/zinc/72/57/82/483725782.db2.gz POOVRUWSGYXTPB-NFAWXSAZSA-N 0 3 372.425 -0.951 20 0 FBADHN COc1cccc2c1C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)C2 ZINC000595276530 483725836 /nfs/dbraw/zinc/72/58/36/483725836.db2.gz POOVRUWSGYXTPB-UMVBOHGHSA-N 0 3 372.425 -0.951 20 0 FBADHN COc1cccc2c1C[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)C2 ZINC000595276531 483725586 /nfs/dbraw/zinc/72/55/86/483725586.db2.gz POOVRUWSGYXTPB-VNHYZAJKSA-N 0 3 372.425 -0.951 20 0 FBADHN Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595276539 483725565 /nfs/dbraw/zinc/72/55/65/483725565.db2.gz PZNBPIXZFPORLB-CABCVRRESA-N 0 3 362.405 -0.437 20 0 FBADHN Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595276540 483725652 /nfs/dbraw/zinc/72/56/52/483725652.db2.gz PZNBPIXZFPORLB-GJZGRUSLSA-N 0 3 362.405 -0.437 20 0 FBADHN Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595276541 483725813 /nfs/dbraw/zinc/72/58/13/483725813.db2.gz PZNBPIXZFPORLB-HUUCEWRRSA-N 0 3 362.405 -0.437 20 0 FBADHN Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595276542 483725683 /nfs/dbraw/zinc/72/56/83/483725683.db2.gz PZNBPIXZFPORLB-LSDHHAIUSA-N 0 3 362.405 -0.437 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCCC34CCOCC4)CCN2C1=O ZINC000595276682 483725506 /nfs/dbraw/zinc/72/55/06/483725506.db2.gz RWGXJPJWOCFPGL-BFHYXJOUSA-N 0 3 364.446 -0.778 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC34CCOCC4)CCN2C1=O ZINC000595276683 483725542 /nfs/dbraw/zinc/72/55/42/483725542.db2.gz RWGXJPJWOCFPGL-MCIONIFRSA-N 0 3 364.446 -0.778 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC34CCOCC4)CCN2C1=O ZINC000595276684 483725562 /nfs/dbraw/zinc/72/55/62/483725562.db2.gz RWGXJPJWOCFPGL-MGPQQGTHSA-N 0 3 364.446 -0.778 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCCC34CCOCC4)CCN2C1=O ZINC000595276685 483725538 /nfs/dbraw/zinc/72/55/38/483725538.db2.gz RWGXJPJWOCFPGL-MJBXVCDLSA-N 0 3 364.446 -0.778 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCc4ccccc4C3)CCN2C1=O ZINC000595277126 483725830 /nfs/dbraw/zinc/72/58/30/483725830.db2.gz CFTUNDAYYXAREO-IAOVAPTHSA-N 0 3 370.453 -0.322 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCc4ccccc4C3)CCN2C1=O ZINC000595277127 483725636 /nfs/dbraw/zinc/72/56/36/483725636.db2.gz CFTUNDAYYXAREO-KBRIMQKVSA-N 0 3 370.453 -0.322 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CCc4ccccc4C3)CCN2C1=O ZINC000595277128 483725744 /nfs/dbraw/zinc/72/57/44/483725744.db2.gz CFTUNDAYYXAREO-RRQGHBQHSA-N 0 3 370.453 -0.322 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCc4ccccc4C3)CCN2C1=O ZINC000595277129 483725578 /nfs/dbraw/zinc/72/55/78/483725578.db2.gz CFTUNDAYYXAREO-XOKHGSTOSA-N 0 3 370.453 -0.322 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc(F)cc(F)c3)CCN2C1=O ZINC000595277131 483725704 /nfs/dbraw/zinc/72/57/04/483725704.db2.gz CPLLBVZRHWQCQZ-CHWSQXEVSA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc(F)cc(F)c3)CCN2C1=O ZINC000595277132 483726161 /nfs/dbraw/zinc/72/61/61/483726161.db2.gz CPLLBVZRHWQCQZ-OLZOCXBDSA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc(F)cc(F)c3)CCN2C1=O ZINC000595277133 483726553 /nfs/dbraw/zinc/72/65/53/483726553.db2.gz CPLLBVZRHWQCQZ-QWHCGFSZSA-N 0 3 352.341 -0.649 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc(F)cc(F)c3)CCN2C1=O ZINC000595277134 483726207 /nfs/dbraw/zinc/72/62/07/483726207.db2.gz CPLLBVZRHWQCQZ-STQMWFEESA-N 0 3 352.341 -0.649 20 0 FBADHN CCOc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595277196 483726210 /nfs/dbraw/zinc/72/62/10/483726210.db2.gz GNZWLZVHYXPPET-KBPBESRZSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595277197 483726531 /nfs/dbraw/zinc/72/65/31/483726531.db2.gz GNZWLZVHYXPPET-KGLIPLIRSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595277198 483726425 /nfs/dbraw/zinc/72/64/25/483726425.db2.gz GNZWLZVHYXPPET-UONOGXRCSA-N 0 3 360.414 -0.528 20 0 FBADHN CCOc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595277199 483726270 /nfs/dbraw/zinc/72/62/70/483726270.db2.gz GNZWLZVHYXPPET-ZIAGYGMSSA-N 0 3 360.414 -0.528 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cn3)CCN2C1=O ZINC000595277707 483726149 /nfs/dbraw/zinc/72/61/49/483726149.db2.gz NDMLIBDJWIEAND-NEPJUHHUSA-N 0 3 351.794 -0.878 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cn3)CCN2C1=O ZINC000595277708 483726175 /nfs/dbraw/zinc/72/61/75/483726175.db2.gz NDMLIBDJWIEAND-NWDGAFQWSA-N 0 3 351.794 -0.878 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cn3)CCN2C1=O ZINC000595277709 483726377 /nfs/dbraw/zinc/72/63/77/483726377.db2.gz NDMLIBDJWIEAND-RYUDHWBXSA-N 0 3 351.794 -0.878 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cn3)CCN2C1=O ZINC000595277710 483726578 /nfs/dbraw/zinc/72/65/78/483726578.db2.gz NDMLIBDJWIEAND-VXGBXAGGSA-N 0 3 351.794 -0.878 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCc3ccccc3)CCN2C1=O ZINC000595277786 483726421 /nfs/dbraw/zinc/72/64/21/483726421.db2.gz RMCYTLPUCLMVPN-CVEARBPZSA-N 0 3 358.442 -0.104 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCCc3ccccc3)CCN2C1=O ZINC000595277787 483726295 /nfs/dbraw/zinc/72/62/95/483726295.db2.gz RMCYTLPUCLMVPN-HOTGVXAUSA-N 0 3 358.442 -0.104 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCc3ccccc3)CCN2C1=O ZINC000595277788 483726526 /nfs/dbraw/zinc/72/65/26/483726526.db2.gz RMCYTLPUCLMVPN-HZPDHXFCSA-N 0 3 358.442 -0.104 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCCc3ccccc3)CCN2C1=O ZINC000595277789 483726475 /nfs/dbraw/zinc/72/64/75/483726475.db2.gz RMCYTLPUCLMVPN-JKSUJKDBSA-N 0 3 358.442 -0.104 20 0 FBADHN COCc1csc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000595278329 483726273 /nfs/dbraw/zinc/72/62/73/483726273.db2.gz MEDZCBQVJGSNEF-AAEUAGOBSA-N 0 3 366.443 -0.719 20 0 FBADHN COCc1csc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000595278330 483726260 /nfs/dbraw/zinc/72/62/60/483726260.db2.gz MEDZCBQVJGSNEF-DGCLKSJQSA-N 0 3 366.443 -0.719 20 0 FBADHN COCc1csc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000595278331 483726290 /nfs/dbraw/zinc/72/62/90/483726290.db2.gz MEDZCBQVJGSNEF-WCQYABFASA-N 0 3 366.443 -0.719 20 0 FBADHN COCc1csc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000595278332 483726180 /nfs/dbraw/zinc/72/61/80/483726180.db2.gz MEDZCBQVJGSNEF-YPMHNXCESA-N 0 3 366.443 -0.719 20 0 FBADHN COc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000595278857 483726304 /nfs/dbraw/zinc/72/63/04/483726304.db2.gz XVKFGIKACNYCCT-CORIIIEPSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000595278858 483726166 /nfs/dbraw/zinc/72/61/66/483726166.db2.gz XVKFGIKACNYCCT-LNSITVRQSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000595278859 483726196 /nfs/dbraw/zinc/72/61/96/483726196.db2.gz XVKFGIKACNYCCT-NJZAAPMLSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000595278860 483726383 /nfs/dbraw/zinc/72/63/83/483726383.db2.gz XVKFGIKACNYCCT-WHOFXGATSA-N 0 3 360.414 -0.357 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccnc1 ZINC000595278869 483726140 /nfs/dbraw/zinc/72/61/40/483726140.db2.gz YTTUXBIDGPBFQX-KBPBESRZSA-N 0 3 359.430 -0.754 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccnc1 ZINC000595278870 483726560 /nfs/dbraw/zinc/72/65/60/483726560.db2.gz YTTUXBIDGPBFQX-KGLIPLIRSA-N 0 3 359.430 -0.754 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccnc1 ZINC000595278871 483726436 /nfs/dbraw/zinc/72/64/36/483726436.db2.gz YTTUXBIDGPBFQX-UONOGXRCSA-N 0 3 359.430 -0.754 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccnc1 ZINC000595278872 483726508 /nfs/dbraw/zinc/72/65/08/483726508.db2.gz YTTUXBIDGPBFQX-ZIAGYGMSSA-N 0 3 359.430 -0.754 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCC1 ZINC000595279181 483726247 /nfs/dbraw/zinc/72/62/47/483726247.db2.gz XHGXAOJADSUQQF-BFHYXJOUSA-N 0 3 352.435 -0.922 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCC1 ZINC000595279182 483726344 /nfs/dbraw/zinc/72/63/44/483726344.db2.gz XHGXAOJADSUQQF-HZSPNIEDSA-N 0 3 352.435 -0.922 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCC1 ZINC000595279183 483726170 /nfs/dbraw/zinc/72/61/70/483726170.db2.gz XHGXAOJADSUQQF-MELADBBJSA-N 0 3 352.435 -0.922 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCC1 ZINC000595279184 483726518 /nfs/dbraw/zinc/72/65/18/483726518.db2.gz XHGXAOJADSUQQF-MGPQQGTHSA-N 0 3 352.435 -0.922 20 0 FBADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H]1OC ZINC000595279585 483726497 /nfs/dbraw/zinc/72/64/97/483726497.db2.gz OGXDYHPHTFYODL-AAVRWANBSA-N 0 3 366.462 -0.533 20 0 FBADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H]1OC ZINC000595279586 483726205 /nfs/dbraw/zinc/72/62/05/483726205.db2.gz OGXDYHPHTFYODL-DGAVXFQQSA-N 0 3 366.462 -0.533 20 0 FBADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H]1OC ZINC000595279587 483726364 /nfs/dbraw/zinc/72/63/64/483726364.db2.gz OGXDYHPHTFYODL-REWJHTLYSA-N 0 3 366.462 -0.533 20 0 FBADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H]1OC ZINC000595279589 483726523 /nfs/dbraw/zinc/72/65/23/483726523.db2.gz OGXDYHPHTFYODL-SYQHCUMBSA-N 0 3 366.462 -0.533 20 0 FBADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000595279590 483726391 /nfs/dbraw/zinc/72/63/91/483726391.db2.gz OHFOACLEZQVLHV-FMKPAKJESA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000595279593 483726541 /nfs/dbraw/zinc/72/65/41/483726541.db2.gz OHFOACLEZQVLHV-IIAWOOMASA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000595279594 483726413 /nfs/dbraw/zinc/72/64/13/483726413.db2.gz OHFOACLEZQVLHV-IJEWVQPXSA-N 0 3 374.441 -0.351 20 0 FBADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000595279596 483726251 /nfs/dbraw/zinc/72/62/51/483726251.db2.gz OHFOACLEZQVLHV-YCPHGPKFSA-N 0 3 374.441 -0.351 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3c(F)cccc3F)CCN2C1=O ZINC000595279601 483726314 /nfs/dbraw/zinc/72/63/14/483726314.db2.gz OVYKLQNASPGXCB-HZMBPMFUSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3c(F)cccc3F)CCN2C1=O ZINC000595279602 483726277 /nfs/dbraw/zinc/72/62/77/483726277.db2.gz OVYKLQNASPGXCB-IINYFYTJSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3c(F)cccc3F)CCN2C1=O ZINC000595279603 483726110 /nfs/dbraw/zinc/72/61/10/483726110.db2.gz OVYKLQNASPGXCB-QMTHXVAHSA-N 0 3 366.368 -0.606 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3c(F)cccc3F)CCN2C1=O ZINC000595279604 483726337 /nfs/dbraw/zinc/72/63/37/483726337.db2.gz OVYKLQNASPGXCB-YGRLFVJLSA-N 0 3 366.368 -0.606 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cc(F)ccc1F ZINC000595279765 483726113 /nfs/dbraw/zinc/72/61/13/483726113.db2.gz SRUZSYQMGZPIAX-CHIMOYNISA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cc(F)ccc1F ZINC000595279766 483726350 /nfs/dbraw/zinc/72/63/50/483726350.db2.gz SRUZSYQMGZPIAX-DRCTWCGVSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cc(F)ccc1F ZINC000595279767 483726548 /nfs/dbraw/zinc/72/65/48/483726548.db2.gz SRUZSYQMGZPIAX-NURSFMCSSA-N 0 3 366.368 -0.088 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cc(F)ccc1F ZINC000595279768 483726185 /nfs/dbraw/zinc/72/61/85/483726185.db2.gz SRUZSYQMGZPIAX-PXWWUCIGSA-N 0 3 366.368 -0.088 20 0 FBADHN COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000595280413 483726202 /nfs/dbraw/zinc/72/62/02/483726202.db2.gz BIERDSQCTNYZNZ-INIZCTEOSA-N 0 3 365.390 -0.941 20 0 FBADHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000595280414 483726369 /nfs/dbraw/zinc/72/63/69/483726369.db2.gz BIERDSQCTNYZNZ-MRXNPFEDSA-N 0 3 365.390 -0.941 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C ZINC000595280877 483726104 /nfs/dbraw/zinc/72/61/04/483726104.db2.gz DSVNPQACWSRSMP-KBPBESRZSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1C ZINC000595280878 483726118 /nfs/dbraw/zinc/72/61/18/483726118.db2.gz DSVNPQACWSRSMP-KGLIPLIRSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C ZINC000595280879 483726564 /nfs/dbraw/zinc/72/65/64/483726564.db2.gz DSVNPQACWSRSMP-UONOGXRCSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C ZINC000595280880 483726571 /nfs/dbraw/zinc/72/65/71/483726571.db2.gz DSVNPQACWSRSMP-ZIAGYGMSSA-N 0 3 360.414 -0.610 20 0 FBADHN C[C@H](COCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595281035 483726254 /nfs/dbraw/zinc/72/62/54/483726254.db2.gz DXAFCSBPWQARJT-BMFZPTHFSA-N 0 3 374.441 -0.522 20 0 FBADHN C[C@H](COCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595281036 483726198 /nfs/dbraw/zinc/72/61/98/483726198.db2.gz DXAFCSBPWQARJT-FVQBIDKESA-N 0 3 374.441 -0.522 20 0 FBADHN C[C@H](COCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595281039 483726216 /nfs/dbraw/zinc/72/62/16/483726216.db2.gz DXAFCSBPWQARJT-KBMXLJTQSA-N 0 3 374.441 -0.522 20 0 FBADHN C[C@H](COCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595281040 483726200 /nfs/dbraw/zinc/72/62/00/483726200.db2.gz DXAFCSBPWQARJT-VNQPRFMTSA-N 0 3 374.441 -0.522 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CC2 ZINC000595281297 483726397 /nfs/dbraw/zinc/72/63/97/483726397.db2.gz HBDVYCFOEFBUKW-CWRNSKLLSA-N 0 3 356.426 -0.131 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CC2 ZINC000595281298 483726267 /nfs/dbraw/zinc/72/62/67/483726267.db2.gz HBDVYCFOEFBUKW-FVQBIDKESA-N 0 3 356.426 -0.131 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CC2 ZINC000595281299 483726402 /nfs/dbraw/zinc/72/64/02/483726402.db2.gz HBDVYCFOEFBUKW-NUEKZKHPSA-N 0 3 356.426 -0.131 20 0 FBADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CC2 ZINC000595281300 483726194 /nfs/dbraw/zinc/72/61/94/483726194.db2.gz HBDVYCFOEFBUKW-VNQPRFMTSA-N 0 3 356.426 -0.131 20 0 FBADHN COc1c(C)cccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595281362 483726281 /nfs/dbraw/zinc/72/62/81/483726281.db2.gz AAKPHNOPOFMUEN-KBPBESRZSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1c(C)cccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595281363 483726097 /nfs/dbraw/zinc/72/60/97/483726097.db2.gz AAKPHNOPOFMUEN-KGLIPLIRSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1c(C)cccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595281364 483726258 /nfs/dbraw/zinc/72/62/58/483726258.db2.gz AAKPHNOPOFMUEN-UONOGXRCSA-N 0 3 360.414 -0.610 20 0 FBADHN COc1c(C)cccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595281365 483726320 /nfs/dbraw/zinc/72/63/20/483726320.db2.gz AAKPHNOPOFMUEN-ZIAGYGMSSA-N 0 3 360.414 -0.610 20 0 FBADHN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000595281518 483726242 /nfs/dbraw/zinc/72/62/42/483726242.db2.gz MEIXVAMIRBTUJN-JTQLQIEISA-N 0 3 365.390 -0.941 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000595281520 483726222 /nfs/dbraw/zinc/72/62/22/483726222.db2.gz MEIXVAMIRBTUJN-SNVBAGLBSA-N 0 3 365.390 -0.941 20 0 FBADHN COc1ccccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595281920 483726535 /nfs/dbraw/zinc/72/65/35/483726535.db2.gz LMADROOOWPGKBZ-OBJOEFQTSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1ccccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595281921 483726237 /nfs/dbraw/zinc/72/62/37/483726237.db2.gz LMADROOOWPGKBZ-OUCADQQQSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1ccccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595281922 483726154 /nfs/dbraw/zinc/72/61/54/483726154.db2.gz LMADROOOWPGKBZ-SCRDCRAPSA-N 0 3 360.414 -0.357 20 0 FBADHN COc1ccccc1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595281923 483727195 /nfs/dbraw/zinc/72/71/95/483727195.db2.gz LMADROOOWPGKBZ-SGMGOOAPSA-N 0 3 360.414 -0.357 20 0 FBADHN CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595281950 483727039 /nfs/dbraw/zinc/72/70/39/483727039.db2.gz MMQDRVXOXVRJRA-CWRNSKLLSA-N 0 3 371.441 -0.940 20 0 FBADHN CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595281951 483727268 /nfs/dbraw/zinc/72/72/68/483727268.db2.gz MMQDRVXOXVRJRA-FVQBIDKESA-N 0 3 371.441 -0.940 20 0 FBADHN CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595281952 483727101 /nfs/dbraw/zinc/72/71/01/483727101.db2.gz MMQDRVXOXVRJRA-NUEKZKHPSA-N 0 3 371.441 -0.940 20 0 FBADHN CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595281953 483727244 /nfs/dbraw/zinc/72/72/44/483727244.db2.gz MMQDRVXOXVRJRA-VNQPRFMTSA-N 0 3 371.441 -0.940 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000595282121 483727165 /nfs/dbraw/zinc/72/71/65/483727165.db2.gz VFBWCLXSMZXDIK-QLFBSQMISA-N 0 3 366.462 -0.532 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000595282122 483727273 /nfs/dbraw/zinc/72/72/73/483727273.db2.gz VFBWCLXSMZXDIK-RBSFLKMASA-N 0 3 366.462 -0.532 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCCC1 ZINC000595282123 483727056 /nfs/dbraw/zinc/72/70/56/483727056.db2.gz VFBWCLXSMZXDIK-RRFJBIMHSA-N 0 3 366.462 -0.532 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCCC1 ZINC000595282124 483727089 /nfs/dbraw/zinc/72/70/89/483727089.db2.gz VFBWCLXSMZXDIK-SOUVJXGZSA-N 0 3 366.462 -0.532 20 0 FBADHN CCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccn1 ZINC000595282650 483727092 /nfs/dbraw/zinc/72/70/92/483727092.db2.gz WAOABIJZJOGFRN-GUTXKFCHSA-N 0 3 359.430 -0.191 20 0 FBADHN CCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccn1 ZINC000595282651 483727017 /nfs/dbraw/zinc/72/70/17/483727017.db2.gz WAOABIJZJOGFRN-IPYPFGDCSA-N 0 3 359.430 -0.191 20 0 FBADHN CCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccn1 ZINC000595282652 483727077 /nfs/dbraw/zinc/72/70/77/483727077.db2.gz WAOABIJZJOGFRN-NFAWXSAZSA-N 0 3 359.430 -0.191 20 0 FBADHN CCC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccn1 ZINC000595282653 483727118 /nfs/dbraw/zinc/72/71/18/483727118.db2.gz WAOABIJZJOGFRN-YDHLFZDLSA-N 0 3 359.430 -0.191 20 0 FBADHN Cc1cnc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1 ZINC000595283054 483727279 /nfs/dbraw/zinc/72/72/79/483727279.db2.gz GIYJFRATIMWTMS-KBPBESRZSA-N 0 3 359.430 -0.872 20 0 FBADHN Cc1cnc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)c1 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FBADHN COC(=O)CCN1CC[C@H](N2CCC(C(=O)NCCN(C)C)CC2)C1=O ZINC000595364973 483730055 /nfs/dbraw/zinc/73/00/55/483730055.db2.gz LFLFQPXREBOGMR-HNNXBMFYSA-N 0 3 368.478 -0.460 20 0 FBADHN COC(=O)CCN1CC[C@@H](N2CCC(C(=O)NCCN(C)C)CC2)C1=O ZINC000595364974 483729987 /nfs/dbraw/zinc/72/99/87/483729987.db2.gz LFLFQPXREBOGMR-OAHLLOKOSA-N 0 3 368.478 -0.460 20 0 FBADHN COC(=O)CCN1CC[C@H](N2CCN([C@@H]3CCCN(C)C3)CC2)C1=O ZINC000595371554 483730097 /nfs/dbraw/zinc/73/00/97/483730097.db2.gz OGFQPGMVMVWZQS-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN COC(=O)CCN1CC[C@H](N2CCN([C@H]3CCCN(C)C3)CC2)C1=O ZINC000595371556 483730280 /nfs/dbraw/zinc/73/02/80/483730280.db2.gz OGFQPGMVMVWZQS-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN COC(=O)CCN1CC[C@@H](N2CCN([C@@H]3CCCN(C)C3)CC2)C1=O ZINC000595371557 483730302 /nfs/dbraw/zinc/73/03/02/483730302.db2.gz OGFQPGMVMVWZQS-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN COC(=O)CCN1CC[C@@H](N2CCN([C@H]3CCCN(C)C3)CC2)C1=O ZINC000595371558 483729949 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0 3 363.466 -0.157 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595912250 483740766 /nfs/dbraw/zinc/74/07/66/483740766.db2.gz XPBPZLFNRPAFFH-QWHCGFSZSA-N 0 3 363.466 -0.157 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595912251 483740833 /nfs/dbraw/zinc/74/08/33/483740833.db2.gz XPBPZLFNRPAFFH-STQMWFEESA-N 0 3 363.466 -0.157 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000595939056 483742402 /nfs/dbraw/zinc/74/24/02/483742402.db2.gz URGWJJHKOHZOLQ-QLFBSQMISA-N 0 3 373.409 -0.090 20 0 FBADHN COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000595939057 483742680 /nfs/dbraw/zinc/74/26/80/483742680.db2.gz URGWJJHKOHZOLQ-ZNMIVQPWSA-N 0 3 373.409 -0.090 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CCN2C1=O ZINC000595940595 483742476 /nfs/dbraw/zinc/74/24/76/483742476.db2.gz HQECKZXRDDITEE-ARFHVFGLSA-N 0 3 371.441 -0.087 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CCN2C1=O ZINC000595940596 483742549 /nfs/dbraw/zinc/74/25/49/483742549.db2.gz HQECKZXRDDITEE-BZUAXINKSA-N 0 3 371.441 -0.087 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CCN2C1=O ZINC000595940597 483742561 /nfs/dbraw/zinc/74/25/61/483742561.db2.gz HQECKZXRDDITEE-OAGGEKHMSA-N 0 3 371.441 -0.087 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CCN2C1=O ZINC000595940598 483742741 /nfs/dbraw/zinc/74/27/41/483742741.db2.gz HQECKZXRDDITEE-XHSDSOJGSA-N 0 3 371.441 -0.087 20 0 FBADHN CCOC(=O)[C@@H](N)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000595946747 483743304 /nfs/dbraw/zinc/74/33/04/483743304.db2.gz YJPLFOZSSLLHRQ-AWEZNQCLSA-N 0 3 350.419 -0.515 20 0 FBADHN CCOC(=O)[C@H](N)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000595946748 483743123 /nfs/dbraw/zinc/74/31/23/483743123.db2.gz YJPLFOZSSLLHRQ-CQSZACIVSA-N 0 3 350.419 -0.515 20 0 FBADHN CCOC(=O)[C@H](N)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000595946784 483743181 /nfs/dbraw/zinc/74/31/81/483743181.db2.gz ZJTSDRQNFOBGBP-CYBMUJFWSA-N 0 3 350.375 -0.015 20 0 FBADHN CCOC(=O)[C@@H](N)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000595946785 483743422 /nfs/dbraw/zinc/74/34/22/483743422.db2.gz ZJTSDRQNFOBGBP-ZDUSSCGKSA-N 0 3 350.375 -0.015 20 0 FBADHN CCOC(=O)[C@@H](N)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000595947054 483743171 /nfs/dbraw/zinc/74/31/71/483743171.db2.gz HAZOGOCEDBMEDE-AWEZNQCLSA-N 0 3 350.419 -0.515 20 0 FBADHN CCOC(=O)[C@H](N)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000595947056 483743326 /nfs/dbraw/zinc/74/33/26/483743326.db2.gz HAZOGOCEDBMEDE-CQSZACIVSA-N 0 3 350.419 -0.515 20 0 FBADHN CCOC(=O)c1cnn2c1nccc2C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595949836 483740984 /nfs/dbraw/zinc/74/09/84/483740984.db2.gz ZBSAXEUXPARXJH-UHFFFAOYSA-N 0 3 371.357 -0.210 20 0 FBADHN Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000595970319 483742720 /nfs/dbraw/zinc/74/27/20/483742720.db2.gz LOVJISLSFYQKDC-DSPQJCBJSA-N 0 3 374.445 -0.982 20 0 FBADHN Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC(=O)N2C)cnn1C ZINC000595970320 483742635 /nfs/dbraw/zinc/74/26/35/483742635.db2.gz LOVJISLSFYQKDC-DUPGQFARSA-N 0 3 374.445 -0.982 20 0 FBADHN Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000595970322 483742672 /nfs/dbraw/zinc/74/26/72/483742672.db2.gz LOVJISLSFYQKDC-FIRUKDTASA-N 0 3 374.445 -0.982 20 0 FBADHN Cc1c([C@@H]2[C@@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC(=O)N2C)cnn1C ZINC000595970323 483742662 /nfs/dbraw/zinc/74/26/62/483742662.db2.gz LOVJISLSFYQKDC-GMZLATJGSA-N 0 3 374.445 -0.982 20 0 FBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cnn4c3[C@@H](CN)CCC4)C[C@H]21 ZINC000595973396 483742687 /nfs/dbraw/zinc/74/26/87/483742687.db2.gz LCNOUAKCWVZOMI-CABNGKKXSA-N 0 3 368.459 -0.397 20 0 FBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cnn4c3[C@H](CN)CCC4)C[C@H]21 ZINC000595973397 483742460 /nfs/dbraw/zinc/74/24/60/483742460.db2.gz LCNOUAKCWVZOMI-DEQVHRJGSA-N 0 3 368.459 -0.397 20 0 FBADHN Cc1ccc(F)c(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000595978898 483743497 /nfs/dbraw/zinc/74/34/97/483743497.db2.gz ACTKRPKDIIVALI-DZGCQCFKSA-N 0 3 362.405 -0.137 20 0 FBADHN Cc1ccc(F)c(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000595978899 483743697 /nfs/dbraw/zinc/74/36/97/483743697.db2.gz ACTKRPKDIIVALI-HIFRSBDPSA-N 0 3 362.405 -0.137 20 0 FBADHN Cc1ccc(F)c(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000595978900 483743703 /nfs/dbraw/zinc/74/37/03/483743703.db2.gz ACTKRPKDIIVALI-UKRRQHHQSA-N 0 3 362.405 -0.137 20 0 FBADHN Cc1ccc(F)c(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000595978901 483743776 /nfs/dbraw/zinc/74/37/76/483743776.db2.gz ACTKRPKDIIVALI-ZFWWWQNUSA-N 0 3 362.405 -0.137 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCS1 ZINC000595978911 483743565 /nfs/dbraw/zinc/74/35/65/483743565.db2.gz AFRQUCGPLQRBRI-AGIUHOORSA-N 0 3 354.476 -0.643 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCS1 ZINC000595978912 483743942 /nfs/dbraw/zinc/74/39/42/483743942.db2.gz AFRQUCGPLQRBRI-AVGNSLFASA-N 0 3 354.476 -0.643 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCS1 ZINC000595978913 483743797 /nfs/dbraw/zinc/74/37/97/483743797.db2.gz AFRQUCGPLQRBRI-UPJWGTAASA-N 0 3 354.476 -0.643 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCS1 ZINC000595978914 483743895 /nfs/dbraw/zinc/74/38/95/483743895.db2.gz AFRQUCGPLQRBRI-XQQFMLRXSA-N 0 3 354.476 -0.643 20 0 FBADHN C[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595978926 483743937 /nfs/dbraw/zinc/74/39/37/483743937.db2.gz AKORQKJQVBUAAZ-FTRWYGJKSA-N 0 3 370.453 -0.053 20 0 FBADHN C[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595978928 483743750 /nfs/dbraw/zinc/74/37/50/483743750.db2.gz AKORQKJQVBUAAZ-GUXCAODWSA-N 0 3 370.453 -0.053 20 0 FBADHN C[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595978930 483743823 /nfs/dbraw/zinc/74/38/23/483743823.db2.gz AKORQKJQVBUAAZ-QINHECLXSA-N 0 3 370.453 -0.053 20 0 FBADHN C[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595978931 483743875 /nfs/dbraw/zinc/74/38/75/483743875.db2.gz AKORQKJQVBUAAZ-YRNRMSPPSA-N 0 3 370.453 -0.053 20 0 FBADHN CCSCC[C@H](C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595978952 483743828 /nfs/dbraw/zinc/74/38/28/483743828.db2.gz APFCCNDMSDXWRN-AVGNSLFASA-N 0 3 356.492 -0.253 20 0 FBADHN CCSCC[C@H](C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595978953 483743615 /nfs/dbraw/zinc/74/36/15/483743615.db2.gz APFCCNDMSDXWRN-RWMBFGLXSA-N 0 3 356.492 -0.253 20 0 FBADHN CCSCC[C@H](C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595978954 483743588 /nfs/dbraw/zinc/74/35/88/483743588.db2.gz APFCCNDMSDXWRN-XQQFMLRXSA-N 0 3 356.492 -0.253 20 0 FBADHN CCSCC[C@H](C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595978955 483743765 /nfs/dbraw/zinc/74/37/65/483743765.db2.gz APFCCNDMSDXWRN-YNEHKIRRSA-N 0 3 356.492 -0.253 20 0 FBADHN CCc1cnc(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000595978967 483743590 /nfs/dbraw/zinc/74/35/90/483743590.db2.gz ATFKTUTVVIBULH-CMPLNLGQSA-N 0 3 365.459 -0.566 20 0 FBADHN CCc1cnc(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000595978969 483743513 /nfs/dbraw/zinc/74/35/13/483743513.db2.gz ATFKTUTVVIBULH-JQWIXIFHSA-N 0 3 365.459 -0.566 20 0 FBADHN CCc1cnc(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000595978970 483743840 /nfs/dbraw/zinc/74/38/40/483743840.db2.gz ATFKTUTVVIBULH-PWSUYJOCSA-N 0 3 365.459 -0.566 20 0 FBADHN CCc1cnc(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000595978971 483743628 /nfs/dbraw/zinc/74/36/28/483743628.db2.gz ATFKTUTVVIBULH-ZYHUDNBSSA-N 0 3 365.459 -0.566 20 0 FBADHN C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595978995 483743855 /nfs/dbraw/zinc/74/38/55/483743855.db2.gz BHSMYGTXPZYRNG-DAXOMENPSA-N 0 3 356.426 -0.270 20 0 FBADHN C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595978997 483743656 /nfs/dbraw/zinc/74/36/56/483743656.db2.gz BHSMYGTXPZYRNG-KCXAZCMYSA-N 0 3 356.426 -0.270 20 0 FBADHN C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595978999 483743792 /nfs/dbraw/zinc/74/37/92/483743792.db2.gz BHSMYGTXPZYRNG-UHOFOFEASA-N 0 3 356.426 -0.270 20 0 FBADHN C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595979000 483743919 /nfs/dbraw/zinc/74/39/19/483743919.db2.gz BHSMYGTXPZYRNG-WQVCFCJDSA-N 0 3 356.426 -0.270 20 0 FBADHN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595979215 483743727 /nfs/dbraw/zinc/74/37/27/483743727.db2.gz CAIXANKMWIPKEV-DGAVXFQQSA-N 0 3 368.503 -0.111 20 0 FBADHN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595979216 483743850 /nfs/dbraw/zinc/74/38/50/483743850.db2.gz CAIXANKMWIPKEV-FQUUOJAGSA-N 0 3 368.503 -0.111 20 0 FBADHN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595979217 483743545 /nfs/dbraw/zinc/74/35/45/483743545.db2.gz CAIXANKMWIPKEV-IGQOVBAYSA-N 0 3 368.503 -0.111 20 0 FBADHN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595979218 483743812 /nfs/dbraw/zinc/74/38/12/483743812.db2.gz CAIXANKMWIPKEV-REWJHTLYSA-N 0 3 368.503 -0.111 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595979372 483743622 /nfs/dbraw/zinc/74/36/22/483743622.db2.gz CYDNOEDEXXKONB-ARFHVFGLSA-N 0 3 372.425 -0.643 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595979373 483743520 /nfs/dbraw/zinc/74/35/20/483743520.db2.gz CYDNOEDEXXKONB-BZUAXINKSA-N 0 3 372.425 -0.643 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCOC[C@H]3c3ccccc3)CCN2C1=O ZINC000595979374 483743609 /nfs/dbraw/zinc/74/36/09/483743609.db2.gz CYDNOEDEXXKONB-OAGGEKHMSA-N 0 3 372.425 -0.643 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCOC[C@H]3c3ccccc3)CCN2C1=O ZINC000595979375 483743577 /nfs/dbraw/zinc/74/35/77/483743577.db2.gz CYDNOEDEXXKONB-XHSDSOJGSA-N 0 3 372.425 -0.643 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H]1n1ccnc1 ZINC000595979391 483743865 /nfs/dbraw/zinc/74/38/65/483743865.db2.gz DHYYOAZNNXFKJU-BARDWOONSA-N 0 3 374.445 -0.937 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H]1n1ccnc1 ZINC000595979392 483743771 /nfs/dbraw/zinc/74/37/71/483743771.db2.gz DHYYOAZNNXFKJU-KBUPBQIOSA-N 0 3 374.445 -0.937 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H]1n1ccnc1 ZINC000595979393 483743712 /nfs/dbraw/zinc/74/37/12/483743712.db2.gz DHYYOAZNNXFKJU-LXTVHRRPSA-N 0 3 374.445 -0.937 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H]1n1ccnc1 ZINC000595979394 483743737 /nfs/dbraw/zinc/74/37/37/483743737.db2.gz DHYYOAZNNXFKJU-TUVASFSCSA-N 0 3 374.445 -0.937 20 0 FBADHN 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ZINC000595980225 483744383 /nfs/dbraw/zinc/74/43/83/483744383.db2.gz HUGLKUJRXUFZRY-KBPBESRZSA-N 0 3 374.445 -0.671 20 0 FBADHN CC(C)c1ncc(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000595980226 483744460 /nfs/dbraw/zinc/74/44/60/483744460.db2.gz HUGLKUJRXUFZRY-KGLIPLIRSA-N 0 3 374.445 -0.671 20 0 FBADHN CC(C)c1ncc(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000595980227 483744321 /nfs/dbraw/zinc/74/43/21/483744321.db2.gz HUGLKUJRXUFZRY-UONOGXRCSA-N 0 3 374.445 -0.671 20 0 FBADHN CC(C)c1ncc(CN(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000595980228 483744124 /nfs/dbraw/zinc/74/41/24/483744124.db2.gz HUGLKUJRXUFZRY-ZIAGYGMSSA-N 0 3 374.445 -0.671 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C4CCOCC4)C3)CCN2C1=O ZINC000595980229 483744428 /nfs/dbraw/zinc/74/44/28/483744428.db2.gz HWLYOQNJTWFEQP-QLFBSQMISA-N 0 3 364.446 -0.968 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C4CCOCC4)C3)CCN2C1=O ZINC000595980230 483744463 /nfs/dbraw/zinc/74/44/63/483744463.db2.gz HWLYOQNJTWFEQP-RBSFLKMASA-N 0 3 364.446 -0.968 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C4CCOCC4)C3)CCN2C1=O ZINC000595980231 483744336 /nfs/dbraw/zinc/74/43/36/483744336.db2.gz HWLYOQNJTWFEQP-RRFJBIMHSA-N 0 3 364.446 -0.968 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](C4CCOCC4)C3)CCN2C1=O ZINC000595980232 483744347 /nfs/dbraw/zinc/74/43/47/483744347.db2.gz HWLYOQNJTWFEQP-SOUVJXGZSA-N 0 3 364.446 -0.968 20 0 FBADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)on1 ZINC000595980431 483744235 /nfs/dbraw/zinc/74/42/35/483744235.db2.gz HYWXTZCRHLWJIT-AGIUHOORSA-N 0 3 361.402 -0.583 20 0 FBADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)on1 ZINC000595980432 483744279 /nfs/dbraw/zinc/74/42/79/483744279.db2.gz HYWXTZCRHLWJIT-AVGNSLFASA-N 0 3 361.402 -0.583 20 0 FBADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)on1 ZINC000595980433 483744430 /nfs/dbraw/zinc/74/44/30/483744430.db2.gz HYWXTZCRHLWJIT-UPJWGTAASA-N 0 3 361.402 -0.583 20 0 FBADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)on1 ZINC000595980434 483744409 /nfs/dbraw/zinc/74/44/09/483744409.db2.gz HYWXTZCRHLWJIT-XQQFMLRXSA-N 0 3 361.402 -0.583 20 0 FBADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CC2 ZINC000595980435 483744422 /nfs/dbraw/zinc/74/44/22/483744422.db2.gz HZBSOVBDLRQBBJ-GDBMZVCRSA-N 0 3 372.425 -0.650 20 0 FBADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CC2 ZINC000595980436 483744180 /nfs/dbraw/zinc/74/41/80/483744180.db2.gz HZBSOVBDLRQBBJ-GOEBONIOSA-N 0 3 372.425 -0.650 20 0 FBADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CC2 ZINC000595980437 483744364 /nfs/dbraw/zinc/74/43/64/483744364.db2.gz HZBSOVBDLRQBBJ-HOCLYGCPSA-N 0 3 372.425 -0.650 20 0 FBADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CC2 ZINC000595980438 483744160 /nfs/dbraw/zinc/74/41/60/483744160.db2.gz HZBSOVBDLRQBBJ-ZBFHGGJFSA-N 0 3 372.425 -0.650 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CCCc2c1cnn2C ZINC000595980473 483744153 /nfs/dbraw/zinc/74/41/53/483744153.db2.gz ISOVBPXVTCFTKI-BNOWGMLFSA-N 0 3 374.445 -0.974 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CCCc2c1cnn2C ZINC000595980474 483744492 /nfs/dbraw/zinc/74/44/92/483744492.db2.gz ISOVBPXVTCFTKI-IACUBPJLSA-N 0 3 374.445 -0.974 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CCCc2c1cnn2C ZINC000595980475 483744307 /nfs/dbraw/zinc/74/43/07/483744307.db2.gz ISOVBPXVTCFTKI-MRVWCRGKSA-N 0 3 374.445 -0.974 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CCCc2c1cnn2C ZINC000595980476 483744100 /nfs/dbraw/zinc/74/41/00/483744100.db2.gz ISOVBPXVTCFTKI-YUTCNCBUSA-N 0 3 374.445 -0.974 20 0 FBADHN Cn1cc([C@@H]2CCCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cn1 ZINC000595980489 483744303 /nfs/dbraw/zinc/74/43/03/483744303.db2.gz IWNPQQYFIGVCQL-ILXRZTDVSA-N 0 3 374.445 -0.756 20 0 FBADHN Cn1cc([C@@H]2CCCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cn1 ZINC000595980490 483744367 /nfs/dbraw/zinc/74/43/67/483744367.db2.gz IWNPQQYFIGVCQL-KFWWJZLASA-N 0 3 374.445 -0.756 20 0 FBADHN Cn1cc([C@@H]2CCCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cn1 ZINC000595980491 483744069 /nfs/dbraw/zinc/74/40/69/483744069.db2.gz IWNPQQYFIGVCQL-KKUMJFAQSA-N 0 3 374.445 -0.756 20 0 FBADHN Cn1cc([C@@H]2CCCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cn1 ZINC000595980492 483744202 /nfs/dbraw/zinc/74/42/02/483744202.db2.gz IWNPQQYFIGVCQL-ZNMIVQPWSA-N 0 3 374.445 -0.756 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)CCN2C1=O ZINC000595980509 483744361 /nfs/dbraw/zinc/74/43/61/483744361.db2.gz IYWLDYBBHGOHGZ-QLFBSQMISA-N 0 3 364.446 -0.826 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](OCC4CC4)C3)CCN2C1=O ZINC000595980510 483744108 /nfs/dbraw/zinc/74/41/08/483744108.db2.gz IYWLDYBBHGOHGZ-RBSFLKMASA-N 0 3 364.446 -0.826 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](OCC4CC4)C3)CCN2C1=O ZINC000595980511 483744480 /nfs/dbraw/zinc/74/44/80/483744480.db2.gz IYWLDYBBHGOHGZ-RRFJBIMHSA-N 0 3 364.446 -0.826 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)CCN2C1=O ZINC000595980512 483744441 /nfs/dbraw/zinc/74/44/41/483744441.db2.gz IYWLDYBBHGOHGZ-SOUVJXGZSA-N 0 3 364.446 -0.826 20 0 FBADHN Cc1cc(F)ccc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980537 483744370 /nfs/dbraw/zinc/74/43/70/483744370.db2.gz JNJDKYYGRHLNLP-CABCVRRESA-N 0 3 362.405 -0.137 20 0 FBADHN Cc1cc(F)ccc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980538 483744131 /nfs/dbraw/zinc/74/41/31/483744131.db2.gz JNJDKYYGRHLNLP-GJZGRUSLSA-N 0 3 362.405 -0.137 20 0 FBADHN Cc1cc(F)ccc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980539 483744075 /nfs/dbraw/zinc/74/40/75/483744075.db2.gz JNJDKYYGRHLNLP-HUUCEWRRSA-N 0 3 362.405 -0.137 20 0 FBADHN Cc1cc(F)ccc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980540 483744174 /nfs/dbraw/zinc/74/41/74/483744174.db2.gz JNJDKYYGRHLNLP-LSDHHAIUSA-N 0 3 362.405 -0.137 20 0 FBADHN CCCCCN(CCCOC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980560 483744432 /nfs/dbraw/zinc/74/44/32/483744432.db2.gz JVAAJSWIXZBPRK-CABCVRRESA-N 0 3 368.478 -0.188 20 0 FBADHN CCCCCN(CCCOC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980561 483744243 /nfs/dbraw/zinc/74/42/43/483744243.db2.gz JVAAJSWIXZBPRK-GJZGRUSLSA-N 0 3 368.478 -0.188 20 0 FBADHN CCCCCN(CCCOC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980562 483744503 /nfs/dbraw/zinc/74/45/03/483744503.db2.gz JVAAJSWIXZBPRK-HUUCEWRRSA-N 0 3 368.478 -0.188 20 0 FBADHN CCCCCN(CCCOC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980563 483744388 /nfs/dbraw/zinc/74/43/88/483744388.db2.gz JVAAJSWIXZBPRK-LSDHHAIUSA-N 0 3 368.478 -0.188 20 0 FBADHN CCCN(CCc1ccccn1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980675 483744329 /nfs/dbraw/zinc/74/43/29/483744329.db2.gz ISNRJLBEUFSYIB-CVEARBPZSA-N 0 3 373.457 -0.367 20 0 FBADHN CCCN(CCc1ccccn1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980676 483744083 /nfs/dbraw/zinc/74/40/83/483744083.db2.gz ISNRJLBEUFSYIB-HOTGVXAUSA-N 0 3 373.457 -0.367 20 0 FBADHN CCCN(CCc1ccccn1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980677 483744438 /nfs/dbraw/zinc/74/44/38/483744438.db2.gz ISNRJLBEUFSYIB-HZPDHXFCSA-N 0 3 373.457 -0.367 20 0 FBADHN CCCN(CCc1ccccn1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980678 483744214 /nfs/dbraw/zinc/74/42/14/483744214.db2.gz ISNRJLBEUFSYIB-JKSUJKDBSA-N 0 3 373.457 -0.367 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1Cc2ccccc2C1 ZINC000595980715 483744373 /nfs/dbraw/zinc/74/43/73/483744373.db2.gz JIOJQIRZCZADKF-CVEARBPZSA-N 0 3 356.426 -0.617 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1Cc2ccccc2C1 ZINC000595980716 483744426 /nfs/dbraw/zinc/74/44/26/483744426.db2.gz JIOJQIRZCZADKF-HOTGVXAUSA-N 0 3 356.426 -0.617 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1Cc2ccccc2C1 ZINC000595980717 483744413 /nfs/dbraw/zinc/74/44/13/483744413.db2.gz JIOJQIRZCZADKF-HZPDHXFCSA-N 0 3 356.426 -0.617 20 0 FBADHN CN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1Cc2ccccc2C1 ZINC000595980718 483744469 /nfs/dbraw/zinc/74/44/69/483744469.db2.gz JIOJQIRZCZADKF-JKSUJKDBSA-N 0 3 356.426 -0.617 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)[C@@H](C)C1 ZINC000595980826 483744402 /nfs/dbraw/zinc/74/44/02/483744402.db2.gz LFUZAPAYUHJXNV-POZPTJLLSA-N 0 3 352.435 -0.968 20 0 FBADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)[C@H](C)C1 ZINC000595980827 483744489 /nfs/dbraw/zinc/74/44/89/483744489.db2.gz LFUZAPAYUHJXNV-SFYCDEOASA-N 0 3 352.435 -0.968 20 0 FBADHN CN(CCCOc1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980890 483744265 /nfs/dbraw/zinc/74/42/65/483744265.db2.gz KQFDJALKZJIFFX-GDBMZVCRSA-N 0 3 374.441 -0.316 20 0 FBADHN CN(CCCOc1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980891 483744447 /nfs/dbraw/zinc/74/44/47/483744447.db2.gz KQFDJALKZJIFFX-GOEBONIOSA-N 0 3 374.441 -0.316 20 0 FBADHN CN(CCCOc1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980892 483744420 /nfs/dbraw/zinc/74/44/20/483744420.db2.gz KQFDJALKZJIFFX-HOCLYGCPSA-N 0 3 374.441 -0.316 20 0 FBADHN CN(CCCOc1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980893 483744259 /nfs/dbraw/zinc/74/42/59/483744259.db2.gz KQFDJALKZJIFFX-ZBFHGGJFSA-N 0 3 374.441 -0.316 20 0 FBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000595981358 483744356 /nfs/dbraw/zinc/74/43/56/483744356.db2.gz PBKZVTJAAXOGDK-UHFFFAOYSA-N 0 3 352.435 -0.968 20 0 FBADHN COCCN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CC[C@H](C)C1 ZINC000595981364 483744313 /nfs/dbraw/zinc/74/43/13/483744313.db2.gz PDMAYOFWNOAUPD-BYNSBNAKSA-N 0 3 366.462 -0.580 20 0 FBADHN COCCN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CC[C@H](C)C1 ZINC000595981665 483744424 /nfs/dbraw/zinc/74/44/24/483744424.db2.gz PDMAYOFWNOAUPD-GBJTYRQASA-N 0 3 366.462 -0.580 20 0 FBADHN COCCN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CC[C@@H](C)C1 ZINC000595981666 483744325 /nfs/dbraw/zinc/74/43/25/483744325.db2.gz PDMAYOFWNOAUPD-KBUPBQIOSA-N 0 3 366.462 -0.580 20 0 FBADHN COCCN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CC[C@@H](C)C1 ZINC000595981667 483744415 /nfs/dbraw/zinc/74/44/15/483744415.db2.gz PDMAYOFWNOAUPD-LXTVHRRPSA-N 0 3 366.462 -0.580 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Cc4ccncc4)C3)CCN2C1=O ZINC000595981724 483744395 /nfs/dbraw/zinc/74/43/95/483744395.db2.gz QFEMQYMOMDTRIV-ARFHVFGLSA-N 0 3 371.441 -0.757 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](Cc4ccncc4)C3)CCN2C1=O ZINC000595981725 483744453 /nfs/dbraw/zinc/74/44/53/483744453.db2.gz QFEMQYMOMDTRIV-BZUAXINKSA-N 0 3 371.441 -0.757 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](Cc4ccncc4)C3)CCN2C1=O ZINC000595981726 483744377 /nfs/dbraw/zinc/74/43/77/483744377.db2.gz QFEMQYMOMDTRIV-HRCADAONSA-N 0 3 371.441 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CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@H](CC)CO1 ZINC000595981944 483744766 /nfs/dbraw/zinc/74/47/66/483744766.db2.gz HMGXELHOORNKPO-AAVRWANBSA-N 0 3 352.435 -0.827 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@@H](CC)CO1 ZINC000595981945 483745064 /nfs/dbraw/zinc/74/50/64/483745064.db2.gz HMGXELHOORNKPO-IGQOVBAYSA-N 0 3 352.435 -0.827 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@@H](CC)CO1 ZINC000595981946 483745028 /nfs/dbraw/zinc/74/50/28/483745028.db2.gz HMGXELHOORNKPO-REWJHTLYSA-N 0 3 352.435 -0.827 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@H](CC)CO1 ZINC000595981947 483744806 /nfs/dbraw/zinc/74/48/06/483744806.db2.gz HMGXELHOORNKPO-XJFOESAGSA-N 0 3 352.435 -0.827 20 0 FBADHN CC(C)N(Cc1ccccn1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595982045 483744879 /nfs/dbraw/zinc/74/48/79/483744879.db2.gz RQSDFDNZNWJSIV-CABCVRRESA-N 0 3 359.430 -0.411 20 0 FBADHN 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COC[C@@H]1CCCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595990037 483746453 /nfs/dbraw/zinc/74/64/53/483746453.db2.gz NRWQXWQCMSTZRG-MGPQQGTHSA-N 0 3 352.435 -0.968 20 0 FBADHN COC[C@@H]1CCCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595990040 483746483 /nfs/dbraw/zinc/74/64/83/483746483.db2.gz NRWQXWQCMSTZRG-RDBSUJKOSA-N 0 3 352.435 -0.968 20 0 FBADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCOCC4(CCCC4)C3)CCN2C1=O ZINC000595990100 483746438 /nfs/dbraw/zinc/74/64/38/483746438.db2.gz OMTRGWUJMDATCH-KBPBESRZSA-N 0 3 364.446 -0.824 20 0 FBADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCOCC4(CCCC4)C3)CCN2C1=O ZINC000595990101 483746135 /nfs/dbraw/zinc/74/61/35/483746135.db2.gz OMTRGWUJMDATCH-KGLIPLIRSA-N 0 3 364.446 -0.824 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCOCC4(CCCC4)C3)CCN2C1=O ZINC000595990102 483746066 /nfs/dbraw/zinc/74/60/66/483746066.db2.gz OMTRGWUJMDATCH-UONOGXRCSA-N 0 3 364.446 -0.824 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCOCC4(CCCC4)C3)CCN2C1=O ZINC000595990103 483746256 /nfs/dbraw/zinc/74/62/56/483746256.db2.gz OMTRGWUJMDATCH-ZIAGYGMSSA-N 0 3 364.446 -0.824 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595990325 483747001 /nfs/dbraw/zinc/74/70/01/483747001.db2.gz PPLQDNDWLRHTEK-HZSPNIEDSA-N 0 3 352.435 -0.968 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595990326 483747143 /nfs/dbraw/zinc/74/71/43/483747143.db2.gz PPLQDNDWLRHTEK-MCIONIFRSA-N 0 3 352.435 -0.968 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595990327 483747118 /nfs/dbraw/zinc/74/71/18/483747118.db2.gz PPLQDNDWLRHTEK-MGPQQGTHSA-N 0 3 352.435 -0.968 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595990329 483747221 /nfs/dbraw/zinc/74/72/21/483747221.db2.gz PPLQDNDWLRHTEK-RDBSUJKOSA-N 0 3 352.435 -0.968 20 0 FBADHN C[C@@H]1COc2ccccc2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595990338 483747021 /nfs/dbraw/zinc/74/70/21/483747021.db2.gz 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483746882 /nfs/dbraw/zinc/74/68/82/483746882.db2.gz YUQSECIDIBMTDS-JKSUJKDBSA-N 0 3 371.441 -0.442 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3Cc3ccccc3)CCN2C1=O ZINC000595990796 483747195 /nfs/dbraw/zinc/74/71/95/483747195.db2.gz ZGTNZGOPZGFSIS-BRWVUGGUSA-N 0 3 370.453 -0.010 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3Cc3ccccc3)CCN2C1=O ZINC000595990797 483746729 /nfs/dbraw/zinc/74/67/29/483746729.db2.gz ZGTNZGOPZGFSIS-GVDBMIGSSA-N 0 3 370.453 -0.010 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3Cc3ccccc3)CCN2C1=O ZINC000595990798 483746786 /nfs/dbraw/zinc/74/67/86/483746786.db2.gz ZGTNZGOPZGFSIS-IXDOHACOSA-N 0 3 370.453 -0.010 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H]3Cc3ccccc3)CCN2C1=O ZINC000595990799 483747152 /nfs/dbraw/zinc/74/71/52/483747152.db2.gz ZGTNZGOPZGFSIS-YESZJQIVSA-N 0 3 370.453 -0.010 20 0 FBADHN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595990879 483746247 /nfs/dbraw/zinc/74/62/47/483746247.db2.gz 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20 0 FBADHN CCN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H](C)c1cccnc1 ZINC000595990970 483747007 /nfs/dbraw/zinc/74/70/07/483747007.db2.gz KWCGDBURXVHOLM-NWANDNLSSA-N 0 3 359.430 -0.239 20 0 FBADHN CCN(C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H](C)c1cccnc1 ZINC000595990975 483747089 /nfs/dbraw/zinc/74/70/89/483747089.db2.gz KWCGDBURXVHOLM-VHDGCEQUSA-N 0 3 359.430 -0.239 20 0 FBADHN Cc1cccc2c1CN(C(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)CC2 ZINC000595991158 483746692 /nfs/dbraw/zinc/74/66/92/483746692.db2.gz LZSNQIOHOSTRJP-GDBMZVCRSA-N 0 3 356.426 -0.350 20 0 FBADHN Cc1cccc2c1CN(C(=O)C(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)CC2 ZINC000595991164 483746969 /nfs/dbraw/zinc/74/69/69/483746969.db2.gz LZSNQIOHOSTRJP-GOEBONIOSA-N 0 3 356.426 -0.350 20 0 FBADHN Cc1cccc2c1CN(C(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)CC2 ZINC000595991166 483747290 /nfs/dbraw/zinc/74/72/90/483747290.db2.gz LZSNQIOHOSTRJP-HOCLYGCPSA-N 0 3 356.426 -0.350 20 0 FBADHN Cc1cccc2c1CN(C(=O)C(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)CC2 ZINC000595991171 483746675 /nfs/dbraw/zinc/74/66/75/483746675.db2.gz LZSNQIOHOSTRJP-ZBFHGGJFSA-N 0 3 356.426 -0.350 20 0 FBADHN Cc1ncsc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595991473 483746669 /nfs/dbraw/zinc/74/66/69/483746669.db2.gz MUVKZRZVEFHIQS-GHMZBOCLSA-N 0 3 351.432 -0.820 20 0 FBADHN Cc1ncsc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595991474 483747160 /nfs/dbraw/zinc/74/71/60/483747160.db2.gz MUVKZRZVEFHIQS-MNOVXSKESA-N 0 3 351.432 -0.820 20 0 FBADHN Cc1ncsc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595991475 483746708 /nfs/dbraw/zinc/74/67/08/483746708.db2.gz MUVKZRZVEFHIQS-QWRGUYRKSA-N 0 3 351.432 -0.820 20 0 FBADHN Cc1ncsc1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595991476 483747229 /nfs/dbraw/zinc/74/72/29/483747229.db2.gz MUVKZRZVEFHIQS-WDEREUQCSA-N 0 3 351.432 -0.820 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3cn[nH]c3)CCN2C1=O ZINC000595991477 483746718 /nfs/dbraw/zinc/74/67/18/483746718.db2.gz MWAZNVPVDJVFHR-BFHYXJOUSA-N 0 3 360.418 -0.766 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3cn[nH]c3)CCN2C1=O ZINC000595991478 483746749 /nfs/dbraw/zinc/74/67/49/483746749.db2.gz MWAZNVPVDJVFHR-MCIONIFRSA-N 0 3 360.418 -0.766 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3cn[nH]c3)CCN2C1=O ZINC000595991479 483747264 /nfs/dbraw/zinc/74/72/64/483747264.db2.gz MWAZNVPVDJVFHR-MGPQQGTHSA-N 0 3 360.418 -0.766 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3cn[nH]c3)CCN2C1=O ZINC000595991480 483747029 /nfs/dbraw/zinc/74/70/29/483747029.db2.gz MWAZNVPVDJVFHR-MJBXVCDLSA-N 0 3 360.418 -0.766 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](c4cccnc4)C3)CCN2C1=O ZINC000595991692 483746840 /nfs/dbraw/zinc/74/68/40/483746840.db2.gz GHUUATRTEKMGKH-QLFBSQMISA-N 0 3 357.414 -0.832 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](c4cccnc4)C3)CCN2C1=O ZINC000595991693 483746927 /nfs/dbraw/zinc/74/69/27/483746927.db2.gz GHUUATRTEKMGKH-RBSFLKMASA-N 0 3 357.414 -0.832 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](c4cccnc4)C3)CCN2C1=O ZINC000595991694 483746935 /nfs/dbraw/zinc/74/69/35/483746935.db2.gz GHUUATRTEKMGKH-RRFJBIMHSA-N 0 3 357.414 -0.832 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](c4cccnc4)C3)CCN2C1=O ZINC000595991695 483746672 /nfs/dbraw/zinc/74/66/72/483746672.db2.gz GHUUATRTEKMGKH-SOUVJXGZSA-N 0 3 357.414 -0.832 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](c4ccccc4F)C3)CCN2C1=O ZINC000595992036 483746697 /nfs/dbraw/zinc/74/66/97/483746697.db2.gz PLGCULQGFDUDMY-DVOMOZLQSA-N 0 3 374.416 -0.088 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](c4ccccc4F)C3)CCN2C1=O ZINC000595992037 483747060 /nfs/dbraw/zinc/74/70/60/483747060.db2.gz PLGCULQGFDUDMY-HEHGZKQESA-N 0 3 374.416 -0.088 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](c4ccccc4F)C3)CCN2C1=O ZINC000595992038 483746996 /nfs/dbraw/zinc/74/69/96/483746996.db2.gz PLGCULQGFDUDMY-WOSRLPQWSA-N 0 3 374.416 -0.088 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](c4ccccc4F)C3)CCN2C1=O ZINC000595992039 483746712 /nfs/dbraw/zinc/74/67/12/483746712.db2.gz PLGCULQGFDUDMY-XJKCOSOUSA-N 0 3 374.416 -0.088 20 0 FBADHN CN(CCC1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595992075 483746734 /nfs/dbraw/zinc/74/67/34/483746734.db2.gz PWFUMFNYAVGYIG-KBPBESRZSA-N 0 3 352.435 -0.968 20 0 FBADHN CN(CCC1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595992078 483747134 /nfs/dbraw/zinc/74/71/34/483747134.db2.gz PWFUMFNYAVGYIG-KGLIPLIRSA-N 0 3 352.435 -0.968 20 0 FBADHN CN(CCC1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595992080 483747244 /nfs/dbraw/zinc/74/72/44/483747244.db2.gz PWFUMFNYAVGYIG-UONOGXRCSA-N 0 3 352.435 -0.968 20 0 FBADHN CN(CCC1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595992082 483746876 /nfs/dbraw/zinc/74/68/76/483746876.db2.gz PWFUMFNYAVGYIG-ZIAGYGMSSA-N 0 3 352.435 -0.968 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3ncc[nH]3)CCN2C1=O ZINC000595992756 483746946 /nfs/dbraw/zinc/74/69/46/483746946.db2.gz QZUVLUOWLICNAS-JHJVBQTASA-N 0 3 360.418 -0.766 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3ncc[nH]3)CCN2C1=O ZINC000595992757 483747044 /nfs/dbraw/zinc/74/70/44/483747044.db2.gz QZUVLUOWLICNAS-UPJWGTAASA-N 0 3 360.418 -0.766 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3ncc[nH]3)CCN2C1=O ZINC000595992758 483746866 /nfs/dbraw/zinc/74/68/66/483746866.db2.gz QZUVLUOWLICNAS-XQQFMLRXSA-N 0 3 360.418 -0.766 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3ncc[nH]3)CCN2C1=O ZINC000595992760 483747256 /nfs/dbraw/zinc/74/72/56/483747256.db2.gz QZUVLUOWLICNAS-YNEHKIRRSA-N 0 3 360.418 -0.766 20 0 FBADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595992761 483746791 /nfs/dbraw/zinc/74/67/91/483746791.db2.gz RALKZRALPCWEBP-CVEARBPZSA-N 0 3 373.457 -0.648 20 0 FBADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595992764 483746846 /nfs/dbraw/zinc/74/68/46/483746846.db2.gz RALKZRALPCWEBP-HOTGVXAUSA-N 0 3 373.457 -0.648 20 0 FBADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595992765 483746685 /nfs/dbraw/zinc/74/66/85/483746685.db2.gz RALKZRALPCWEBP-HZPDHXFCSA-N 0 3 373.457 -0.648 20 0 FBADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595992766 483746889 /nfs/dbraw/zinc/74/68/89/483746889.db2.gz RALKZRALPCWEBP-JKSUJKDBSA-N 0 3 373.457 -0.648 20 0 FBADHN COc1ccccc1CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595992786 483747053 /nfs/dbraw/zinc/74/70/53/483747053.db2.gz RBJUPMUQVKTISD-CABCVRRESA-N 0 3 374.441 -0.534 20 0 FBADHN COc1ccccc1CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595992787 483747187 /nfs/dbraw/zinc/74/71/87/483747187.db2.gz RBJUPMUQVKTISD-GJZGRUSLSA-N 0 3 374.441 -0.534 20 0 FBADHN COc1ccccc1CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595992789 483747015 /nfs/dbraw/zinc/74/70/15/483747015.db2.gz RBJUPMUQVKTISD-HUUCEWRRSA-N 0 3 374.441 -0.534 20 0 FBADHN COc1ccccc1CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595992791 483747083 /nfs/dbraw/zinc/74/70/83/483747083.db2.gz RBJUPMUQVKTISD-LSDHHAIUSA-N 0 3 374.441 -0.534 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)Cc2ccccc21 ZINC000595992793 483747074 /nfs/dbraw/zinc/74/70/74/483747074.db2.gz RBQABZILCCAMDH-CABCVRRESA-N 0 3 371.441 -0.765 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)Cc2ccccc21 ZINC000595992800 483747278 /nfs/dbraw/zinc/74/72/78/483747278.db2.gz RBQABZILCCAMDH-GJZGRUSLSA-N 0 3 371.441 -0.765 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)Cc2ccccc21 ZINC000595992801 483747176 /nfs/dbraw/zinc/74/71/76/483747176.db2.gz RBQABZILCCAMDH-HUUCEWRRSA-N 0 3 371.441 -0.765 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)Cc2ccccc21 ZINC000595992804 483747095 /nfs/dbraw/zinc/74/70/95/483747095.db2.gz RBQABZILCCAMDH-LSDHHAIUSA-N 0 3 371.441 -0.765 20 0 FBADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595992934 483746724 /nfs/dbraw/zinc/74/67/24/483746724.db2.gz YOPSAFVOXXVZJF-DEYYWGMASA-N 0 3 366.462 -0.844 20 0 FBADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595992939 483747103 /nfs/dbraw/zinc/74/71/03/483747103.db2.gz YOPSAFVOXXVZJF-GLJUWKHASA-N 0 3 366.462 -0.844 20 0 FBADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595992942 483747295 /nfs/dbraw/zinc/74/72/95/483747295.db2.gz YOPSAFVOXXVZJF-IYOUNJFTSA-N 0 3 366.462 -0.844 20 0 FBADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595992945 483746821 /nfs/dbraw/zinc/74/68/21/483746821.db2.gz YOPSAFVOXXVZJF-LBTNJELSSA-N 0 3 366.462 -0.844 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)[C@H](N)CCC(=O)OC)CC2)nn1 ZINC000595992948 483747181 /nfs/dbraw/zinc/74/71/81/483747181.db2.gz YQACNUVGZBXQFU-GFCCVEGCSA-N 0 3 351.407 -0.196 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)[C@@H](N)CCC(=O)OC)CC2)nn1 ZINC000595992950 483746827 /nfs/dbraw/zinc/74/68/27/483746827.db2.gz YQACNUVGZBXQFU-LBPRGKRZSA-N 0 3 351.407 -0.196 20 0 FBADHN CCC1(CC)CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCS1 ZINC000595992986 483747204 /nfs/dbraw/zinc/74/72/04/483747204.db2.gz ZINRPLKWVIZNPF-CHWSQXEVSA-N 0 3 368.503 -0.109 20 0 FBADHN CCC1(CC)CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCS1 ZINC000595992987 483746779 /nfs/dbraw/zinc/74/67/79/483746779.db2.gz ZINRPLKWVIZNPF-OLZOCXBDSA-N 0 3 368.503 -0.109 20 0 FBADHN CCC1(CC)CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCS1 ZINC000595992988 483746833 /nfs/dbraw/zinc/74/68/33/483746833.db2.gz ZINRPLKWVIZNPF-QWHCGFSZSA-N 0 3 368.503 -0.109 20 0 FBADHN CCC1(CC)CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCS1 ZINC000595992989 483746899 /nfs/dbraw/zinc/74/68/99/483746899.db2.gz ZINRPLKWVIZNPF-STQMWFEESA-N 0 3 368.503 -0.109 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)CCN2C1=O ZINC000595993613 483747237 /nfs/dbraw/zinc/74/72/37/483747237.db2.gz SJYHEMBTQIUXGP-KFWWJZLASA-N 0 3 364.446 -0.826 20 0 FBADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCCO4)CC3)CCN2C1=O ZINC000595993615 483746906 /nfs/dbraw/zinc/74/69/06/483746906.db2.gz SJYHEMBTQIUXGP-RBSFLKMASA-N 0 3 364.446 -0.826 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCCO4)CC3)CCN2C1=O ZINC000595993618 483746809 /nfs/dbraw/zinc/74/68/09/483746809.db2.gz SJYHEMBTQIUXGP-RRFJBIMHSA-N 0 3 364.446 -0.826 20 0 FBADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)CCN2C1=O ZINC000595993620 483746680 /nfs/dbraw/zinc/74/66/80/483746680.db2.gz SJYHEMBTQIUXGP-ZNMIVQPWSA-N 0 3 364.446 -0.826 20 0 FBADHN CC(C)(C)CN(CCCO)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595993627 483746919 /nfs/dbraw/zinc/74/69/19/483746919.db2.gz SPFWHBDCSCPUCZ-CHWSQXEVSA-N 0 3 354.451 -0.986 20 0 FBADHN CC(C)(C)CN(CCCO)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595993638 483746756 /nfs/dbraw/zinc/74/67/56/483746756.db2.gz SPFWHBDCSCPUCZ-OLZOCXBDSA-N 0 3 354.451 -0.986 20 0 FBADHN CC(C)(C)CN(CCCO)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595993640 483746962 /nfs/dbraw/zinc/74/69/62/483746962.db2.gz SPFWHBDCSCPUCZ-QWHCGFSZSA-N 0 3 354.451 -0.986 20 0 FBADHN CC(C)(C)CN(CCCO)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595993642 483746953 /nfs/dbraw/zinc/74/69/53/483746953.db2.gz SPFWHBDCSCPUCZ-STQMWFEESA-N 0 3 354.451 -0.986 20 0 FBADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595993650 483746773 /nfs/dbraw/zinc/74/67/73/483746773.db2.gz SQSWNKJGQYSKPV-BFHYXJOUSA-N 0 3 352.435 -0.970 20 0 FBADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595993652 483746766 /nfs/dbraw/zinc/74/67/66/483746766.db2.gz SQSWNKJGQYSKPV-MCIONIFRSA-N 0 3 352.435 -0.970 20 0 FBADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595993654 483747213 /nfs/dbraw/zinc/74/72/13/483747213.db2.gz SQSWNKJGQYSKPV-MGPQQGTHSA-N 0 3 352.435 -0.970 20 0 FBADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595993655 483746796 /nfs/dbraw/zinc/74/67/96/483746796.db2.gz SQSWNKJGQYSKPV-MJBXVCDLSA-N 0 3 352.435 -0.970 20 0 FBADHN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)c1 ZINC000595994782 483746852 /nfs/dbraw/zinc/74/68/52/483746852.db2.gz VSPPWSURTJCOOR-ILXRZTDVSA-N 0 3 374.445 -0.875 20 0 FBADHN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)c1 ZINC000595994801 483747123 /nfs/dbraw/zinc/74/71/23/483747123.db2.gz VSPPWSURTJCOOR-KFWWJZLASA-N 0 3 374.445 -0.875 20 0 FBADHN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)c1 ZINC000595994803 483747035 /nfs/dbraw/zinc/74/70/35/483747035.db2.gz VSPPWSURTJCOOR-QLFBSQMISA-N 0 3 374.445 -0.875 20 0 FBADHN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)c1 ZINC000595994804 483747109 /nfs/dbraw/zinc/74/71/09/483747109.db2.gz VSPPWSURTJCOOR-RBSFLKMASA-N 0 3 374.445 -0.875 20 0 FBADHN C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595994807 483746894 /nfs/dbraw/zinc/74/68/94/483746894.db2.gz VTLCNYHMNIYYTA-INWMFGNUSA-N 0 3 356.426 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483849337 /nfs/dbraw/zinc/84/93/37/483849337.db2.gz FGUCFOOZUUEBBH-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000603302170 483849095 /nfs/dbraw/zinc/84/90/95/483849095.db2.gz FGUCFOOZUUEBBH-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@H]1CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000603302171 483849370 /nfs/dbraw/zinc/84/93/70/483849370.db2.gz FGUCFOOZUUEBBH-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN COC(=O)c1c[nH]nc1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000603309074 483848505 /nfs/dbraw/zinc/84/85/05/483848505.db2.gz KVPFVSPIXQPNCG-UHFFFAOYSA-N 0 3 373.479 -0.157 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000603353470 483849822 /nfs/dbraw/zinc/84/98/22/483849822.db2.gz JIAJVTXCYRWQAY-HZSPNIEDSA-N 0 3 357.476 -0.425 20 0 FBADHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000603353471 483849702 /nfs/dbraw/zinc/84/97/02/483849702.db2.gz JIAJVTXCYRWQAY-MCIONIFRSA-N 0 3 357.476 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COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 ZINC000603713328 483855175 /nfs/dbraw/zinc/85/51/75/483855175.db2.gz RSEQUAONOVHJCL-LBPRGKRZSA-N 0 3 353.375 -0.784 20 0 FBADHN C[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000603810648 483856608 /nfs/dbraw/zinc/85/66/08/483856608.db2.gz IWBJQIUAADWANX-AWEZNQCLSA-N 0 3 368.503 -0.124 20 0 FBADHN C[C@H](CNC(=O)Cc1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000603810649 483856306 /nfs/dbraw/zinc/85/63/06/483856306.db2.gz IWBJQIUAADWANX-CQSZACIVSA-N 0 3 368.503 -0.124 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)o1 ZINC000603812203 483856518 /nfs/dbraw/zinc/85/65/18/483856518.db2.gz JMSKHWGVKCHQQY-UHFFFAOYSA-N 0 3 358.464 -0.055 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)o1 ZINC000603812203 483856516 /nfs/dbraw/zinc/85/65/16/483856516.db2.gz JMSKHWGVKCHQQY-UHFFFAOYSA-N 0 3 358.464 -0.055 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1=O ZINC000603815113 483856504 /nfs/dbraw/zinc/85/65/04/483856504.db2.gz XOZFYTZGRODRLW-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1=O ZINC000603815114 483856365 /nfs/dbraw/zinc/85/63/65/483856365.db2.gz XOZFYTZGRODRLW-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1=O ZINC000603815115 483856240 /nfs/dbraw/zinc/85/62/40/483856240.db2.gz XOZFYTZGRODRLW-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1=O ZINC000603815116 483856314 /nfs/dbraw/zinc/85/63/14/483856314.db2.gz XOZFYTZGRODRLW-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN CC(=O)N1CCN(CCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000603819646 483856466 /nfs/dbraw/zinc/85/64/66/483856466.db2.gz IKVLBUDNNQOZMC-FQEVSTJZSA-N 0 3 374.485 -0.096 20 0 FBADHN CC(=O)N1CCN(CCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000603819647 483856553 /nfs/dbraw/zinc/85/65/53/483856553.db2.gz IKVLBUDNNQOZMC-HXUWFJFHSA-N 0 3 374.485 -0.096 20 0 FBADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(CCN(C)C)CC1 ZINC000604019008 483859783 /nfs/dbraw/zinc/85/97/83/483859783.db2.gz NDVGUNQDOGJMDJ-UHFFFAOYSA-N 0 3 358.464 -0.137 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1=O ZINC000604111554 483860659 /nfs/dbraw/zinc/86/06/59/483860659.db2.gz KNGUHVDFQYWNCE-INIZCTEOSA-N 0 3 369.510 -0.315 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1=O ZINC000604111555 483860543 /nfs/dbraw/zinc/86/05/43/483860543.db2.gz KNGUHVDFQYWNCE-MRXNPFEDSA-N 0 3 369.510 -0.315 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000604120222 483860642 /nfs/dbraw/zinc/86/06/42/483860642.db2.gz LNDHGRWKGHEGAL-HNNXBMFYSA-N 0 3 365.478 -0.055 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000604120224 483860514 /nfs/dbraw/zinc/86/05/14/483860514.db2.gz LNDHGRWKGHEGAL-OAHLLOKOSA-N 0 3 365.478 -0.055 20 0 FBADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c(C)c1 ZINC000604137253 483860685 /nfs/dbraw/zinc/86/06/85/483860685.db2.gz QJUXGWLYFYCJPI-GFCCVEGCSA-N 0 3 367.402 -0.476 20 0 FBADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c(C)c1 ZINC000604137258 483860639 /nfs/dbraw/zinc/86/06/39/483860639.db2.gz QJUXGWLYFYCJPI-LBPRGKRZSA-N 0 3 367.402 -0.476 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000604157879 483861078 /nfs/dbraw/zinc/86/10/78/483861078.db2.gz RAIDLULAAMLPMU-HNNXBMFYSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000604157880 483860934 /nfs/dbraw/zinc/86/09/34/483860934.db2.gz RAIDLULAAMLPMU-OAHLLOKOSA-N 0 3 367.494 -0.345 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000604158260 483860991 /nfs/dbraw/zinc/86/09/91/483860991.db2.gz ZLTVYUJLGADLPS-HNNXBMFYSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000604158266 483861064 /nfs/dbraw/zinc/86/10/64/483861064.db2.gz ZLTVYUJLGADLPS-OAHLLOKOSA-N 0 3 369.510 -0.051 20 0 FBADHN CN(C)CCOC1CCN(C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000604172113 483861482 /nfs/dbraw/zinc/86/14/82/483861482.db2.gz VPIRWASUWVCTAN-UHFFFAOYSA-N 0 3 369.510 -0.097 20 0 FBADHN CCS(=O)(=O)NCCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000604173988 483861654 /nfs/dbraw/zinc/86/16/54/483861654.db2.gz VFPRTCJUWZBPSH-UHFFFAOYSA-N 0 3 350.485 -0.322 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000604178811 483861204 /nfs/dbraw/zinc/86/12/04/483861204.db2.gz GNCXUWJTDDGSEL-CVEARBPZSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000604178814 483861133 /nfs/dbraw/zinc/86/11/33/483861133.db2.gz GNCXUWJTDDGSEL-HOTGVXAUSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000604178816 483861087 /nfs/dbraw/zinc/86/10/87/483861087.db2.gz GNCXUWJTDDGSEL-HZPDHXFCSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000604178818 483861017 /nfs/dbraw/zinc/86/10/17/483861017.db2.gz GNCXUWJTDDGSEL-JKSUJKDBSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000604182848 483861142 /nfs/dbraw/zinc/86/11/42/483861142.db2.gz QQROXJXYPKDRKT-CVEARBPZSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000604182849 483861074 /nfs/dbraw/zinc/86/10/74/483861074.db2.gz QQROXJXYPKDRKT-HOTGVXAUSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000604182850 483861057 /nfs/dbraw/zinc/86/10/57/483861057.db2.gz QQROXJXYPKDRKT-HZPDHXFCSA-N 0 3 369.510 -0.051 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000604182851 483861045 /nfs/dbraw/zinc/86/10/45/483861045.db2.gz QQROXJXYPKDRKT-JKSUJKDBSA-N 0 3 369.510 -0.051 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000604188346 483861636 /nfs/dbraw/zinc/86/16/36/483861636.db2.gz MFCCTEVEZYAZIF-CYBMUJFWSA-N 0 3 359.496 -0.901 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000604188347 483861497 /nfs/dbraw/zinc/86/14/97/483861497.db2.gz MFCCTEVEZYAZIF-ZDUSSCGKSA-N 0 3 359.496 -0.901 20 0 FBADHN CN(C)CCOC1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000604189245 483861715 /nfs/dbraw/zinc/86/17/15/483861715.db2.gz HRVDZJGBHWMPFQ-UHFFFAOYSA-N 0 3 364.450 -0.041 20 0 FBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000604196258 483862128 /nfs/dbraw/zinc/86/21/28/483862128.db2.gz BXMMBZSKYIITIJ-HNNXBMFYSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000604196259 483862112 /nfs/dbraw/zinc/86/21/12/483862112.db2.gz BXMMBZSKYIITIJ-OAHLLOKOSA-N 0 3 367.494 -0.345 20 0 FBADHN O=C(C(=O)N1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1)N1CCCC1 ZINC000604203427 483862302 /nfs/dbraw/zinc/86/23/02/483862302.db2.gz HRIQCMHJMLJCEE-AWEZNQCLSA-N 0 3 363.462 -0.301 20 0 FBADHN O=C(C(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)N1CCCC1 ZINC000604203428 483862787 /nfs/dbraw/zinc/86/27/87/483862787.db2.gz HRIQCMHJMLJCEE-CQSZACIVSA-N 0 3 363.462 -0.301 20 0 FBADHN CN(C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000604209909 483862115 /nfs/dbraw/zinc/86/21/15/483862115.db2.gz XNNHUIJWTQHHMP-DZGCQCFKSA-N 0 3 358.508 -0.017 20 0 FBADHN CN(C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000604209911 483862329 /nfs/dbraw/zinc/86/23/29/483862329.db2.gz XNNHUIJWTQHHMP-HIFRSBDPSA-N 0 3 358.508 -0.017 20 0 FBADHN CN(C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000604209912 483862024 /nfs/dbraw/zinc/86/20/24/483862024.db2.gz XNNHUIJWTQHHMP-UKRRQHHQSA-N 0 3 358.508 -0.017 20 0 FBADHN CN(C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000604209913 483862045 /nfs/dbraw/zinc/86/20/45/483862045.db2.gz XNNHUIJWTQHHMP-ZFWWWQNUSA-N 0 3 358.508 -0.017 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000604346112 483864849 /nfs/dbraw/zinc/86/48/49/483864849.db2.gz HWWFCXBGDDHIDC-GFCCVEGCSA-N 0 3 361.446 -0.011 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000604346113 483864705 /nfs/dbraw/zinc/86/47/05/483864705.db2.gz HWWFCXBGDDHIDC-LBPRGKRZSA-N 0 3 361.446 -0.011 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604350338 483864759 /nfs/dbraw/zinc/86/47/59/483864759.db2.gz XMQMROMCIJWDAY-INIZCTEOSA-N 0 3 353.511 -0.319 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604350339 483864883 /nfs/dbraw/zinc/86/48/83/483864883.db2.gz XMQMROMCIJWDAY-MRXNPFEDSA-N 0 3 353.511 -0.319 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000604350615 483864797 /nfs/dbraw/zinc/86/47/97/483864797.db2.gz JGKGYZBEHXHSDN-AWEZNQCLSA-N 0 3 360.524 -0.057 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000604350616 483864822 /nfs/dbraw/zinc/86/48/22/483864822.db2.gz JGKGYZBEHXHSDN-CQSZACIVSA-N 0 3 360.524 -0.057 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)C1 ZINC000604350691 483864546 /nfs/dbraw/zinc/86/45/46/483864546.db2.gz MKDNKPQZZWPKJR-CABCVRRESA-N 0 3 358.508 -0.351 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)C1 ZINC000604350692 483864599 /nfs/dbraw/zinc/86/45/99/483864599.db2.gz MKDNKPQZZWPKJR-GJZGRUSLSA-N 0 3 358.508 -0.351 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)C1 ZINC000604350693 483864541 /nfs/dbraw/zinc/86/45/41/483864541.db2.gz MKDNKPQZZWPKJR-HUUCEWRRSA-N 0 3 358.508 -0.351 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)C1 ZINC000604350694 483864660 /nfs/dbraw/zinc/86/46/60/483864660.db2.gz MKDNKPQZZWPKJR-LSDHHAIUSA-N 0 3 358.508 -0.351 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)C1 ZINC000604351220 483864456 /nfs/dbraw/zinc/86/44/56/483864456.db2.gz IVXHJBCFHDJDSA-HNNXBMFYSA-N 0 3 373.523 -0.860 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)C1 ZINC000604351221 483864145 /nfs/dbraw/zinc/86/41/45/483864145.db2.gz IVXHJBCFHDJDSA-OAHLLOKOSA-N 0 3 373.523 -0.860 20 0 FBADHN Cn1ncc2c1ncn(CC(=O)N1CCN([C@H]3CCCN(C)C3)CC1)c2=O ZINC000604351318 483864328 /nfs/dbraw/zinc/86/43/28/483864328.db2.gz MAJZOGWLSWBXAG-AWEZNQCLSA-N 0 3 373.461 -0.632 20 0 FBADHN Cn1ncc2c1ncn(CC(=O)N1CCN([C@@H]3CCCN(C)C3)CC1)c2=O ZINC000604351319 483864629 /nfs/dbraw/zinc/86/46/29/483864629.db2.gz MAJZOGWLSWBXAG-CQSZACIVSA-N 0 3 373.461 -0.632 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)C1 ZINC000604351810 483864522 /nfs/dbraw/zinc/86/45/22/483864522.db2.gz CEMDQCCJWXBUHY-AWEZNQCLSA-N 0 3 351.451 -0.443 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)C1 ZINC000604351811 483864619 /nfs/dbraw/zinc/86/46/19/483864619.db2.gz CEMDQCCJWXBUHY-CQSZACIVSA-N 0 3 351.451 -0.443 20 0 FBADHN Cn1nnnc1SCCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604351897 483864805 /nfs/dbraw/zinc/86/48/05/483864805.db2.gz GSPONCDFKDGVDV-CYBMUJFWSA-N 0 3 353.496 -0.069 20 0 FBADHN Cn1nnnc1SCCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604351898 483864871 /nfs/dbraw/zinc/86/48/71/483864871.db2.gz GSPONCDFKDGVDV-ZDUSSCGKSA-N 0 3 353.496 -0.069 20 0 FBADHN NS(=O)(=O)c1cccnc1NCCCCN1CCN(CCO)CC1 ZINC000604378232 483865948 /nfs/dbraw/zinc/86/59/48/483865948.db2.gz MYNHOHVWGWGDRZ-UHFFFAOYSA-N 0 3 357.480 -0.469 20 0 FBADHN Cn1c(N2CCN([C@@H]3CCCN(C)C3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000604379629 483865907 /nfs/dbraw/zinc/86/59/07/483865907.db2.gz XHKZINJXORGUPF-GFCCVEGCSA-N 0 3 361.450 -0.411 20 0 FBADHN Cn1c(N2CCN([C@H]3CCCN(C)C3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000604379630 483865807 /nfs/dbraw/zinc/86/58/07/483865807.db2.gz XHKZINJXORGUPF-LBPRGKRZSA-N 0 3 361.450 -0.411 20 0 FBADHN CN1CCC[C@H](N2CCN(CC(=O)NCC(=O)NC(C)(C)C)CC2)C1 ZINC000604389010 483865844 /nfs/dbraw/zinc/86/58/44/483865844.db2.gz LFUIQERJDZSBKB-HNNXBMFYSA-N 0 3 353.511 -0.271 20 0 FBADHN CN1CCC[C@@H](N2CCN(CC(=O)NCC(=O)NC(C)(C)C)CC2)C1 ZINC000604389011 483865827 /nfs/dbraw/zinc/86/58/27/483865827.db2.gz LFUIQERJDZSBKB-OAHLLOKOSA-N 0 3 353.511 -0.271 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604389234 483865798 /nfs/dbraw/zinc/86/57/98/483865798.db2.gz ISAKSCHKZAFHIB-DOTOQJQBSA-N 0 3 365.522 -0.176 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604389235 483865565 /nfs/dbraw/zinc/86/55/65/483865565.db2.gz ISAKSCHKZAFHIB-NVXWUHKLSA-N 0 3 365.522 -0.176 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604389236 483865708 /nfs/dbraw/zinc/86/57/08/483865708.db2.gz ISAKSCHKZAFHIB-RDJZCZTQSA-N 0 3 365.522 -0.176 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604389237 483865888 /nfs/dbraw/zinc/86/58/88/483865888.db2.gz ISAKSCHKZAFHIB-WBVHZDCISA-N 0 3 365.522 -0.176 20 0 FBADHN CCCNC(=O)CN(C)C(=O)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604389454 483865624 /nfs/dbraw/zinc/86/56/24/483865624.db2.gz RTMKYPVHFHQKBO-INIZCTEOSA-N 0 3 353.511 -0.317 20 0 FBADHN CCCNC(=O)CN(C)C(=O)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604389455 483865554 /nfs/dbraw/zinc/86/55/54/483865554.db2.gz RTMKYPVHFHQKBO-MRXNPFEDSA-N 0 3 353.511 -0.317 20 0 FBADHN COCCN(C)CCNC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604587793 483869902 /nfs/dbraw/zinc/86/99/02/483869902.db2.gz NARLVCJQXDRXCQ-UHFFFAOYSA-N 0 3 362.427 -0.150 20 0 FBADHN CN(CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000604605106 483870339 /nfs/dbraw/zinc/87/03/39/483870339.db2.gz QMLFCNPVJRBCKL-CVEARBPZSA-N 0 3 372.535 -0.656 20 0 FBADHN CN(CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000604605107 483870357 /nfs/dbraw/zinc/87/03/57/483870357.db2.gz QMLFCNPVJRBCKL-HOTGVXAUSA-N 0 3 372.535 -0.656 20 0 FBADHN CN(CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000604605108 483870382 /nfs/dbraw/zinc/87/03/82/483870382.db2.gz QMLFCNPVJRBCKL-HZPDHXFCSA-N 0 3 372.535 -0.656 20 0 FBADHN CN(CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000604605109 483870084 /nfs/dbraw/zinc/87/00/84/483870084.db2.gz QMLFCNPVJRBCKL-JKSUJKDBSA-N 0 3 372.535 -0.656 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604605236 483870107 /nfs/dbraw/zinc/87/01/07/483870107.db2.gz ZHELGLVBEWDUIO-CYBMUJFWSA-N 0 3 369.491 -0.476 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604605237 483870210 /nfs/dbraw/zinc/87/02/10/483870210.db2.gz ZHELGLVBEWDUIO-ZDUSSCGKSA-N 0 3 369.491 -0.476 20 0 FBADHN CCN1CCN(CCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000604606435 483870306 /nfs/dbraw/zinc/87/03/06/483870306.db2.gz WPBVOTNPVGRMHZ-GOSISDBHSA-N 0 3 367.538 -0.463 20 0 FBADHN CCN1CCN(CCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000604606436 483870350 /nfs/dbraw/zinc/87/03/50/483870350.db2.gz WPBVOTNPVGRMHZ-SFHVURJKSA-N 0 3 367.538 -0.463 20 0 FBADHN C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604630903 483871414 /nfs/dbraw/zinc/87/14/14/483871414.db2.gz IWGFVMLFAYPSNV-CVEARBPZSA-N 0 3 350.467 -0.023 20 0 FBADHN C[C@@H](Cn1ccnc1)NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604630904 483871104 /nfs/dbraw/zinc/87/11/04/483871104.db2.gz IWGFVMLFAYPSNV-HOTGVXAUSA-N 0 3 350.467 -0.023 20 0 FBADHN C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604630905 483871474 /nfs/dbraw/zinc/87/14/74/483871474.db2.gz IWGFVMLFAYPSNV-HZPDHXFCSA-N 0 3 350.467 -0.023 20 0 FBADHN C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604630906 483871144 /nfs/dbraw/zinc/87/11/44/483871144.db2.gz IWGFVMLFAYPSNV-JKSUJKDBSA-N 0 3 350.467 -0.023 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)C1 ZINC000604636839 483871159 /nfs/dbraw/zinc/87/11/59/483871159.db2.gz YZMAQJVDQCWFBU-INIZCTEOSA-N 0 3 367.494 -0.343 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)C1 ZINC000604636840 483871316 /nfs/dbraw/zinc/87/13/16/483871316.db2.gz YZMAQJVDQCWFBU-MRXNPFEDSA-N 0 3 367.494 -0.343 20 0 FBADHN Cc1nccn1CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604648839 483871440 /nfs/dbraw/zinc/87/14/40/483871440.db2.gz XRGCRWSGOPFPKZ-INIZCTEOSA-N 0 3 350.467 -0.103 20 0 FBADHN Cc1nccn1CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604648840 483871390 /nfs/dbraw/zinc/87/13/90/483871390.db2.gz XRGCRWSGOPFPKZ-MRXNPFEDSA-N 0 3 350.467 -0.103 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NCCCN3C(=O)CCC3=O)CC2)C1 ZINC000604652500 483871147 /nfs/dbraw/zinc/87/11/47/483871147.db2.gz VNWPDSIZONRACI-HNNXBMFYSA-N 0 3 365.478 -0.053 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NCCCN3C(=O)CCC3=O)CC2)C1 ZINC000604652501 483871399 /nfs/dbraw/zinc/87/13/99/483871399.db2.gz VNWPDSIZONRACI-OAHLLOKOSA-N 0 3 365.478 -0.053 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000604654361 483872314 /nfs/dbraw/zinc/87/23/14/483872314.db2.gz QDEQUETYEMREQO-DLBZAZTESA-N 0 3 352.527 -0.346 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)C1 ZINC000604654362 483872544 /nfs/dbraw/zinc/87/25/44/483872544.db2.gz QDEQUETYEMREQO-IAGOWNOFSA-N 0 3 352.527 -0.346 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)C1 ZINC000604654363 483872268 /nfs/dbraw/zinc/87/22/68/483872268.db2.gz QDEQUETYEMREQO-IRXDYDNUSA-N 0 3 352.527 -0.346 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)C1 ZINC000604654364 483872569 /nfs/dbraw/zinc/87/25/69/483872569.db2.gz QDEQUETYEMREQO-SJORKVTESA-N 0 3 352.527 -0.346 20 0 FBADHN O=C(NCCN1CCSCC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604655435 483871760 /nfs/dbraw/zinc/87/17/60/483871760.db2.gz ROJHKWPJEBEXKM-INIZCTEOSA-N 0 3 371.551 -0.259 20 0 FBADHN O=C(NCCN1CCSCC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604655436 483871653 /nfs/dbraw/zinc/87/16/53/483871653.db2.gz ROJHKWPJEBEXKM-MRXNPFEDSA-N 0 3 371.551 -0.259 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)C1 ZINC000604655702 483871675 /nfs/dbraw/zinc/87/16/75/483871675.db2.gz CLCKBXHWMGAJBI-AWEZNQCLSA-N 0 3 351.451 -0.443 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)C1 ZINC000604655703 483871796 /nfs/dbraw/zinc/87/17/96/483871796.db2.gz CLCKBXHWMGAJBI-CQSZACIVSA-N 0 3 351.451 -0.443 20 0 FBADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604656079 483871969 /nfs/dbraw/zinc/87/19/69/483871969.db2.gz AKNGDQXJVJXLMI-CVEARBPZSA-N 0 3 351.495 -0.071 20 0 FBADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604656080 483871906 /nfs/dbraw/zinc/87/19/06/483871906.db2.gz AKNGDQXJVJXLMI-HOTGVXAUSA-N 0 3 351.495 -0.071 20 0 FBADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604656081 483872015 /nfs/dbraw/zinc/87/20/15/483872015.db2.gz AKNGDQXJVJXLMI-HZPDHXFCSA-N 0 3 351.495 -0.071 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604656082 483871872 /nfs/dbraw/zinc/87/18/72/483871872.db2.gz AKNGDQXJVJXLMI-JKSUJKDBSA-N 0 3 351.495 -0.071 20 0 FBADHN O=C(NCCNc1ccncc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604667754 483872437 /nfs/dbraw/zinc/87/24/37/483872437.db2.gz JGBYPIXJNUAKKG-KRWDZBQOSA-N 0 3 362.478 -0.379 20 0 FBADHN O=C(NCCNc1ccncc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604667755 483872152 /nfs/dbraw/zinc/87/21/52/483872152.db2.gz JGBYPIXJNUAKKG-QGZVFWFLSA-N 0 3 362.478 -0.379 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000604788506 483873943 /nfs/dbraw/zinc/87/39/43/483873943.db2.gz NXUAKZRAEAGXRO-GFCCVEGCSA-N 0 3 358.464 -0.505 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000604788507 483874233 /nfs/dbraw/zinc/87/42/33/483874233.db2.gz NXUAKZRAEAGXRO-LBPRGKRZSA-N 0 3 358.464 -0.505 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000604789080 483874071 /nfs/dbraw/zinc/87/40/71/483874071.db2.gz YUVRLJOLNZQAEE-CABCVRRESA-N 0 3 361.508 -0.686 20 0 FBADHN CC1CCN(C[C@@H](O)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000604789081 483873947 /nfs/dbraw/zinc/87/39/47/483873947.db2.gz YUVRLJOLNZQAEE-GJZGRUSLSA-N 0 3 361.508 -0.686 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000604789082 483873740 /nfs/dbraw/zinc/87/37/40/483873740.db2.gz YUVRLJOLNZQAEE-HUUCEWRRSA-N 0 3 361.508 -0.686 20 0 FBADHN CC1CCN(C[C@H](O)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000604789083 483874230 /nfs/dbraw/zinc/87/42/30/483874230.db2.gz YUVRLJOLNZQAEE-LSDHHAIUSA-N 0 3 361.508 -0.686 20 0 FBADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000604889524 483875888 /nfs/dbraw/zinc/87/58/88/483875888.db2.gz WHQVNJZGGPBQKA-LLVKDONJSA-N 0 3 355.416 -0.031 20 0 FBADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000604889525 483875969 /nfs/dbraw/zinc/87/59/69/483875969.db2.gz WHQVNJZGGPBQKA-NSHDSACASA-N 0 3 355.416 -0.031 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063667 483883038 /nfs/dbraw/zinc/88/30/38/483883038.db2.gz QUEGVKQYAFEEGQ-UHFFFAOYSA-N 0 3 362.430 -0.005 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605065685 483883001 /nfs/dbraw/zinc/88/30/01/483883001.db2.gz BUNNHFQBRMLACX-UHFFFAOYSA-N 0 3 362.430 -0.052 20 0 FBADHN CCN(C)CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000605181665 483885017 /nfs/dbraw/zinc/88/50/17/483885017.db2.gz BTGDXCNWUBUGKW-UHFFFAOYSA-N 0 3 370.475 -0.265 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)NC2CCN(CCN(C)C)CC2)CCO1 ZINC000605217620 483401205 /nfs/dbraw/zinc/40/12/05/483401205.db2.gz AWCRMYQFNSJOOY-INIZCTEOSA-N 0 3 355.483 -0.441 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)NC2CCN(CCN(C)C)CC2)CCO1 ZINC000605217621 483401833 /nfs/dbraw/zinc/40/18/33/483401833.db2.gz AWCRMYQFNSJOOY-MRXNPFEDSA-N 0 3 355.483 -0.441 20 0 FBADHN Cc1cnn(CCNC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000605229513 483402930 /nfs/dbraw/zinc/40/29/30/483402930.db2.gz FBOKZWIIFRKEIF-UHFFFAOYSA-N 0 3 352.483 -0.119 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000605239356 483405503 /nfs/dbraw/zinc/40/55/03/483405503.db2.gz AMFCQCVCBNWRLT-UHFFFAOYSA-N 0 3 372.422 -0.018 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000605239402 483405270 /nfs/dbraw/zinc/40/52/70/483405270.db2.gz RAHKWDCCIDOWFZ-UHFFFAOYSA-N 0 3 368.459 -0.462 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000605239476 483404923 /nfs/dbraw/zinc/40/49/23/483404923.db2.gz KLGJORNEAHEIQZ-UHFFFAOYSA-N 0 3 354.432 -0.256 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000605239507 483405781 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ZINC000612446655 485211547 /nfs/dbraw/zinc/21/15/47/485211547.db2.gz WSMZDOOCQYUBPE-ZFWWWQNUSA-N 0 3 366.462 -0.517 20 0 FBADHN O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000612447664 485211382 /nfs/dbraw/zinc/21/13/82/485211382.db2.gz SBDZQIMBAVIPRU-BHYGNILZSA-N 0 3 364.490 -0.213 20 0 FBADHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000612447666 485211639 /nfs/dbraw/zinc/21/16/39/485211639.db2.gz SBDZQIMBAVIPRU-HYVNUMGLSA-N 0 3 364.490 -0.213 20 0 FBADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000612465133 485212629 /nfs/dbraw/zinc/21/26/29/485212629.db2.gz NMVOAHHGIWWOST-SECBINFHSA-N 0 3 353.448 -0.153 20 0 FBADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000612465134 485213121 /nfs/dbraw/zinc/21/31/21/485213121.db2.gz NMVOAHHGIWWOST-VIFPVBQESA-N 0 3 353.448 -0.153 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CCc3ccc(O)cc32)CC1=O ZINC000612472357 485213956 /nfs/dbraw/zinc/21/39/56/485213956.db2.gz OVTPXFDHLCVNCJ-INIZCTEOSA-N 0 3 374.441 -0.272 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCc3ccc(O)cc32)CC1=O ZINC000612472359 485214543 /nfs/dbraw/zinc/21/45/43/485214543.db2.gz OVTPXFDHLCVNCJ-MRXNPFEDSA-N 0 3 374.441 -0.272 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000612480000 485214494 /nfs/dbraw/zinc/21/44/94/485214494.db2.gz FYMFCKFRALGSHZ-HRCADAONSA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000612480002 485213993 /nfs/dbraw/zinc/21/39/93/485213993.db2.gz FYMFCKFRALGSHZ-OWCLPIDISA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000612481619 485214578 /nfs/dbraw/zinc/21/45/78/485214578.db2.gz DEJDJNSZTIZDEK-AWEZNQCLSA-N 0 3 355.483 -0.047 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000612481620 485214122 /nfs/dbraw/zinc/21/41/22/485214122.db2.gz DEJDJNSZTIZDEK-CQSZACIVSA-N 0 3 355.483 -0.047 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000612481765 485214301 /nfs/dbraw/zinc/21/43/01/485214301.db2.gz FKCZFICQWXTTJW-RBSFLKMASA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000612481767 485213852 /nfs/dbraw/zinc/21/38/52/485213852.db2.gz FKCZFICQWXTTJW-RRFJBIMHSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000612482341 485214741 /nfs/dbraw/zinc/21/47/41/485214741.db2.gz MMZGPQJCGKITCO-CHWSQXEVSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000612482342 485214409 /nfs/dbraw/zinc/21/44/09/485214409.db2.gz MMZGPQJCGKITCO-OLZOCXBDSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000612482343 485214110 /nfs/dbraw/zinc/21/41/10/485214110.db2.gz MMZGPQJCGKITCO-QWHCGFSZSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000612482344 485214030 /nfs/dbraw/zinc/21/40/30/485214030.db2.gz MMZGPQJCGKITCO-STQMWFEESA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000612482479 485214532 /nfs/dbraw/zinc/21/45/32/485214532.db2.gz NDDYEPNBMVINEZ-CVEARBPZSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000612482480 485214426 /nfs/dbraw/zinc/21/44/26/485214426.db2.gz NDDYEPNBMVINEZ-HOTGVXAUSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000612482481 485214240 /nfs/dbraw/zinc/21/42/40/485214240.db2.gz NDDYEPNBMVINEZ-HZPDHXFCSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000612482482 485214811 /nfs/dbraw/zinc/21/48/11/485214811.db2.gz NDDYEPNBMVINEZ-JKSUJKDBSA-N 0 3 352.479 -0.234 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC000612482942 485212669 /nfs/dbraw/zinc/21/26/69/485212669.db2.gz UKBHEYALVDZZFB-KBPBESRZSA-N 0 3 354.451 -0.804 20 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/nfs/dbraw/zinc/21/53/63/485215363.db2.gz VLHKUDWLTQXHEO-GDBMZVCRSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC000612487001 485215900 /nfs/dbraw/zinc/21/59/00/485215900.db2.gz VLHKUDWLTQXHEO-GOEBONIOSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC000612487002 485215646 /nfs/dbraw/zinc/21/56/46/485215646.db2.gz VLHKUDWLTQXHEO-HOCLYGCPSA-N 0 3 368.478 -0.414 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CCO1 ZINC000612487003 485215627 /nfs/dbraw/zinc/21/56/27/485215627.db2.gz VLHKUDWLTQXHEO-ZBFHGGJFSA-N 0 3 368.478 -0.414 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000612487328 485215298 /nfs/dbraw/zinc/21/52/98/485215298.db2.gz SAFAEAQQZHPPDB-AWEZNQCLSA-N 0 3 374.507 -0.673 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000612487329 485215438 /nfs/dbraw/zinc/21/54/38/485215438.db2.gz SAFAEAQQZHPPDB-CQSZACIVSA-N 0 3 374.507 -0.673 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000612518904 485219019 /nfs/dbraw/zinc/21/90/19/485219019.db2.gz FKASIRBYFUVHNM-AAEUAGOBSA-N 0 3 368.459 -0.202 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000612518906 485218671 /nfs/dbraw/zinc/21/86/71/485218671.db2.gz FKASIRBYFUVHNM-DGCLKSJQSA-N 0 3 368.459 -0.202 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000612518907 485219260 /nfs/dbraw/zinc/21/92/60/485219260.db2.gz FKASIRBYFUVHNM-WCQYABFASA-N 0 3 368.459 -0.202 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000612518908 485219689 /nfs/dbraw/zinc/21/96/89/485219689.db2.gz FKASIRBYFUVHNM-YPMHNXCESA-N 0 3 368.459 -0.202 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCN(C3CC3)C2=O)CC1 ZINC000612521622 485218259 /nfs/dbraw/zinc/21/82/59/485218259.db2.gz AYNMJMVBPKZGMP-HNNXBMFYSA-N 0 3 363.462 -0.349 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCN(C3CC3)C2=O)CC1 ZINC000612521623 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COC(=O)c1cn(C2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)nn1 ZINC000612770597 485241886 /nfs/dbraw/zinc/24/18/86/485241886.db2.gz ZFPBWISKCLQGLC-OAHLLOKOSA-N 0 3 362.434 -0.382 20 0 FBADHN CCn1nccc1CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000612826970 485243389 /nfs/dbraw/zinc/24/33/89/485243389.db2.gz UIGYCSYONZTWLP-INIZCTEOSA-N 0 3 362.478 -0.242 20 0 FBADHN CCn1nccc1CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000612826971 485244200 /nfs/dbraw/zinc/24/42/00/485244200.db2.gz UIGYCSYONZTWLP-MRXNPFEDSA-N 0 3 362.478 -0.242 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000612837076 485246856 /nfs/dbraw/zinc/24/68/56/485246856.db2.gz GLDRRLDASRGFBB-CYBMUJFWSA-N 0 3 350.485 -0.322 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000612837077 485246506 /nfs/dbraw/zinc/24/65/06/485246506.db2.gz GLDRRLDASRGFBB-ZDUSSCGKSA-N 0 3 350.485 -0.322 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000612837212 485246248 /nfs/dbraw/zinc/24/62/48/485246248.db2.gz 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/nfs/dbraw/zinc/25/25/41/485252541.db2.gz WACSILXUQNAXPH-UHFFFAOYSA-N 0 3 358.395 -0.643 20 0 FBADHN COC(=O)c1csc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1C ZINC000613033269 485254978 /nfs/dbraw/zinc/25/49/78/485254978.db2.gz AQBDHSZEFBFRLB-HNNXBMFYSA-N 0 3 355.416 -0.036 20 0 FBADHN COC(=O)c1csc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1C ZINC000613033270 485255112 /nfs/dbraw/zinc/25/51/12/485255112.db2.gz AQBDHSZEFBFRLB-OAHLLOKOSA-N 0 3 355.416 -0.036 20 0 FBADHN COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000613033286 485254649 /nfs/dbraw/zinc/25/46/49/485254649.db2.gz LVAXQOJKUJXOFQ-KRWDZBQOSA-N 0 3 365.386 -0.397 20 0 FBADHN COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000613033287 485254998 /nfs/dbraw/zinc/25/49/98/485254998.db2.gz LVAXQOJKUJXOFQ-QGZVFWFLSA-N 0 3 365.386 -0.397 20 0 FBADHN COC(=O)c1cn([C@H]2CCCN(C(=O)[C@H]3CN4CCN3CCC4)C2)nn1 ZINC000613040575 485254471 /nfs/dbraw/zinc/25/44/71/485254471.db2.gz YZDRJOFIDFHAKH-DZGCQCFKSA-N 0 3 362.434 -0.382 20 0 FBADHN COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)nn1 ZINC000613040576 485254783 /nfs/dbraw/zinc/25/47/83/485254783.db2.gz YZDRJOFIDFHAKH-HIFRSBDPSA-N 0 3 362.434 -0.382 20 0 FBADHN COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@H]3CN4CCN3CCC4)C2)nn1 ZINC000613040577 485255238 /nfs/dbraw/zinc/25/52/38/485255238.db2.gz YZDRJOFIDFHAKH-UKRRQHHQSA-N 0 3 362.434 -0.382 20 0 FBADHN COC(=O)c1cn([C@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)nn1 ZINC000613040578 485255195 /nfs/dbraw/zinc/25/51/95/485255195.db2.gz YZDRJOFIDFHAKH-ZFWWWQNUSA-N 0 3 362.434 -0.382 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000613051122 485255032 /nfs/dbraw/zinc/25/50/32/485255032.db2.gz LYZIXDBXSWZELR-OLZOCXBDSA-N 0 3 364.512 -0.477 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000613051123 485254944 /nfs/dbraw/zinc/25/49/44/485254944.db2.gz LYZIXDBXSWZELR-STQMWFEESA-N 0 3 364.512 -0.477 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCN=C2C1=NNN2C)C(=O)NCCN(C)C ZINC000613051490 485254667 /nfs/dbraw/zinc/25/46/67/485254667.db2.gz SRMDRPACLRSSCC-OLZOCXBDSA-N 0 3 365.482 -0.581 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@H]1CCN=C2C1=NNN2C)C(=O)NCCN(C)C ZINC000613051491 485254582 /nfs/dbraw/zinc/25/45/82/485254582.db2.gz SRMDRPACLRSSCC-STQMWFEESA-N 0 3 365.482 -0.581 20 0 FBADHN CC(C)C[C@H](NC(=O)c1nc2n(n1)CCCN2)C(=O)NCCN(C)C ZINC000613051583 485254572 /nfs/dbraw/zinc/25/45/72/485254572.db2.gz VAAPPQYFNVUTTF-LBPRGKRZSA-N 0 3 351.455 -0.827 20 0 FBADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nc2n(n1)CCCN2 ZINC000613087937 485263566 /nfs/dbraw/zinc/26/35/66/485263566.db2.gz LSRRXMYWXXIYSH-CVEARBPZSA-N 0 3 370.457 -0.036 20 0 FBADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nc2n(n1)CCCN2 ZINC000613087938 485263707 /nfs/dbraw/zinc/26/37/07/485263707.db2.gz LSRRXMYWXXIYSH-HOTGVXAUSA-N 0 3 370.457 -0.036 20 0 FBADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nc2n(n1)CCCN2 ZINC000613087939 485263240 /nfs/dbraw/zinc/26/32/40/485263240.db2.gz LSRRXMYWXXIYSH-HZPDHXFCSA-N 0 3 370.457 -0.036 20 0 FBADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nc2n(n1)CCCN2 ZINC000613087940 485264106 /nfs/dbraw/zinc/26/41/06/485264106.db2.gz LSRRXMYWXXIYSH-JKSUJKDBSA-N 0 3 370.457 -0.036 20 0 FBADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC(=O)NC(=O)N1 ZINC000613088544 485263594 /nfs/dbraw/zinc/26/35/94/485263594.db2.gz QNDFVADRHRXZIA-ILXRZTDVSA-N 0 3 360.414 -0.416 20 0 FBADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC(=O)NC(=O)N1 ZINC000613088545 485263611 /nfs/dbraw/zinc/26/36/11/485263611.db2.gz QNDFVADRHRXZIA-KFWWJZLASA-N 0 3 360.414 -0.416 20 0 FBADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@@H]1CC(=O)NC(=O)N1 ZINC000613088546 485263479 /nfs/dbraw/zinc/26/34/79/485263479.db2.gz QNDFVADRHRXZIA-KKUMJFAQSA-N 0 3 360.414 -0.416 20 0 FBADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@@H]1CC(=O)NC(=O)N1 ZINC000613088547 485263741 /nfs/dbraw/zinc/26/37/41/485263741.db2.gz QNDFVADRHRXZIA-ZNMIVQPWSA-N 0 3 360.414 -0.416 20 0 FBADHN CC(C)N1CCN(C2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)CC1 ZINC000613104765 485267214 /nfs/dbraw/zinc/26/72/14/485267214.db2.gz JGGYXUIDAQYHBC-AWEZNQCLSA-N 0 3 351.451 -0.399 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(C(=O)NCCO)cc2)CC1=O ZINC000613115752 485268521 /nfs/dbraw/zinc/26/85/21/485268521.db2.gz KLFXRCNBRJTJRX-AWEZNQCLSA-N 0 3 362.430 -0.243 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(C(=O)NCCO)cc2)CC1=O ZINC000613115753 485268129 /nfs/dbraw/zinc/26/81/29/485268129.db2.gz KLFXRCNBRJTJRX-CQSZACIVSA-N 0 3 362.430 -0.243 20 0 FBADHN CN(C)S(=O)(=O)NCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000613116489 485270173 /nfs/dbraw/zinc/27/01/73/485270173.db2.gz AGPBRMXPQSAXQW-UHFFFAOYSA-N 0 3 370.475 -0.022 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)ccn1 ZINC000613127227 485274642 /nfs/dbraw/zinc/27/46/42/485274642.db2.gz DEHUKCOJUORUTC-IIAWOOMASA-N 0 3 351.403 -0.949 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)c2cnn(C[C@H](O)CO)c2)ccn1 ZINC000613127241 485274632 /nfs/dbraw/zinc/27/46/32/485274632.db2.gz DOPMUDHQRJHRQA-HNNXBMFYSA-N 0 3 363.418 -0.498 20 0 FBADHN 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/nfs/dbraw/zinc/44/01/41/484440141.db2.gz KBQQAVZAVMRVCZ-UHFFFAOYSA-N 0 3 372.491 -0.019 20 0 FBADHN COc1cccc(CN(CCN(C)C)C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC000613932982 484438443 /nfs/dbraw/zinc/43/84/43/484438443.db2.gz ZFGZEWZMCVGRHC-KZNAEPCWSA-N 0 3 364.442 -0.002 20 0 FBADHN CN1CCC(CC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC000613974691 484439908 /nfs/dbraw/zinc/43/99/08/484439908.db2.gz NQPDCHCZOFKSCJ-UHFFFAOYSA-N 0 3 355.464 -0.026 20 0 FBADHN Cc1nc(NC(=O)c2ccn(CCN(C)C)n2)c(C(=O)NCCO)n1C ZINC000613984165 484444885 /nfs/dbraw/zinc/44/48/85/484444885.db2.gz BYAQZEOBOYVDEQ-UHFFFAOYSA-N 0 3 363.422 -0.539 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C2(n3cnnn3)CCOCC2)CCCO1 ZINC000614016665 484446282 /nfs/dbraw/zinc/44/62/82/484446282.db2.gz BFDMBZLKEKNLDQ-AWEZNQCLSA-N 0 3 352.439 -0.204 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C2(n3cnnn3)CCOCC2)CCCO1 ZINC000614016666 484445967 /nfs/dbraw/zinc/44/59/67/484445967.db2.gz BFDMBZLKEKNLDQ-CQSZACIVSA-N 0 3 352.439 -0.204 20 0 FBADHN C[C@H]1CN(CCCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCCO1 ZINC000614020223 484446553 /nfs/dbraw/zinc/44/65/53/484446553.db2.gz UKYCTRPKBVZQAE-KBPBESRZSA-N 0 3 362.496 -0.481 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCCO1 ZINC000614020228 484446209 /nfs/dbraw/zinc/44/62/09/484446209.db2.gz UKYCTRPKBVZQAE-KGLIPLIRSA-N 0 3 362.496 -0.481 20 0 FBADHN C[C@H]1CN(CCCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCCO1 ZINC000614020229 484446304 /nfs/dbraw/zinc/44/63/04/484446304.db2.gz UKYCTRPKBVZQAE-UONOGXRCSA-N 0 3 362.496 -0.481 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCCO1 ZINC000614020231 484446022 /nfs/dbraw/zinc/44/60/22/484446022.db2.gz UKYCTRPKBVZQAE-ZIAGYGMSSA-N 0 3 362.496 -0.481 20 0 FBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCC[C@](O)(CN(C)C)C2)c(=O)c1 ZINC000614064557 484450407 /nfs/dbraw/zinc/45/04/07/484450407.db2.gz HECIZEXDFIVHJC-MSOLQXFVSA-N 0 3 351.447 -0.177 20 0 FBADHN Cc1ccn(C[C@@](C)(O)C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(=O)c1 ZINC000614064561 484449506 /nfs/dbraw/zinc/44/95/06/484449506.db2.gz HECIZEXDFIVHJC-QZTJIDSGSA-N 0 3 351.447 -0.177 20 0 FBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCC[C@](O)(CN(C)C)C2)c(=O)c1 ZINC000614064564 484449785 /nfs/dbraw/zinc/44/97/85/484449785.db2.gz HECIZEXDFIVHJC-ROUUACIJSA-N 0 3 351.447 -0.177 20 0 FBADHN Cc1ccn(C[C@](C)(O)C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(=O)c1 ZINC000614064566 484449909 /nfs/dbraw/zinc/44/99/09/484449909.db2.gz HECIZEXDFIVHJC-ZWKOTPCHSA-N 0 3 351.447 -0.177 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)C1 ZINC000614064592 484449695 /nfs/dbraw/zinc/44/96/95/484449695.db2.gz QFVLJUGDSJLMEG-INIZCTEOSA-N 0 3 370.475 -0.538 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)C1 ZINC000614064593 484450428 /nfs/dbraw/zinc/45/04/28/484450428.db2.gz QFVLJUGDSJLMEG-MRXNPFEDSA-N 0 3 370.475 -0.538 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC000614064622 484450394 /nfs/dbraw/zinc/45/03/94/484450394.db2.gz QTYDDIVBZRRGCS-GOSISDBHSA-N 0 3 360.414 -0.103 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC000614064623 484449853 /nfs/dbraw/zinc/44/98/53/484449853.db2.gz QTYDDIVBZRRGCS-SFHVURJKSA-N 0 3 360.414 -0.103 20 0 FBADHN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614065675 484449462 /nfs/dbraw/zinc/44/94/62/484449462.db2.gz SAOGRRNEULCPNX-CXAGYDPISA-N 0 3 356.467 -0.692 20 0 FBADHN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614065676 484449675 /nfs/dbraw/zinc/44/96/75/484449675.db2.gz SAOGRRNEULCPNX-DYVFJYSZSA-N 0 3 356.467 -0.692 20 0 FBADHN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614065677 484450440 /nfs/dbraw/zinc/45/04/40/484450440.db2.gz SAOGRRNEULCPNX-GUYCJALGSA-N 0 3 356.467 -0.692 20 0 FBADHN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614065678 484450128 /nfs/dbraw/zinc/45/01/28/484450128.db2.gz SAOGRRNEULCPNX-SUMWQHHRSA-N 0 3 356.467 -0.692 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614065729 484450413 /nfs/dbraw/zinc/45/04/13/484450413.db2.gz TZSFJXJFAHJLEZ-MSOLQXFVSA-N 0 3 351.447 -0.177 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614065730 484449933 /nfs/dbraw/zinc/44/99/33/484449933.db2.gz TZSFJXJFAHJLEZ-QZTJIDSGSA-N 0 3 351.447 -0.177 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614065731 484450080 /nfs/dbraw/zinc/45/00/80/484450080.db2.gz TZSFJXJFAHJLEZ-ROUUACIJSA-N 0 3 351.447 -0.177 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614065732 484449689 /nfs/dbraw/zinc/44/96/89/484449689.db2.gz TZSFJXJFAHJLEZ-ZWKOTPCHSA-N 0 3 351.447 -0.177 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000614067157 484449989 /nfs/dbraw/zinc/44/99/89/484449989.db2.gz OZEQDTNCNLWFTJ-HNNXBMFYSA-N 0 3 356.448 -0.482 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000614067158 484450450 /nfs/dbraw/zinc/45/04/50/484450450.db2.gz OZEQDTNCNLWFTJ-OAHLLOKOSA-N 0 3 356.448 -0.482 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000614067258 484449898 /nfs/dbraw/zinc/44/98/98/484449898.db2.gz CZCHEXCPXWXKSW-HNNXBMFYSA-N 0 3 358.464 -0.206 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000614067259 484449643 /nfs/dbraw/zinc/44/96/43/484449643.db2.gz CZCHEXCPXWXKSW-OAHLLOKOSA-N 0 3 358.464 -0.206 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C1 ZINC000614068231 484450197 /nfs/dbraw/zinc/45/01/97/484450197.db2.gz XZFKCZIYKPGIBZ-INIZCTEOSA-N 0 3 372.491 -0.196 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C1 ZINC000614068232 484449492 /nfs/dbraw/zinc/44/94/92/484449492.db2.gz XZFKCZIYKPGIBZ-MRXNPFEDSA-N 0 3 372.491 -0.196 20 0 FBADHN CC(=O)N[C@@H]1CCCN(C(=O)CSc2nnnn2CCN(C)C)C1 ZINC000614068516 484450483 /nfs/dbraw/zinc/45/04/83/484450483.db2.gz KISJXDHVULABHS-GFCCVEGCSA-N 0 3 355.468 -0.546 20 0 FBADHN CC(=O)N[C@H]1CCCN(C(=O)CSc2nnnn2CCN(C)C)C1 ZINC000614068518 484450386 /nfs/dbraw/zinc/45/03/86/484450386.db2.gz KISJXDHVULABHS-LBPRGKRZSA-N 0 3 355.468 -0.546 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000614069021 484449732 /nfs/dbraw/zinc/44/97/32/484449732.db2.gz TVJCEQCVKQFHNZ-GOSISDBHSA-N 0 3 364.446 -0.371 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)COCC(=O)NCc2cccnc2)C1 ZINC000614069022 484450251 /nfs/dbraw/zinc/45/02/51/484450251.db2.gz TVJCEQCVKQFHNZ-SFHVURJKSA-N 0 3 364.446 -0.371 20 0 FBADHN C[C@@H](NC(=O)CSc1nnnn1CCN(C)C)C(=O)N1CCCCC1 ZINC000614069151 484449751 /nfs/dbraw/zinc/44/97/51/484449751.db2.gz FBSRBTAXJLTXKT-GFCCVEGCSA-N 0 3 369.495 -0.156 20 0 FBADHN C[C@H](NC(=O)CSc1nnnn1CCN(C)C)C(=O)N1CCCCC1 ZINC000614069152 484450272 /nfs/dbraw/zinc/45/02/72/484450272.db2.gz FBSRBTAXJLTXKT-LBPRGKRZSA-N 0 3 369.495 -0.156 20 0 FBADHN CN(C)CCn1nnnc1SCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000614069385 484450317 /nfs/dbraw/zinc/45/03/17/484450317.db2.gz QFXJUOPBOOBBBZ-UHFFFAOYSA-N 0 3 367.479 -0.592 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614069504 484449743 /nfs/dbraw/zinc/44/97/43/484449743.db2.gz YHXGVFQKSVIAIN-PBHICJAKSA-N 0 3 354.451 -0.971 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614069506 484449760 /nfs/dbraw/zinc/44/97/60/484449760.db2.gz YHXGVFQKSVIAIN-RHSMWYFYSA-N 0 3 354.451 -0.971 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614069507 484449776 /nfs/dbraw/zinc/44/97/76/484449776.db2.gz YHXGVFQKSVIAIN-WMLDXEAASA-N 0 3 354.451 -0.971 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614069508 484450462 /nfs/dbraw/zinc/45/04/62/484450462.db2.gz YHXGVFQKSVIAIN-YOEHRIQHSA-N 0 3 354.451 -0.971 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N1CCC[C@](O)(CN(C)C)C1)n1cccn1 ZINC000614069549 484450109 /nfs/dbraw/zinc/45/01/09/484450109.db2.gz ZAOUWIQRCAJDMJ-PBHICJAKSA-N 0 3 351.451 -0.182 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@](O)(CN(C)C)C1)n1cccn1 ZINC000614069550 484449709 /nfs/dbraw/zinc/44/97/09/484449709.db2.gz ZAOUWIQRCAJDMJ-RHSMWYFYSA-N 0 3 351.451 -0.182 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@@](O)(CN(C)C)C1)n1cccn1 ZINC000614069551 484449682 /nfs/dbraw/zinc/44/96/82/484449682.db2.gz ZAOUWIQRCAJDMJ-WMLDXEAASA-N 0 3 351.451 -0.182 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@](O)(CN(C)C)C1)n1cccn1 ZINC000614069552 484450015 /nfs/dbraw/zinc/45/00/15/484450015.db2.gz ZAOUWIQRCAJDMJ-YOEHRIQHSA-N 0 3 351.451 -0.182 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@](O)(CN(C)C)C2)C1 ZINC000614069559 484450045 /nfs/dbraw/zinc/45/00/45/484450045.db2.gz ZDAWUYRELJLNDI-GDBMZVCRSA-N 0 3 361.508 -0.037 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@](O)(CN(C)C)C2)C1 ZINC000614069560 484450092 /nfs/dbraw/zinc/45/00/92/484450092.db2.gz ZDAWUYRELJLNDI-GOEBONIOSA-N 0 3 361.508 -0.037 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@](O)(CN(C)C)C2)C1 ZINC000614069561 484449617 /nfs/dbraw/zinc/44/96/17/484449617.db2.gz ZDAWUYRELJLNDI-HOCLYGCPSA-N 0 3 361.508 -0.037 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@](O)(CN(C)C)C2)C1 ZINC000614069562 484450148 /nfs/dbraw/zinc/45/01/48/484450148.db2.gz ZDAWUYRELJLNDI-ZBFHGGJFSA-N 0 3 361.508 -0.037 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000614070272 484450527 /nfs/dbraw/zinc/45/05/27/484450527.db2.gz KALKAXUANZNRRU-INIZCTEOSA-N 0 3 352.439 -0.516 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000614070273 484450180 /nfs/dbraw/zinc/45/01/80/484450180.db2.gz KALKAXUANZNRRU-MRXNPFEDSA-N 0 3 352.439 -0.516 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000614070869 484449667 /nfs/dbraw/zinc/44/96/67/484449667.db2.gz QEALFWLPTNWTOO-INIZCTEOSA-N 0 3 352.435 -0.234 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000614070870 484451106 /nfs/dbraw/zinc/45/11/06/484451106.db2.gz QEALFWLPTNWTOO-MRXNPFEDSA-N 0 3 352.435 -0.234 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC000614071631 484447608 /nfs/dbraw/zinc/44/76/08/484447608.db2.gz RZKYYKMZKLILEJ-MAUKXSAKSA-N 0 3 367.421 -0.169 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC000614071632 484447593 /nfs/dbraw/zinc/44/75/93/484447593.db2.gz RZKYYKMZKLILEJ-YJBOKZPZSA-N 0 3 367.421 -0.169 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000614072044 484447337 /nfs/dbraw/zinc/44/73/37/484447337.db2.gz YDOGJDWNKSPKTM-INIZCTEOSA-N 0 3 361.508 -0.037 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000614072045 484447217 /nfs/dbraw/zinc/44/72/17/484447217.db2.gz YDOGJDWNKSPKTM-MRXNPFEDSA-N 0 3 361.508 -0.037 20 0 FBADHN Cc1c(C(=O)NC[C@H](O)C(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000614073096 484447560 /nfs/dbraw/zinc/44/75/60/484447560.db2.gz DZYAYNKHVJGQBX-AWEZNQCLSA-N 0 3 358.402 -0.860 20 0 FBADHN Cc1c(C(=O)NC[C@@H](O)C(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000614073097 484447433 /nfs/dbraw/zinc/44/74/33/484447433.db2.gz DZYAYNKHVJGQBX-CQSZACIVSA-N 0 3 358.402 -0.860 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC1CCN(C2CC2)CC1 ZINC000614078794 484448380 /nfs/dbraw/zinc/44/83/80/484448380.db2.gz QWVPAOCAMRCUTR-UHFFFAOYSA-N 0 3 368.459 -0.154 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000614129912 484452598 /nfs/dbraw/zinc/45/25/98/484452598.db2.gz FFGVGRXALSMDQM-KBPBESRZSA-N 0 3 374.507 -0.386 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000614129913 484452495 /nfs/dbraw/zinc/45/24/95/484452495.db2.gz FFGVGRXALSMDQM-UONOGXRCSA-N 0 3 374.507 -0.386 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000614131441 484452386 /nfs/dbraw/zinc/45/23/86/484452386.db2.gz FFGVGRXALSMDQM-KGLIPLIRSA-N 0 3 374.507 -0.386 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000614131443 484452455 /nfs/dbraw/zinc/45/24/55/484452455.db2.gz FFGVGRXALSMDQM-ZIAGYGMSSA-N 0 3 374.507 -0.386 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC12CCCN1CCC2 ZINC000614224605 484455161 /nfs/dbraw/zinc/45/51/61/484455161.db2.gz XUFXKXVICDNELZ-UHFFFAOYSA-N 0 3 354.432 -0.400 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC23CCC[NH+]2CCC3)cn1C ZINC000614228567 484455239 /nfs/dbraw/zinc/45/52/39/484455239.db2.gz SIBWFOGBFIZHBN-UHFFFAOYSA-N 0 3 355.464 -0.249 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1CC(N2CCCCC2)C1 ZINC000614280658 484456241 /nfs/dbraw/zinc/45/62/41/484456241.db2.gz DRTCASFRINQGOL-UHFFFAOYSA-N 0 3 368.459 -0.012 20 0 FBADHN COc1cnccc1N1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC000614303709 484456984 /nfs/dbraw/zinc/45/69/84/484456984.db2.gz BWCFGNFGZIEBBM-AWEZNQCLSA-N 0 3 361.402 -0.398 20 0 FBADHN COc1cnccc1N1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC000614303710 484457468 /nfs/dbraw/zinc/45/74/68/484457468.db2.gz BWCFGNFGZIEBBM-CQSZACIVSA-N 0 3 361.402 -0.398 20 0 FBADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC1 ZINC000614305459 484457452 /nfs/dbraw/zinc/45/74/52/484457452.db2.gz UEBGIHGAJSDQFX-GFCCVEGCSA-N 0 3 357.418 -0.037 20 0 FBADHN COc1cnccc1N1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC1 ZINC000614305461 484457549 /nfs/dbraw/zinc/45/75/49/484457549.db2.gz UEBGIHGAJSDQFX-LBPRGKRZSA-N 0 3 357.418 -0.037 20 0 FBADHN COc1cnccc1N1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000614305613 484457246 /nfs/dbraw/zinc/45/72/46/484457246.db2.gz WZEZKPIAWUJFKW-UHFFFAOYSA-N 0 3 357.436 -0.865 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000614306198 484457575 /nfs/dbraw/zinc/45/75/75/484457575.db2.gz ZZSAQUOSTVVMIO-UHFFFAOYSA-N 0 3 373.417 -0.069 20 0 FBADHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000614328879 484458550 /nfs/dbraw/zinc/45/85/50/484458550.db2.gz BSNDYZJIIXVSGA-GFCCVEGCSA-N 0 3 362.434 -0.624 20 0 FBADHN CC[C@H]1CN(C)CCCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000614328880 484458886 /nfs/dbraw/zinc/45/88/86/484458886.db2.gz BSNDYZJIIXVSGA-LBPRGKRZSA-N 0 3 362.434 -0.624 20 0 FBADHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000614331703 484458803 /nfs/dbraw/zinc/45/88/03/484458803.db2.gz 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/nfs/dbraw/zinc/03/21/97/485032197.db2.gz UXVJZRMXRSLKAN-HUUCEWRRSA-N 0 3 364.450 -0.110 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000615268243 485031883 /nfs/dbraw/zinc/03/18/83/485031883.db2.gz UXVJZRMXRSLKAN-LSDHHAIUSA-N 0 3 364.450 -0.110 20 0 FBADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000615269435 485033993 /nfs/dbraw/zinc/03/39/93/485033993.db2.gz LFQMJWQWWDAZOM-KBPBESRZSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000615269445 485033125 /nfs/dbraw/zinc/03/31/25/485033125.db2.gz LFQMJWQWWDAZOM-KGLIPLIRSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000615269446 485033974 /nfs/dbraw/zinc/03/39/74/485033974.db2.gz LFQMJWQWWDAZOM-UONOGXRCSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000615269447 485033262 /nfs/dbraw/zinc/03/32/62/485033262.db2.gz LFQMJWQWWDAZOM-ZIAGYGMSSA-N 0 3 354.432 -0.336 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cn1 ZINC000615269598 485033656 /nfs/dbraw/zinc/03/36/56/485033656.db2.gz MHCXYZLMKYOEEX-KBPBESRZSA-N 0 3 368.459 -0.075 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cn1 ZINC000615269600 485034386 /nfs/dbraw/zinc/03/43/86/485034386.db2.gz MHCXYZLMKYOEEX-KGLIPLIRSA-N 0 3 368.459 -0.075 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cn1 ZINC000615269604 485033486 /nfs/dbraw/zinc/03/34/86/485033486.db2.gz MHCXYZLMKYOEEX-UONOGXRCSA-N 0 3 368.459 -0.075 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cn1 ZINC000615269608 485033681 /nfs/dbraw/zinc/03/36/81/485033681.db2.gz MHCXYZLMKYOEEX-ZIAGYGMSSA-N 0 3 368.459 -0.075 20 0 FBADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000615269662 485033392 /nfs/dbraw/zinc/03/33/92/485033392.db2.gz MPLCCCOXMGYQRA-CHWSQXEVSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000615269663 485033771 /nfs/dbraw/zinc/03/37/71/485033771.db2.gz MPLCCCOXMGYQRA-OLZOCXBDSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000615269664 485032917 /nfs/dbraw/zinc/03/29/17/485032917.db2.gz MPLCCCOXMGYQRA-QWHCGFSZSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000615269665 485033838 /nfs/dbraw/zinc/03/38/38/485033838.db2.gz MPLCCCOXMGYQRA-STQMWFEESA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000615271047 485033035 /nfs/dbraw/zinc/03/30/35/485033035.db2.gz UDZNAIXIWXVSNU-CHWSQXEVSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000615271048 485033086 /nfs/dbraw/zinc/03/30/86/485033086.db2.gz UDZNAIXIWXVSNU-OLZOCXBDSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000615271049 485034330 /nfs/dbraw/zinc/03/43/30/485034330.db2.gz UDZNAIXIWXVSNU-QWHCGFSZSA-N 0 3 354.432 -0.336 20 0 FBADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000615271050 485033751 /nfs/dbraw/zinc/03/37/51/485033751.db2.gz UDZNAIXIWXVSNU-STQMWFEESA-N 0 3 354.432 -0.336 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC1=O ZINC000615272626 485035754 /nfs/dbraw/zinc/03/57/54/485035754.db2.gz AJMHVCLFBGRAMA-INIZCTEOSA-N 0 3 351.495 -0.898 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC1=O ZINC000615272627 485035397 /nfs/dbraw/zinc/03/53/97/485035397.db2.gz AJMHVCLFBGRAMA-MRXNPFEDSA-N 0 3 351.495 -0.898 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC000615274058 485033597 /nfs/dbraw/zinc/03/35/97/485033597.db2.gz LARTYWZJVJGSFP-INIZCTEOSA-N 0 3 372.535 -0.246 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC000615274059 485034280 /nfs/dbraw/zinc/03/42/80/485034280.db2.gz LARTYWZJVJGSFP-MRXNPFEDSA-N 0 3 372.535 -0.246 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC000615274164 485034076 /nfs/dbraw/zinc/03/40/76/485034076.db2.gz IBPVDMIDDIDIHB-CABCVRRESA-N 0 3 368.459 -0.319 20 0 FBADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC000615274165 485034117 /nfs/dbraw/zinc/03/41/17/485034117.db2.gz IBPVDMIDDIDIHB-GJZGRUSLSA-N 0 3 368.459 -0.319 20 0 FBADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC000615274166 485034056 /nfs/dbraw/zinc/03/40/56/485034056.db2.gz IBPVDMIDDIDIHB-HUUCEWRRSA-N 0 3 368.459 -0.319 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC000615274167 485034262 /nfs/dbraw/zinc/03/42/62/485034262.db2.gz IBPVDMIDDIDIHB-LSDHHAIUSA-N 0 3 368.459 -0.319 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N1CC(CN2CCN(C)CC2)C1)n1cccn1 ZINC000615275359 485040683 /nfs/dbraw/zinc/04/06/83/485040683.db2.gz ZREVMCZALGKTMK-HNNXBMFYSA-N 0 3 362.478 -0.392 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N1CC(CN2CCN(C)CC2)C1)n1cccn1 ZINC000615275372 485040374 /nfs/dbraw/zinc/04/03/74/485040374.db2.gz ZREVMCZALGKTMK-OAHLLOKOSA-N 0 3 362.478 -0.392 20 0 FBADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615279666 485041199 /nfs/dbraw/zinc/04/11/99/485041199.db2.gz TWWHOIFBSJSVBP-MRXNPFEDSA-N 0 3 372.535 -0.201 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cn1C ZINC000615306269 485085301 /nfs/dbraw/zinc/08/53/01/485085301.db2.gz AXJFKLGPGRDARY-AAEUAGOBSA-N 0 3 357.480 -0.052 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cn1C ZINC000615306273 485085003 /nfs/dbraw/zinc/08/50/03/485085003.db2.gz AXJFKLGPGRDARY-DGCLKSJQSA-N 0 3 357.480 -0.052 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cn1C ZINC000615306275 485084993 /nfs/dbraw/zinc/08/49/93/485084993.db2.gz AXJFKLGPGRDARY-WCQYABFASA-N 0 3 357.480 -0.052 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cn1C ZINC000615306276 485085195 /nfs/dbraw/zinc/08/51/95/485085195.db2.gz AXJFKLGPGRDARY-YPMHNXCESA-N 0 3 357.480 -0.052 20 0 FBADHN C[C@H]1[C@H](N(C)C)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000615311899 485091873 /nfs/dbraw/zinc/09/18/73/485091873.db2.gz COWPQGQUEFWODS-GXFFZTMASA-N 0 3 354.432 -0.177 20 0 FBADHN C[C@@H]1[C@@H](N(C)C)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000615311900 485091522 /nfs/dbraw/zinc/09/15/22/485091522.db2.gz COWPQGQUEFWODS-MFKMUULPSA-N 0 3 354.432 -0.177 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)[C@H]2C1 ZINC000615347641 485186618 /nfs/dbraw/zinc/18/66/18/485186618.db2.gz JFWVKCAVMYWXID-HZSPNIEDSA-N 0 3 360.480 -0.777 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)[C@H]2C1 ZINC000615347642 485186064 /nfs/dbraw/zinc/18/60/64/485186064.db2.gz JFWVKCAVMYWXID-MELADBBJSA-N 0 3 360.480 -0.777 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)CC3(n4cnnn4)CCOCC3)[C@H]2C1 ZINC000615348770 485190574 /nfs/dbraw/zinc/19/05/74/485190574.db2.gz VIKKRGCITPKRFP-LSDHHAIUSA-N 0 3 364.450 -0.110 20 0 FBADHN CCN1CC[C@H]2OCCN(C(=O)C3(n4cnnn4)CCOCC3)[C@H]2C1 ZINC000615350287 485193584 /nfs/dbraw/zinc/19/35/84/485193584.db2.gz UVCVPRXVIHSZQO-UONOGXRCSA-N 0 3 350.423 -0.500 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000615355100 485198300 /nfs/dbraw/zinc/19/83/00/485198300.db2.gz CTMCFKIWGFZRRY-INIZCTEOSA-N 0 3 368.459 -0.201 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000615355103 485198879 /nfs/dbraw/zinc/19/88/79/485198879.db2.gz CTMCFKIWGFZRRY-MRXNPFEDSA-N 0 3 368.459 -0.201 20 0 FBADHN CN(C)CCn1nccc1NC(=O)CNS(=O)(=O)c1cccnc1 ZINC000615377133 485286243 /nfs/dbraw/zinc/28/62/43/485286243.db2.gz MXVRKSYVSZXTCI-UHFFFAOYSA-N 0 3 352.420 -0.243 20 0 FBADHN CN(C)CCn1nccc1NC(=O)CNS(=O)(=O)c1ccccc1N ZINC000615378047 485290917 /nfs/dbraw/zinc/29/09/17/485290917.db2.gz WAKZZCNUZCKIEN-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN Cc1c(C(=O)N2CC(O)(CO)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000615428499 484340855 /nfs/dbraw/zinc/34/08/55/484340855.db2.gz QUIVOWZEVRBZJF-UHFFFAOYSA-N 0 3 357.414 -0.257 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@@H]1CCCN1CCCO ZINC000615479660 484373712 /nfs/dbraw/zinc/37/37/12/484373712.db2.gz HMWWZWHXJOGFRK-AWEZNQCLSA-N 0 3 352.439 -0.468 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@H]1CCCN1CCCO ZINC000615479663 484373686 /nfs/dbraw/zinc/37/36/86/484373686.db2.gz HMWWZWHXJOGFRK-CQSZACIVSA-N 0 3 352.439 -0.468 20 0 FBADHN COCCCn1nc(C(=O)NC[C@@H]2CCCN2CCCO)ccc1=O ZINC000615480806 484373621 /nfs/dbraw/zinc/37/36/21/484373621.db2.gz SGVWUOYUVHTNHH-AWEZNQCLSA-N 0 3 352.435 -0.144 20 0 FBADHN COCCCn1nc(C(=O)NC[C@H]2CCCN2CCCO)ccc1=O ZINC000615480807 484373925 /nfs/dbraw/zinc/37/39/25/484373925.db2.gz SGVWUOYUVHTNHH-CQSZACIVSA-N 0 3 352.435 -0.144 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@H]1CCCN1CCCO ZINC000615480976 484373017 /nfs/dbraw/zinc/37/30/17/484373017.db2.gz WEYYDLKLPQJACX-CYBMUJFWSA-N 0 3 370.475 -0.490 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@@H]1CCCN1CCCO ZINC000615480977 484373940 /nfs/dbraw/zinc/37/39/40/484373940.db2.gz WEYYDLKLPQJACX-ZDUSSCGKSA-N 0 3 370.475 -0.490 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](N3CCOCC3)C2)CC1=O ZINC000615547490 484376082 /nfs/dbraw/zinc/37/60/82/484376082.db2.gz LMJDSBOPZJSPCQ-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCOCC3)C2)CC1=O ZINC000615547491 484376189 /nfs/dbraw/zinc/37/61/89/484376189.db2.gz LMJDSBOPZJSPCQ-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCOCC3)C2)CC1=O ZINC000615547492 484376535 /nfs/dbraw/zinc/37/65/35/484376535.db2.gz LMJDSBOPZJSPCQ-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCOCC3)C2)CC1=O ZINC000615547493 484376598 /nfs/dbraw/zinc/37/65/98/484376598.db2.gz LMJDSBOPZJSPCQ-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN3CC[C@H]2C3)cc1 ZINC000615559547 484378375 /nfs/dbraw/zinc/37/83/75/484378375.db2.gz JYAOVPGLXZWBOP-AWEZNQCLSA-N 0 3 366.443 -0.160 20 0 FBADHN Cn1c2ccc(NC(=O)CCC(=O)N3CCN4CC[C@H]3C4)nc2n(C)c1=O ZINC000615568054 484482474 /nfs/dbraw/zinc/48/24/74/484482474.db2.gz HNVQFZILRABAPD-LBPRGKRZSA-N 0 3 372.429 -0.093 20 0 FBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN2CC[C@H]1C2 ZINC000615568779 837165145 /nfs/dbraw/zinc/16/51/45/837165145.db2.gz HJXLFIUGLZQMCN-LRDDRELGSA-N 0 3 350.419 -0.482 20 0 FBADHN CN1CC[C@]2(C1)CCCN(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C2 ZINC000615600214 484379110 /nfs/dbraw/zinc/37/91/10/484379110.db2.gz ANHLNBWFKMUZKM-INIZCTEOSA-N 0 3 368.459 -0.201 20 0 FBADHN CN1CC[C@@]2(C1)CCCN(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C2 ZINC000615600218 484380212 /nfs/dbraw/zinc/38/02/12/484380212.db2.gz ANHLNBWFKMUZKM-MRXNPFEDSA-N 0 3 368.459 -0.201 20 0 FBADHN CN1CC[C@]2(C1)CCCN(C(=O)c1nc(N)nc(N3CCOCC3)n1)C2 ZINC000615600302 484520170 /nfs/dbraw/zinc/52/01/70/484520170.db2.gz BYTSYRLJPCSSFY-KRWDZBQOSA-N 0 3 361.450 -0.152 20 0 FBADHN CN1CC[C@@]2(C1)CCCN(C(=O)c1nc(N)nc(N3CCOCC3)n1)C2 ZINC000615600303 484520404 /nfs/dbraw/zinc/52/04/04/484520404.db2.gz BYTSYRLJPCSSFY-QGZVFWFLSA-N 0 3 361.450 -0.152 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000615610979 484379766 /nfs/dbraw/zinc/37/97/66/484379766.db2.gz FNKJZECLKGBPMG-HNNXBMFYSA-N 0 3 355.464 -0.357 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000615610979 484379756 /nfs/dbraw/zinc/37/97/56/484379756.db2.gz FNKJZECLKGBPMG-HNNXBMFYSA-N 0 3 355.464 -0.357 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000615610980 484379963 /nfs/dbraw/zinc/37/99/63/484379963.db2.gz FNKJZECLKGBPMG-OAHLLOKOSA-N 0 3 355.464 -0.357 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000615610980 484379957 /nfs/dbraw/zinc/37/99/57/484379957.db2.gz FNKJZECLKGBPMG-OAHLLOKOSA-N 0 3 355.464 -0.357 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cn1C ZINC000615617727 484379205 /nfs/dbraw/zinc/37/92/05/484379205.db2.gz BZRXWYPFPWMDGZ-INIZCTEOSA-N 0 3 369.491 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cn1C ZINC000615617727 484379199 /nfs/dbraw/zinc/37/91/99/484379199.db2.gz BZRXWYPFPWMDGZ-INIZCTEOSA-N 0 3 369.491 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cn1C ZINC000615617732 484379602 /nfs/dbraw/zinc/37/96/02/484379602.db2.gz BZRXWYPFPWMDGZ-MRXNPFEDSA-N 0 3 369.491 -0.049 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cn1C ZINC000615617732 484379594 /nfs/dbraw/zinc/37/95/94/484379594.db2.gz BZRXWYPFPWMDGZ-MRXNPFEDSA-N 0 3 369.491 -0.049 20 0 FBADHN COCCCn1nc(C(=O)NC[C@@H]2CCCCN2CCO)ccc1=O ZINC000615656388 484386831 /nfs/dbraw/zinc/38/68/31/484386831.db2.gz FJOKMILFQYZMOI-AWEZNQCLSA-N 0 3 352.435 -0.144 20 0 FBADHN COCCCn1nc(C(=O)NC[C@H]2CCCCN2CCO)ccc1=O ZINC000615656389 484387136 /nfs/dbraw/zinc/38/71/36/484387136.db2.gz FJOKMILFQYZMOI-CQSZACIVSA-N 0 3 352.435 -0.144 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000615656406 484386333 /nfs/dbraw/zinc/38/63/33/484386333.db2.gz FWAIWVBEEHJJTN-CYBMUJFWSA-N 0 3 370.475 -0.490 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000615656407 484387046 /nfs/dbraw/zinc/38/70/46/484387046.db2.gz FWAIWVBEEHJJTN-ZDUSSCGKSA-N 0 3 370.475 -0.490 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@@H]1CCCCN1CCO ZINC000615657620 484386430 /nfs/dbraw/zinc/38/64/30/484386430.db2.gz VSXXREUDNWQJPE-AWEZNQCLSA-N 0 3 352.439 -0.468 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@H]1CCCCN1CCO ZINC000615657622 484387537 /nfs/dbraw/zinc/38/75/37/484387537.db2.gz VSXXREUDNWQJPE-CQSZACIVSA-N 0 3 352.439 -0.468 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@H]1CCCCN1CCO ZINC000615657942 484386303 /nfs/dbraw/zinc/38/63/03/484386303.db2.gz ZQKZIBFSZRSXQB-CYBMUJFWSA-N 0 3 370.475 -0.490 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@@H]1CCCCN1CCO ZINC000615657943 484386591 /nfs/dbraw/zinc/38/65/91/484386591.db2.gz ZQKZIBFSZRSXQB-ZDUSSCGKSA-N 0 3 370.475 -0.490 20 0 FBADHN O=C(CNS(=O)(=O)c1cccnc1)N[C@@H]1CCCN(CCCO)C1 ZINC000615658267 484387399 /nfs/dbraw/zinc/38/73/99/484387399.db2.gz DKNBSPZMKHWHLI-CYBMUJFWSA-N 0 3 356.448 -0.677 20 0 FBADHN O=C(CNS(=O)(=O)c1cccnc1)N[C@H]1CCCN(CCCO)C1 ZINC000615658269 484386541 /nfs/dbraw/zinc/38/65/41/484386541.db2.gz DKNBSPZMKHWHLI-ZDUSSCGKSA-N 0 3 356.448 -0.677 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)N[C@H]1CCCN(CCCO)C1 ZINC000615659975 484386569 /nfs/dbraw/zinc/38/65/69/484386569.db2.gz QMSNDGWKTLBBBK-AWEZNQCLSA-N 0 3 352.439 -0.468 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000615659976 484386802 /nfs/dbraw/zinc/38/68/02/484386802.db2.gz QMSNDGWKTLBBBK-CQSZACIVSA-N 0 3 352.439 -0.468 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)CC1=O ZINC000615777226 484404596 /nfs/dbraw/zinc/40/45/96/484404596.db2.gz SCYJQEOYLDYGON-KBPBESRZSA-N 0 3 357.476 -0.568 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)CC1=O ZINC000615777227 484404583 /nfs/dbraw/zinc/40/45/83/484404583.db2.gz SCYJQEOYLDYGON-KGLIPLIRSA-N 0 3 357.476 -0.568 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)CC1=O ZINC000615777228 484404616 /nfs/dbraw/zinc/40/46/16/484404616.db2.gz SCYJQEOYLDYGON-UONOGXRCSA-N 0 3 357.476 -0.568 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)CC1=O ZINC000615777229 484404287 /nfs/dbraw/zinc/40/42/87/484404287.db2.gz SCYJQEOYLDYGON-ZIAGYGMSSA-N 0 3 357.476 -0.568 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3ncns3)CC2)CC1=O ZINC000615802162 484407147 /nfs/dbraw/zinc/40/71/47/484407147.db2.gz MGGSEMARRFHZJY-GFCCVEGCSA-N 0 3 352.464 -0.403 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3ncns3)CC2)CC1=O ZINC000615802163 484407202 /nfs/dbraw/zinc/40/72/02/484407202.db2.gz MGGSEMARRFHZJY-LBPRGKRZSA-N 0 3 352.464 -0.403 20 0 FBADHN CCN1CCN(CCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)CC1 ZINC000615944512 484464079 /nfs/dbraw/zinc/46/40/79/484464079.db2.gz FFUOYRIAQHOUGR-AWEZNQCLSA-N 0 3 361.512 -0.812 20 0 FBADHN CCN1CCN(CCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)CC1 ZINC000615944517 484463444 /nfs/dbraw/zinc/46/34/44/484463444.db2.gz FFUOYRIAQHOUGR-CQSZACIVSA-N 0 3 361.512 -0.812 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)n1 ZINC000615953488 484469935 /nfs/dbraw/zinc/46/99/35/484469935.db2.gz LHHDHWJGPOFSPQ-GFCCVEGCSA-N 0 3 358.468 -0.768 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)n1 ZINC000615953491 484469302 /nfs/dbraw/zinc/46/93/02/484469302.db2.gz LHHDHWJGPOFSPQ-LBPRGKRZSA-N 0 3 358.468 -0.768 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1CCN(C2CCC2)CC1 ZINC000616004554 484473985 /nfs/dbraw/zinc/47/39/85/484473985.db2.gz YANSCTVHMXJRIT-UHFFFAOYSA-N 0 3 368.459 -0.012 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000616098005 484484382 /nfs/dbraw/zinc/48/43/82/484484382.db2.gz ASEJXCIZTBAHED-AWEZNQCLSA-N 0 3 364.512 -0.075 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000616098019 484484574 /nfs/dbraw/zinc/48/45/74/484484574.db2.gz ASEJXCIZTBAHED-CQSZACIVSA-N 0 3 364.512 -0.075 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC(C)(C)CN1CCCC1 ZINC000616153581 484488434 /nfs/dbraw/zinc/48/84/34/484488434.db2.gz KFLMUYCQGAOFNA-UHFFFAOYSA-N 0 3 356.448 -0.154 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCN1CCCC1(C)C ZINC000616155319 484488065 /nfs/dbraw/zinc/48/80/65/484488065.db2.gz RKIGSWFBMYIQAB-UHFFFAOYSA-N 0 3 356.448 -0.154 20 0 FBADHN CN(CCCCNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C1CC1 ZINC000616185261 484491022 /nfs/dbraw/zinc/49/10/22/484491022.db2.gz XQKCLRUMCBSETF-UHFFFAOYSA-N 0 3 356.448 -0.154 20 0 FBADHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616212284 483718940 /nfs/dbraw/zinc/71/89/40/483718940.db2.gz HCEVZLGYKXYIRK-UHFFFAOYSA-N 0 3 362.434 -0.587 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC[C@H]1CCCN(C)C1 ZINC000616235246 483565666 /nfs/dbraw/zinc/56/56/66/483565666.db2.gz KJANVVIGSXUBFG-LLVKDONJSA-N 0 3 356.448 -0.297 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC[C@@H]1CCCN(C)C1 ZINC000616235247 483565905 /nfs/dbraw/zinc/56/59/05/483565905.db2.gz KJANVVIGSXUBFG-NSHDSACASA-N 0 3 356.448 -0.297 20 0 FBADHN CN1CCC(CNC(=O)c2cnc3n2CCOC3)(N2CCOCC2)CC1 ZINC000616256904 483583232 /nfs/dbraw/zinc/58/32/32/483583232.db2.gz COQCKTVOLZQHHC-UHFFFAOYSA-N 0 3 363.462 -0.060 20 0 FBADHN CN1C(=O)CC[C@H]1CC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000616257187 483583024 /nfs/dbraw/zinc/58/30/24/483583024.db2.gz IQGQFJJXLSWMRP-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1C(=O)CC[C@@H]1CC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000616257188 483582766 /nfs/dbraw/zinc/58/27/66/483582766.db2.gz IQGQFJJXLSWMRP-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN CO[C@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCOC1 ZINC000616257263 483582753 /nfs/dbraw/zinc/58/27/53/483582753.db2.gz KCLKCDJWBLUPIZ-CVEARBPZSA-N 0 3 355.479 -0.049 20 0 FBADHN CO[C@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCOC1 ZINC000616257264 483583004 /nfs/dbraw/zinc/58/30/04/483583004.db2.gz KCLKCDJWBLUPIZ-HOTGVXAUSA-N 0 3 355.479 -0.049 20 0 FBADHN CO[C@@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCOC1 ZINC000616257265 483582744 /nfs/dbraw/zinc/58/27/44/483582744.db2.gz KCLKCDJWBLUPIZ-HZPDHXFCSA-N 0 3 355.479 -0.049 20 0 FBADHN CO[C@@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCOC1 ZINC000616257266 483583444 /nfs/dbraw/zinc/58/34/44/483583444.db2.gz KCLKCDJWBLUPIZ-JKSUJKDBSA-N 0 3 355.479 -0.049 20 0 FBADHN CN1CCC(CNC(=O)c2nnn(C(C)(C)C)n2)(N2CCOCC2)CC1 ZINC000616257395 483582931 /nfs/dbraw/zinc/58/29/31/483582931.db2.gz NCJWWUVXUHZRTM-UHFFFAOYSA-N 0 3 365.482 -0.046 20 0 FBADHN Cn1ccnc1COCC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000616257617 483582908 /nfs/dbraw/zinc/58/29/08/483582908.db2.gz RSPCXULIOQMOBK-UHFFFAOYSA-N 0 3 365.478 -0.151 20 0 FBADHN CN1CCC(CNC(=O)c2nc3ncccn3n2)(N2CCOCC2)CC1 ZINC000616257739 483583054 /nfs/dbraw/zinc/58/30/54/483583054.db2.gz VAKVOTCUPDXVJF-UHFFFAOYSA-N 0 3 359.434 -0.349 20 0 FBADHN Cc1cnc2nc(C(=O)NCC3(N4CCOCC4)CCN(C)CC3)nn2c1 ZINC000616257807 483583363 /nfs/dbraw/zinc/58/33/63/483583363.db2.gz WTPQZUGSCYQVTD-UHFFFAOYSA-N 0 3 373.461 -0.041 20 0 FBADHN CN1CCC(CNC(=O)c2ccn3nnnc3c2)(N2CCOCC2)CC1 ZINC000616257970 483583283 /nfs/dbraw/zinc/58/32/83/483583283.db2.gz ZWBDMGJSXLDMAX-UHFFFAOYSA-N 0 3 359.434 -0.349 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000616265558 483584660 /nfs/dbraw/zinc/58/46/60/483584660.db2.gz LLJOOZNUEWMXHN-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN COc1cc(OCCN(C)C)ccc1NC(=O)CNS(=O)(=O)N(C)C ZINC000616268509 483586787 /nfs/dbraw/zinc/58/67/87/483586787.db2.gz DIQVYBIKQOSWGV-UHFFFAOYSA-N 0 3 374.463 -0.030 20 0 FBADHN COc1cc(OCCN(C)C)ccc1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616268623 483587024 /nfs/dbraw/zinc/58/70/24/483587024.db2.gz GDHPYDKETBVZKK-BFYDXBDKSA-N 0 3 366.414 -0.013 20 0 FBADHN CCCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 ZINC000616327357 483395328 /nfs/dbraw/zinc/39/53/28/483395328.db2.gz FQPISFZWORDNIT-AWEZNQCLSA-N 0 3 350.419 -0.196 20 0 FBADHN CCCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1 ZINC000616327358 483395291 /nfs/dbraw/zinc/39/52/91/483395291.db2.gz FQPISFZWORDNIT-CQSZACIVSA-N 0 3 350.419 -0.196 20 0 FBADHN COCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c(C)c1 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FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000616996212 483595240 /nfs/dbraw/zinc/59/52/40/483595240.db2.gz DKGQGLPWSHIHKS-LBPRGKRZSA-N 0 3 357.480 -0.065 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616996212 483595236 /nfs/dbraw/zinc/59/52/36/483595236.db2.gz DKGQGLPWSHIHKS-LBPRGKRZSA-N 0 3 357.480 -0.065 20 0 FBADHN CC(C)(C)N1CC[C@H]1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000617012904 483596104 /nfs/dbraw/zinc/59/61/04/483596104.db2.gz JRTLCHQSLISYQF-JTQLQIEISA-N 0 3 371.463 -0.619 20 0 FBADHN CC(C)(C)N1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000617012905 483596417 /nfs/dbraw/zinc/59/64/17/483596417.db2.gz JRTLCHQSLISYQF-SNVBAGLBSA-N 0 3 371.463 -0.619 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CCN2C(C)(C)C)cn1C ZINC000617014672 483596071 /nfs/dbraw/zinc/59/60/71/483596071.db2.gz OAQDVLVZAYZQFA-GFCCVEGCSA-N 0 3 357.480 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CCN2C(C)(C)C)cn1C ZINC000617014673 483596859 /nfs/dbraw/zinc/59/68/59/483596859.db2.gz OAQDVLVZAYZQFA-LBPRGKRZSA-N 0 3 357.480 -0.004 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CCN1C(C)(C)C)c(=O)n2C ZINC000617020667 483596205 /nfs/dbraw/zinc/59/62/05/483596205.db2.gz GYTHUWKGQYTHOS-LLVKDONJSA-N 0 3 362.434 -0.577 20 0 FBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1CCN1C(C)(C)C)c(=O)n2C ZINC000617020668 483596193 /nfs/dbraw/zinc/59/61/93/483596193.db2.gz GYTHUWKGQYTHOS-NSHDSACASA-N 0 3 362.434 -0.577 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@H]3CCN3C(C)(C)C)c2c(=O)n(C)c1=O ZINC000617022340 483597427 /nfs/dbraw/zinc/59/74/27/483597427.db2.gz VJPIMODIQZZBNN-LLVKDONJSA-N 0 3 362.434 -0.577 20 0 FBADHN Cn1c2ncn(CC(=O)NC[C@@H]3CCN3C(C)(C)C)c2c(=O)n(C)c1=O ZINC000617022341 483598093 /nfs/dbraw/zinc/59/80/93/483598093.db2.gz VJPIMODIQZZBNN-NSHDSACASA-N 0 3 362.434 -0.577 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCC2(CS(C)(=O)=O)CC2)CC1=O ZINC000617183299 483889358 /nfs/dbraw/zinc/88/93/58/483889358.db2.gz QCVHUODEUJVCEJ-CYBMUJFWSA-N 0 3 359.492 -0.272 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCC2(CS(C)(=O)=O)CC2)CC1=O ZINC000617183301 483889094 /nfs/dbraw/zinc/88/90/94/483889094.db2.gz QCVHUODEUJVCEJ-ZDUSSCGKSA-N 0 3 359.492 -0.272 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617342355 483993810 /nfs/dbraw/zinc/99/38/10/483993810.db2.gz BGTPMHJJMKSHLN-JTQLQIEISA-N 0 3 356.448 -0.156 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617342356 483992451 /nfs/dbraw/zinc/99/24/51/483992451.db2.gz BGTPMHJJMKSHLN-SNVBAGLBSA-N 0 3 356.448 -0.156 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1C ZINC000617351871 484143739 /nfs/dbraw/zinc/14/37/39/484143739.db2.gz RCEQCEMMKARDJK-GFCCVEGCSA-N 0 3 357.480 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1C ZINC000617351871 484143736 /nfs/dbraw/zinc/14/37/36/484143736.db2.gz RCEQCEMMKARDJK-GFCCVEGCSA-N 0 3 357.480 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cn1C ZINC000617351872 484143553 /nfs/dbraw/zinc/14/35/53/484143553.db2.gz RCEQCEMMKARDJK-LBPRGKRZSA-N 0 3 357.480 -0.004 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1C ZINC000617351872 484143546 /nfs/dbraw/zinc/14/35/46/484143546.db2.gz RCEQCEMMKARDJK-LBPRGKRZSA-N 0 3 357.480 -0.004 20 0 FBADHN Cn1c2ncn(CC(=O)N[C@@H]3CCN(C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000617358085 484197429 /nfs/dbraw/zinc/19/74/29/484197429.db2.gz RWRGQHQYYGEECW-LLVKDONJSA-N 0 3 362.434 -0.577 20 0 FBADHN Cn1c2ncn(CC(=O)N[C@H]3CCN(C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000617358086 484198393 /nfs/dbraw/zinc/19/83/93/484198393.db2.gz RWRGQHQYYGEECW-NSHDSACASA-N 0 3 362.434 -0.577 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc(C(N)=O)co2)CC1=O ZINC000617488860 484046262 /nfs/dbraw/zinc/04/62/62/484046262.db2.gz IRIYQIJTWKJOEK-NEPJUHHUSA-N 0 3 363.418 -0.278 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc(C(N)=O)co2)CC1=O ZINC000617488861 484046669 /nfs/dbraw/zinc/04/66/69/484046669.db2.gz IRIYQIJTWKJOEK-NWDGAFQWSA-N 0 3 363.418 -0.278 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCc2nc(C(N)=O)co2)CC1=O ZINC000617488862 484046787 /nfs/dbraw/zinc/04/67/87/484046787.db2.gz IRIYQIJTWKJOEK-RYUDHWBXSA-N 0 3 363.418 -0.278 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc(C(N)=O)co2)CC1=O ZINC000617488863 484045873 /nfs/dbraw/zinc/04/58/73/484045873.db2.gz IRIYQIJTWKJOEK-VXGBXAGGSA-N 0 3 363.418 -0.278 20 0 FBADHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000617506467 484097415 /nfs/dbraw/zinc/09/74/15/484097415.db2.gz OLCKVHMLPNOOSY-ZDUSSCGKSA-N 0 3 374.511 -0.913 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000617506937 484097323 /nfs/dbraw/zinc/09/73/23/484097323.db2.gz CTIMWVZSZCTZNZ-ZDUSSCGKSA-N 0 3 371.507 -0.009 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCN(C)C1 ZINC000617555797 484286605 /nfs/dbraw/zinc/28/66/05/484286605.db2.gz CBPVYBPPCYLBBV-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCN(C)C1 ZINC000617555798 484286153 /nfs/dbraw/zinc/28/61/53/484286153.db2.gz CBPVYBPPCYLBBV-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCN(C)C1 ZINC000617555799 484286741 /nfs/dbraw/zinc/28/67/41/484286741.db2.gz CBPVYBPPCYLBBV-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCN(C)C1 ZINC000617555800 484285648 /nfs/dbraw/zinc/28/56/48/484285648.db2.gz CBPVYBPPCYLBBV-JKSUJKDBSA-N 0 3 352.479 -0.280 20 0 FBADHN CCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCN(C)C1 ZINC000617556158 484285725 /nfs/dbraw/zinc/28/57/25/484285725.db2.gz KPCUEBJSGLMWRH-CYBMUJFWSA-N 0 3 357.480 -0.050 20 0 FBADHN CCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCN(C)C1 ZINC000617556159 484286657 /nfs/dbraw/zinc/28/66/57/484286657.db2.gz KPCUEBJSGLMWRH-ZDUSSCGKSA-N 0 3 357.480 -0.050 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CCN(C)C1 ZINC000617557418 484287146 /nfs/dbraw/zinc/28/71/46/484287146.db2.gz KWRJQLNWEBBISC-HZSPNIEDSA-N 0 3 357.476 -0.425 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCN(C)C1 ZINC000617557419 484287531 /nfs/dbraw/zinc/28/75/31/484287531.db2.gz KWRJQLNWEBBISC-MCIONIFRSA-N 0 3 357.476 -0.425 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCN(C)C1 ZINC000617557420 484287398 /nfs/dbraw/zinc/28/73/98/484287398.db2.gz KWRJQLNWEBBISC-MGPQQGTHSA-N 0 3 357.476 -0.425 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CCN(C)C1 ZINC000617557421 484288159 /nfs/dbraw/zinc/28/81/59/484288159.db2.gz KWRJQLNWEBBISC-RDBSUJKOSA-N 0 3 357.476 -0.425 20 0 FBADHN CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCN(C)C1 ZINC000617558740 484287891 /nfs/dbraw/zinc/28/78/91/484287891.db2.gz JLMFKDSYSHSLGD-GFCCVEGCSA-N 0 3 362.434 -0.624 20 0 FBADHN CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCN(C)C1 ZINC000617558741 484287594 /nfs/dbraw/zinc/28/75/94/484287594.db2.gz JLMFKDSYSHSLGD-LBPRGKRZSA-N 0 3 362.434 -0.624 20 0 FBADHN Cc1nn(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c(=O)n1C ZINC000617695213 484460044 /nfs/dbraw/zinc/46/00/44/484460044.db2.gz NJZHMTGYOGFASF-INIZCTEOSA-N 0 3 359.430 -0.227 20 0 FBADHN Cc1nn(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(=O)n1C ZINC000617695214 484459604 /nfs/dbraw/zinc/45/96/04/484459604.db2.gz NJZHMTGYOGFASF-MRXNPFEDSA-N 0 3 359.430 -0.227 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1CCS(=O)(=O)N1 ZINC000617696506 484459946 /nfs/dbraw/zinc/45/99/46/484459946.db2.gz KQTLULRRHWXUEQ-CABCVRRESA-N 0 3 353.444 -0.439 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CCS(=O)(=O)N1 ZINC000617696507 484459323 /nfs/dbraw/zinc/45/93/23/484459323.db2.gz KQTLULRRHWXUEQ-GJZGRUSLSA-N 0 3 353.444 -0.439 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CCS(=O)(=O)N1 ZINC000617696508 484459621 /nfs/dbraw/zinc/45/96/21/484459621.db2.gz KQTLULRRHWXUEQ-HUUCEWRRSA-N 0 3 353.444 -0.439 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CCS(=O)(=O)N1 ZINC000617696509 484459670 /nfs/dbraw/zinc/45/96/70/484459670.db2.gz KQTLULRRHWXUEQ-LSDHHAIUSA-N 0 3 353.444 -0.439 20 0 FBADHN CN1CC[C@@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)S1(=O)=O ZINC000617696976 484459393 /nfs/dbraw/zinc/45/93/93/484459393.db2.gz SVCQCSBTTJNTMG-CVEARBPZSA-N 0 3 367.471 -0.097 20 0 FBADHN CN1CC[C@@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)S1(=O)=O ZINC000617696977 484459460 /nfs/dbraw/zinc/45/94/60/484459460.db2.gz SVCQCSBTTJNTMG-HOTGVXAUSA-N 0 3 367.471 -0.097 20 0 FBADHN CN1CC[C@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)S1(=O)=O ZINC000617696978 484459475 /nfs/dbraw/zinc/45/94/75/484459475.db2.gz SVCQCSBTTJNTMG-HZPDHXFCSA-N 0 3 367.471 -0.097 20 0 FBADHN CN1CC[C@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)S1(=O)=O ZINC000617696979 484458831 /nfs/dbraw/zinc/45/88/31/484458831.db2.gz SVCQCSBTTJNTMG-JKSUJKDBSA-N 0 3 367.471 -0.097 20 0 FBADHN CS(=O)(=O)NCCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617698091 484459435 /nfs/dbraw/zinc/45/94/35/484459435.db2.gz NSGHNZGQCMMARL-HNNXBMFYSA-N 0 3 355.460 -0.191 20 0 FBADHN CS(=O)(=O)NCCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617698092 484459758 /nfs/dbraw/zinc/45/97/58/484459758.db2.gz NSGHNZGQCMMARL-OAHLLOKOSA-N 0 3 355.460 -0.191 20 0 FBADHN CN1CC(=O)N(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1=O ZINC000617698253 484460009 /nfs/dbraw/zinc/46/00/09/484460009.db2.gz RFHCITGXEUFUKJ-HNNXBMFYSA-N 0 3 360.414 -0.237 20 0 FBADHN CN1CC(=O)N(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1=O ZINC000617698254 484459202 /nfs/dbraw/zinc/45/92/02/484459202.db2.gz RFHCITGXEUFUKJ-OAHLLOKOSA-N 0 3 360.414 -0.237 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617698637 484458791 /nfs/dbraw/zinc/45/87/91/484458791.db2.gz YTCALQZZTWMCKI-HNNXBMFYSA-N 0 3 358.398 -0.168 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617698638 484459784 /nfs/dbraw/zinc/45/97/84/484459784.db2.gz YTCALQZZTWMCKI-OAHLLOKOSA-N 0 3 358.398 -0.168 20 0 FBADHN Cn1cc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c(=O)[nH]c1=O ZINC000617698917 484459744 /nfs/dbraw/zinc/45/97/44/484459744.db2.gz AVEDNZKLHGHLND-AWEZNQCLSA-N 0 3 358.398 -0.018 20 0 FBADHN Cn1cc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(=O)[nH]c1=O ZINC000617698918 484459489 /nfs/dbraw/zinc/45/94/89/484459489.db2.gz AVEDNZKLHGHLND-CQSZACIVSA-N 0 3 358.398 -0.018 20 0 FBADHN O=C(CN1CCCS1(=O)=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617699277 484459444 /nfs/dbraw/zinc/45/94/44/484459444.db2.gz JGLICPMLWUUESM-INIZCTEOSA-N 0 3 367.471 -0.095 20 0 FBADHN O=C(CN1CCCS1(=O)=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617699278 484458712 /nfs/dbraw/zinc/45/87/12/484458712.db2.gz JGLICPMLWUUESM-MRXNPFEDSA-N 0 3 367.471 -0.095 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1=O ZINC000617699337 484459654 /nfs/dbraw/zinc/45/96/54/484459654.db2.gz KPKNHHRIBPMMKE-INIZCTEOSA-N 0 3 372.425 -0.570 20 0 FBADHN Cn1c(=O)ccn(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1=O ZINC000617699338 484459530 /nfs/dbraw/zinc/45/95/30/484459530.db2.gz KPKNHHRIBPMMKE-MRXNPFEDSA-N 0 3 372.425 -0.570 20 0 FBADHN CN(CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)S(C)(=O)=O ZINC000617699932 484460084 /nfs/dbraw/zinc/46/00/84/484460084.db2.gz WPOSNGFRCCMPGA-HNNXBMFYSA-N 0 3 355.460 -0.239 20 0 FBADHN CN(CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)S(C)(=O)=O ZINC000617699933 484458739 /nfs/dbraw/zinc/45/87/39/484458739.db2.gz WPOSNGFRCCMPGA-OAHLLOKOSA-N 0 3 355.460 -0.239 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1=O ZINC000617700226 484459062 /nfs/dbraw/zinc/45/90/62/484459062.db2.gz AFIFEAAQTLEYBQ-AWEZNQCLSA-N 0 3 374.397 -0.710 20 0 FBADHN CN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1=O ZINC000617700227 484459341 /nfs/dbraw/zinc/45/93/41/484459341.db2.gz AFIFEAAQTLEYBQ-CQSZACIVSA-N 0 3 374.397 -0.710 20 0 FBADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700690 484459898 /nfs/dbraw/zinc/45/98/98/484459898.db2.gz JUXJTQLPIXDANI-GFCCVEGCSA-N 0 3 359.386 -0.033 20 0 FBADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617700690 484459891 /nfs/dbraw/zinc/45/98/91/484459891.db2.gz JUXJTQLPIXDANI-GFCCVEGCSA-N 0 3 359.386 -0.033 20 0 FBADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617700691 484459375 /nfs/dbraw/zinc/45/93/75/484459375.db2.gz JUXJTQLPIXDANI-LBPRGKRZSA-N 0 3 359.386 -0.033 20 0 FBADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617700691 484459372 /nfs/dbraw/zinc/45/93/72/484459372.db2.gz JUXJTQLPIXDANI-LBPRGKRZSA-N 0 3 359.386 -0.033 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1=O ZINC000617701180 484459181 /nfs/dbraw/zinc/45/91/81/484459181.db2.gz RAUWJFPXLBBRFI-AWEZNQCLSA-N 0 3 358.398 -0.018 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1=O ZINC000617701181 484459508 /nfs/dbraw/zinc/45/95/08/484459508.db2.gz RAUWJFPXLBBRFI-CQSZACIVSA-N 0 3 358.398 -0.018 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617701562 484458908 /nfs/dbraw/zinc/45/89/08/484458908.db2.gz ZJUKBZSAXVQSFW-DOMZBBRYSA-N 0 3 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484459002 /nfs/dbraw/zinc/45/90/02/484459002.db2.gz RKXYTFYMDQJOFJ-QZTJIDSGSA-N 0 3 374.441 -0.267 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cnn(C[C@H](O)CO)c1 ZINC000617705288 484459545 /nfs/dbraw/zinc/45/95/45/484459545.db2.gz RKXYTFYMDQJOFJ-ROUUACIJSA-N 0 3 374.441 -0.267 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cnn(C[C@@H](O)CO)c1 ZINC000617705289 484459223 /nfs/dbraw/zinc/45/92/23/484459223.db2.gz RKXYTFYMDQJOFJ-ZWKOTPCHSA-N 0 3 374.441 -0.267 20 0 FBADHN Cn1cnn(CCC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1=O ZINC000617705486 484459804 /nfs/dbraw/zinc/45/98/04/484459804.db2.gz WHXUUIVUBXRCOW-INIZCTEOSA-N 0 3 359.430 -0.145 20 0 FBADHN Cn1cnn(CCC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1=O ZINC000617705487 484459849 /nfs/dbraw/zinc/45/98/49/484459849.db2.gz WHXUUIVUBXRCOW-MRXNPFEDSA-N 0 3 359.430 -0.145 20 0 FBADHN CN(C)CCOc1cc(C(=O)NC[C@@]2(OCCO)CCOC2)ccn1 ZINC000617709352 484460619 /nfs/dbraw/zinc/46/06/19/484460619.db2.gz VTFPEZRLZAAEPH-KRWDZBQOSA-N 0 3 353.419 -0.080 20 0 FBADHN 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Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000620932736 484618040 /nfs/dbraw/zinc/61/80/40/484618040.db2.gz GGTDQGJHHYTZSD-UHFFFAOYSA-N 0 3 369.491 -0.063 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000620971628 484619444 /nfs/dbraw/zinc/61/94/44/484619444.db2.gz MHVZICDHSLGNNR-CYBMUJFWSA-N 0 3 373.479 -0.732 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620971629 484619034 /nfs/dbraw/zinc/61/90/34/484619034.db2.gz MHVZICDHSLGNNR-ZDUSSCGKSA-N 0 3 373.479 -0.732 20 0 FBADHN NS(=O)(=O)c1cc(CNC(=O)[C@H]2CN3CCN2CCC3)ccc1F ZINC000621004187 484620371 /nfs/dbraw/zinc/62/03/71/484620371.db2.gz AZAVDFBBTNUKCT-CYBMUJFWSA-N 0 3 356.423 -0.521 20 0 FBADHN NS(=O)(=O)c1cc(CNC(=O)[C@@H]2CN3CCN2CCC3)ccc1F ZINC000621004188 484620596 /nfs/dbraw/zinc/62/05/96/484620596.db2.gz AZAVDFBBTNUKCT-ZDUSSCGKSA-N 0 3 356.423 -0.521 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000621107045 484625444 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CC(C)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000621519425 484669015 /nfs/dbraw/zinc/66/90/15/484669015.db2.gz FHSXKRGGWLJUGM-LLVKDONJSA-N 0 3 372.447 -0.415 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000621521448 484670139 /nfs/dbraw/zinc/67/01/39/484670139.db2.gz PUXZEVXPQXKOMA-HNNXBMFYSA-N 0 3 354.476 -0.750 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000621521449 484670037 /nfs/dbraw/zinc/67/00/37/484670037.db2.gz PUXZEVXPQXKOMA-OAHLLOKOSA-N 0 3 354.476 -0.750 20 0 FBADHN CC1CC(CNC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000621662966 484681827 /nfs/dbraw/zinc/68/18/27/484681827.db2.gz QHNJJRZAYSRYER-UHFFFAOYSA-N 0 3 364.450 -0.338 20 0 FBADHN NC(=O)c1cc(F)ccc1N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000621672994 484682682 /nfs/dbraw/zinc/68/26/82/484682682.db2.gz BCPYMTVFFYUNEJ-CYBMUJFWSA-N 0 3 350.394 -0.048 20 0 FBADHN NC(=O)c1cc(F)ccc1N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000621672995 484683212 /nfs/dbraw/zinc/68/32/12/484683212.db2.gz 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Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cn1C ZINC000621691697 484684626 /nfs/dbraw/zinc/68/46/26/484684626.db2.gz BYSVNRMXCKYXHG-WFASDCNBSA-N 0 3 355.464 -0.263 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@H]1CO ZINC000621747789 484694333 /nfs/dbraw/zinc/69/43/33/484694333.db2.gz YZYHLCXKMHUDJV-CABCVRRESA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@H]1CO ZINC000621747792 484696157 /nfs/dbraw/zinc/69/61/57/484696157.db2.gz YZYHLCXKMHUDJV-GJZGRUSLSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@@H]1CO ZINC000621747793 484695158 /nfs/dbraw/zinc/69/51/58/484695158.db2.gz YZYHLCXKMHUDJV-HUUCEWRRSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@@H]1CO ZINC000621747794 484696047 /nfs/dbraw/zinc/69/60/47/484696047.db2.gz YZYHLCXKMHUDJV-LSDHHAIUSA-N 0 3 354.495 -0.395 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](C)[C@@H](CO)C2)CC1 ZINC000621748292 484695406 /nfs/dbraw/zinc/69/54/06/484695406.db2.gz DBYCGOLKBLOUHU-DLBZAZTESA-N 0 3 368.522 -0.003 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](CO)C2)CC1 ZINC000621748293 484696107 /nfs/dbraw/zinc/69/61/07/484696107.db2.gz DBYCGOLKBLOUHU-IAGOWNOFSA-N 0 3 368.522 -0.003 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](C)[C@H](CO)C2)CC1 ZINC000621748294 484695134 /nfs/dbraw/zinc/69/51/34/484695134.db2.gz DBYCGOLKBLOUHU-IRXDYDNUSA-N 0 3 368.522 -0.003 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@H](CO)C2)CC1 ZINC000621748295 484696118 /nfs/dbraw/zinc/69/61/18/484696118.db2.gz DBYCGOLKBLOUHU-SJORKVTESA-N 0 3 368.522 -0.003 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1)CN1CCN(C)CC1 ZINC000621748420 484695338 /nfs/dbraw/zinc/69/53/38/484695338.db2.gz FZNHCTWSSVIUBB-BZUAXINKSA-N 0 3 354.495 -0.537 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1)CN1CCN(C)CC1 ZINC000621748421 484695925 /nfs/dbraw/zinc/69/59/25/484695925.db2.gz FZNHCTWSSVIUBB-OAGGEKHMSA-N 0 3 354.495 -0.537 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1)CN1CCN(C)CC1 ZINC000621748422 484695554 /nfs/dbraw/zinc/69/55/54/484695554.db2.gz FZNHCTWSSVIUBB-OWCLPIDISA-N 0 3 354.495 -0.537 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1)CN1CCN(C)CC1 ZINC000621748423 484696170 /nfs/dbraw/zinc/69/61/70/484696170.db2.gz FZNHCTWSSVIUBB-PMPSAXMXSA-N 0 3 354.495 -0.537 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H]1CO ZINC000621749415 484695443 /nfs/dbraw/zinc/69/54/43/484695443.db2.gz YNZFXSOGLPUAOC-CVEARBPZSA-N 0 3 354.495 -0.393 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H]1CO ZINC000621749416 484696192 /nfs/dbraw/zinc/69/61/92/484696192.db2.gz YNZFXSOGLPUAOC-HOTGVXAUSA-N 0 3 354.495 -0.393 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@@H]1CO ZINC000621749417 484696003 /nfs/dbraw/zinc/69/60/03/484696003.db2.gz YNZFXSOGLPUAOC-HZPDHXFCSA-N 0 3 354.495 -0.393 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@@H]1CO ZINC000621749418 484695887 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C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H]1CO ZINC000621765993 484698918 /nfs/dbraw/zinc/69/89/18/484698918.db2.gz KAICFUAYIMTORH-HUUCEWRRSA-N 0 3 354.495 -0.395 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H]1CO ZINC000621765994 484699192 /nfs/dbraw/zinc/69/91/92/484699192.db2.gz KAICFUAYIMTORH-LSDHHAIUSA-N 0 3 354.495 -0.395 20 0 FBADHN NC(=O)c1cc(F)ccc1N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000621778530 484705576 /nfs/dbraw/zinc/70/55/76/484705576.db2.gz QXWVZVAWMYJVBU-UHFFFAOYSA-N 0 3 363.437 -0.132 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@H]1CO ZINC000621799721 484709891 /nfs/dbraw/zinc/70/98/91/484709891.db2.gz INYUSDWQSQRUOB-FMKPAKJESA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@H]1CO ZINC000621799722 484709566 /nfs/dbraw/zinc/70/95/66/484709566.db2.gz INYUSDWQSQRUOB-IIAWOOMASA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1CO ZINC000621799723 484709601 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C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@@H]1CO ZINC000621817161 484713458 /nfs/dbraw/zinc/71/34/58/484713458.db2.gz TVSKEZQKRYWBPZ-BRWVUGGUSA-N 0 3 366.506 -0.298 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@H]1CO ZINC000621817162 484714080 /nfs/dbraw/zinc/71/40/80/484714080.db2.gz TVSKEZQKRYWBPZ-IKGGRYGDSA-N 0 3 366.506 -0.298 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@H]1CO ZINC000621817163 484713736 /nfs/dbraw/zinc/71/37/36/484713736.db2.gz TVSKEZQKRYWBPZ-IXDOHACOSA-N 0 3 366.506 -0.298 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@@H]1CO ZINC000621817164 484713605 /nfs/dbraw/zinc/71/36/05/484713605.db2.gz TVSKEZQKRYWBPZ-ZACQAIPSSA-N 0 3 366.506 -0.298 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)C[C@H]1CO ZINC000621823612 484716512 /nfs/dbraw/zinc/71/65/12/484716512.db2.gz KHLBKXAHRLHVFX-CABCVRRESA-N 0 3 353.463 -0.214 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)C[C@H]1CO ZINC000621823613 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/nfs/dbraw/zinc/83/22/01/484832201.db2.gz SKBDSKIMZPKIRW-UHFFFAOYSA-N 0 3 351.436 -0.441 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)N2CCO[C@@H](CC(N)=O)C2)ccn1 ZINC000623824939 484833511 /nfs/dbraw/zinc/83/35/11/484833511.db2.gz SUHVEGZQMLVCPM-AWEZNQCLSA-N 0 3 365.434 -0.192 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)N2CCO[C@H](CC(N)=O)C2)ccn1 ZINC000623824940 484833481 /nfs/dbraw/zinc/83/34/81/484833481.db2.gz SUHVEGZQMLVCPM-CQSZACIVSA-N 0 3 365.434 -0.192 20 0 FBADHN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(N)nc(N)n1 ZINC000623827611 484833246 /nfs/dbraw/zinc/83/32/46/484833246.db2.gz NECPWLKWPHDTNF-SECBINFHSA-N 0 3 356.390 -0.103 20 0 FBADHN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(N)nc(N)n1 ZINC000623827612 484833932 /nfs/dbraw/zinc/83/39/32/484833932.db2.gz NECPWLKWPHDTNF-VIFPVBQESA-N 0 3 356.390 -0.103 20 0 FBADHN Nc1nc(N)nc(N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000623827772 484833707 /nfs/dbraw/zinc/83/37/07/484833707.db2.gz WPTRIBMVYMZODU-UHFFFAOYSA-N 0 3 355.449 -0.294 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(CNc2nc(N)nc(N)n2)s1 ZINC000623827951 484833678 /nfs/dbraw/zinc/83/36/78/484833678.db2.gz CUDDCFIWGLTFCN-UHFFFAOYSA-N 0 3 357.465 -0.177 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)nc(N)n3)CC2)cc1 ZINC000623829569 484834136 /nfs/dbraw/zinc/83/41/36/484834136.db2.gz MXXJTIAOMFSSJS-UHFFFAOYSA-N 0 3 363.447 -0.308 20 0 FBADHN Nc1nc(N)nc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1 ZINC000623829893 484834233 /nfs/dbraw/zinc/83/42/33/484834233.db2.gz XNIJLSNQBRNKMW-UHFFFAOYSA-N 0 3 363.447 -0.095 20 0 FBADHN COc1ccc(C(=O)N2CCN(c3nc(N)nc(N)n3)CC2)cc1OC ZINC000623833413 484834309 /nfs/dbraw/zinc/83/43/09/484834309.db2.gz DQEFPEZAFUBDQR-UHFFFAOYSA-N 0 3 359.390 -0.324 20 0 FBADHN COc1cc(CNCCN2CC[C@H](O)C2)cc(OC)c1OCC(N)=O ZINC000623836881 484832941 /nfs/dbraw/zinc/83/29/41/484832941.db2.gz NMQYAOAJHZUVKW-ZDUSSCGKSA-N 0 3 353.419 -0.276 20 0 FBADHN COc1cc(OC)cc(C(=O)N2CCN(c3nc(N)nc(N)n3)CC2)c1 ZINC000623845590 484832901 /nfs/dbraw/zinc/83/29/01/484832901.db2.gz OGWJXVMAJIDMFA-UHFFFAOYSA-N 0 3 359.390 -0.324 20 0 FBADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623846437 483668011 /nfs/dbraw/zinc/66/80/11/483668011.db2.gz ZJIHVPZXBWJSAZ-UHFFFAOYSA-N 0 3 370.483 -0.672 20 0 FBADHN Nc1nc(N)nc(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000623849005 483680026 /nfs/dbraw/zinc/68/00/26/483680026.db2.gz SCSVCFYEDRVXJD-UHFFFAOYSA-N 0 3 367.410 -0.217 20 0 FBADHN Nc1nc(N)nc(NCc2cccc(NC(=O)CCN3CCOCC3)c2)n1 ZINC000623876837 484838021 /nfs/dbraw/zinc/83/80/21/484838021.db2.gz HFBWOWJKTCYDTN-UHFFFAOYSA-N 0 3 372.433 -0.608 20 0 FBADHN COc1ccc(C(=O)N2CCN(c3nc(N)nc(N)n3)CC2)c(OC)c1 ZINC000623881927 484838337 /nfs/dbraw/zinc/83/83/37/484838337.db2.gz DHNBFFAJIRMXOM-UHFFFAOYSA-N 0 3 359.390 -0.324 20 0 FBADHN CC(C)NS(=O)(=O)Cc1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000623890463 484839947 /nfs/dbraw/zinc/83/99/47/484839947.db2.gz MTESDPPQCJLILD-UHFFFAOYSA-N 0 3 351.436 -0.441 20 0 FBADHN CC(C)N(C)S(=O)(=O)c1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000623890576 484839110 /nfs/dbraw/zinc/83/91/10/484839110.db2.gz PUCJELAIEYIBAF-UHFFFAOYSA-N 0 3 351.436 -0.240 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(CNc3nc(N)nc(N)n3)cc2)C[C@@H](C)O1 ZINC000623891740 484839537 /nfs/dbraw/zinc/83/95/37/484839537.db2.gz ULOMJUAIYJFLPU-GHMZBOCLSA-N 0 3 357.418 -0.020 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(CNc3nc(N)nc(N)n3)cc2)C[C@H](C)O1 ZINC000623891741 484839594 /nfs/dbraw/zinc/83/95/94/484839594.db2.gz ULOMJUAIYJFLPU-PHIMTYICSA-N 0 3 357.418 -0.020 20 0 FBADHN C[C@H]1CN(C(=O)c2ccc(CNc3nc(N)nc(N)n3)cc2)C[C@H](C)O1 ZINC000623891742 484839421 /nfs/dbraw/zinc/83/94/21/484839421.db2.gz ULOMJUAIYJFLPU-QWRGUYRKSA-N 0 3 357.418 -0.020 20 0 FBADHN CC(C)(C)NS(=O)(=O)c1ccccc1CNc1nc(N)nc(N)n1 ZINC000623893645 484839301 /nfs/dbraw/zinc/83/93/01/484839301.db2.gz XZFXKZAWAKRLAG-UHFFFAOYSA-N 0 3 351.436 -0.192 20 0 FBADHN COc1ccc(CCC(=O)N2CCN(c3nc(N)nc(N)n3)CC2)cc1 ZINC000623895280 484839728 /nfs/dbraw/zinc/83/97/28/484839728.db2.gz MSWAXOYYEQEMQG-UHFFFAOYSA-N 0 3 357.418 -0.013 20 0 FBADHN Cc1cc(S(=O)(=O)N2CCN(c3nc(N)nc(N)n3)CC2)c(C)s1 ZINC000623896106 484839345 /nfs/dbraw/zinc/83/93/45/484839345.db2.gz IHDHRICPBZANJT-UHFFFAOYSA-N 0 3 369.476 -0.114 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2nccnn2)CC1 ZINC000623900327 484839477 /nfs/dbraw/zinc/83/94/77/484839477.db2.gz HYYPVGIDYJWVJF-HNNXBMFYSA-N 0 3 362.482 -0.271 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2nccnn2)CC1 ZINC000623900328 484839799 /nfs/dbraw/zinc/83/97/99/484839799.db2.gz HYYPVGIDYJWVJF-OAHLLOKOSA-N 0 3 362.482 -0.271 20 0 FBADHN COc1cccc(C(=O)N2CCN(c3nc(N)nc(N)n3)CC2)c1OC ZINC000623908779 484839503 /nfs/dbraw/zinc/83/95/03/484839503.db2.gz QJJIZDIWEXEZIL-UHFFFAOYSA-N 0 3 359.390 -0.324 20 0 FBADHN Nc1nc(N)nc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000623909681 484839846 /nfs/dbraw/zinc/83/98/46/484839846.db2.gz FEDXJOLFVYSXEY-UHFFFAOYSA-N 0 3 363.447 -0.369 20 0 FBADHN COc1ccccc1CC(=O)N1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623912254 484839401 /nfs/dbraw/zinc/83/94/01/484839401.db2.gz CPUCQYHHJJBEQH-UHFFFAOYSA-N 0 3 357.418 -0.227 20 0 FBADHN Nc1nc(N)nc(NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000623915860 484516909 /nfs/dbraw/zinc/51/69/09/484516909.db2.gz VQLCUVDOLYXTQW-UHFFFAOYSA-N 0 3 362.825 -0.467 20 0 FBADHN Nc1nc(N)nc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000623926851 484839261 /nfs/dbraw/zinc/83/92/61/484839261.db2.gz RFOMDGLPRXBKID-UHFFFAOYSA-N 0 3 363.447 -0.095 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(CCNc2nc(N)nc(N)n2)s1 ZINC000623939224 484536992 /nfs/dbraw/zinc/53/69/92/484536992.db2.gz JRKOGLHITHOAIU-UHFFFAOYSA-N 0 3 371.492 -0.135 20 0 FBADHN Nc1nc(N)nc(N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 ZINC000623941594 484841373 /nfs/dbraw/zinc/84/13/73/484841373.db2.gz XVRYPIOFBKWECF-JTQLQIEISA-N 0 3 367.410 -0.217 20 0 FBADHN Nc1nc(N)nc(N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 ZINC000623941595 484841154 /nfs/dbraw/zinc/84/11/54/484841154.db2.gz XVRYPIOFBKWECF-SNVBAGLBSA-N 0 3 367.410 -0.217 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000623948973 484840454 /nfs/dbraw/zinc/84/04/54/484840454.db2.gz CDWHMHYMKNLWFN-AWEZNQCLSA-N 0 3 359.496 -0.207 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000623948974 484841530 /nfs/dbraw/zinc/84/15/30/484841530.db2.gz CDWHMHYMKNLWFN-CQSZACIVSA-N 0 3 359.496 -0.207 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000623965261 484844352 /nfs/dbraw/zinc/84/43/52/484844352.db2.gz BZLKHOVQBQHPNJ-CYBMUJFWSA-N 0 3 361.512 -0.103 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000623965262 484843438 /nfs/dbraw/zinc/84/34/38/484843438.db2.gz BZLKHOVQBQHPNJ-ZDUSSCGKSA-N 0 3 361.512 -0.103 20 0 FBADHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623968172 484845352 /nfs/dbraw/zinc/84/53/52/484845352.db2.gz VXYRVCGCUFJZGP-UHFFFAOYSA-N 0 3 369.373 -0.511 20 0 FBADHN Nc1nc(N)nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000623980739 484845164 /nfs/dbraw/zinc/84/51/64/484845164.db2.gz RYVKGOAPLPJAAZ-UHFFFAOYSA-N 0 3 363.447 -0.475 20 0 FBADHN COc1ccc(C(=O)N2CCC(Nc3nc(N)nc(N)n3)CC2)cc1OC ZINC000623981588 484845313 /nfs/dbraw/zinc/84/53/13/484845313.db2.gz KJYRXTRNQAPSLQ-UHFFFAOYSA-N 0 3 373.417 -0.147 20 0 FBADHN CN1CCN(CCNC(=O)N2CCN(c3nccnn3)CC2)CC1(C)C ZINC000623997139 484846172 /nfs/dbraw/zinc/84/61/72/484846172.db2.gz CGNAELYGWITBMM-UHFFFAOYSA-N 0 3 362.482 -0.271 20 0 FBADHN COc1cc(OC)cc(N2CC[C@@H](N(C)c3nc(N)nc(N)n3)C2=O)c1 ZINC000624018608 484848321 /nfs/dbraw/zinc/84/83/21/484848321.db2.gz VBJFLDJOXRBTQO-GFCCVEGCSA-N 0 3 359.390 -0.044 20 0 FBADHN COc1cc(OC)cc(N2CC[C@H](N(C)c3nc(N)nc(N)n3)C2=O)c1 ZINC000624018609 484848250 /nfs/dbraw/zinc/84/82/50/484848250.db2.gz VBJFLDJOXRBTQO-LBPRGKRZSA-N 0 3 359.390 -0.044 20 0 FBADHN CN(C)CCNC(=O)c1ccc(NC(=O)CN2CC(=O)N(C)C2=O)cc1 ZINC000624022835 484848399 /nfs/dbraw/zinc/84/83/99/484848399.db2.gz CPDXTONSCYWMLH-UHFFFAOYSA-N 0 3 361.402 -0.190 20 0 FBADHN NS(=O)(=O)c1cnn(CCC(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000624026949 484849232 /nfs/dbraw/zinc/84/92/32/484849232.db2.gz ZJDIYPCGATWBPI-UHFFFAOYSA-N 0 3 364.431 -0.336 20 0 FBADHN Nc1nc(N)nc(NC[C@@H](O)COc2ccccc2Br)n1 ZINC000624041776 484850396 /nfs/dbraw/zinc/85/03/96/484850396.db2.gz INGOOGQDANVQLC-SSDOTTSWSA-N 0 3 355.196 -0.267 20 0 FBADHN Nc1nc(N)nc(NC[C@H](O)COc2ccccc2Br)n1 ZINC000624041777 484850344 /nfs/dbraw/zinc/85/03/44/484850344.db2.gz INGOOGQDANVQLC-ZETCQYMHSA-N 0 3 355.196 -0.267 20 0 FBADHN Cn1cc(N2C[C@@H](C(=O)NCCCCN3CCN(C)CC3)CC2=O)cn1 ZINC000624052061 484850772 /nfs/dbraw/zinc/85/07/72/484850772.db2.gz WGFJFEUEVFTVKU-HNNXBMFYSA-N 0 3 362.478 -0.083 20 0 FBADHN Cn1cc(N2C[C@H](C(=O)NCCCCN3CCN(C)CC3)CC2=O)cn1 ZINC000624052062 484850971 /nfs/dbraw/zinc/85/09/71/484850971.db2.gz WGFJFEUEVFTVKU-OAHLLOKOSA-N 0 3 362.478 -0.083 20 0 FBADHN Nc1nc(N)nc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000624054122 484852061 /nfs/dbraw/zinc/85/20/61/484852061.db2.gz YFBGBMDHBSCCPY-SECBINFHSA-N 0 3 355.358 -0.802 20 0 FBADHN Nc1nc(N)nc(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000624054123 484852843 /nfs/dbraw/zinc/85/28/43/484852843.db2.gz YFBGBMDHBSCCPY-VIFPVBQESA-N 0 3 355.358 -0.802 20 0 FBADHN Nc1nc(N)nc(NCc2ccccc2CS(=O)(=O)N2CCCC2)n1 ZINC000624062012 484852307 /nfs/dbraw/zinc/85/23/07/484852307.db2.gz QNTITWVFQSYKDY-UHFFFAOYSA-N 0 3 363.447 -0.344 20 0 FBADHN CC(C)CNS(=O)(=O)c1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000624068555 484852158 /nfs/dbraw/zinc/85/21/58/484852158.db2.gz ZAMYPTUHNSBYMI-UHFFFAOYSA-N 0 3 351.436 -0.335 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000624071106 484853735 /nfs/dbraw/zinc/85/37/35/484853735.db2.gz WWTUOLKGRADXRI-HNNXBMFYSA-N 0 3 362.478 -0.083 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000624071107 484853972 /nfs/dbraw/zinc/85/39/72/484853972.db2.gz WWTUOLKGRADXRI-OAHLLOKOSA-N 0 3 362.478 -0.083 20 0 FBADHN Nc1nc(N)nc(NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 ZINC000624085485 484853895 /nfs/dbraw/zinc/85/38/95/484853895.db2.gz XUANDPHTBIJSJQ-QWHCGFSZSA-N 0 3 354.418 -0.871 20 0 FBADHN CN1CCOC[C@@H]1CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000624108708 484855183 /nfs/dbraw/zinc/85/51/83/484855183.db2.gz BEFGLFWJLVBTIP-HNNXBMFYSA-N 0 3 355.483 -0.392 20 0 FBADHN CN1CCOC[C@H]1CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000624108709 484856020 /nfs/dbraw/zinc/85/60/20/484856020.db2.gz BEFGLFWJLVBTIP-OAHLLOKOSA-N 0 3 355.483 -0.392 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)NCC(=O)NCCN2CCCCCC2)CCO1 ZINC000624108785 484855161 /nfs/dbraw/zinc/85/51/61/484855161.db2.gz FEBMRBISEHSLRK-AWEZNQCLSA-N 0 3 369.466 -0.736 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)NCC(=O)NCCN2CCCCCC2)CCO1 ZINC000624108786 484855143 /nfs/dbraw/zinc/85/51/43/484855143.db2.gz FEBMRBISEHSLRK-CQSZACIVSA-N 0 3 369.466 -0.736 20 0 FBADHN C[C@@H]1[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)CCS1(=O)=O ZINC000624109321 484148169 /nfs/dbraw/zinc/14/81/69/484148169.db2.gz UCUIDMAGRZFZDB-ZIAGYGMSSA-N 0 3 374.507 -0.147 20 0 FBADHN Nc1nc(N)nc(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)n1 ZINC000624111720 484855041 /nfs/dbraw/zinc/85/50/41/484855041.db2.gz CKNFDAPKGFLWSU-UHFFFAOYSA-N 0 3 353.383 -0.590 20 0 FBADHN CN1C(=O)CN(CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1=O ZINC000624140553 484856842 /nfs/dbraw/zinc/85/68/42/484856842.db2.gz HTLGEXARDQIJKF-UHFFFAOYSA-N 0 3 373.457 -0.056 20 0 FBADHN CCCN(CCC)S(=O)(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624155929 484859015 /nfs/dbraw/zinc/85/90/15/484859015.db2.gz KCADRGNLTCVGEP-UHFFFAOYSA-N 0 3 358.472 -0.814 20 0 FBADHN Nc1nc(N)nc(NCCCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000624181097 484861703 /nfs/dbraw/zinc/86/17/03/484861703.db2.gz ZZPVDNHQJRQSSM-UHFFFAOYSA-N 0 3 357.827 -0.447 20 0 FBADHN C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3nc(N)nc(N)n3)c2)C1=O ZINC000624190372 484861287 /nfs/dbraw/zinc/86/12/87/484861287.db2.gz BKATZUKSIIVRAT-KRWDZBQOSA-N 0 3 368.401 -0.044 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3nc(N)nc(N)n3)c2)C1=O ZINC000624190373 484862040 /nfs/dbraw/zinc/86/20/40/484862040.db2.gz BKATZUKSIIVRAT-QGZVFWFLSA-N 0 3 368.401 -0.044 20 0 FBADHN CN1CCC(CNC(=O)NC[C@H]2COCCN2C)(N2CCOCC2)CC1 ZINC000624200125 484862911 /nfs/dbraw/zinc/86/29/11/484862911.db2.gz FJVCCENSMPJDRI-INIZCTEOSA-N 0 3 369.510 -0.587 20 0 FBADHN CN1CCC(CNC(=O)NC[C@@H]2COCCN2C)(N2CCOCC2)CC1 ZINC000624200126 484862941 /nfs/dbraw/zinc/86/29/41/484862941.db2.gz FJVCCENSMPJDRI-MRXNPFEDSA-N 0 3 369.510 -0.587 20 0 FBADHN CN1CCC(CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)(N2CCOCC2)CC1 ZINC000624201059 484863006 /nfs/dbraw/zinc/86/30/06/484863006.db2.gz YEIJFLWMHAOSOT-HDJSIYSDSA-N 0 3 353.467 -0.654 20 0 FBADHN CCn1nncc1CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000624201162 484862971 /nfs/dbraw/zinc/86/29/71/484862971.db2.gz ZZGPUDOZIBEAEC-UHFFFAOYSA-N 0 3 365.482 -0.106 20 0 FBADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1nc(N)nc(N)n1 ZINC000624217775 484863614 /nfs/dbraw/zinc/86/36/14/484863614.db2.gz IBJXYFDMICQIMU-UHFFFAOYSA-N 0 3 357.827 -0.529 20 0 FBADHN COc1ccc(CN2CC[C@@H](Nc3nc(N)nc(N)n3)C2=O)c(OC)c1 ZINC000624220777 484863212 /nfs/dbraw/zinc/86/32/12/484863212.db2.gz DOPWMBFIMJUVIW-LLVKDONJSA-N 0 3 359.390 -0.651 20 0 FBADHN COc1ccc(CN2CC[C@H](Nc3nc(N)nc(N)n3)C2=O)c(OC)c1 ZINC000624220778 484863578 /nfs/dbraw/zinc/86/35/78/484863578.db2.gz DOPWMBFIMJUVIW-NSHDSACASA-N 0 3 359.390 -0.651 20 0 FBADHN COCCN1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000624243789 484864547 /nfs/dbraw/zinc/86/45/47/484864547.db2.gz RREIQAZTWMLVFD-UHFFFAOYSA-N 0 3 371.459 -0.060 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2cc(C(F)(F)F)on2)n1 ZINC000624253281 484865308 /nfs/dbraw/zinc/86/53/08/484865308.db2.gz VVIUSIMJPODWJW-UHFFFAOYSA-N 0 3 361.328 -0.019 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC2CCC(CS(C)(=O)=O)CC2)C1 ZINC000624285190 483668850 /nfs/dbraw/zinc/66/88/50/483668850.db2.gz LXIMDCVATOMAPQ-UHFFFAOYSA-N 0 3 353.510 -0.330 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316782 484867656 /nfs/dbraw/zinc/86/76/56/484867656.db2.gz SYFQFCNDEFODDM-KBPBESRZSA-N 0 3 359.496 -0.207 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316783 484867886 /nfs/dbraw/zinc/86/78/86/484867886.db2.gz SYFQFCNDEFODDM-KGLIPLIRSA-N 0 3 359.496 -0.207 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316784 484868114 /nfs/dbraw/zinc/86/81/14/484868114.db2.gz SYFQFCNDEFODDM-UONOGXRCSA-N 0 3 359.496 -0.207 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316785 484867103 /nfs/dbraw/zinc/86/71/03/484867103.db2.gz SYFQFCNDEFODDM-ZIAGYGMSSA-N 0 3 359.496 -0.207 20 0 FBADHN CN1CCN(S(=O)(=O)c2cccnc2OCC(F)F)[C@@H](CN)C1 ZINC000624357436 483693113 /nfs/dbraw/zinc/69/31/13/483693113.db2.gz SDYCTENNRHKGQJ-JTQLQIEISA-N 0 3 350.391 -0.011 20 0 FBADHN CN1CCN(S(=O)(=O)c2cccnc2OCC(F)F)[C@H](CN)C1 ZINC000624357437 483693163 /nfs/dbraw/zinc/69/31/63/483693163.db2.gz SDYCTENNRHKGQJ-SNVBAGLBSA-N 0 3 350.391 -0.011 20 0 FBADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000624375893 484869645 /nfs/dbraw/zinc/86/96/45/484869645.db2.gz BDVWOKJIGZVIDU-UHFFFAOYSA-N 0 3 366.325 -0.128 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000624377207 483694291 /nfs/dbraw/zinc/69/42/91/483694291.db2.gz RHNOZQBQPTZEGR-CYBMUJFWSA-N 0 3 361.512 -0.103 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000624377208 483694332 /nfs/dbraw/zinc/69/43/32/483694332.db2.gz RHNOZQBQPTZEGR-ZDUSSCGKSA-N 0 3 361.512 -0.103 20 0 FBADHN Cn1cc([C@@H]2[C@@H](CNc3nc(N)nc(N)n3)CC(=O)N2C(C)(C)C)cn1 ZINC000624377843 484869527 /nfs/dbraw/zinc/86/95/27/484869527.db2.gz AWMNOGWVHUTARX-SKDRFNHKSA-N 0 3 359.438 -0.348 20 0 FBADHN CCCN1CC[C@H](NC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 ZINC000624380543 484869709 /nfs/dbraw/zinc/86/97/09/484869709.db2.gz JYUAHPPEXLIAEL-HNNXBMFYSA-N 0 3 353.467 -0.149 20 0 FBADHN CCCN1CC[C@@H](NC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 ZINC000624380544 484868870 /nfs/dbraw/zinc/86/88/70/484868870.db2.gz JYUAHPPEXLIAEL-OAHLLOKOSA-N 0 3 353.467 -0.149 20 0 FBADHN CCN(CC[NH3+])S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000624381081 484868637 /nfs/dbraw/zinc/86/86/37/484868637.db2.gz AAFVYRFTVOWHBI-HNNXBMFYSA-N 0 3 370.431 -0.281 20 0 FBADHN CCN(CC[NH3+])S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000624381082 484868750 /nfs/dbraw/zinc/86/87/50/484868750.db2.gz AAFVYRFTVOWHBI-OAHLLOKOSA-N 0 3 370.431 -0.281 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000624382429 483694340 /nfs/dbraw/zinc/69/43/40/483694340.db2.gz BPOXKBHOAHXVHP-CABCVRRESA-N 0 3 369.466 -0.421 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000624382430 483694060 /nfs/dbraw/zinc/69/40/60/483694060.db2.gz BPOXKBHOAHXVHP-GJZGRUSLSA-N 0 3 369.466 -0.421 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000624382431 483694424 /nfs/dbraw/zinc/69/44/24/483694424.db2.gz BPOXKBHOAHXVHP-HUUCEWRRSA-N 0 3 369.466 -0.421 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000624382432 483694441 /nfs/dbraw/zinc/69/44/41/483694441.db2.gz BPOXKBHOAHXVHP-LSDHHAIUSA-N 0 3 369.466 -0.421 20 0 FBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCN(c2nccnn2)CC1 ZINC000624382834 483694482 /nfs/dbraw/zinc/69/44/82/483694482.db2.gz ORALVTVKWFBYEF-HNNXBMFYSA-N 0 3 361.450 -0.044 20 0 FBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCN(c2nccnn2)CC1 ZINC000624382835 483694203 /nfs/dbraw/zinc/69/42/03/483694203.db2.gz ORALVTVKWFBYEF-OAHLLOKOSA-N 0 3 361.450 -0.044 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCCc3cccc(CN)c32)c(=O)n(C)c1=O ZINC000624388378 483695403 /nfs/dbraw/zinc/69/54/03/483695403.db2.gz VVGGSEKTNZTZKF-UHFFFAOYSA-N 0 3 364.427 -0.316 20 0 FBADHN CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000624392925 484869681 /nfs/dbraw/zinc/86/96/81/484869681.db2.gz DDBYCIZEKQGMJO-WDEREUQCSA-N 0 3 353.404 -0.547 20 0 FBADHN C[NH2+]CCOCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000624395219 483696413 /nfs/dbraw/zinc/69/64/13/483696413.db2.gz MXVJXGCJWQFTMN-UHFFFAOYSA-N 0 3 369.440 -0.289 20 0 FBADHN C[NH2+]CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000624395341 483696310 /nfs/dbraw/zinc/69/63/10/483696310.db2.gz SJRVWGPHLJYJGS-UHFFFAOYSA-N 0 3 365.839 -0.282 20 0 FBADHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000624395942 483696368 /nfs/dbraw/zinc/69/63/68/483696368.db2.gz VRVYHFMCCGPRMX-UHFFFAOYSA-N 0 3 365.477 -0.549 20 0 FBADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOCCC[NH3+] ZINC000624408034 484870306 /nfs/dbraw/zinc/87/03/06/484870306.db2.gz ASLIQLFLXFBDBB-UHFFFAOYSA-N 0 3 365.839 -0.152 20 0 FBADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1F ZINC000624408330 483698001 /nfs/dbraw/zinc/69/80/01/483698001.db2.gz ODAXLWWPIDYBJE-UHFFFAOYSA-N 0 3 369.440 -0.159 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOCCC[NH3+] ZINC000624408460 483697844 /nfs/dbraw/zinc/69/78/44/483697844.db2.gz UOHKTRKQWUKLGY-UHFFFAOYSA-N 0 3 365.477 -0.419 20 0 FBADHN CN(CCOCC[NH3+])S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000624409792 484870493 /nfs/dbraw/zinc/87/04/93/484870493.db2.gz RJVJSDPTBLXCHI-UHFFFAOYSA-N 0 3 369.440 -0.207 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](n2cccn2)C(F)(F)F)n1 ZINC000624435593 483708406 /nfs/dbraw/zinc/70/84/06/483708406.db2.gz LCYMXSQJJDWTRL-JTQLQIEISA-N 0 3 374.371 -0.226 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000624435594 483707864 /nfs/dbraw/zinc/70/78/64/483707864.db2.gz LCYMXSQJJDWTRL-SNVBAGLBSA-N 0 3 374.371 -0.226 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2c(C(F)(F)F)cnn2C)n1 ZINC000624439305 483709131 /nfs/dbraw/zinc/70/91/31/483709131.db2.gz NZBYEQZSHJTVKD-UHFFFAOYSA-N 0 3 374.371 -0.274 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2Cc3ccccc3CO2)n1 ZINC000624440750 484872123 /nfs/dbraw/zinc/87/21/23/484872123.db2.gz XQZKLBIWBNGJFY-HNNXBMFYSA-N 0 3 358.446 -0.085 20 0 FBADHN CS(=O)(=O)c1ccc([C@H]2CN(c3nc(N)nc(N)n3)CCO2)cc1 ZINC000624451390 483713711 /nfs/dbraw/zinc/71/37/11/483713711.db2.gz OKKZGTAXBREMDH-LLVKDONJSA-N 0 3 350.404 -0.322 20 0 FBADHN CS(=O)(=O)c1ccc([C@@H]2CN(c3nc(N)nc(N)n3)CCO2)cc1 ZINC000624451391 483713291 /nfs/dbraw/zinc/71/32/91/483713291.db2.gz OKKZGTAXBREMDH-NSHDSACASA-N 0 3 350.404 -0.322 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2cc3c([nH]c2=O)CCC3)n1 ZINC000624525421 484873764 /nfs/dbraw/zinc/87/37/64/484873764.db2.gz LMMGDNRBLDPTNY-UHFFFAOYSA-N 0 3 359.434 -0.437 20 0 FBADHN CN1CCC[C@@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000624580976 660403130 /nfs/dbraw/zinc/40/31/30/660403130.db2.gz JTGYTLAMMBMDEP-OAHLLOKOSA-N 0 3 353.467 -0.733 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2Cc3ccccc3NC2=O)n1 ZINC000624630353 483427607 /nfs/dbraw/zinc/42/76/07/483427607.db2.gz GTUQEUGFTYPNAG-CYBMUJFWSA-N 0 3 357.418 -0.663 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2Cc3ccccc3NC2=O)n1 ZINC000624630354 483427541 /nfs/dbraw/zinc/42/75/41/483427541.db2.gz GTUQEUGFTYPNAG-ZDUSSCGKSA-N 0 3 357.418 -0.663 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2c3ccccc3C(=O)N2C)n1 ZINC000624635594 483429080 /nfs/dbraw/zinc/42/90/80/483429080.db2.gz LSEWKADMPOAQSK-AWEZNQCLSA-N 0 3 371.445 -0.399 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2c3ccccc3C(=O)N2C)n1 ZINC000624635595 483428919 /nfs/dbraw/zinc/42/89/19/483428919.db2.gz LSEWKADMPOAQSK-CQSZACIVSA-N 0 3 371.445 -0.399 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)n1 ZINC000624645280 483430709 /nfs/dbraw/zinc/43/07/09/483430709.db2.gz SFMYSQWYLCGPCJ-NEPJUHHUSA-N 0 3 370.479 -0.904 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc3oc(=O)n(C)c3c2)n1 ZINC000624659970 483432092 /nfs/dbraw/zinc/43/20/92/483432092.db2.gz OMNJKIQISIYDBL-UHFFFAOYSA-N 0 3 373.417 -0.581 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCC(C)(C)C(=O)N2CCCC2)n1 ZINC000624661075 483431939 /nfs/dbraw/zinc/43/19/39/483431939.db2.gz KPXZEDBPHZTCJD-UHFFFAOYSA-N 0 3 365.482 -0.578 20 0 FBADHN Cc1c(NCCN2CC[C@@H](O)C2)ncnc1NCCN1CC[C@@H](O)C1 ZINC000624677824 484200408 /nfs/dbraw/zinc/20/04/08/484200408.db2.gz FMFXUMQFKAMSFP-HUUCEWRRSA-N 0 3 350.467 -0.258 20 0 FBADHN Cc1nc(NCCN2CC[C@@H](O)C2)cc(NCCN2CC[C@@H](O)C2)n1 ZINC000624681086 484461824 /nfs/dbraw/zinc/46/18/24/484461824.db2.gz NAUPPPLLEAQPAL-HUUCEWRRSA-N 0 3 350.467 -0.258 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc(NCCN3CC[C@@H](O)C3)nc2)CC1 ZINC000624681907 483759401 /nfs/dbraw/zinc/75/94/01/483759401.db2.gz AYKJXTKGIKUPLV-CQSZACIVSA-N 0 3 369.491 -0.504 20 0 FBADHN CCNc1nc(NC2CN(S(=O)(=O)N(C)C)C2)nc(NC(C)(C)C)n1 ZINC000624706555 483435733 /nfs/dbraw/zinc/43/57/33/483435733.db2.gz JPYAMDLXAUTFJA-UHFFFAOYSA-N 0 3 372.499 -0.740 20 0 FBADHN CN1CCOC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000624732963 483435522 /nfs/dbraw/zinc/43/55/22/483435522.db2.gz MSFVNBWILAFSTK-HNNXBMFYSA-N 0 3 353.467 -0.733 20 0 FBADHN CN1CCOC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000624732965 483435862 /nfs/dbraw/zinc/43/58/62/483435862.db2.gz MSFVNBWILAFSTK-OAHLLOKOSA-N 0 3 353.467 -0.733 20 0 FBADHN CN1CCN(S(=O)(=O)c2ccc(NCCN3CC[C@H](O)C3)nc2)CC1 ZINC000624773600 483759172 /nfs/dbraw/zinc/75/91/72/483759172.db2.gz AYKJXTKGIKUPLV-AWEZNQCLSA-N 0 3 369.491 -0.504 20 0 FBADHN Cc1nc(NCCN2CC[C@H](O)C2)cc(NCCN2CC[C@H](O)C2)n1 ZINC000624774054 484460865 /nfs/dbraw/zinc/46/08/65/484460865.db2.gz NAUPPPLLEAQPAL-GJZGRUSLSA-N 0 3 350.467 -0.258 20 0 FBADHN Cc1c(NCCN2CC[C@H](O)C2)ncnc1NCCN1CC[C@H](O)C1 ZINC000624775773 484200037 /nfs/dbraw/zinc/20/00/37/484200037.db2.gz FMFXUMQFKAMSFP-GJZGRUSLSA-N 0 3 350.467 -0.258 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624786374 483439941 /nfs/dbraw/zinc/43/99/41/483439941.db2.gz LNSZYTKWHNRLSP-AWEZNQCLSA-N 0 3 359.496 -0.207 20 0 FBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624786382 483440581 /nfs/dbraw/zinc/44/05/81/483440581.db2.gz LNSZYTKWHNRLSP-CQSZACIVSA-N 0 3 359.496 -0.207 20 0 FBADHN CN1CCC[C@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000624946137 483447333 /nfs/dbraw/zinc/44/73/33/483447333.db2.gz JTGYTLAMMBMDEP-HNNXBMFYSA-N 0 3 353.467 -0.733 20 0 FBADHN CN1C(=O)CN(CC(=O)NCCCN2CCN(c3ccncc3)CC2)C1=O ZINC000624951747 483446859 /nfs/dbraw/zinc/44/68/59/483446859.db2.gz PMSSYIZAXJYDRM-UHFFFAOYSA-N 0 3 374.445 -0.396 20 0 FBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cnc(C)n2C)CC1 ZINC000624953497 483446535 /nfs/dbraw/zinc/44/65/35/483446535.db2.gz OQNOFNDIKSPMCM-UHFFFAOYSA-N 0 3 357.480 -0.097 20 0 FBADHN Cc1ncc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000624953685 483447109 /nfs/dbraw/zinc/44/71/09/483447109.db2.gz QKNJUTLBBHKPQD-UHFFFAOYSA-N 0 3 355.464 -0.343 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000625024831 483451281 /nfs/dbraw/zinc/45/12/81/483451281.db2.gz HZGSFDATJFKUMS-GXTWGEPZSA-N 0 3 351.451 -0.099 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000625024834 483451378 /nfs/dbraw/zinc/45/13/78/483451378.db2.gz HZGSFDATJFKUMS-JSGCOSHPSA-N 0 3 351.451 -0.099 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000625024836 483450737 /nfs/dbraw/zinc/45/07/37/483450737.db2.gz HZGSFDATJFKUMS-OCCSQVGLSA-N 0 3 351.451 -0.099 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000625024837 483451323 /nfs/dbraw/zinc/45/13/23/483451323.db2.gz HZGSFDATJFKUMS-TZMCWYRMSA-N 0 3 351.451 -0.099 20 0 FBADHN CN(C)CCN1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1=O ZINC000625028514 483450619 /nfs/dbraw/zinc/45/06/19/483450619.db2.gz UIZWVLDLBITUER-AWEZNQCLSA-N 0 3 351.451 -0.445 20 0 FBADHN CN(C)CCN1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1=O ZINC000625028515 483451718 /nfs/dbraw/zinc/45/17/18/483451718.db2.gz UIZWVLDLBITUER-CQSZACIVSA-N 0 3 351.451 -0.445 20 0 FBADHN Cc1ncc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C ZINC000625071454 483454251 /nfs/dbraw/zinc/45/42/51/483454251.db2.gz JXIYQRBNQGDDLX-CYBMUJFWSA-N 0 3 355.464 -0.344 20 0 FBADHN Cc1ncc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C ZINC000625071455 483453374 /nfs/dbraw/zinc/45/33/74/483453374.db2.gz JXIYQRBNQGDDLX-ZDUSSCGKSA-N 0 3 355.464 -0.344 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)NCCN(C)CCOC)[C@H]1c1nccn1C ZINC000625133469 483471783 /nfs/dbraw/zinc/47/17/83/483471783.db2.gz LFZDRHITQKIHPS-GJZGRUSLSA-N 0 3 367.450 -0.597 20 0 FBADHN Cc1ncc(S(=O)(=O)NCC(=O)NCCN2CCCCCC2)n1C ZINC000625227498 483483458 /nfs/dbraw/zinc/48/34/58/483483458.db2.gz UAMOARIXUHSIOO-UHFFFAOYSA-N 0 3 357.480 -0.001 20 0 FBADHN Cc1ncc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)n1C ZINC000625246202 483484640 /nfs/dbraw/zinc/48/46/40/483484640.db2.gz OODFURSFNFNEOH-UHFFFAOYSA-N 0 3 371.507 -0.197 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000625285426 483534579 /nfs/dbraw/zinc/53/45/79/483534579.db2.gz VBGOXTZFEDNPEN-UHFFFAOYSA-N 0 3 358.483 -0.168 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625286525 483533605 /nfs/dbraw/zinc/53/36/05/483533605.db2.gz HXEXUGAJCGGAID-AWEZNQCLSA-N 0 3 350.467 -0.275 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625286527 483533578 /nfs/dbraw/zinc/53/35/78/483533578.db2.gz HXEXUGAJCGGAID-CQSZACIVSA-N 0 3 350.467 -0.275 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)c1ccnc(N2CCOCC2)n1 ZINC000625286531 483533422 /nfs/dbraw/zinc/53/34/22/483533422.db2.gz HZTFEAOHSNHAPH-UHFFFAOYSA-N 0 3 350.467 -0.121 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000625358323 483568208 /nfs/dbraw/zinc/56/82/08/483568208.db2.gz IRSZTFSUVCTTAH-UHFFFAOYSA-N 0 3 352.435 -0.952 20 0 FBADHN COC[C@@]1(C)CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000625370085 483589938 /nfs/dbraw/zinc/58/99/38/483589938.db2.gz ITKQJZHSLPFKEZ-GOSISDBHSA-N 0 3 362.430 -0.006 20 0 FBADHN COC[C@]1(C)CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000625370086 483590281 /nfs/dbraw/zinc/59/02/81/483590281.db2.gz ITKQJZHSLPFKEZ-SFHVURJKSA-N 0 3 362.430 -0.006 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000625375574 483592331 /nfs/dbraw/zinc/59/23/31/483592331.db2.gz SWLCYJIGFXMURR-AWEZNQCLSA-N 0 3 372.491 -0.777 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000625375575 483592701 /nfs/dbraw/zinc/59/27/01/483592701.db2.gz SWLCYJIGFXMURR-CQSZACIVSA-N 0 3 372.491 -0.777 20 0 FBADHN COCCN1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000625376187 483592572 /nfs/dbraw/zinc/59/25/72/483592572.db2.gz GOOXQVHUQAQJFX-INIZCTEOSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000625376188 483592292 /nfs/dbraw/zinc/59/22/92/483592292.db2.gz GOOXQVHUQAQJFX-MRXNPFEDSA-N 0 3 352.479 -0.090 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CCO1 ZINC000625382768 483594213 /nfs/dbraw/zinc/59/42/13/483594213.db2.gz CVOJCXBMJFHZDI-AWEZNQCLSA-N 0 3 371.482 -0.811 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CCO1 ZINC000625382769 483593649 /nfs/dbraw/zinc/59/36/49/483593649.db2.gz CVOJCXBMJFHZDI-CQSZACIVSA-N 0 3 371.482 -0.811 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625384084 483594925 /nfs/dbraw/zinc/59/49/25/483594925.db2.gz QYHUFKCHLITZQP-UHFFFAOYSA-N 0 3 363.466 -0.434 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000625384703 483595727 /nfs/dbraw/zinc/59/57/27/483595727.db2.gz WWYQXVVXUHEBQY-INIZCTEOSA-N 0 3 363.462 -0.581 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000625384704 483595563 /nfs/dbraw/zinc/59/55/63/483595563.db2.gz WWYQXVVXUHEBQY-MRXNPFEDSA-N 0 3 363.462 -0.581 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000625388641 483596801 /nfs/dbraw/zinc/59/68/01/483596801.db2.gz VWBNZGMLWQPBFB-HNNXBMFYSA-N 0 3 366.462 -0.563 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000625388642 483597341 /nfs/dbraw/zinc/59/73/41/483597341.db2.gz VWBNZGMLWQPBFB-OAHLLOKOSA-N 0 3 366.462 -0.563 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625405329 483627936 /nfs/dbraw/zinc/62/79/36/483627936.db2.gz CWMUEIBRNRWGDY-AWEZNQCLSA-N 0 3 361.450 -0.680 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625405331 483627440 /nfs/dbraw/zinc/62/74/40/483627440.db2.gz CWMUEIBRNRWGDY-CQSZACIVSA-N 0 3 361.450 -0.680 20 0 FBADHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625408385 483637643 /nfs/dbraw/zinc/63/76/43/483637643.db2.gz JETVDSNTECZBSO-HNNXBMFYSA-N 0 3 370.494 -0.084 20 0 FBADHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625408386 483638427 /nfs/dbraw/zinc/63/84/27/483638427.db2.gz JETVDSNTECZBSO-OAHLLOKOSA-N 0 3 370.494 -0.084 20 0 FBADHN O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCN(c2nccnn2)CC1 ZINC000625419342 483686460 /nfs/dbraw/zinc/68/64/60/483686460.db2.gz IETZTCQDHKEIJF-HNNXBMFYSA-N 0 3 373.461 -0.393 20 0 FBADHN O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCN(c2nccnn2)CC1 ZINC000625419343 483686709 /nfs/dbraw/zinc/68/67/09/483686709.db2.gz IETZTCQDHKEIJF-OAHLLOKOSA-N 0 3 373.461 -0.393 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000625421372 483690729 /nfs/dbraw/zinc/69/07/29/483690729.db2.gz LZBBPDZQGYCNED-CYBMUJFWSA-N 0 3 355.526 -0.081 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000625421378 483690530 /nfs/dbraw/zinc/69/05/30/483690530.db2.gz LZBBPDZQGYCNED-ZDUSSCGKSA-N 0 3 355.526 -0.081 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCO1 ZINC000625425043 483691034 /nfs/dbraw/zinc/69/10/34/483691034.db2.gz YZFXAJFTSQMRCW-KBPBESRZSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCO1 ZINC000625425044 483691248 /nfs/dbraw/zinc/69/12/48/483691248.db2.gz YZFXAJFTSQMRCW-KGLIPLIRSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCO1 ZINC000625425045 483690970 /nfs/dbraw/zinc/69/09/70/483690970.db2.gz YZFXAJFTSQMRCW-UONOGXRCSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCO1 ZINC000625425046 483690859 /nfs/dbraw/zinc/69/08/59/483690859.db2.gz YZFXAJFTSQMRCW-ZIAGYGMSSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000625428063 483691571 /nfs/dbraw/zinc/69/15/71/483691571.db2.gz SZXTUSVYGHHCSP-CABCVRRESA-N 0 3 366.462 -0.434 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000625428064 483691727 /nfs/dbraw/zinc/69/17/27/483691727.db2.gz SZXTUSVYGHHCSP-GJZGRUSLSA-N 0 3 366.462 -0.434 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000625428065 483691553 /nfs/dbraw/zinc/69/15/53/483691553.db2.gz SZXTUSVYGHHCSP-HUUCEWRRSA-N 0 3 366.462 -0.434 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000625428066 483691690 /nfs/dbraw/zinc/69/16/90/483691690.db2.gz SZXTUSVYGHHCSP-LSDHHAIUSA-N 0 3 366.462 -0.434 20 0 FBADHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625438335 483693683 /nfs/dbraw/zinc/69/36/83/483693683.db2.gz OERFIDWPUXWIIF-GXTWGEPZSA-N 0 3 354.451 -0.722 20 0 FBADHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625438337 483693806 /nfs/dbraw/zinc/69/38/06/483693806.db2.gz OERFIDWPUXWIIF-JSGCOSHPSA-N 0 3 354.451 -0.722 20 0 FBADHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625438339 483693842 /nfs/dbraw/zinc/69/38/42/483693842.db2.gz OERFIDWPUXWIIF-OCCSQVGLSA-N 0 3 354.451 -0.722 20 0 FBADHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625438340 483693938 /nfs/dbraw/zinc/69/39/38/483693938.db2.gz OERFIDWPUXWIIF-TZMCWYRMSA-N 0 3 354.451 -0.722 20 0 FBADHN O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CCC[C@H]1CN1CCCC1 ZINC000625439572 483693831 /nfs/dbraw/zinc/69/38/31/483693831.db2.gz BLEMZYLYQRMQAV-HNNXBMFYSA-N 0 3 373.461 -0.393 20 0 FBADHN O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000625439573 483693694 /nfs/dbraw/zinc/69/36/94/483693694.db2.gz BLEMZYLYQRMQAV-OAHLLOKOSA-N 0 3 373.461 -0.393 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000625440426 483693712 /nfs/dbraw/zinc/69/37/12/483693712.db2.gz JISGCDHOOLAIIP-KBPBESRZSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000625440427 483693534 /nfs/dbraw/zinc/69/35/34/483693534.db2.gz JISGCDHOOLAIIP-KGLIPLIRSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000625440429 483693818 /nfs/dbraw/zinc/69/38/18/483693818.db2.gz JISGCDHOOLAIIP-UONOGXRCSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000625440432 483693767 /nfs/dbraw/zinc/69/37/67/483693767.db2.gz JISGCDHOOLAIIP-ZIAGYGMSSA-N 0 3 352.435 -0.824 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CCO1 ZINC000625445965 483700489 /nfs/dbraw/zinc/70/04/89/483700489.db2.gz JTHNCOZZMAOCFU-AWEZNQCLSA-N 0 3 369.466 -0.915 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CCO1 ZINC000625445970 483700518 /nfs/dbraw/zinc/70/05/18/483700518.db2.gz JTHNCOZZMAOCFU-CQSZACIVSA-N 0 3 369.466 -0.915 20 0 FBADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC000625446478 483700657 /nfs/dbraw/zinc/70/06/57/483700657.db2.gz NIAVIBHUTRWFBH-CYBMUJFWSA-N 0 3 354.451 -0.578 20 0 FBADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000625446480 483700873 /nfs/dbraw/zinc/70/08/73/483700873.db2.gz NIAVIBHUTRWFBH-ZDUSSCGKSA-N 0 3 354.451 -0.578 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000625446804 483701496 /nfs/dbraw/zinc/70/14/96/483701496.db2.gz TXLRIUFLIZAHPN-UHFFFAOYSA-N 0 3 361.450 -0.537 20 0 FBADHN CCn1nncc1CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000625448908 483702965 /nfs/dbraw/zinc/70/29/65/483702965.db2.gz OKDLFLWPZQDDEY-AWEZNQCLSA-N 0 3 352.439 -0.517 20 0 FBADHN CCn1nncc1CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000625448909 483702844 /nfs/dbraw/zinc/70/28/44/483702844.db2.gz OKDLFLWPZQDDEY-CQSZACIVSA-N 0 3 352.439 -0.517 20 0 FBADHN COC[C@@]1(C)CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCO1 ZINC000625449124 483702682 /nfs/dbraw/zinc/70/26/82/483702682.db2.gz SQAIIFWVJNDHQS-CRAIPNDOSA-N 0 3 371.478 -0.181 20 0 FBADHN COC[C@@]1(C)CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCO1 ZINC000625449125 483702987 /nfs/dbraw/zinc/70/29/87/483702987.db2.gz SQAIIFWVJNDHQS-MAUKXSAKSA-N 0 3 371.478 -0.181 20 0 FBADHN COC[C@]1(C)CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCO1 ZINC000625449126 483702992 /nfs/dbraw/zinc/70/29/92/483702992.db2.gz SQAIIFWVJNDHQS-QAPCUYQASA-N 0 3 371.478 -0.181 20 0 FBADHN COC[C@]1(C)CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCO1 ZINC000625449127 483702914 /nfs/dbraw/zinc/70/29/14/483702914.db2.gz SQAIIFWVJNDHQS-YJBOKZPZSA-N 0 3 371.478 -0.181 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625450006 483703201 /nfs/dbraw/zinc/70/32/01/483703201.db2.gz ROCBQRMDPGODFH-HNNXBMFYSA-N 0 3 362.478 -0.131 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625450007 483703366 /nfs/dbraw/zinc/70/33/66/483703366.db2.gz ROCBQRMDPGODFH-OAHLLOKOSA-N 0 3 362.478 -0.131 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000625450272 483703314 /nfs/dbraw/zinc/70/33/14/483703314.db2.gz MBMGDJIDOGZEFG-HNNXBMFYSA-N 0 3 366.462 -0.434 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000625450273 483703523 /nfs/dbraw/zinc/70/35/23/483703523.db2.gz MBMGDJIDOGZEFG-OAHLLOKOSA-N 0 3 366.462 -0.434 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000625452092 483705636 /nfs/dbraw/zinc/70/56/36/483705636.db2.gz SMAVFLMJEVKJEF-AWEZNQCLSA-N 0 3 366.462 -0.563 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000625452094 483705749 /nfs/dbraw/zinc/70/57/49/483705749.db2.gz SMAVFLMJEVKJEF-CQSZACIVSA-N 0 3 366.462 -0.563 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)CCO1 ZINC000625452244 483705642 /nfs/dbraw/zinc/70/56/42/483705642.db2.gz SKYVOCXTJXNCRY-KBPBESRZSA-N 0 3 352.435 -0.778 20 0 FBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)CCO1 ZINC000625452253 483705896 /nfs/dbraw/zinc/70/58/96/483705896.db2.gz SKYVOCXTJXNCRY-KGLIPLIRSA-N 0 3 352.435 -0.778 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)CCO1 ZINC000625452254 483705827 /nfs/dbraw/zinc/70/58/27/483705827.db2.gz SKYVOCXTJXNCRY-UONOGXRCSA-N 0 3 352.435 -0.778 20 0 FBADHN NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)CCO1 ZINC000625452256 483705586 /nfs/dbraw/zinc/70/55/86/483705586.db2.gz SKYVOCXTJXNCRY-ZIAGYGMSSA-N 0 3 352.435 -0.778 20 0 FBADHN O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000625455734 483707351 /nfs/dbraw/zinc/70/73/51/483707351.db2.gz RJFVUYAZZKFZIU-AWEZNQCLSA-N 0 3 359.434 -0.783 20 0 FBADHN O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000625455735 483707292 /nfs/dbraw/zinc/70/72/92/483707292.db2.gz RJFVUYAZZKFZIU-CQSZACIVSA-N 0 3 359.434 -0.783 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](CO)C2)CC1 ZINC000625455922 483707308 /nfs/dbraw/zinc/70/73/08/483707308.db2.gz RVMVZNDTZPJIDQ-HNNXBMFYSA-N 0 3 353.463 -0.069 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](CO)C2)CC1 ZINC000625455923 483707322 /nfs/dbraw/zinc/70/73/22/483707322.db2.gz RVMVZNDTZPJIDQ-OAHLLOKOSA-N 0 3 353.463 -0.069 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000625457062 483707470 /nfs/dbraw/zinc/70/74/70/483707470.db2.gz XEYHMZIFIWCEEC-CABCVRRESA-N 0 3 366.462 -0.434 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000625457063 483707202 /nfs/dbraw/zinc/70/72/02/483707202.db2.gz XEYHMZIFIWCEEC-GJZGRUSLSA-N 0 3 366.462 -0.434 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000625457064 483707385 /nfs/dbraw/zinc/70/73/85/483707385.db2.gz XEYHMZIFIWCEEC-HUUCEWRRSA-N 0 3 366.462 -0.434 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000625457066 483707314 /nfs/dbraw/zinc/70/73/14/483707314.db2.gz XEYHMZIFIWCEEC-LSDHHAIUSA-N 0 3 366.462 -0.434 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625461985 483707845 /nfs/dbraw/zinc/70/78/45/483707845.db2.gz KXJYUJFRPFQXKU-INIZCTEOSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000625462005 483708363 /nfs/dbraw/zinc/70/83/63/483708363.db2.gz KXJYUJFRPFQXKU-MRXNPFEDSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000625464079 483708545 /nfs/dbraw/zinc/70/85/45/483708545.db2.gz BQHFAYBVXIWOKH-GASCZTMLSA-N 0 3 368.478 -0.772 20 0 FBADHN CN(CC1(C)COC1)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000625464183 483708863 /nfs/dbraw/zinc/70/88/63/483708863.db2.gz DLNQVIBONMNFFK-UHFFFAOYSA-N 0 3 366.462 -0.752 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000625464760 483708535 /nfs/dbraw/zinc/70/85/35/483708535.db2.gz CAORTPANUIVBNS-MAUKXSAKSA-N 0 3 354.495 -0.441 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC2(C)COC2)CC1 ZINC000625465297 483708578 /nfs/dbraw/zinc/70/85/78/483708578.db2.gz LXENEFRMFOBGOU-UHFFFAOYSA-N 0 3 368.478 -0.506 20 0 FBADHN COC[C@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000625465539 483708900 /nfs/dbraw/zinc/70/89/00/483708900.db2.gz IBLWWEGZOFSEKS-KRWDZBQOSA-N 0 3 358.483 -0.798 20 0 FBADHN COC[C@@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000625465540 483708932 /nfs/dbraw/zinc/70/89/32/483708932.db2.gz IBLWWEGZOFSEKS-QGZVFWFLSA-N 0 3 358.483 -0.798 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)CCC(=O)NC)CC1 ZINC000625466085 483708521 /nfs/dbraw/zinc/70/85/21/483708521.db2.gz OBDBQHKLLFUMLA-UHFFFAOYSA-N 0 3 368.478 -0.316 20 0 FBADHN O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000625469208 483709516 /nfs/dbraw/zinc/70/95/16/483709516.db2.gz MTEAFOOYYZTHGZ-HNNXBMFYSA-N 0 3 373.461 -0.393 20 0 FBADHN O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000625469209 483709189 /nfs/dbraw/zinc/70/91/89/483709189.db2.gz MTEAFOOYYZTHGZ-OAHLLOKOSA-N 0 3 373.461 -0.393 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCO1 ZINC000625469340 483709716 /nfs/dbraw/zinc/70/97/16/483709716.db2.gz QRIWIPDQHFFJCO-KBPBESRZSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCO1 ZINC000625469341 483709608 /nfs/dbraw/zinc/70/96/08/483709608.db2.gz QRIWIPDQHFFJCO-KGLIPLIRSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCO1 ZINC000625469342 483709460 /nfs/dbraw/zinc/70/94/60/483709460.db2.gz QRIWIPDQHFFJCO-UONOGXRCSA-N 0 3 352.435 -0.824 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCO1 ZINC000625469343 483709647 /nfs/dbraw/zinc/70/96/47/483709647.db2.gz QRIWIPDQHFFJCO-ZIAGYGMSSA-N 0 3 352.435 -0.824 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625469727 483709175 /nfs/dbraw/zinc/70/91/75/483709175.db2.gz BEHGSZNTGQNVTP-UHFFFAOYSA-N 0 3 361.450 -0.680 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000625473707 483709240 /nfs/dbraw/zinc/70/92/40/483709240.db2.gz ZFZSHAJWHWMIRQ-UHFFFAOYSA-N 0 3 370.494 -0.212 20 0 FBADHN CCn1nncc1CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000625481933 483710578 /nfs/dbraw/zinc/71/05/78/483710578.db2.gz CBIZOADQIZLEGO-AWEZNQCLSA-N 0 3 363.466 -0.847 20 0 FBADHN CCn1nncc1CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000625481934 483710539 /nfs/dbraw/zinc/71/05/39/483710539.db2.gz CBIZOADQIZLEGO-CQSZACIVSA-N 0 3 363.466 -0.847 20 0 FBADHN CN(CC1(C)COC1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000625481941 483710984 /nfs/dbraw/zinc/71/09/84/483710984.db2.gz CLHCLMCXCNDBNH-HNNXBMFYSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(CC1(C)COC1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000625481942 483710992 /nfs/dbraw/zinc/71/09/92/483710992.db2.gz CLHCLMCXCNDBNH-OAHLLOKOSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000625482176 483711096 /nfs/dbraw/zinc/71/10/96/483711096.db2.gz DJBHHKWNFPHFFN-HRCADAONSA-N 0 3 352.479 -0.546 20 0 FBADHN CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000625482177 483710782 /nfs/dbraw/zinc/71/07/82/483710782.db2.gz DJBHHKWNFPHFFN-OAGGEKHMSA-N 0 3 352.479 -0.546 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCO[C@@H](CCF)C3)CC2)C1 ZINC000625483654 483710601 /nfs/dbraw/zinc/71/06/01/483710601.db2.gz SUYYEEHYVQDUOV-CVEARBPZSA-N 0 3 370.469 -0.188 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCO[C@@H](CCF)C3)CC2)C1 ZINC000625483663 483711061 /nfs/dbraw/zinc/71/10/61/483711061.db2.gz SUYYEEHYVQDUOV-HOTGVXAUSA-N 0 3 370.469 -0.188 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCO[C@H](CCF)C3)CC2)C1 ZINC000625483664 483711071 /nfs/dbraw/zinc/71/10/71/483711071.db2.gz SUYYEEHYVQDUOV-HZPDHXFCSA-N 0 3 370.469 -0.188 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCO[C@H](CCF)C3)CC2)C1 ZINC000625483667 483710609 /nfs/dbraw/zinc/71/06/09/483710609.db2.gz SUYYEEHYVQDUOV-JKSUJKDBSA-N 0 3 370.469 -0.188 20 0 FBADHN COC[C@@]1(C)CN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)CCO1 ZINC000625484084 483710817 /nfs/dbraw/zinc/71/08/17/483710817.db2.gz UNPCPPDINRQOIK-GOSISDBHSA-N 0 3 371.478 -0.181 20 0 FBADHN COC[C@]1(C)CN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)CCO1 ZINC000625484085 483710921 /nfs/dbraw/zinc/71/09/21/483710921.db2.gz UNPCPPDINRQOIK-SFHVURJKSA-N 0 3 371.478 -0.181 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000625488201 483711825 /nfs/dbraw/zinc/71/18/25/483711825.db2.gz FPPIDSIAELMYPG-QFBILLFUSA-N 0 3 366.506 -0.297 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCO[C@@H](CCF)C1 ZINC000625488220 483712029 /nfs/dbraw/zinc/71/20/29/483712029.db2.gz GFRVDUJOVWGFBR-HNNXBMFYSA-N 0 3 358.458 -0.331 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000625488221 483712071 /nfs/dbraw/zinc/71/20/71/483712071.db2.gz GFRVDUJOVWGFBR-OAHLLOKOSA-N 0 3 358.458 -0.331 20 0 FBADHN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000625488659 483711975 /nfs/dbraw/zinc/71/19/75/483711975.db2.gz HFHXSZPCERINAA-KBPBESRZSA-N 0 3 372.491 -0.601 20 0 FBADHN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000625488660 483711819 /nfs/dbraw/zinc/71/18/19/483711819.db2.gz HFHXSZPCERINAA-KGLIPLIRSA-N 0 3 372.491 -0.601 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000625488661 483711924 /nfs/dbraw/zinc/71/19/24/483711924.db2.gz HFHXSZPCERINAA-UONOGXRCSA-N 0 3 372.491 -0.601 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000625488662 483712022 /nfs/dbraw/zinc/71/20/22/483712022.db2.gz HFHXSZPCERINAA-ZIAGYGMSSA-N 0 3 372.491 -0.601 20 0 FBADHN COC[C@@]1(C)CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCO1 ZINC000625488943 483712062 /nfs/dbraw/zinc/71/20/62/483712062.db2.gz JSQHLJPBCJOYDJ-GOSISDBHSA-N 0 3 370.494 -0.654 20 0 FBADHN COC[C@]1(C)CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCO1 ZINC000625488944 483712045 /nfs/dbraw/zinc/71/20/45/483712045.db2.gz JSQHLJPBCJOYDJ-SFHVURJKSA-N 0 3 370.494 -0.654 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000625490453 483712383 /nfs/dbraw/zinc/71/23/83/483712383.db2.gz XUEWBYXCFQCDSB-CHWSQXEVSA-N 0 3 358.464 -0.991 20 0 FBADHN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000625490454 483712827 /nfs/dbraw/zinc/71/28/27/483712827.db2.gz XUEWBYXCFQCDSB-OLZOCXBDSA-N 0 3 358.464 -0.991 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000625490455 483712836 /nfs/dbraw/zinc/71/28/36/483712836.db2.gz XUEWBYXCFQCDSB-QWHCGFSZSA-N 0 3 358.464 -0.991 20 0 FBADHN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000625490456 483712892 /nfs/dbraw/zinc/71/28/92/483712892.db2.gz XUEWBYXCFQCDSB-STQMWFEESA-N 0 3 358.464 -0.991 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CCO1 ZINC000625504113 483714186 /nfs/dbraw/zinc/71/41/86/483714186.db2.gz QJNASVVSKSLMPY-CVEARBPZSA-N 0 3 366.462 -0.517 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CCO1 ZINC000625504114 483714291 /nfs/dbraw/zinc/71/42/91/483714291.db2.gz QJNASVVSKSLMPY-HOTGVXAUSA-N 0 3 366.462 -0.517 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CCO1 ZINC000625504115 483714068 /nfs/dbraw/zinc/71/40/68/483714068.db2.gz QJNASVVSKSLMPY-HZPDHXFCSA-N 0 3 366.462 -0.517 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CCO1 ZINC000625504116 483714262 /nfs/dbraw/zinc/71/42/62/483714262.db2.gz QJNASVVSKSLMPY-JKSUJKDBSA-N 0 3 366.462 -0.517 20 0 FBADHN O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000625508693 483716954 /nfs/dbraw/zinc/71/69/54/483716954.db2.gz FTCOLHKEMOUDSZ-CVEARBPZSA-N 0 3 350.463 -0.338 20 0 FBADHN O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000625508694 483717053 /nfs/dbraw/zinc/71/70/53/483717053.db2.gz FTCOLHKEMOUDSZ-HOTGVXAUSA-N 0 3 350.463 -0.338 20 0 FBADHN O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000625508695 483717063 /nfs/dbraw/zinc/71/70/63/483717063.db2.gz FTCOLHKEMOUDSZ-HZPDHXFCSA-N 0 3 350.463 -0.338 20 0 FBADHN O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000625508696 483716750 /nfs/dbraw/zinc/71/67/50/483716750.db2.gz FTCOLHKEMOUDSZ-JKSUJKDBSA-N 0 3 350.463 -0.338 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1COCCN1C ZINC000625515408 483717459 /nfs/dbraw/zinc/71/74/59/483717459.db2.gz CLWVQZWHXWXIGD-AWEZNQCLSA-N 0 3 359.496 -0.330 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1COCCN1C ZINC000625515409 483717513 /nfs/dbraw/zinc/71/75/13/483717513.db2.gz CLWVQZWHXWXIGD-CQSZACIVSA-N 0 3 359.496 -0.330 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625521702 483718668 /nfs/dbraw/zinc/71/86/68/483718668.db2.gz OAHCSNKYWJITHE-AWEZNQCLSA-N 0 3 366.418 -0.727 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625521710 483718679 /nfs/dbraw/zinc/71/86/79/483718679.db2.gz OAHCSNKYWJITHE-CQSZACIVSA-N 0 3 366.418 -0.727 20 0 FBADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625524293 483719026 /nfs/dbraw/zinc/71/90/26/483719026.db2.gz CGRRVXXVWLNHOC-KBPBESRZSA-N 0 3 361.450 -0.681 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625524294 483719138 /nfs/dbraw/zinc/71/91/38/483719138.db2.gz CGRRVXXVWLNHOC-KGLIPLIRSA-N 0 3 361.450 -0.681 20 0 FBADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625524295 483719204 /nfs/dbraw/zinc/71/92/04/483719204.db2.gz CGRRVXXVWLNHOC-UONOGXRCSA-N 0 3 361.450 -0.681 20 0 FBADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625524296 483719114 /nfs/dbraw/zinc/71/91/14/483719114.db2.gz CGRRVXXVWLNHOC-ZIAGYGMSSA-N 0 3 361.450 -0.681 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000625525444 483718621 /nfs/dbraw/zinc/71/86/21/483718621.db2.gz HKPPAEKVEJGVQA-OKILXGFUSA-N 0 3 362.430 -0.032 20 0 FBADHN CCn1nncc1CNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000625526164 483718708 /nfs/dbraw/zinc/71/87/08/483718708.db2.gz PHOTUGKQSGCOCG-UHFFFAOYSA-N 0 3 373.417 -0.333 20 0 FBADHN CN1CCC2(CCCN2C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000625528187 483719358 /nfs/dbraw/zinc/71/93/58/483719358.db2.gz DXYZQEGCJAYMNL-UHFFFAOYSA-N 0 3 373.461 -0.393 20 0 FBADHN CN1CCC2(CCCN2C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC000625528904 483719151 /nfs/dbraw/zinc/71/91/51/483719151.db2.gz YCILLTXXTHDCAH-CYBMUJFWSA-N 0 3 352.435 -0.824 20 0 FBADHN CN1CCC2(CCCN2C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000625528905 483718997 /nfs/dbraw/zinc/71/89/97/483718997.db2.gz YCILLTXXTHDCAH-ZDUSSCGKSA-N 0 3 352.435 -0.824 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CCO1 ZINC000625529123 483719263 /nfs/dbraw/zinc/71/92/63/483719263.db2.gz QGIXVXABYWOLII-BFHYXJOUSA-N 0 3 369.466 -0.916 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CCO1 ZINC000625529124 483719316 /nfs/dbraw/zinc/71/93/16/483719316.db2.gz QGIXVXABYWOLII-HZSPNIEDSA-N 0 3 369.466 -0.916 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CCO1 ZINC000625529125 483719087 /nfs/dbraw/zinc/71/90/87/483719087.db2.gz QGIXVXABYWOLII-MELADBBJSA-N 0 3 369.466 -0.916 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CCO1 ZINC000625529126 483719293 /nfs/dbraw/zinc/71/92/93/483719293.db2.gz QGIXVXABYWOLII-MGPQQGTHSA-N 0 3 369.466 -0.916 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCN1C ZINC000625529521 483719213 /nfs/dbraw/zinc/71/92/13/483719213.db2.gz ZKWDEBWTUIUFSH-KBPBESRZSA-N 0 3 361.450 -0.539 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCN1C ZINC000625529522 483719285 /nfs/dbraw/zinc/71/92/85/483719285.db2.gz ZKWDEBWTUIUFSH-KGLIPLIRSA-N 0 3 361.450 -0.539 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCN1C ZINC000625529523 483719227 /nfs/dbraw/zinc/71/92/27/483719227.db2.gz ZKWDEBWTUIUFSH-UONOGXRCSA-N 0 3 361.450 -0.539 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3nccnn3)CC2)CCN1C ZINC000625529524 483719798 /nfs/dbraw/zinc/71/97/98/483719798.db2.gz ZKWDEBWTUIUFSH-ZIAGYGMSSA-N 0 3 361.450 -0.539 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625532623 483719940 /nfs/dbraw/zinc/71/99/40/483719940.db2.gz CYVNCHIOYZVNSU-AWEZNQCLSA-N 0 3 356.467 -0.330 20 0 FBADHN CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625532624 483719846 /nfs/dbraw/zinc/71/98/46/483719846.db2.gz CYVNCHIOYZVNSU-CQSZACIVSA-N 0 3 356.467 -0.330 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(N3CCOCC3)CC2)CC1 ZINC000625552216 660481750 /nfs/dbraw/zinc/48/17/50/660481750.db2.gz MISHYLGVYBDWDF-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(N3CCOCC3)CC2)CC1 ZINC000625552217 660481969 /nfs/dbraw/zinc/48/19/69/660481969.db2.gz MISHYLGVYBDWDF-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(N2CCOCC2)CC1 ZINC000625553196 483731668 /nfs/dbraw/zinc/73/16/68/483731668.db2.gz PIQXKISOAYVSOB-CABCVRRESA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(N2CCOCC2)CC1 ZINC000625553198 483731776 /nfs/dbraw/zinc/73/17/76/483731776.db2.gz PIQXKISOAYVSOB-GJZGRUSLSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(N2CCOCC2)CC1 ZINC000625553205 483731808 /nfs/dbraw/zinc/73/18/08/483731808.db2.gz PIQXKISOAYVSOB-HUUCEWRRSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(N2CCOCC2)CC1 ZINC000625553207 483731712 /nfs/dbraw/zinc/73/17/12/483731712.db2.gz PIQXKISOAYVSOB-LSDHHAIUSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@@H](CNC(=O)c1ccnc(N2CCOCC2)n1)CN1CCN(C)CC1 ZINC000625561968 483732070 /nfs/dbraw/zinc/73/20/70/483732070.db2.gz CYTXKIQBDFMTOD-HNNXBMFYSA-N 0 3 362.478 -0.074 20 0 FBADHN C[C@H](CNC(=O)c1ccnc(N2CCOCC2)n1)CN1CCN(C)CC1 ZINC000625561971 483731914 /nfs/dbraw/zinc/73/19/14/483731914.db2.gz CYTXKIQBDFMTOD-OAHLLOKOSA-N 0 3 362.478 -0.074 20 0 FBADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000625564705 483732311 /nfs/dbraw/zinc/73/23/11/483732311.db2.gz XDMQTXSAXSABOH-CABCVRRESA-N 0 3 362.478 -0.227 20 0 FBADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000625564722 483732348 /nfs/dbraw/zinc/73/23/48/483732348.db2.gz XDMQTXSAXSABOH-GJZGRUSLSA-N 0 3 362.478 -0.227 20 0 FBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000625564723 483731992 /nfs/dbraw/zinc/73/19/92/483731992.db2.gz XDMQTXSAXSABOH-HUUCEWRRSA-N 0 3 362.478 -0.227 20 0 FBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000625564724 483731983 /nfs/dbraw/zinc/73/19/83/483731983.db2.gz XDMQTXSAXSABOH-LSDHHAIUSA-N 0 3 362.478 -0.227 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)CCOCCO)CC1 ZINC000625565646 483732557 /nfs/dbraw/zinc/73/25/57/483732557.db2.gz FUJKKORXXAQBBZ-UHFFFAOYSA-N 0 3 371.478 -0.443 20 0 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/nfs/dbraw/zinc/85/91/45/483859145.db2.gz JKVZDVADHKFTJS-DTWKUNHWSA-N 0 3 358.328 -0.108 20 0 FBADHN NC[C@H](NC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1)C(F)(F)F ZINC000625899092 483858892 /nfs/dbraw/zinc/85/88/92/483858892.db2.gz JKVZDVADHKFTJS-IUCAKERBSA-N 0 3 358.328 -0.108 20 0 FBADHN NC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1)C(F)(F)F ZINC000625899093 483858976 /nfs/dbraw/zinc/85/89/76/483858976.db2.gz JKVZDVADHKFTJS-RKDXNWHRSA-N 0 3 358.328 -0.108 20 0 FBADHN CN1C(=O)CN(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000625926949 483860404 /nfs/dbraw/zinc/86/04/04/483860404.db2.gz XSLOIJSINDJZFV-GOSISDBHSA-N 0 3 360.414 -0.366 20 0 FBADHN CN1C(=O)CN(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000625926950 483860459 /nfs/dbraw/zinc/86/04/59/483860459.db2.gz XSLOIJSINDJZFV-SFHVURJKSA-N 0 3 360.414 -0.366 20 0 FBADHN Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000625933780 483860420 /nfs/dbraw/zinc/86/04/20/483860420.db2.gz PGWLMXKOQRPWIM-UHFFFAOYSA-N 0 3 359.423 -0.032 20 0 FBADHN 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NC(=O)C[C@H]1CN(CCCCCN2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC000626078576 483873121 /nfs/dbraw/zinc/87/31/21/483873121.db2.gz KIBPYVARXPDEDG-GJZGRUSLSA-N 0 3 356.467 -0.691 20 0 FBADHN NC(=O)C[C@@H]1CN(CCCCCN2CCO[C@H](CC(N)=O)C2)CCO1 ZINC000626078577 483873095 /nfs/dbraw/zinc/87/30/95/483873095.db2.gz KIBPYVARXPDEDG-HUUCEWRRSA-N 0 3 356.467 -0.691 20 0 FBADHN CN1C(=O)CN(CC(=O)N2CC[C@H](OCCN3CCCCC3)C2)C1=O ZINC000626090974 483874963 /nfs/dbraw/zinc/87/49/63/483874963.db2.gz ANADUUYEKGCJJZ-AWEZNQCLSA-N 0 3 352.435 -0.016 20 0 FBADHN CN1C(=O)CN(CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)C1=O ZINC000626090975 483874784 /nfs/dbraw/zinc/87/47/84/483874784.db2.gz ANADUUYEKGCJJZ-CQSZACIVSA-N 0 3 352.435 -0.016 20 0 FBADHN CC(C)N1CCN(CCCN2CCOC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000626097200 483875666 /nfs/dbraw/zinc/87/56/66/483875666.db2.gz NEJSAFXNLSIAQV-INIZCTEOSA-N 0 3 362.540 -0.348 20 0 FBADHN CC(C)N1CCN(CCCN2CCOC[C@H]2CNS(C)(=O)=O)CC1 ZINC000626097201 483875681 /nfs/dbraw/zinc/87/56/81/483875681.db2.gz 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CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000626168195 484301979 /nfs/dbraw/zinc/30/19/79/484301979.db2.gz MHOHSXLPXKMQJS-UONOGXRCSA-N 0 3 367.537 -0.081 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000626168196 484301674 /nfs/dbraw/zinc/30/16/74/484301674.db2.gz MHOHSXLPXKMQJS-ZIAGYGMSSA-N 0 3 367.537 -0.081 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000626169155 484331139 /nfs/dbraw/zinc/33/11/39/484331139.db2.gz GXPMVEFGPKZRLV-AWEZNQCLSA-N 0 3 372.535 -0.009 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000626169156 484332070 /nfs/dbraw/zinc/33/20/70/484332070.db2.gz GXPMVEFGPKZRLV-CQSZACIVSA-N 0 3 372.535 -0.009 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000626169181 484330609 /nfs/dbraw/zinc/33/06/09/484330609.db2.gz HKGGCIBQTXRZQB-GFCCVEGCSA-N 0 3 360.480 -0.032 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN(CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000626169182 484331749 /nfs/dbraw/zinc/33/17/49/484331749.db2.gz HKGGCIBQTXRZQB-LBPRGKRZSA-N 0 3 360.480 -0.032 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000626170017 484331590 /nfs/dbraw/zinc/33/15/90/484331590.db2.gz XLXLWZVASCOSOB-ILXRZTDVSA-N 0 3 350.481 -0.196 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000626170018 484330838 /nfs/dbraw/zinc/33/08/38/484330838.db2.gz XLXLWZVASCOSOB-KFWWJZLASA-N 0 3 350.481 -0.196 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000626170019 484331103 /nfs/dbraw/zinc/33/11/03/484331103.db2.gz XLXLWZVASCOSOB-QLFBSQMISA-N 0 3 350.481 -0.196 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000626170020 484331284 /nfs/dbraw/zinc/33/12/84/484331284.db2.gz XLXLWZVASCOSOB-RBSFLKMASA-N 0 3 350.481 -0.196 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC000626171202 484376108 /nfs/dbraw/zinc/37/61/08/484376108.db2.gz WLNROWRAMHDJKZ-AWEZNQCLSA-N 0 3 360.524 -0.152 20 0 FBADHN CCN1CCC(NC(=O)CN2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC000626171203 484375917 /nfs/dbraw/zinc/37/59/17/484375917.db2.gz WLNROWRAMHDJKZ-CQSZACIVSA-N 0 3 360.524 -0.152 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)NC[C@@](C)(O)CN(C)C)[C@H]1c1nccn1C ZINC000626248521 483835677 /nfs/dbraw/zinc/83/56/77/483835677.db2.gz OZDSCGWNDORDJQ-GRDNDAEWSA-N 0 3 367.450 -0.863 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)NC[C@](C)(O)CN(C)C)[C@H]1c1nccn1C ZINC000626248522 483835918 /nfs/dbraw/zinc/83/59/18/483835918.db2.gz OZDSCGWNDORDJQ-ZQIUZPCESA-N 0 3 367.450 -0.863 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C(=O)NCCN(C)C ZINC000626284978 484209852 /nfs/dbraw/zinc/20/98/52/484209852.db2.gz OXMXATFBHFRISW-LBPRGKRZSA-N 0 3 355.439 -0.911 20 0 FBADHN CN1C(=O)CN(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000626290917 484220189 /nfs/dbraw/zinc/22/01/89/484220189.db2.gz JZURIKQPCWNDNP-CVEARBPZSA-N 0 3 374.441 -0.120 20 0 FBADHN CN1C(=O)CN(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1=O ZINC000626290918 484219299 /nfs/dbraw/zinc/21/92/99/484219299.db2.gz JZURIKQPCWNDNP-HOTGVXAUSA-N 0 3 374.441 -0.120 20 0 FBADHN CN1C(=O)CN(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000626290919 484220061 /nfs/dbraw/zinc/22/00/61/484220061.db2.gz JZURIKQPCWNDNP-HZPDHXFCSA-N 0 3 374.441 -0.120 20 0 FBADHN CN1C(=O)CN(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1=O ZINC000626290920 484220646 /nfs/dbraw/zinc/22/06/46/484220646.db2.gz JZURIKQPCWNDNP-JKSUJKDBSA-N 0 3 374.441 -0.120 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)NCCOCCN(C)C)[C@H]1c1nccn1C ZINC000626374904 484258407 /nfs/dbraw/zinc/25/84/07/484258407.db2.gz RQHTWNMQLLMUIX-GJZGRUSLSA-N 0 3 367.450 -0.597 20 0 FBADHN CN(C)CCn1ccc(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)n1 ZINC000626404358 483757810 /nfs/dbraw/zinc/75/78/10/483757810.db2.gz BPTTXFSFVSEADD-UHFFFAOYSA-N 0 3 359.456 -0.943 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)n1 ZINC000626405335 483757748 /nfs/dbraw/zinc/75/77/48/483757748.db2.gz JJKIPOKSBLTQAH-GFCCVEGCSA-N 0 3 374.467 -0.773 20 0 FBADHN 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485184632 /nfs/dbraw/zinc/18/46/32/485184632.db2.gz ZKTYWIPFYCVSMW-NSHDSACASA-N 0 3 367.427 -0.247 20 0 FBADHN Cc1c(N)cccc1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000626818202 485185425 /nfs/dbraw/zinc/18/54/25/485185425.db2.gz BDIARAGRWRMSDO-UHFFFAOYSA-N 0 3 352.435 -0.085 20 0 FBADHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000626819020 485186163 /nfs/dbraw/zinc/18/61/63/485186163.db2.gz XQGNGUSLKOCXJP-KGLIPLIRSA-N 0 3 358.398 -0.013 20 0 FBADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626820202 485186103 /nfs/dbraw/zinc/18/61/03/485186103.db2.gz VWVUMOSORGHUDV-NEPJUHHUSA-N 0 3 351.403 -0.303 20 0 FBADHN C[C@@H](O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCNC2)[C@@H](C)CO ZINC000626820203 485185858 /nfs/dbraw/zinc/18/58/58/485185858.db2.gz VWVUMOSORGHUDV-NWDGAFQWSA-N 0 3 351.403 -0.303 20 0 FBADHN C[C@H](O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCNC2)[C@@H](C)CO ZINC000626820204 485186351 /nfs/dbraw/zinc/18/63/51/485186351.db2.gz VWVUMOSORGHUDV-RYUDHWBXSA-N 0 3 351.403 -0.303 20 0 FBADHN C[C@@H](O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCNC2)[C@H](C)CO ZINC000626820205 485186460 /nfs/dbraw/zinc/18/64/60/485186460.db2.gz VWVUMOSORGHUDV-VXGBXAGGSA-N 0 3 351.403 -0.303 20 0 FBADHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000626821861 485187620 /nfs/dbraw/zinc/18/76/20/485187620.db2.gz QBHRULRMOOZHDV-GOSISDBHSA-N 0 3 358.398 -0.154 20 0 FBADHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000626821862 485187333 /nfs/dbraw/zinc/18/73/33/485187333.db2.gz QBHRULRMOOZHDV-SFHVURJKSA-N 0 3 358.398 -0.154 20 0 FBADHN O=C(CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)NCC(F)F ZINC000626822510 485187411 /nfs/dbraw/zinc/18/74/11/485187411.db2.gz NTRRJGIUHYJTKV-UHFFFAOYSA-N 0 3 356.329 -0.395 20 0 FBADHN CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626822996 485188317 /nfs/dbraw/zinc/18/83/17/485188317.db2.gz KQZWWWQHDDXNFJ-CYBMUJFWSA-N 0 3 367.427 -0.247 20 0 FBADHN CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626822997 485188336 /nfs/dbraw/zinc/18/83/36/485188336.db2.gz KQZWWWQHDDXNFJ-ZDUSSCGKSA-N 0 3 367.427 -0.247 20 0 FBADHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000626823148 485189498 /nfs/dbraw/zinc/18/94/98/485189498.db2.gz SYKRRQDURBQOEK-ZIAGYGMSSA-N 0 3 358.398 -0.156 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C(=O)NCCF ZINC000626823186 485189132 /nfs/dbraw/zinc/18/91/32/485189132.db2.gz WAMDFTIHFNIBOR-JTQLQIEISA-N 0 3 352.366 -0.303 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C(=O)NCCF ZINC000626823187 485188823 /nfs/dbraw/zinc/18/88/23/485188823.db2.gz WAMDFTIHFNIBOR-SNVBAGLBSA-N 0 3 352.366 -0.303 20 0 FBADHN CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626823289 485189031 /nfs/dbraw/zinc/18/90/31/485189031.db2.gz YKLISJPFYDRDDC-UHFFFAOYSA-N 0 3 351.403 -0.036 20 0 FBADHN COCCN1CN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CC1=O ZINC000626824447 485189157 /nfs/dbraw/zinc/18/91/57/485189157.db2.gz YVUDCLICZGYYHN-UHFFFAOYSA-N 0 3 362.386 -0.618 20 0 FBADHN CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626825659 485190599 /nfs/dbraw/zinc/19/05/99/485190599.db2.gz IIJPMUYPDUACQT-UHFFFAOYSA-N 0 3 370.431 -0.885 20 0 FBADHN COC[C@]1(CO)CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626827896 485192767 /nfs/dbraw/zinc/19/27/67/485192767.db2.gz BLOFSSKYOGTMTN-GOSISDBHSA-N 0 3 363.414 -0.036 20 0 FBADHN COC[C@@]1(CO)CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000626827897 485192653 /nfs/dbraw/zinc/19/26/53/485192653.db2.gz BLOFSSKYOGTMTN-SFHVURJKSA-N 0 3 363.414 -0.036 20 0 FBADHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000626828406 485192354 /nfs/dbraw/zinc/19/23/54/485192354.db2.gz XMCJTJMTEHFHIP-KBPBESRZSA-N 0 3 374.397 -0.777 20 0 FBADHN COCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NC(C)(C)CN)c1 ZINC000626830601 485196716 /nfs/dbraw/zinc/19/67/16/485196716.db2.gz FWZSEOWVWBIQHD-UHFFFAOYSA-N 0 3 372.447 -0.597 20 0 FBADHN COCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H](C)CN)c1 ZINC000626831401 485198091 /nfs/dbraw/zinc/19/80/91/485198091.db2.gz BDPPUWRGXWKAQT-LLVKDONJSA-N 0 3 372.447 -0.645 20 0 FBADHN COCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H](C)CN)c1 ZINC000626831402 485198032 /nfs/dbraw/zinc/19/80/32/485198032.db2.gz BDPPUWRGXWKAQT-NSHDSACASA-N 0 3 372.447 -0.645 20 0 FBADHN CNC(=O)c1ccc(NC(=O)C(=O)NCCNCCOC)c(OC)c1 ZINC000626833945 485209402 /nfs/dbraw/zinc/20/94/02/485209402.db2.gz BURBYTPHKUOBOC-UHFFFAOYSA-N 0 3 352.391 -0.655 20 0 FBADHN CC(C)n1nnnc1-c1cccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000626839527 485234875 /nfs/dbraw/zinc/23/48/75/485234875.db2.gz LLNRCWJRNIASOK-AWEZNQCLSA-N 0 3 373.417 -0.036 20 0 FBADHN CC(C)n1nnnc1-c1cccc(NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000626839528 485235200 /nfs/dbraw/zinc/23/52/00/485235200.db2.gz LLNRCWJRNIASOK-CQSZACIVSA-N 0 3 373.417 -0.036 20 0 FBADHN CNC(=O)c1ccc(NC(=O)C(=O)N2CCOC3(CNC3)C2)c(OC)c1 ZINC000626839900 485235062 /nfs/dbraw/zinc/23/50/62/485235062.db2.gz XQEUITLPLBDIAL-UHFFFAOYSA-N 0 3 362.386 -0.806 20 0 FBADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000626840178 485234592 /nfs/dbraw/zinc/23/45/92/485234592.db2.gz YTNQDFPZVNPWOK-HNNXBMFYSA-N 0 3 373.413 -0.017 20 0 FBADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000626840179 485234798 /nfs/dbraw/zinc/23/47/98/485234798.db2.gz YTNQDFPZVNPWOK-OAHLLOKOSA-N 0 3 373.413 -0.017 20 0 FBADHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000626841459 485240433 /nfs/dbraw/zinc/24/04/33/485240433.db2.gz PSHRDOUVTZTCDL-LSDHHAIUSA-N 0 3 360.414 -0.616 20 0 FBADHN O=C(Nc1cccc2c1CCNC2)C(=O)N1CCN(c2nccnn2)CC1 ZINC000626842506 485243083 /nfs/dbraw/zinc/24/30/83/485243083.db2.gz BOUOOKXCIUPEFO-UHFFFAOYSA-N 0 3 367.413 -0.195 20 0 FBADHN O=C(Nc1ccc2c(c1)CNCC2)C(=O)N1CCN(c2nccnn2)CC1 ZINC000626842512 485242352 /nfs/dbraw/zinc/24/23/52/485242352.db2.gz BSVUZMRDMQYPIV-UHFFFAOYSA-N 0 3 367.413 -0.195 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000626842513 485243667 /nfs/dbraw/zinc/24/36/67/485243667.db2.gz BTFKPMGDRPZGRT-UHFFFAOYSA-N 0 3 355.402 -0.122 20 0 FBADHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCN(c2nccnn2)CC1 ZINC000626843076 485246802 /nfs/dbraw/zinc/24/68/02/485246802.db2.gz IHRGXPYFSGQBQF-UHFFFAOYSA-N 0 3 353.386 -0.238 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000626843085 485246634 /nfs/dbraw/zinc/24/66/34/485246634.db2.gz IQRKEMWMTIUZPP-UHFFFAOYSA-N 0 3 355.402 -0.122 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000626843450 485249291 /nfs/dbraw/zinc/24/92/91/485249291.db2.gz OUMQTMHLMSREPJ-UHFFFAOYSA-N 0 3 355.402 -0.074 20 0 FBADHN NCc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000626848002 485268996 /nfs/dbraw/zinc/26/89/96/485268996.db2.gz BWVAHGLUVSHNBE-UHFFFAOYSA-N 0 3 366.443 -0.280 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)CCO1 ZINC000626848079 485269026 /nfs/dbraw/zinc/26/90/26/485269026.db2.gz GMIGNJFPYNTVAM-AWEZNQCLSA-N 0 3 363.418 -0.451 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)CCO1 ZINC000626848080 485268861 /nfs/dbraw/zinc/26/88/61/485268861.db2.gz GMIGNJFPYNTVAM-CQSZACIVSA-N 0 3 363.418 -0.451 20 0 FBADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000626848170 485268912 /nfs/dbraw/zinc/26/89/12/485268912.db2.gz JVRKLHVEMAXGPU-INIZCTEOSA-N 0 3 373.457 -0.273 20 0 FBADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000626848182 485269069 /nfs/dbraw/zinc/26/90/69/485269069.db2.gz KBZRVQFEPZPRHE-INIZCTEOSA-N 0 3 373.457 -0.273 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CCO1 ZINC000626848275 485269557 /nfs/dbraw/zinc/26/95/57/485269557.db2.gz MTUAYQPUYUXYRO-AWEZNQCLSA-N 0 3 361.402 -0.615 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CCO1 ZINC000626848278 485269597 /nfs/dbraw/zinc/26/95/97/485269597.db2.gz MTUAYQPUYUXYRO-CQSZACIVSA-N 0 3 361.402 -0.615 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000626848620 485270500 /nfs/dbraw/zinc/27/05/00/485270500.db2.gz SRSJIECZTLNOFI-CYBMUJFWSA-N 0 3 363.418 -0.499 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000626848621 485269889 /nfs/dbraw/zinc/26/98/89/485269889.db2.gz SRSJIECZTLNOFI-ZDUSSCGKSA-N 0 3 363.418 -0.499 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N2CCO[C@@H](CNC(=O)NC)C2)c1 ZINC000626848766 485269775 /nfs/dbraw/zinc/26/97/75/485269775.db2.gz VEFATZNHSXTAES-AWEZNQCLSA-N 0 3 363.418 -0.499 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)c1 ZINC000626848767 485269570 /nfs/dbraw/zinc/26/95/70/485269570.db2.gz VEFATZNHSXTAES-CQSZACIVSA-N 0 3 363.418 -0.499 20 0 FBADHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626852326 485277704 /nfs/dbraw/zinc/27/77/04/485277704.db2.gz CTUWJCDMHMBVIN-APPDUMDISA-N 0 3 360.418 -0.492 20 0 FBADHN CC1(C)OC[C@H]2C[C@]21NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626852327 485277275 /nfs/dbraw/zinc/27/72/75/485277275.db2.gz CTUWJCDMHMBVIN-DIFFPNOSSA-N 0 3 360.418 -0.492 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 ZINC000626852452 485276819 /nfs/dbraw/zinc/27/68/19/485276819.db2.gz HGCVOLBQXOHUML-UHFFFAOYSA-N 0 3 372.447 -0.643 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC000626852506 485276915 /nfs/dbraw/zinc/27/69/15/485276915.db2.gz JKQQAOSRQYCCOE-UHFFFAOYSA-N 0 3 356.448 -0.009 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000626852794 485276380 /nfs/dbraw/zinc/27/63/80/485276380.db2.gz UWRBODWFIPCPLJ-UHFFFAOYSA-N 0 3 368.459 -0.032 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC ZINC000626852842 485276879 /nfs/dbraw/zinc/27/68/79/485276879.db2.gz WBMYTBMFPCNTIC-UHFFFAOYSA-N 0 3 372.447 -0.510 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000626852853 485276693 /nfs/dbraw/zinc/27/66/93/485276693.db2.gz WJXCGBYJKUJBAN-UHFFFAOYSA-N 0 3 360.411 -0.178 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000626852917 485278010 /nfs/dbraw/zinc/27/80/10/485278010.db2.gz FQULVWBANCUYQO-UHFFFAOYSA-N 0 3 354.432 -0.246 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC ZINC000626852991 485277363 /nfs/dbraw/zinc/27/73/63/485277363.db2.gz ZMRHKGZEZXHAED-UHFFFAOYSA-N 0 3 358.420 -0.188 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000626852994 485277258 /nfs/dbraw/zinc/27/72/58/485277258.db2.gz ZQRSKYZSDHFRGH-KBPBESRZSA-N 0 3 374.441 -0.171 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000626852995 485277749 /nfs/dbraw/zinc/27/77/49/485277749.db2.gz ZQRSKYZSDHFRGH-KGLIPLIRSA-N 0 3 374.441 -0.171 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000626852996 485277843 /nfs/dbraw/zinc/27/78/43/485277843.db2.gz ZQRSKYZSDHFRGH-UONOGXRCSA-N 0 3 374.441 -0.171 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000626852997 485277914 /nfs/dbraw/zinc/27/79/14/485277914.db2.gz ZQRSKYZSDHFRGH-ZIAGYGMSSA-N 0 3 374.441 -0.171 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000626853152 485277210 /nfs/dbraw/zinc/27/72/10/485277210.db2.gz NYWPXCJZLXZDLL-UHFFFAOYSA-N 0 3 369.447 -0.388 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 ZINC000626853275 485277986 /nfs/dbraw/zinc/27/79/86/485277986.db2.gz SZMUSIDCOHDTBK-UHFFFAOYSA-N 0 3 357.432 -0.148 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000626853300 485277248 /nfs/dbraw/zinc/27/72/48/485277248.db2.gz UTHZZTOOEVTSQL-UHFFFAOYSA-N 0 3 354.432 -0.127 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000626853436 485277535 /nfs/dbraw/zinc/27/75/35/485277535.db2.gz ASHOEPZRLMIQRA-UHFFFAOYSA-N 0 3 360.411 -0.178 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000626853473 485277688 /nfs/dbraw/zinc/27/76/88/485277688.db2.gz CEJYCQPMGAWCLZ-UHFFFAOYSA-N 0 3 354.432 -0.709 20 0 FBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CC)CCN)CC2 ZINC000626853476 485277377 /nfs/dbraw/zinc/27/73/77/485277377.db2.gz CGCCNBLXQPRTAI-UHFFFAOYSA-N 0 3 368.459 -0.319 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000626853524 485277240 /nfs/dbraw/zinc/27/72/40/485277240.db2.gz GAAJQNREBVULFH-UHFFFAOYSA-N 0 3 350.423 -0.312 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000626853611 485277555 /nfs/dbraw/zinc/27/75/55/485277555.db2.gz JESDUXNNXARYTQ-UHFFFAOYSA-N 0 3 372.447 -0.309 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000626853923 485277868 /nfs/dbraw/zinc/27/78/68/485277868.db2.gz YLALMZVLRVSMBL-UHFFFAOYSA-N 0 3 372.447 -0.643 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000626854402 485278880 /nfs/dbraw/zinc/27/88/80/485278880.db2.gz KMFYEAIJNCXIJY-UHFFFAOYSA-N 0 3 368.459 -0.333 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000626854744 485278340 /nfs/dbraw/zinc/27/83/40/485278340.db2.gz XXLARYXWIHBOFC-UHFFFAOYSA-N 0 3 361.446 -0.180 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000626854951 485278420 /nfs/dbraw/zinc/27/84/20/485278420.db2.gz OOMVJCPTTVHQNW-UHFFFAOYSA-N 0 3 354.432 -0.028 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000626855337 485279437 /nfs/dbraw/zinc/27/94/37/485279437.db2.gz YFZCMQJOVKFLJC-UHFFFAOYSA-N 0 3 362.430 -0.166 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000626855774 485278486 /nfs/dbraw/zinc/27/84/86/485278486.db2.gz CYZOXTUHUSPMAN-UHFFFAOYSA-N 0 3 354.432 -0.028 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000626855836 485279720 /nfs/dbraw/zinc/27/97/20/485279720.db2.gz GPNHZAUNVOPRIF-UHFFFAOYSA-N 0 3 372.447 -0.309 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000626855872 485280051 /nfs/dbraw/zinc/28/00/51/485280051.db2.gz IJNOJNMIGVTFFV-UHFFFAOYSA-N 0 3 354.432 -0.127 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000626855886 485280068 /nfs/dbraw/zinc/28/00/68/485280068.db2.gz JBGFLXBEYRQHQN-UHFFFAOYSA-N 0 3 356.448 -0.009 20 0 FBADHN CCN(CCN)C(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000626856092 485279838 /nfs/dbraw/zinc/27/98/38/485279838.db2.gz PPCKCMWDSCZZMH-UHFFFAOYSA-N 0 3 361.446 -0.180 20 0 FBADHN CC(C)CC[C@H](CO)NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626857481 485280581 /nfs/dbraw/zinc/28/05/81/485280581.db2.gz KASJFEIRVBKUSI-CYBMUJFWSA-N 0 3 364.450 -0.262 20 0 FBADHN CC(C)CC[C@@H](CO)NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626857484 485281083 /nfs/dbraw/zinc/28/10/83/485281083.db2.gz KASJFEIRVBKUSI-ZDUSSCGKSA-N 0 3 364.450 -0.262 20 0 FBADHN CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000626864000 485286597 /nfs/dbraw/zinc/28/65/97/485286597.db2.gz SYBGKKFFQDHQGI-NWDGAFQWSA-N 0 3 372.422 -0.071 20 0 FBADHN O=C(Nc1cnc(N2CCNCC2)nc1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000626870150 485291741 /nfs/dbraw/zinc/29/17/41/485291741.db2.gz FWWFTBYXBIUITP-UONOGXRCSA-N 0 3 360.418 -0.395 20 0 FBADHN CN1CCOC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000626876231 485295648 /nfs/dbraw/zinc/29/56/48/485295648.db2.gz RATDAHMUYVXZAT-GFCCVEGCSA-N 0 3 350.394 -0.143 20 0 FBADHN CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000626876233 485296023 /nfs/dbraw/zinc/29/60/23/485296023.db2.gz RATDAHMUYVXZAT-LBPRGKRZSA-N 0 3 350.394 -0.143 20 0 FBADHN CN1CCOC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000626876359 485296274 /nfs/dbraw/zinc/29/62/74/485296274.db2.gz SQGMNFBVBZRBJB-CVEARBPZSA-N 0 3 362.430 -0.267 20 0 FBADHN CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000626876360 485295997 /nfs/dbraw/zinc/29/59/97/485295997.db2.gz SQGMNFBVBZRBJB-HOTGVXAUSA-N 0 3 362.430 -0.267 20 0 FBADHN CN1CCOC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000626876361 485295491 /nfs/dbraw/zinc/29/54/91/485295491.db2.gz SQGMNFBVBZRBJB-HZPDHXFCSA-N 0 3 362.430 -0.267 20 0 FBADHN CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000626876362 485296224 /nfs/dbraw/zinc/29/62/24/485296224.db2.gz SQGMNFBVBZRBJB-JKSUJKDBSA-N 0 3 362.430 -0.267 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2COCCN2)c1 ZINC000626878877 485299983 /nfs/dbraw/zinc/29/99/83/485299983.db2.gz CIAGUHZCYUCCBM-AWEZNQCLSA-N 0 3 350.419 -0.330 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2COCCN2)c1 ZINC000626878880 485299253 /nfs/dbraw/zinc/29/92/53/485299253.db2.gz CIAGUHZCYUCCBM-CQSZACIVSA-N 0 3 350.419 -0.330 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)cc1 ZINC000626879497 485299937 /nfs/dbraw/zinc/29/99/37/485299937.db2.gz KSZDXJNNMDPBEE-AWEZNQCLSA-N 0 3 350.419 -0.330 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc1 ZINC000626879499 485299576 /nfs/dbraw/zinc/29/95/76/485299576.db2.gz KSZDXJNNMDPBEE-CQSZACIVSA-N 0 3 350.419 -0.330 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000626879900 485299910 /nfs/dbraw/zinc/29/99/10/485299910.db2.gz SLLWFTSDEYPHFH-CYBMUJFWSA-N 0 3 350.419 -0.200 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000626879912 485299135 /nfs/dbraw/zinc/29/91/35/485299135.db2.gz SLLWFTSDEYPHFH-ZDUSSCGKSA-N 0 3 350.419 -0.200 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)c(OCCN(C)C)c1 ZINC000626880424 485299040 /nfs/dbraw/zinc/29/90/40/485299040.db2.gz BKEISGYRAJQQNG-AWEZNQCLSA-N 0 3 364.446 -0.021 20 0 FBADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)c(OCCN(C)C)c1 ZINC000626880425 485299445 /nfs/dbraw/zinc/29/94/45/485299445.db2.gz BKEISGYRAJQQNG-CQSZACIVSA-N 0 3 364.446 -0.021 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@H]2COCCN2)ccc1OCCN(C)C ZINC000626882653 485302684 /nfs/dbraw/zinc/30/26/84/485302684.db2.gz AKCVDMRKPNTJNG-HNNXBMFYSA-N 0 3 364.446 -0.021 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2COCCN2)ccc1OCCN(C)C ZINC000626882655 485302655 /nfs/dbraw/zinc/30/26/55/485302655.db2.gz AKCVDMRKPNTJNG-OAHLLOKOSA-N 0 3 364.446 -0.021 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc1F ZINC000626883383 485303703 /nfs/dbraw/zinc/30/37/03/485303703.db2.gz QKKRXUDXVXIOCG-CYBMUJFWSA-N 0 3 368.409 -0.191 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)cc1F ZINC000626883384 485303860 /nfs/dbraw/zinc/30/38/60/485303860.db2.gz QKKRXUDXVXIOCG-ZDUSSCGKSA-N 0 3 368.409 -0.191 20 0 FBADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626883385 485303759 /nfs/dbraw/zinc/30/37/59/485303759.db2.gz QLNMCHIJQUUTCC-CIQGVGRVSA-N 0 3 362.434 -0.247 20 0 FBADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626883386 485303231 /nfs/dbraw/zinc/30/32/31/485303231.db2.gz QLNMCHIJQUUTCC-CZXHOFHRSA-N 0 3 362.434 -0.247 20 0 FBADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626883387 485303447 /nfs/dbraw/zinc/30/34/47/485303447.db2.gz QLNMCHIJQUUTCC-FMSGJZPZSA-N 0 3 362.434 -0.247 20 0 FBADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000626883388 485303917 /nfs/dbraw/zinc/30/39/17/485303917.db2.gz QLNMCHIJQUUTCC-GFQSEFKGSA-N 0 3 362.434 -0.247 20 0 FBADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)NC2(CN)CCOCC2)c1 ZINC000626884094 485303581 /nfs/dbraw/zinc/30/35/81/485303581.db2.gz QTYOOMXYVLVDOA-UHFFFAOYSA-N 0 3 373.417 -0.077 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1F ZINC000626892009 485309148 /nfs/dbraw/zinc/30/91/48/485309148.db2.gz FAOIVZCRNUKRDX-GXSJLCMTSA-N 0 3 372.422 -0.071 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1F ZINC000626892011 485309004 /nfs/dbraw/zinc/30/90/04/485309004.db2.gz FAOIVZCRNUKRDX-KOLCDFICSA-N 0 3 372.422 -0.071 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1F ZINC000626892013 485309478 /nfs/dbraw/zinc/30/94/78/485309478.db2.gz FAOIVZCRNUKRDX-MWLCHTKSSA-N 0 3 372.422 -0.071 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1F ZINC000626892016 485309210 /nfs/dbraw/zinc/30/92/10/485309210.db2.gz FAOIVZCRNUKRDX-ONGXEEELSA-N 0 3 372.422 -0.071 20 0 FBADHN Cn1cc(N2C[C@@H](C(=O)NCCN3CCN(C)C(C)(C)C3)CC2=O)cn1 ZINC000626895791 485311735 /nfs/dbraw/zinc/31/17/35/485311735.db2.gz QFVMTNWZYGNUFX-AWEZNQCLSA-N 0 3 362.478 -0.085 20 0 FBADHN Cn1cc(N2C[C@H](C(=O)NCCN3CCN(C)C(C)(C)C3)CC2=O)cn1 ZINC000626895792 485312080 /nfs/dbraw/zinc/31/20/80/485312080.db2.gz QFVMTNWZYGNUFX-CQSZACIVSA-N 0 3 362.478 -0.085 20 0 FBADHN O=C(Nc1cnc(N2CCNCC2)nc1)C(=O)N1CCO[C@H](CCF)C1 ZINC000626897092 485312136 /nfs/dbraw/zinc/31/21/36/485312136.db2.gz DPMTWNAMXKPBHA-CYBMUJFWSA-N 0 3 366.397 -0.588 20 0 FBADHN O=C(Nc1cnc(N2CCNCC2)nc1)C(=O)N1CCO[C@@H](CCF)C1 ZINC000626897098 485312000 /nfs/dbraw/zinc/31/20/00/485312000.db2.gz DPMTWNAMXKPBHA-ZDUSSCGKSA-N 0 3 366.397 -0.588 20 0 FBADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000626899264 485313969 /nfs/dbraw/zinc/31/39/69/485313969.db2.gz HLVCTXMYQRTKMB-KGLIPLIRSA-N 0 3 358.398 -0.013 20 0 FBADHN O=C(Nc1cnc(N2CCNCC2)nc1)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626899307 485314164 /nfs/dbraw/zinc/31/41/64/485314164.db2.gz JTQVUQFEYBBNGK-SCLBCKFNSA-N 0 3 374.445 -0.554 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CCO1 ZINC000626899784 485314382 /nfs/dbraw/zinc/31/43/82/485314382.db2.gz KDLYBLHLKCLDHJ-CYBMUJFWSA-N 0 3 362.386 -0.790 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCCNC3)CCO1 ZINC000626899785 485313933 /nfs/dbraw/zinc/31/39/33/485313933.db2.gz KDLYBLHLKCLDHJ-ZDUSSCGKSA-N 0 3 362.386 -0.790 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CCO1 ZINC000626899889 485314478 /nfs/dbraw/zinc/31/44/78/485314478.db2.gz PFYBVGLHEGYOBH-CYBMUJFWSA-N 0 3 362.386 -0.790 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CCO1 ZINC000626899890 485313864 /nfs/dbraw/zinc/31/38/64/485313864.db2.gz PFYBVGLHEGYOBH-ZDUSSCGKSA-N 0 3 362.386 -0.790 20 0 FBADHN O=C(NCCN1CC[C@@H](O)C1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000626899931 485315540 /nfs/dbraw/zinc/31/55/40/485315540.db2.gz RILDMGXJMDWDNK-GFCCVEGCSA-N 0 3 350.394 -0.407 20 0 FBADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3)CCO1 ZINC000626900054 485315473 /nfs/dbraw/zinc/31/54/73/485315473.db2.gz VXWKXMOUPHVVFC-LLVKDONJSA-N 0 3 364.377 -0.487 20 0 FBADHN NC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3)CCO1 ZINC000626900058 485315174 /nfs/dbraw/zinc/31/51/74/485315174.db2.gz VXWKXMOUPHVVFC-NSHDSACASA-N 0 3 364.377 -0.487 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)ccc1F ZINC000626911391 485322125 /nfs/dbraw/zinc/32/21/25/485322125.db2.gz GTKQVAKQZZQJDS-GZMMTYOYSA-N 0 3 358.395 -0.461 20 0 FBADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1OC ZINC000626912599 485322734 /nfs/dbraw/zinc/32/27/34/485322734.db2.gz HWYMMZHDJIIKHW-LLVKDONJSA-N 0 3 370.431 -0.127 20 0 FBADHN O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626913402 485323136 /nfs/dbraw/zinc/32/31/36/485323136.db2.gz CAYWQXICHYXDBF-LLVKDONJSA-N 0 3 370.406 -0.317 20 0 FBADHN O=C(NCCN1CC[C@H](O)C1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000626915591 485322760 /nfs/dbraw/zinc/32/27/60/485322760.db2.gz RILDMGXJMDWDNK-LBPRGKRZSA-N 0 3 350.394 -0.407 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000626915606 485323103 /nfs/dbraw/zinc/32/31/03/485323103.db2.gz RSVSWLLELXEDNR-CYBMUJFWSA-N 0 3 368.459 -0.128 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000626915607 485322933 /nfs/dbraw/zinc/32/29/33/485322933.db2.gz RSVSWLLELXEDNR-ZDUSSCGKSA-N 0 3 368.459 -0.128 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCOCCC[NH3+])s1 ZINC000626927838 485333715 /nfs/dbraw/zinc/33/37/15/485333715.db2.gz DHDXKBYMMWWELO-UHFFFAOYSA-N 0 3 350.466 -0.179 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)N(C)CCOCC[NH3+])s1 ZINC000626927964 485333686 /nfs/dbraw/zinc/33/36/86/485333686.db2.gz HNTYZCHZJJBGMH-UHFFFAOYSA-N 0 3 350.466 -0.227 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)s1 ZINC000626928468 485333365 /nfs/dbraw/zinc/33/33/65/485333365.db2.gz UKUFSPXHSJCLOP-UHFFFAOYSA-N 0 3 362.477 -0.037 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC2([NH3+])CCOCC2)s1 ZINC000626928518 485333603 /nfs/dbraw/zinc/33/36/03/485333603.db2.gz VNFBYONCFLSSSK-UHFFFAOYSA-N 0 3 362.477 -0.037 20 0 FBADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCOCC[NH2+]C)s1 ZINC000626928584 485333220 /nfs/dbraw/zinc/33/32/20/485333220.db2.gz WGYILMDDCIYECJ-UHFFFAOYSA-N 0 3 350.466 -0.309 20 0 FBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)NC[C@H]1COCCN1 ZINC000626930074 485334041 /nfs/dbraw/zinc/33/40/41/485334041.db2.gz JXNULDMVHCOAFV-HNNXBMFYSA-N 0 3 363.466 -0.724 20 0 FBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)NC[C@@H]1COCCN1 ZINC000626930075 485334190 /nfs/dbraw/zinc/33/41/90/485334190.db2.gz JXNULDMVHCOAFV-OAHLLOKOSA-N 0 3 363.466 -0.724 20 0 FBADHN O=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@H]1COCCN1 ZINC000626958261 483886662 /nfs/dbraw/zinc/88/66/62/483886662.db2.gz HLDHHCXIUMEJQC-INIZCTEOSA-N 0 3 362.478 -0.119 20 0 FBADHN O=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@@H]1COCCN1 ZINC000626958262 483886632 /nfs/dbraw/zinc/88/66/32/483886632.db2.gz HLDHHCXIUMEJQC-MRXNPFEDSA-N 0 3 362.478 -0.119 20 0 FBADHN C[C@@]1(c2ccc(CNC(=O)NCCOCCC[NH3+])cc2)NC(=O)[N-]C1=O ZINC000626964180 484214927 /nfs/dbraw/zinc/21/49/27/484214927.db2.gz NWGVXRUXJXLQLY-KRWDZBQOSA-N 0 3 363.418 -0.094 20 0 FBADHN C[C@]1(c2ccc(CNC(=O)NCCOCCC[NH3+])cc2)NC(=O)[N-]C1=O ZINC000626964181 484214853 /nfs/dbraw/zinc/21/48/53/484214853.db2.gz NWGVXRUXJXLQLY-QGZVFWFLSA-N 0 3 363.418 -0.094 20 0 FBADHN CCN(CCNC(=O)N1CCN(C(=O)N2CCNCC2)CC1)C1CC1 ZINC000626964483 484213127 /nfs/dbraw/zinc/21/31/27/484213127.db2.gz GTZODWSSBDUZGA-UHFFFAOYSA-N 0 3 352.483 -0.177 20 0 FBADHN C[NH2+]CCOCCNC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000626964690 484213859 /nfs/dbraw/zinc/21/38/59/484213859.db2.gz WEIIGDGUANEUMT-KRWDZBQOSA-N 0 3 363.418 -0.224 20 0 FBADHN C[NH2+]CCOCCNC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000626964693 484213544 /nfs/dbraw/zinc/21/35/44/484213544.db2.gz WEIIGDGUANEUMT-QGZVFWFLSA-N 0 3 363.418 -0.224 20 0 FBADHN CN(CCOCC[NH3+])C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000626964788 484214023 /nfs/dbraw/zinc/21/40/23/484214023.db2.gz YEBAQPKFJJPWNC-KRWDZBQOSA-N 0 3 363.418 -0.142 20 0 FBADHN CN(CCOCC[NH3+])C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000626964789 484213557 /nfs/dbraw/zinc/21/35/57/484213557.db2.gz YEBAQPKFJJPWNC-QGZVFWFLSA-N 0 3 363.418 -0.142 20 0 FBADHN O=C(NCCN1CCSCC1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000626977253 484221945 /nfs/dbraw/zinc/22/19/45/484221945.db2.gz XKMFDAKCMNDUFM-UHFFFAOYSA-N 0 3 370.523 -0.612 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1COCCN1 ZINC000626981571 484224781 /nfs/dbraw/zinc/22/47/81/484224781.db2.gz SFYCPFVWNHRACS-CVEARBPZSA-N 0 3 362.478 -0.120 20 0 FBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1COCCN1 ZINC000626981572 484224977 /nfs/dbraw/zinc/22/49/77/484224977.db2.gz SFYCPFVWNHRACS-HOTGVXAUSA-N 0 3 362.478 -0.120 20 0 FBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1COCCN1 ZINC000626981573 484225312 /nfs/dbraw/zinc/22/53/12/484225312.db2.gz SFYCPFVWNHRACS-HZPDHXFCSA-N 0 3 362.478 -0.120 20 0 FBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1COCCN1 ZINC000626981574 484224673 /nfs/dbraw/zinc/22/46/73/484224673.db2.gz SFYCPFVWNHRACS-JKSUJKDBSA-N 0 3 362.478 -0.120 20 0 FBADHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000626982233 484226059 /nfs/dbraw/zinc/22/60/59/484226059.db2.gz CZJUXMFXODSYTD-INIZCTEOSA-N 0 3 364.494 -0.177 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000626982234 484226368 /nfs/dbraw/zinc/22/63/68/484226368.db2.gz CZJUXMFXODSYTD-MRXNPFEDSA-N 0 3 364.494 -0.177 20 0 FBADHN COCCCN(C)CCNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000626986895 484232930 /nfs/dbraw/zinc/23/29/30/484232930.db2.gz PVQYYWAVKDFJPC-UHFFFAOYSA-N 0 3 370.498 -0.693 20 0 FBADHN [NH3+]CC1(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)CCOCC1 ZINC000627001102 484254295 /nfs/dbraw/zinc/25/42/95/484254295.db2.gz ADHSFXHVEZQVPJ-UHFFFAOYSA-N 0 3 362.477 -0.167 20 0 FBADHN [NH3+]CCCOCCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000627001350 484253708 /nfs/dbraw/zinc/25/37/08/484253708.db2.gz FGBCNYIESIKFJG-UHFFFAOYSA-N 0 3 350.466 -0.309 20 0 FBADHN CN(CCOCC[NH3+])C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000627001940 484253363 /nfs/dbraw/zinc/25/33/63/484253363.db2.gz OJHGEHKNGVEYOQ-UHFFFAOYSA-N 0 3 350.466 -0.357 20 0 FBADHN C[NH2+]CCOCCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000627002217 484255463 /nfs/dbraw/zinc/25/54/63/484255463.db2.gz TUXYGKYEVVZCJC-UHFFFAOYSA-N 0 3 350.466 -0.438 20 0 FBADHN C[NH2+]CCOCCN(C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000627002234 484255992 /nfs/dbraw/zinc/25/59/92/484255992.db2.gz UDEZSBULIDHJPK-UHFFFAOYSA-N 0 3 364.493 -0.096 20 0 FBADHN [NH3+]C1(CNC(=O)NCC[N-]S(=O)(=O)c2cccs2)CCOCC1 ZINC000627002707 484255490 /nfs/dbraw/zinc/25/54/90/484255490.db2.gz YRNYCFWVRWMTCI-UHFFFAOYSA-N 0 3 362.477 -0.167 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)NCC(=O)N2CCNCC2)CC1 ZINC000627065173 484310434 /nfs/dbraw/zinc/31/04/34/484310434.db2.gz AJKDUXXRIKAXKI-UHFFFAOYSA-N 0 3 367.494 -0.295 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)NCCCNCc2cccnc2)CCO1 ZINC000627071310 484314333 /nfs/dbraw/zinc/31/43/33/484314333.db2.gz FVDMDVYWNYRZLX-HNNXBMFYSA-N 0 3 364.450 -0.099 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)NCCCNCc2cccnc2)CCO1 ZINC000627071311 484313308 /nfs/dbraw/zinc/31/33/08/484313308.db2.gz FVDMDVYWNYRZLX-OAHLLOKOSA-N 0 3 364.450 -0.099 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@H](N)c1ccccc1 ZINC000627077901 484325019 /nfs/dbraw/zinc/32/50/19/484325019.db2.gz FAPJODCOCLSLSR-KBPBESRZSA-N 0 3 356.448 -0.354 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@H](N)c1ccccc1 ZINC000627077902 484323852 /nfs/dbraw/zinc/32/38/52/484323852.db2.gz FAPJODCOCLSLSR-KGLIPLIRSA-N 0 3 356.448 -0.354 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)NC[C@@H](N)c1ccccc1 ZINC000627077903 484324257 /nfs/dbraw/zinc/32/42/57/484324257.db2.gz FAPJODCOCLSLSR-UONOGXRCSA-N 0 3 356.448 -0.354 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NC[C@@H](N)c1ccccc1 ZINC000627077904 484325092 /nfs/dbraw/zinc/32/50/92/484325092.db2.gz FAPJODCOCLSLSR-ZIAGYGMSSA-N 0 3 356.448 -0.354 20 0 FBADHN COCCNCCNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627082133 484327933 /nfs/dbraw/zinc/32/79/33/484327933.db2.gz CNRFHACVDXFBSB-INIZCTEOSA-N 0 3 351.451 -0.182 20 0 FBADHN COCCNCCNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627082134 484327751 /nfs/dbraw/zinc/32/77/51/484327751.db2.gz CNRFHACVDXFBSB-MRXNPFEDSA-N 0 3 351.451 -0.182 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000627087290 484330226 /nfs/dbraw/zinc/33/02/26/484330226.db2.gz IBCRMAWHQLCCSM-HNNXBMFYSA-N 0 3 368.459 -0.251 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000627087291 484329290 /nfs/dbraw/zinc/32/92/90/484329290.db2.gz IBCRMAWHQLCCSM-OAHLLOKOSA-N 0 3 368.459 -0.251 20 0 FBADHN CCCN1CC[C@H](NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000627115594 484343924 /nfs/dbraw/zinc/34/39/24/484343924.db2.gz CLVUPVMXZRQNJX-HNNXBMFYSA-N 0 3 352.483 -0.177 20 0 FBADHN CCCN1CC[C@@H](NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000627115601 484343770 /nfs/dbraw/zinc/34/37/70/484343770.db2.gz CLVUPVMXZRQNJX-OAHLLOKOSA-N 0 3 352.483 -0.177 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000627124668 484347696 /nfs/dbraw/zinc/34/76/96/484347696.db2.gz DYUYAOKBWVDVAN-AWEZNQCLSA-N 0 3 370.494 -0.241 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000627124669 484347964 /nfs/dbraw/zinc/34/79/64/484347964.db2.gz DYUYAOKBWVDVAN-CQSZACIVSA-N 0 3 370.494 -0.241 20 0 FBADHN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)N1CCOC2(CNC2)C1 ZINC000627146299 484358048 /nfs/dbraw/zinc/35/80/48/484358048.db2.gz OZEIICYWPWNZOB-GFCCVEGCSA-N 0 3 358.406 -0.913 20 0 FBADHN O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)N1CCOC2(CNC2)C1 ZINC000627146300 484358063 /nfs/dbraw/zinc/35/80/63/484358063.db2.gz OZEIICYWPWNZOB-LBPRGKRZSA-N 0 3 358.406 -0.913 20 0 FBADHN COc1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cnc1OC ZINC000627170348 484370153 /nfs/dbraw/zinc/37/01/53/484370153.db2.gz PDLMOVAZRMUUCO-UHFFFAOYSA-N 0 3 365.434 -0.209 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnc(OC)c(OC)c2)CC1 ZINC000627182978 484375743 /nfs/dbraw/zinc/37/57/43/484375743.db2.gz MTLNOYKHFPEQMM-UHFFFAOYSA-N 0 3 365.434 -0.209 20 0 FBADHN COc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)[nH]n1 ZINC000627183189 484376186 /nfs/dbraw/zinc/37/61/86/484376186.db2.gz HVEZFLUIGDYPPP-CQSZACIVSA-N 0 3 373.413 -0.108 20 0 FBADHN O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)N1CCOC2(CNC2)C1 ZINC000627223303 484412412 /nfs/dbraw/zinc/41/24/12/484412412.db2.gz AXPPUXYYFXDXNC-INIZCTEOSA-N 0 3 361.446 -0.334 20 0 FBADHN O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)N1CCOC2(CNC2)C1 ZINC000627223304 484412160 /nfs/dbraw/zinc/41/21/60/484412160.db2.gz AXPPUXYYFXDXNC-MRXNPFEDSA-N 0 3 361.446 -0.334 20 0 FBADHN CN1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H](CN)C1 ZINC000627223533 484411938 /nfs/dbraw/zinc/41/19/38/484411938.db2.gz FDNAXDJKVHXVGI-DLBZAZTESA-N 0 3 362.478 -0.433 20 0 FBADHN CN1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@H](CN)C1 ZINC000627223534 484411841 /nfs/dbraw/zinc/41/18/41/484411841.db2.gz FDNAXDJKVHXVGI-IAGOWNOFSA-N 0 3 362.478 -0.433 20 0 FBADHN CN1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)[C@@H](CN)C1 ZINC000627223535 484411961 /nfs/dbraw/zinc/41/19/61/484411961.db2.gz FDNAXDJKVHXVGI-IRXDYDNUSA-N 0 3 362.478 -0.433 20 0 FBADHN CN1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)[C@H](CN)C1 ZINC000627223536 484412373 /nfs/dbraw/zinc/41/23/73/484412373.db2.gz FDNAXDJKVHXVGI-SJORKVTESA-N 0 3 362.478 -0.433 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000627251870 484506520 /nfs/dbraw/zinc/50/65/20/484506520.db2.gz DCNHAQPTUWHCDQ-CABCVRRESA-N 0 3 367.471 -0.059 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000627251871 484506394 /nfs/dbraw/zinc/50/63/94/484506394.db2.gz DCNHAQPTUWHCDQ-GJZGRUSLSA-N 0 3 367.471 -0.059 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000627251872 484505862 /nfs/dbraw/zinc/50/58/62/484505862.db2.gz DCNHAQPTUWHCDQ-HUUCEWRRSA-N 0 3 367.471 -0.059 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000627251873 484506009 /nfs/dbraw/zinc/50/60/09/484506009.db2.gz DCNHAQPTUWHCDQ-LSDHHAIUSA-N 0 3 367.471 -0.059 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000627251904 484506414 /nfs/dbraw/zinc/50/64/14/484506414.db2.gz FFBCNLLNHOROME-KBPBESRZSA-N 0 3 353.444 -0.124 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000627251905 484506026 /nfs/dbraw/zinc/50/60/26/484506026.db2.gz FFBCNLLNHOROME-KGLIPLIRSA-N 0 3 353.444 -0.124 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000627251906 484505894 /nfs/dbraw/zinc/50/58/94/484505894.db2.gz FFBCNLLNHOROME-UONOGXRCSA-N 0 3 353.444 -0.124 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000627251907 484505913 /nfs/dbraw/zinc/50/59/13/484505913.db2.gz FFBCNLLNHOROME-ZIAGYGMSSA-N 0 3 353.444 -0.124 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627251960 484506617 /nfs/dbraw/zinc/50/66/17/484506617.db2.gz GQNWMKNPPUUJQI-KBPBESRZSA-N 0 3 371.434 -0.229 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627251961 484506180 /nfs/dbraw/zinc/50/61/80/484506180.db2.gz GQNWMKNPPUUJQI-KGLIPLIRSA-N 0 3 371.434 -0.229 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627251962 484506296 /nfs/dbraw/zinc/50/62/96/484506296.db2.gz GQNWMKNPPUUJQI-UONOGXRCSA-N 0 3 371.434 -0.229 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627251963 484506159 /nfs/dbraw/zinc/50/61/59/484506159.db2.gz GQNWMKNPPUUJQI-ZIAGYGMSSA-N 0 3 371.434 -0.229 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627251972 484505116 /nfs/dbraw/zinc/50/51/16/484505116.db2.gz HGNDCRYXHWICHW-CHWSQXEVSA-N 0 3 371.434 -0.229 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627251973 484505178 /nfs/dbraw/zinc/50/51/78/484505178.db2.gz HGNDCRYXHWICHW-OLZOCXBDSA-N 0 3 371.434 -0.229 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627251974 484505133 /nfs/dbraw/zinc/50/51/33/484505133.db2.gz HGNDCRYXHWICHW-QWHCGFSZSA-N 0 3 371.434 -0.229 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627251975 484505402 /nfs/dbraw/zinc/50/54/02/484505402.db2.gz HGNDCRYXHWICHW-STQMWFEESA-N 0 3 371.434 -0.229 20 0 FBADHN CCn1c2ccc(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)cc2[nH]c(=O)c1=O ZINC000627252191 484506082 /nfs/dbraw/zinc/50/60/82/484506082.db2.gz NPGFUNNSLHFVMN-KBPBESRZSA-N 0 3 372.425 -0.009 20 0 FBADHN CCn1c2ccc(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)cc2[nH]c(=O)c1=O ZINC000627252192 484506563 /nfs/dbraw/zinc/50/65/63/484506563.db2.gz NPGFUNNSLHFVMN-KGLIPLIRSA-N 0 3 372.425 -0.009 20 0 FBADHN CCn1c2ccc(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)cc2[nH]c(=O)c1=O ZINC000627252193 484506266 /nfs/dbraw/zinc/50/62/66/484506266.db2.gz NPGFUNNSLHFVMN-UONOGXRCSA-N 0 3 372.425 -0.009 20 0 FBADHN CCn1c2ccc(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)cc2[nH]c(=O)c1=O ZINC000627252194 484506535 /nfs/dbraw/zinc/50/65/35/484506535.db2.gz NPGFUNNSLHFVMN-ZIAGYGMSSA-N 0 3 372.425 -0.009 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627252595 484507532 /nfs/dbraw/zinc/50/75/32/484507532.db2.gz ZYXLZSCVDPPJDI-CHWSQXEVSA-N 0 3 350.419 -0.482 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627252596 484507250 /nfs/dbraw/zinc/50/72/50/484507250.db2.gz ZYXLZSCVDPPJDI-OLZOCXBDSA-N 0 3 350.419 -0.482 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627252597 484507292 /nfs/dbraw/zinc/50/72/92/484507292.db2.gz ZYXLZSCVDPPJDI-QWHCGFSZSA-N 0 3 350.419 -0.482 20 0 FBADHN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627252598 484507193 /nfs/dbraw/zinc/50/71/93/484507193.db2.gz ZYXLZSCVDPPJDI-STQMWFEESA-N 0 3 350.419 -0.482 20 0 FBADHN Cc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1S(N)(=O)=O ZINC000627253125 484509100 /nfs/dbraw/zinc/50/91/00/484509100.db2.gz QHMGRXFVXMPIFN-KBPBESRZSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1S(N)(=O)=O ZINC000627253126 484508873 /nfs/dbraw/zinc/50/88/73/484508873.db2.gz QHMGRXFVXMPIFN-KGLIPLIRSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1S(N)(=O)=O ZINC000627253127 484509091 /nfs/dbraw/zinc/50/90/91/484509091.db2.gz QHMGRXFVXMPIFN-UONOGXRCSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1S(N)(=O)=O ZINC000627253128 484509281 /nfs/dbraw/zinc/50/92/81/484509281.db2.gz QHMGRXFVXMPIFN-ZIAGYGMSSA-N 0 3 353.444 -0.076 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(OC)n[nH]2)CC1 ZINC000627253915 484509220 /nfs/dbraw/zinc/50/92/20/484509220.db2.gz KOMUEDDWHPHWRQ-GFCCVEGCSA-N 0 3 352.439 -0.253 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(OC)n[nH]2)CC1 ZINC000627253916 484509076 /nfs/dbraw/zinc/50/90/76/484509076.db2.gz KOMUEDDWHPHWRQ-LBPRGKRZSA-N 0 3 352.439 -0.253 20 0 FBADHN CN(CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1cccnc1 ZINC000627256729 484514392 /nfs/dbraw/zinc/51/43/92/484514392.db2.gz SVRFTRVCYCBREZ-KBPBESRZSA-N 0 3 368.459 -0.630 20 0 FBADHN CN(CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1cccnc1 ZINC000627256730 484514194 /nfs/dbraw/zinc/51/41/94/484514194.db2.gz SVRFTRVCYCBREZ-KGLIPLIRSA-N 0 3 368.459 -0.630 20 0 FBADHN CN(CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1cccnc1 ZINC000627256731 484514274 /nfs/dbraw/zinc/51/42/74/484514274.db2.gz SVRFTRVCYCBREZ-UONOGXRCSA-N 0 3 368.459 -0.630 20 0 FBADHN CN(CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1cccnc1 ZINC000627256732 484514144 /nfs/dbraw/zinc/51/41/44/484514144.db2.gz SVRFTRVCYCBREZ-ZIAGYGMSSA-N 0 3 368.459 -0.630 20 0 FBADHN O=C(CCCS(=O)(=O)N1CCCC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627257520 484515930 /nfs/dbraw/zinc/51/59/30/484515930.db2.gz ISEXPLLMDHIHOM-CABCVRRESA-N 0 3 359.492 -0.140 20 0 FBADHN O=C(CCCS(=O)(=O)N1CCCC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627257521 484516075 /nfs/dbraw/zinc/51/60/75/484516075.db2.gz ISEXPLLMDHIHOM-GJZGRUSLSA-N 0 3 359.492 -0.140 20 0 FBADHN O=C(CCCS(=O)(=O)N1CCCC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627257522 484515944 /nfs/dbraw/zinc/51/59/44/484515944.db2.gz ISEXPLLMDHIHOM-HUUCEWRRSA-N 0 3 359.492 -0.140 20 0 FBADHN O=C(CCCS(=O)(=O)N1CCCC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627257523 484515957 /nfs/dbraw/zinc/51/59/57/484515957.db2.gz ISEXPLLMDHIHOM-LSDHHAIUSA-N 0 3 359.492 -0.140 20 0 FBADHN C[C@H](C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000627257542 484516941 /nfs/dbraw/zinc/51/69/41/484516941.db2.gz JAFJARGEDGZVMB-HZSPNIEDSA-N 0 3 364.446 -0.093 20 0 FBADHN C[C@H](C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000627257543 484516668 /nfs/dbraw/zinc/51/66/68/484516668.db2.gz JAFJARGEDGZVMB-MCIONIFRSA-N 0 3 364.446 -0.093 20 0 FBADHN C[C@H](C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000627257544 484516787 /nfs/dbraw/zinc/51/67/87/484516787.db2.gz JAFJARGEDGZVMB-MGPQQGTHSA-N 0 3 364.446 -0.093 20 0 FBADHN C[C@H](C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000627257545 484516433 /nfs/dbraw/zinc/51/64/33/484516433.db2.gz JAFJARGEDGZVMB-RDBSUJKOSA-N 0 3 364.446 -0.093 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000627258126 484516418 /nfs/dbraw/zinc/51/64/18/484516418.db2.gz UXSAVJOWWJBOCP-KKUMJFAQSA-N 0 3 359.492 -0.284 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000627258127 484516720 /nfs/dbraw/zinc/51/67/20/484516720.db2.gz UXSAVJOWWJBOCP-RRFJBIMHSA-N 0 3 359.492 -0.284 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000627258128 484516658 /nfs/dbraw/zinc/51/66/58/484516658.db2.gz UXSAVJOWWJBOCP-SOUVJXGZSA-N 0 3 359.492 -0.284 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000627258129 484516363 /nfs/dbraw/zinc/51/63/63/484516363.db2.gz UXSAVJOWWJBOCP-ZNMIVQPWSA-N 0 3 359.492 -0.284 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000627259173 484516590 /nfs/dbraw/zinc/51/65/90/484516590.db2.gz ODUXZTNCNKSQHF-CHWSQXEVSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000627259173 484516587 /nfs/dbraw/zinc/51/65/87/484516587.db2.gz ODUXZTNCNKSQHF-CHWSQXEVSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000627259173 484516584 /nfs/dbraw/zinc/51/65/84/484516584.db2.gz ODUXZTNCNKSQHF-CHWSQXEVSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000627259174 484516885 /nfs/dbraw/zinc/51/68/85/484516885.db2.gz ODUXZTNCNKSQHF-OLZOCXBDSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000627259174 484516881 /nfs/dbraw/zinc/51/68/81/484516881.db2.gz ODUXZTNCNKSQHF-OLZOCXBDSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000627259174 484516879 /nfs/dbraw/zinc/51/68/79/484516879.db2.gz ODUXZTNCNKSQHF-OLZOCXBDSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000627259175 484517749 /nfs/dbraw/zinc/51/77/49/484517749.db2.gz ODUXZTNCNKSQHF-QWHCGFSZSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000627259175 484517746 /nfs/dbraw/zinc/51/77/46/484517746.db2.gz ODUXZTNCNKSQHF-QWHCGFSZSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000627259175 484517743 /nfs/dbraw/zinc/51/77/43/484517743.db2.gz ODUXZTNCNKSQHF-QWHCGFSZSA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000627259176 484517534 /nfs/dbraw/zinc/51/75/34/484517534.db2.gz ODUXZTNCNKSQHF-STQMWFEESA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[n-]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000627259176 484517530 /nfs/dbraw/zinc/51/75/30/484517530.db2.gz ODUXZTNCNKSQHF-STQMWFEESA-N 0 3 370.475 -0.018 20 0 FBADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000627259176 484517526 /nfs/dbraw/zinc/51/75/26/484517526.db2.gz ODUXZTNCNKSQHF-STQMWFEESA-N 0 3 370.475 -0.018 20 0 FBADHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1S(N)(=O)=O ZINC000627259749 484518966 /nfs/dbraw/zinc/51/89/66/484518966.db2.gz YWGPDBLQBKXKFJ-KBPBESRZSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1S(N)(=O)=O ZINC000627259750 484519254 /nfs/dbraw/zinc/51/92/54/484519254.db2.gz YWGPDBLQBKXKFJ-KGLIPLIRSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1S(N)(=O)=O ZINC000627259751 484519146 /nfs/dbraw/zinc/51/91/46/484519146.db2.gz YWGPDBLQBKXKFJ-UONOGXRCSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1S(N)(=O)=O ZINC000627259752 484519108 /nfs/dbraw/zinc/51/91/08/484519108.db2.gz YWGPDBLQBKXKFJ-ZIAGYGMSSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cccc1S(N)(=O)=O ZINC000627260108 484522131 /nfs/dbraw/zinc/52/21/31/484522131.db2.gz DSZGDUXYDCBFEU-CHWSQXEVSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cccc1S(N)(=O)=O ZINC000627260109 484521743 /nfs/dbraw/zinc/52/17/43/484521743.db2.gz DSZGDUXYDCBFEU-OLZOCXBDSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cccc1S(N)(=O)=O ZINC000627260110 484522091 /nfs/dbraw/zinc/52/20/91/484522091.db2.gz DSZGDUXYDCBFEU-QWHCGFSZSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cccc1S(N)(=O)=O ZINC000627260111 484521653 /nfs/dbraw/zinc/52/16/53/484521653.db2.gz DSZGDUXYDCBFEU-STQMWFEESA-N 0 3 353.444 -0.076 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cn1 ZINC000627264021 484553339 /nfs/dbraw/zinc/55/33/39/484553339.db2.gz MVQBPIFAIIXBQL-CHWSQXEVSA-N 0 3 354.432 -0.729 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cn1 ZINC000627264022 484553627 /nfs/dbraw/zinc/55/36/27/484553627.db2.gz MVQBPIFAIIXBQL-OLZOCXBDSA-N 0 3 354.432 -0.729 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cn1 ZINC000627264023 484554027 /nfs/dbraw/zinc/55/40/27/484554027.db2.gz MVQBPIFAIIXBQL-QWHCGFSZSA-N 0 3 354.432 -0.729 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cn1 ZINC000627264024 484553568 /nfs/dbraw/zinc/55/35/68/484553568.db2.gz MVQBPIFAIIXBQL-STQMWFEESA-N 0 3 354.432 -0.729 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627266543 484604523 /nfs/dbraw/zinc/60/45/23/484604523.db2.gz BFUKTPDKWQXYIZ-CHWSQXEVSA-N 0 3 368.459 -0.785 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627266544 484605464 /nfs/dbraw/zinc/60/54/64/484605464.db2.gz BFUKTPDKWQXYIZ-OLZOCXBDSA-N 0 3 368.459 -0.785 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627266545 484604764 /nfs/dbraw/zinc/60/47/64/484604764.db2.gz BFUKTPDKWQXYIZ-QWHCGFSZSA-N 0 3 368.459 -0.785 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 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JASQBSSMWJLVAS-UHFFFAOYSA-N 0 3 368.459 -0.350 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCNC[C@@H]1C(C)C)N1CCN(C)CC1 ZINC000627324787 484680546 /nfs/dbraw/zinc/68/05/46/484680546.db2.gz NCELNVVQCXZGRE-DLBZAZTESA-N 0 3 367.538 -0.169 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1CCNC[C@@H]1C(C)C)N1CCN(C)CC1 ZINC000627324788 484680535 /nfs/dbraw/zinc/68/05/35/484680535.db2.gz NCELNVVQCXZGRE-IAGOWNOFSA-N 0 3 367.538 -0.169 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CCNC[C@H]1C(C)C)N1CCN(C)CC1 ZINC000627324789 484680568 /nfs/dbraw/zinc/68/05/68/484680568.db2.gz NCELNVVQCXZGRE-IRXDYDNUSA-N 0 3 367.538 -0.169 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1CCNC[C@H]1C(C)C)N1CCN(C)CC1 ZINC000627324790 484679587 /nfs/dbraw/zinc/67/95/87/484679587.db2.gz NCELNVVQCXZGRE-SJORKVTESA-N 0 3 367.538 -0.169 20 0 FBADHN CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627325867 484681048 /nfs/dbraw/zinc/68/10/48/484681048.db2.gz WTDXGBIMHKCKJL-HNNXBMFYSA-N 0 3 364.446 -0.652 20 0 FBADHN CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627325868 484681865 /nfs/dbraw/zinc/68/18/65/484681865.db2.gz WTDXGBIMHKCKJL-OAHLLOKOSA-N 0 3 364.446 -0.652 20 0 FBADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)NC[C@H]1COCCN1 ZINC000627325979 484683064 /nfs/dbraw/zinc/68/30/64/484683064.db2.gz AUDORNJDQSNRBM-DLBZAZTESA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)NC[C@@H]1COCCN1 ZINC000627325980 484683130 /nfs/dbraw/zinc/68/31/30/484683130.db2.gz AUDORNJDQSNRBM-IAGOWNOFSA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)NC[C@H]1COCCN1 ZINC000627325981 484682603 /nfs/dbraw/zinc/68/26/03/484682603.db2.gz AUDORNJDQSNRBM-IRXDYDNUSA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)NC[C@@H]1COCCN1 ZINC000627325982 484683022 /nfs/dbraw/zinc/68/30/22/484683022.db2.gz AUDORNJDQSNRBM-SJORKVTESA-N 0 3 360.458 -0.128 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000627326032 484682765 /nfs/dbraw/zinc/68/27/65/484682765.db2.gz DHWFFJICSATVRM-HNNXBMFYSA-N 0 3 362.478 -0.485 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000627326033 484682831 /nfs/dbraw/zinc/68/28/31/484682831.db2.gz DHWFFJICSATVRM-OAHLLOKOSA-N 0 3 362.478 -0.485 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000627328892 484684368 /nfs/dbraw/zinc/68/43/68/484684368.db2.gz RRYIAJVIJSFWBW-UHFFFAOYSA-N 0 3 362.477 -0.742 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000627329692 484686730 /nfs/dbraw/zinc/68/67/30/484686730.db2.gz RHFQGPOVDCUQNR-UHFFFAOYSA-N 0 3 369.510 -0.464 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000627329862 484686907 /nfs/dbraw/zinc/68/69/07/484686907.db2.gz XEDQFFKPOZBTKD-UHFFFAOYSA-N 0 3 367.450 -0.445 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000627334241 484707099 /nfs/dbraw/zinc/70/70/99/484707099.db2.gz KNVWPJHSSOVHRK-HNNXBMFYSA-N 0 3 353.511 -0.415 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000627334242 484706773 /nfs/dbraw/zinc/70/67/73/484706773.db2.gz KNVWPJHSSOVHRK-OAHLLOKOSA-N 0 3 353.511 -0.415 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)[nH]n1 ZINC000627335237 484722649 /nfs/dbraw/zinc/72/26/49/484722649.db2.gz PBNNQCWXYFBOBR-GFCCVEGCSA-N 0 3 350.423 -0.405 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)[nH]n1 ZINC000627335238 484722682 /nfs/dbraw/zinc/72/26/82/484722682.db2.gz PBNNQCWXYFBOBR-LBPRGKRZSA-N 0 3 350.423 -0.405 20 0 FBADHN CCN(CCNC(=O)C(=O)NC[C@@H]1COCCN1)CCC(F)(F)F ZINC000627336926 484732130 /nfs/dbraw/zinc/73/21/30/484732130.db2.gz OFRNMSLKORFJEM-LLVKDONJSA-N 0 3 354.373 -0.519 20 0 FBADHN CCN(CCNC(=O)C(=O)NC[C@H]1COCCN1)CCC(F)(F)F ZINC000627336927 484732555 /nfs/dbraw/zinc/73/25/55/484732555.db2.gz OFRNMSLKORFJEM-NSHDSACASA-N 0 3 354.373 -0.519 20 0 FBADHN O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000627337105 484732175 /nfs/dbraw/zinc/73/21/75/484732175.db2.gz UBLFAVLZBALALQ-DLBZAZTESA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000627337106 484732882 /nfs/dbraw/zinc/73/28/82/484732882.db2.gz UBLFAVLZBALALQ-IAGOWNOFSA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@H]1COCCN1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000627337107 484732046 /nfs/dbraw/zinc/73/20/46/484732046.db2.gz UBLFAVLZBALALQ-IRXDYDNUSA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@H]1COCCN1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000627337108 484731978 /nfs/dbraw/zinc/73/19/78/484731978.db2.gz UBLFAVLZBALALQ-SJORKVTESA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@@H]1COCCN1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000627338144 484734890 /nfs/dbraw/zinc/73/48/90/484734890.db2.gz WFMZTFQRZIFFFO-GOSISDBHSA-N 0 3 374.485 -0.086 20 0 FBADHN O=C(NC[C@H]1COCCN1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000627338145 484734954 /nfs/dbraw/zinc/73/49/54/484734954.db2.gz WFMZTFQRZIFFFO-SFHVURJKSA-N 0 3 374.485 -0.086 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000627338432 484735409 /nfs/dbraw/zinc/73/54/09/484735409.db2.gz FYZBDIDDOHYABB-UHFFFAOYSA-N 0 3 350.419 -0.423 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@H]2COCCN2)cc1 ZINC000627338776 484735146 /nfs/dbraw/zinc/73/51/46/484735146.db2.gz QBGQCVCJMCGAPE-HNNXBMFYSA-N 0 3 364.446 -0.652 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)cc1 ZINC000627338777 484735247 /nfs/dbraw/zinc/73/52/47/484735247.db2.gz QBGQCVCJMCGAPE-OAHLLOKOSA-N 0 3 364.446 -0.652 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@H]2COCCN2)c1 ZINC000627338987 484736882 /nfs/dbraw/zinc/73/68/82/484736882.db2.gz WCTIGHSCAAQBJZ-HNNXBMFYSA-N 0 3 364.446 -0.652 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)c1 ZINC000627338988 484736834 /nfs/dbraw/zinc/73/68/34/484736834.db2.gz WCTIGHSCAAQBJZ-OAHLLOKOSA-N 0 3 364.446 -0.652 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H]1COCCN1)N1CCc2ccccc2C1 ZINC000627339388 484738374 /nfs/dbraw/zinc/73/83/74/484738374.db2.gz HANFKKBPCBFCHT-PBHICJAKSA-N 0 3 360.458 -0.346 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)N1CCc2ccccc2C1 ZINC000627339389 484737872 /nfs/dbraw/zinc/73/78/72/484737872.db2.gz HANFKKBPCBFCHT-RHSMWYFYSA-N 0 3 360.458 -0.346 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)N1CCc2ccccc2C1 ZINC000627339390 484737855 /nfs/dbraw/zinc/73/78/55/484737855.db2.gz HANFKKBPCBFCHT-WMLDXEAASA-N 0 3 360.458 -0.346 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1COCCN1)N1CCc2ccccc2C1 ZINC000627339391 484738456 /nfs/dbraw/zinc/73/84/56/484738456.db2.gz HANFKKBPCBFCHT-YOEHRIQHSA-N 0 3 360.458 -0.346 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000627340916 484742144 /nfs/dbraw/zinc/74/21/44/484742144.db2.gz UUJLEQDNTFDRRF-UHFFFAOYSA-N 0 3 361.446 -0.741 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000627347241 484752838 /nfs/dbraw/zinc/75/28/38/484752838.db2.gz UWNQKGVVIZRAPH-HNNXBMFYSA-N 0 3 362.430 -0.281 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000627347242 484753108 /nfs/dbraw/zinc/75/31/08/484753108.db2.gz UWNQKGVVIZRAPH-OAHLLOKOSA-N 0 3 362.430 -0.281 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000627350047 484767009 /nfs/dbraw/zinc/76/70/09/484767009.db2.gz HIWYRWBGLMRQLY-UHFFFAOYSA-N 0 3 362.478 -0.353 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)N1CCC(C)CC1 ZINC000627351264 484770129 /nfs/dbraw/zinc/77/01/29/484770129.db2.gz NJJOKDVDJMOMNH-CVEARBPZSA-N 0 3 354.495 -0.036 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COCCN1)N1CCC(C)CC1 ZINC000627351265 484770536 /nfs/dbraw/zinc/77/05/36/484770536.db2.gz NJJOKDVDJMOMNH-HOTGVXAUSA-N 0 3 354.495 -0.036 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)N1CCC(C)CC1 ZINC000627351266 484770452 /nfs/dbraw/zinc/77/04/52/484770452.db2.gz NJJOKDVDJMOMNH-HZPDHXFCSA-N 0 3 354.495 -0.036 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCCN1)N1CCC(C)CC1 ZINC000627351267 484770658 /nfs/dbraw/zinc/77/06/58/484770658.db2.gz NJJOKDVDJMOMNH-JKSUJKDBSA-N 0 3 354.495 -0.036 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NC[C@H]2COCCN2)Cc2ccccc2C1 ZINC000627354346 484851324 /nfs/dbraw/zinc/85/13/24/484851324.db2.gz ZKUBOXIISSRLJJ-INIZCTEOSA-N 0 3 360.458 -0.694 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)NC[C@@H]2COCCN2)Cc2ccccc2C1 ZINC000627354347 484850992 /nfs/dbraw/zinc/85/09/92/484850992.db2.gz ZKUBOXIISSRLJJ-MRXNPFEDSA-N 0 3 360.458 -0.694 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)c1ccc(F)cc1 ZINC000627357323 484882147 /nfs/dbraw/zinc/88/21/47/484882147.db2.gz CPIXQSGRKXKFKR-CABCVRRESA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCCN1)c1ccc(F)cc1 ZINC000627357324 484882250 /nfs/dbraw/zinc/88/22/50/484882250.db2.gz CPIXQSGRKXKFKR-GJZGRUSLSA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)c1ccc(F)cc1 ZINC000627357325 483867960 /nfs/dbraw/zinc/86/79/60/483867960.db2.gz CPIXQSGRKXKFKR-HUUCEWRRSA-N 0 3 352.410 -0.351 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1COCCN1)c1ccc(F)cc1 ZINC000627357326 483868046 /nfs/dbraw/zinc/86/80/46/483868046.db2.gz CPIXQSGRKXKFKR-LSDHHAIUSA-N 0 3 352.410 -0.351 20 0 FBADHN Cn1nnnc1-c1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000627357887 484883746 /nfs/dbraw/zinc/88/37/46/484883746.db2.gz UKDRNBVNDFLDIB-UHFFFAOYSA-N 0 3 373.417 -0.612 20 0 FBADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@H]1COCCN1 ZINC000627357915 484883408 /nfs/dbraw/zinc/88/34/08/484883408.db2.gz UVKUNQANMOROGF-KRWDZBQOSA-N 0 3 360.458 -0.344 20 0 FBADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@@H]1COCCN1 ZINC000627357916 484883661 /nfs/dbraw/zinc/88/36/61/484883661.db2.gz UVKUNQANMOROGF-QGZVFWFLSA-N 0 3 360.458 -0.344 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000627357977 484884171 /nfs/dbraw/zinc/88/41/71/484884171.db2.gz WNLKBIUXLJMCDC-KRWDZBQOSA-N 0 3 361.490 -0.102 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000627357978 484884121 /nfs/dbraw/zinc/88/41/21/484884121.db2.gz WNLKBIUXLJMCDC-QGZVFWFLSA-N 0 3 361.490 -0.102 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000627364135 484884075 /nfs/dbraw/zinc/88/40/75/484884075.db2.gz IBQFYDCCTVPAJT-KRWDZBQOSA-N 0 3 367.538 -0.023 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000627364136 484883733 /nfs/dbraw/zinc/88/37/33/484883733.db2.gz IBQFYDCCTVPAJT-QGZVFWFLSA-N 0 3 367.538 -0.023 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000627364653 484885640 /nfs/dbraw/zinc/88/56/40/484885640.db2.gz UOIQXKJHOVRELC-INIZCTEOSA-N 0 3 353.511 -0.413 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000627364654 484885295 /nfs/dbraw/zinc/88/52/95/484885295.db2.gz UOIQXKJHOVRELC-MRXNPFEDSA-N 0 3 353.511 -0.413 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000627365070 484885351 /nfs/dbraw/zinc/88/53/51/484885351.db2.gz DXHKYSZNYIZYDP-UHFFFAOYSA-N 0 3 365.453 -0.129 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)N2CCCC2)o1 ZINC000627365411 484885240 /nfs/dbraw/zinc/88/52/40/484885240.db2.gz NYWXNKQKSHKTAZ-CABCVRRESA-N 0 3 364.446 -0.054 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2COCCN2)N2CCCC2)o1 ZINC000627365412 484885578 /nfs/dbraw/zinc/88/55/78/484885578.db2.gz NYWXNKQKSHKTAZ-GJZGRUSLSA-N 0 3 364.446 -0.054 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)N2CCCC2)o1 ZINC000627365413 484885993 /nfs/dbraw/zinc/88/59/93/484885993.db2.gz NYWXNKQKSHKTAZ-HUUCEWRRSA-N 0 3 364.446 -0.054 20 0 FBADHN Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2COCCN2)N2CCCC2)o1 ZINC000627365414 484885949 /nfs/dbraw/zinc/88/59/49/484885949.db2.gz NYWXNKQKSHKTAZ-LSDHHAIUSA-N 0 3 364.446 -0.054 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627367392 484885164 /nfs/dbraw/zinc/88/51/64/484885164.db2.gz SIWKHJMVQRRRJE-DJIMGWMZSA-N 0 3 360.458 -0.272 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627367393 484885564 /nfs/dbraw/zinc/88/55/64/484885564.db2.gz SIWKHJMVQRRRJE-HYVNUMGLSA-N 0 3 360.458 -0.272 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627367394 484884783 /nfs/dbraw/zinc/88/47/83/484884783.db2.gz SIWKHJMVQRRRJE-OIISXLGYSA-N 0 3 360.458 -0.272 20 0 FBADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627367395 484885279 /nfs/dbraw/zinc/88/52/79/484885279.db2.gz SIWKHJMVQRRRJE-PVAVHDDUSA-N 0 3 360.458 -0.272 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000627372231 484886739 /nfs/dbraw/zinc/88/67/39/484886739.db2.gz GRSKFVFYWRCZKJ-GFCCVEGCSA-N 0 3 370.475 -0.079 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000627372232 483492311 /nfs/dbraw/zinc/49/23/11/483492311.db2.gz GRSKFVFYWRCZKJ-LBPRGKRZSA-N 0 3 370.475 -0.079 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000627372867 484887247 /nfs/dbraw/zinc/88/72/47/484887247.db2.gz YRNBALOWZGXGPR-LLVKDONJSA-N 0 3 356.448 -0.421 20 0 FBADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000627372868 484886896 /nfs/dbraw/zinc/88/68/96/484886896.db2.gz YRNBALOWZGXGPR-NSHDSACASA-N 0 3 356.448 -0.421 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000627376884 484888729 /nfs/dbraw/zinc/88/87/29/484888729.db2.gz RCCJQJIWHOCPLL-UHFFFAOYSA-N 0 3 353.398 -0.519 20 0 FBADHN NC1(CNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCOCC1 ZINC000627378511 484888499 /nfs/dbraw/zinc/88/84/99/484888499.db2.gz NOTXARNWKLHOHO-UHFFFAOYSA-N 0 3 369.443 -0.799 20 0 FBADHN O=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1COCCN1 ZINC000627381157 484888668 /nfs/dbraw/zinc/88/86/68/484888668.db2.gz JUDXJYLPMRAJJO-HNNXBMFYSA-N 0 3 361.446 -0.481 20 0 FBADHN O=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1COCCN1 ZINC000627381158 484889057 /nfs/dbraw/zinc/88/90/57/484889057.db2.gz JUDXJYLPMRAJJO-OAHLLOKOSA-N 0 3 361.446 -0.481 20 0 FBADHN O=C(NC[C@H]1COCCN1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000627385433 484890083 /nfs/dbraw/zinc/89/00/83/484890083.db2.gz KZHQZXGJAJNRSY-AWEZNQCLSA-N 0 3 370.519 -0.431 20 0 FBADHN O=C(NC[C@@H]1COCCN1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000627385434 484889455 /nfs/dbraw/zinc/88/94/55/484889455.db2.gz KZHQZXGJAJNRSY-CQSZACIVSA-N 0 3 370.519 -0.431 20 0 FBADHN CCN(CCN)C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000627386384 484889489 /nfs/dbraw/zinc/88/94/89/484889489.db2.gz NFUFBNQFZOGTLW-UHFFFAOYSA-N 0 3 357.432 -0.608 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCCN2)CN1Cc1ccccc1 ZINC000627388365 484891955 /nfs/dbraw/zinc/89/19/55/484891955.db2.gz SJMNRMCOFARIAH-DJIMGWMZSA-N 0 3 360.458 -0.130 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCCN2)CN1Cc1ccccc1 ZINC000627388366 484891450 /nfs/dbraw/zinc/89/14/50/484891450.db2.gz SJMNRMCOFARIAH-HYVNUMGLSA-N 0 3 360.458 -0.130 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCCN2)CN1Cc1ccccc1 ZINC000627388367 484891823 /nfs/dbraw/zinc/89/18/23/484891823.db2.gz SJMNRMCOFARIAH-OIISXLGYSA-N 0 3 360.458 -0.130 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCCN2)CN1Cc1ccccc1 ZINC000627388368 484891371 /nfs/dbraw/zinc/89/13/71/484891371.db2.gz SJMNRMCOFARIAH-PVAVHDDUSA-N 0 3 360.458 -0.130 20 0 FBADHN CCOC1CC(CNC(=O)C(=O)N(CC)CCN)(N2CCOCC2)C1 ZINC000627389156 484890644 /nfs/dbraw/zinc/89/06/44/484890644.db2.gz UIQBTFKKPFANOK-UHFFFAOYSA-N 0 3 356.467 -0.820 20 0 FBADHN O=C(NC[C@H]1COCCN1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000627390622 484891092 /nfs/dbraw/zinc/89/10/92/484891092.db2.gz RKRPHUUZXXQXFJ-KRWDZBQOSA-N 0 3 360.458 -0.128 20 0 FBADHN O=C(NC[C@@H]1COCCN1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000627390623 484891598 /nfs/dbraw/zinc/89/15/98/484891598.db2.gz RKRPHUUZXXQXFJ-QGZVFWFLSA-N 0 3 360.458 -0.128 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC000627392772 484892575 /nfs/dbraw/zinc/89/25/75/484892575.db2.gz FDUKTSATAPBMIG-CYBMUJFWSA-N 0 3 356.467 -0.903 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC000627392773 484893001 /nfs/dbraw/zinc/89/30/01/484893001.db2.gz FDUKTSATAPBMIG-ZDUSSCGKSA-N 0 3 356.467 -0.903 20 0 FBADHN CN(CCNC(=O)C(=O)NC[C@H]1COCCN1)Cc1ccc(F)cc1 ZINC000627394179 485159978 /nfs/dbraw/zinc/15/99/78/485159978.db2.gz ZJOXUIXNMGLAMZ-HNNXBMFYSA-N 0 3 352.410 -0.522 20 0 FBADHN CN(CCNC(=O)C(=O)NC[C@@H]1COCCN1)Cc1ccc(F)cc1 ZINC000627394180 485160518 /nfs/dbraw/zinc/16/05/18/485160518.db2.gz ZJOXUIXNMGLAMZ-OAHLLOKOSA-N 0 3 352.410 -0.522 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000627398083 484894311 /nfs/dbraw/zinc/89/43/11/484894311.db2.gz CMRIDYLEHUHMQK-CVEARBPZSA-N 0 3 353.511 -0.558 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000627398084 484893781 /nfs/dbraw/zinc/89/37/81/484893781.db2.gz CMRIDYLEHUHMQK-HOTGVXAUSA-N 0 3 353.511 -0.558 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000627398085 484894053 /nfs/dbraw/zinc/89/40/53/484894053.db2.gz CMRIDYLEHUHMQK-HZPDHXFCSA-N 0 3 353.511 -0.558 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000627398086 484894683 /nfs/dbraw/zinc/89/46/83/484894683.db2.gz CMRIDYLEHUHMQK-JKSUJKDBSA-N 0 3 353.511 -0.558 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000627398777 484894371 /nfs/dbraw/zinc/89/43/71/484894371.db2.gz WNKJXRFOCMWDHP-DLBZAZTESA-N 0 3 367.538 -0.167 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000627398778 484894642 /nfs/dbraw/zinc/89/46/42/484894642.db2.gz WNKJXRFOCMWDHP-IAGOWNOFSA-N 0 3 367.538 -0.167 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000627398779 484894408 /nfs/dbraw/zinc/89/44/08/484894408.db2.gz WNKJXRFOCMWDHP-IRXDYDNUSA-N 0 3 367.538 -0.167 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000627398780 484894900 /nfs/dbraw/zinc/89/49/00/484894900.db2.gz WNKJXRFOCMWDHP-SJORKVTESA-N 0 3 367.538 -0.167 20 0 FBADHN CCOC[C@@H]1CN(C(=O)C(=O)NCCCNCc2cccnc2)CCO1 ZINC000627401130 484894763 /nfs/dbraw/zinc/89/47/63/484894763.db2.gz NHOUAVSHLUWMRI-INIZCTEOSA-N 0 3 364.446 -0.059 20 0 FBADHN CCOC[C@H]1CN(C(=O)C(=O)NCCCNCc2cccnc2)CCO1 ZINC000627401131 484895801 /nfs/dbraw/zinc/89/58/01/484895801.db2.gz NHOUAVSHLUWMRI-MRXNPFEDSA-N 0 3 364.446 -0.059 20 0 FBADHN N[C@@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)c1ccccc1 ZINC000627406577 484896297 /nfs/dbraw/zinc/89/62/97/484896297.db2.gz LIOUXIDBYVSIRL-AWEZNQCLSA-N 0 3 355.402 -0.664 20 0 FBADHN N[C@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)c1ccccc1 ZINC000627406578 484895690 /nfs/dbraw/zinc/89/56/90/484895690.db2.gz LIOUXIDBYVSIRL-CQSZACIVSA-N 0 3 355.402 -0.664 20 0 FBADHN O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)C(=O)NC1CNC1 ZINC000627407283 483631019 /nfs/dbraw/zinc/63/10/19/483631019.db2.gz MPXKFRFYAZEFGB-AWEZNQCLSA-N 0 3 352.822 -0.251 20 0 FBADHN O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)C(=O)NC1CNC1 ZINC000627407284 483632047 /nfs/dbraw/zinc/63/20/47/483632047.db2.gz MPXKFRFYAZEFGB-CQSZACIVSA-N 0 3 352.822 -0.251 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627409413 484897192 /nfs/dbraw/zinc/89/71/92/484897192.db2.gz CBDNISQDCMIQBC-CHWSQXEVSA-N 0 3 374.449 -0.691 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627409414 484897469 /nfs/dbraw/zinc/89/74/69/484897469.db2.gz CBDNISQDCMIQBC-OLZOCXBDSA-N 0 3 374.449 -0.691 20 0 FBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627409415 484897666 /nfs/dbraw/zinc/89/76/66/484897666.db2.gz CBDNISQDCMIQBC-QWHCGFSZSA-N 0 3 374.449 -0.691 20 0 FBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627409416 484897074 /nfs/dbraw/zinc/89/70/74/484897074.db2.gz CBDNISQDCMIQBC-STQMWFEESA-N 0 3 374.449 -0.691 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCO1 ZINC000627409601 484896971 /nfs/dbraw/zinc/89/69/71/484896971.db2.gz IQXFVCRKQTZDOS-KBPBESRZSA-N 0 3 369.466 -0.833 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCO1 ZINC000627409602 484897002 /nfs/dbraw/zinc/89/70/02/484897002.db2.gz IQXFVCRKQTZDOS-KGLIPLIRSA-N 0 3 369.466 -0.833 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CCO1 ZINC000627409603 484897244 /nfs/dbraw/zinc/89/72/44/484897244.db2.gz IQXFVCRKQTZDOS-UONOGXRCSA-N 0 3 369.466 -0.833 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CCO1 ZINC000627409604 484897166 /nfs/dbraw/zinc/89/71/66/484897166.db2.gz IQXFVCRKQTZDOS-ZIAGYGMSSA-N 0 3 369.466 -0.833 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN(c2nccnn2)CC1)C1CCCCC1 ZINC000627410074 484897630 /nfs/dbraw/zinc/89/76/30/484897630.db2.gz WNENPUAUQIBSAY-AWEZNQCLSA-N 0 3 361.450 -0.456 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN(c2nccnn2)CC1)C1CCCCC1 ZINC000627410075 484897349 /nfs/dbraw/zinc/89/73/49/484897349.db2.gz WNENPUAUQIBSAY-CQSZACIVSA-N 0 3 361.450 -0.456 20 0 FBADHN NC[C@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627412494 484896841 /nfs/dbraw/zinc/89/68/41/484896841.db2.gz NJMYUASXDBNCHD-CVEARBPZSA-N 0 3 361.446 -0.748 20 0 FBADHN NC[C@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627412495 484897222 /nfs/dbraw/zinc/89/72/22/484897222.db2.gz NJMYUASXDBNCHD-HOTGVXAUSA-N 0 3 361.446 -0.748 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627412496 484897776 /nfs/dbraw/zinc/89/77/76/484897776.db2.gz NJMYUASXDBNCHD-HZPDHXFCSA-N 0 3 361.446 -0.748 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627412497 484896813 /nfs/dbraw/zinc/89/68/13/484896813.db2.gz NJMYUASXDBNCHD-JKSUJKDBSA-N 0 3 361.446 -0.748 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000627412720 484897411 /nfs/dbraw/zinc/89/74/11/484897411.db2.gz SGKFUMLAHYKMCT-CHWSQXEVSA-N 0 3 368.478 -0.020 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000627412721 484896889 /nfs/dbraw/zinc/89/68/89/484896889.db2.gz SGKFUMLAHYKMCT-OLZOCXBDSA-N 0 3 368.478 -0.020 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000627412722 484897434 /nfs/dbraw/zinc/89/74/34/484897434.db2.gz SGKFUMLAHYKMCT-QWHCGFSZSA-N 0 3 368.478 -0.020 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000627412723 484897558 /nfs/dbraw/zinc/89/75/58/484897558.db2.gz SGKFUMLAHYKMCT-STQMWFEESA-N 0 3 368.478 -0.020 20 0 FBADHN O=C(NCc1ccc2c(c1)CNC2)C(=O)N1CCN(c2nccnn2)CC1 ZINC000627416160 484898400 /nfs/dbraw/zinc/89/84/00/484898400.db2.gz OKIWJTMMSDBQFS-UHFFFAOYSA-N 0 3 367.413 -0.560 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627417698 484898564 /nfs/dbraw/zinc/89/85/64/484898564.db2.gz DQDYBSWXYITRPU-CHWSQXEVSA-N 0 3 374.449 -0.547 20 0 FBADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627417699 484899209 /nfs/dbraw/zinc/89/92/09/484899209.db2.gz DQDYBSWXYITRPU-OLZOCXBDSA-N 0 3 374.449 -0.547 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627417700 484899331 /nfs/dbraw/zinc/89/93/31/484899331.db2.gz DQDYBSWXYITRPU-QWHCGFSZSA-N 0 3 374.449 -0.547 20 0 FBADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000627417701 484898667 /nfs/dbraw/zinc/89/86/67/484898667.db2.gz DQDYBSWXYITRPU-STQMWFEESA-N 0 3 374.449 -0.547 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000627417890 484899416 /nfs/dbraw/zinc/89/94/16/484899416.db2.gz HLLCOZQKWFSXQK-UHFFFAOYSA-N 0 3 351.329 -0.593 20 0 FBADHN COCCNCCNC(=O)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000627417951 484899014 /nfs/dbraw/zinc/89/90/14/484899014.db2.gz IXJRVIWAWOTRJX-KRWDZBQOSA-N 0 3 351.403 -0.315 20 0 FBADHN COCCNCCNC(=O)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000627417952 484899314 /nfs/dbraw/zinc/89/93/14/484899314.db2.gz IXJRVIWAWOTRJX-QGZVFWFLSA-N 0 3 351.403 -0.315 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000627418945 484899039 /nfs/dbraw/zinc/89/90/39/484899039.db2.gz HRTPUISMZJOAPO-UHFFFAOYSA-N 0 3 350.375 -0.900 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCNCCOC)CC1 ZINC000627419127 484898781 /nfs/dbraw/zinc/89/87/81/484898781.db2.gz MVUIXPMYDPQGRX-UHFFFAOYSA-N 0 3 370.494 -0.558 20 0 FBADHN COCCNCCNC(=O)C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000627419173 484510941 /nfs/dbraw/zinc/51/09/41/484510941.db2.gz OQMSEQQAJICYTP-UHFFFAOYSA-N 0 3 356.467 -0.948 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC(F)(F)CN)CC1 ZINC000627419464 484899246 /nfs/dbraw/zinc/89/92/46/484899246.db2.gz YIHUSJSBLDLELQ-UHFFFAOYSA-N 0 3 362.421 -0.200 20 0 FBADHN O=C(NCCc1cccc2c1OC(F)(F)O2)C(=O)NC[C@H]1CNCCO1 ZINC000627420327 484898384 /nfs/dbraw/zinc/89/83/84/484898384.db2.gz GAZFIKUGWOOGBK-LLVKDONJSA-N 0 3 371.340 -0.229 20 0 FBADHN O=C(NCCc1cccc2c1OC(F)(F)O2)C(=O)NC[C@@H]1CNCCO1 ZINC000627420328 484899193 /nfs/dbraw/zinc/89/91/93/484899193.db2.gz GAZFIKUGWOOGBK-NSHDSACASA-N 0 3 371.340 -0.229 20 0 FBADHN CC(C)(C)c1ncc2c(n1)CCN(C(=O)C(=O)NC[C@H]1CNCCO1)C2 ZINC000627420539 484899111 /nfs/dbraw/zinc/89/91/11/484899111.db2.gz KXHRICRZRBFNKO-CYBMUJFWSA-N 0 3 361.446 -0.237 20 0 FBADHN CC(C)(C)c1ncc2c(n1)CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)C2 ZINC000627420540 484898546 /nfs/dbraw/zinc/89/85/46/484898546.db2.gz KXHRICRZRBFNKO-ZDUSSCGKSA-N 0 3 361.446 -0.237 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000627420794 484899300 /nfs/dbraw/zinc/89/93/00/484899300.db2.gz SKBJKDLPXGMAGT-AWEZNQCLSA-N 0 3 371.441 -0.079 20 0 FBADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000627420795 484898913 /nfs/dbraw/zinc/89/89/13/484898913.db2.gz SKBJKDLPXGMAGT-CQSZACIVSA-N 0 3 371.441 -0.079 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000627421441 484900849 /nfs/dbraw/zinc/90/08/49/484900849.db2.gz JTCNWBYSTIWHQP-HNNXBMFYSA-N 0 3 368.478 -0.806 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000627421442 484900498 /nfs/dbraw/zinc/90/04/98/484900498.db2.gz JTCNWBYSTIWHQP-OAHLLOKOSA-N 0 3 368.478 -0.806 20 0 FBADHN Cc1cc(NCCNC(=O)C(=O)NC[C@H]2CNCCO2)nc(C(C)C)n1 ZINC000627421907 483770509 /nfs/dbraw/zinc/77/05/09/483770509.db2.gz WHFPWYDOEFIUSX-CYBMUJFWSA-N 0 3 364.450 -0.459 20 0 FBADHN Cc1cc(NCCNC(=O)C(=O)NC[C@@H]2CNCCO2)nc(C(C)C)n1 ZINC000627421908 483770481 /nfs/dbraw/zinc/77/04/81/483770481.db2.gz WHFPWYDOEFIUSX-ZDUSSCGKSA-N 0 3 364.450 -0.459 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[nH]n1 ZINC000627424808 484900528 /nfs/dbraw/zinc/90/05/28/484900528.db2.gz XGJUIKWIYITPBW-LLVKDONJSA-N 0 3 364.406 -0.878 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[nH]n1 ZINC000627424809 484900016 /nfs/dbraw/zinc/90/00/16/484900016.db2.gz XGJUIKWIYITPBW-NSHDSACASA-N 0 3 364.406 -0.878 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627428783 484901709 /nfs/dbraw/zinc/90/17/09/484901709.db2.gz OPPDENCJHYZFPH-CVEARBPZSA-N 0 3 352.479 -0.188 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000627428784 484901952 /nfs/dbraw/zinc/90/19/52/484901952.db2.gz OPPDENCJHYZFPH-HOTGVXAUSA-N 0 3 352.479 -0.188 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627428785 484537010 /nfs/dbraw/zinc/53/70/10/484537010.db2.gz OPPDENCJHYZFPH-HZPDHXFCSA-N 0 3 352.479 -0.188 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000627428786 484536354 /nfs/dbraw/zinc/53/63/54/484536354.db2.gz OPPDENCJHYZFPH-JKSUJKDBSA-N 0 3 352.479 -0.188 20 0 FBADHN COCCC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000627429985 484901656 /nfs/dbraw/zinc/90/16/56/484901656.db2.gz HNQYXRAVSMABCW-UHFFFAOYSA-N 0 3 351.407 -0.468 20 0 FBADHN CCN(CCN)C(=O)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000627430182 484902037 /nfs/dbraw/zinc/90/20/37/484902037.db2.gz NMSYEAQAYXKSGS-KRWDZBQOSA-N 0 3 361.490 -0.274 20 0 FBADHN CCN(CCN)C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000627430183 484626412 /nfs/dbraw/zinc/62/64/12/484626412.db2.gz NMSYEAQAYXKSGS-QGZVFWFLSA-N 0 3 361.490 -0.274 20 0 FBADHN COc1cccc2c1CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2 ZINC000627430225 484902252 /nfs/dbraw/zinc/90/22/52/484902252.db2.gz OULWMXUVMBBHPF-UHFFFAOYSA-N 0 3 357.370 -0.192 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3CO2)n1 ZINC000627430382 484901482 /nfs/dbraw/zinc/90/14/82/484901482.db2.gz VMAFEKJRDKLEHZ-AWEZNQCLSA-N 0 3 371.397 -0.485 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@]2(C)COc3ccccc3O2)[C@H](CN)C1 ZINC000627435634 484903710 /nfs/dbraw/zinc/90/37/10/484903710.db2.gz XOQPIEMQYISILB-ACJLOTCBSA-N 0 3 362.430 -0.566 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@]2(C)COc3ccccc3O2)[C@H](CN)C1 ZINC000627435635 484902808 /nfs/dbraw/zinc/90/28/08/484902808.db2.gz XOQPIEMQYISILB-FZKQIMNGSA-N 0 3 362.430 -0.566 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@]2(C)COc3ccccc3O2)[C@@H](CN)C1 ZINC000627435636 484903105 /nfs/dbraw/zinc/90/31/05/484903105.db2.gz XOQPIEMQYISILB-SCLBCKFNSA-N 0 3 362.430 -0.566 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@]2(C)COc3ccccc3O2)[C@@H](CN)C1 ZINC000627435637 484902715 /nfs/dbraw/zinc/90/27/15/484902715.db2.gz XOQPIEMQYISILB-UGSOOPFHSA-N 0 3 362.430 -0.566 20 0 FBADHN CCC[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)OCC ZINC000627436430 484903357 /nfs/dbraw/zinc/90/33/57/484903357.db2.gz UTACWRAGKYSRBU-QLFBSQMISA-N 0 3 351.451 -0.005 20 0 FBADHN CCC[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)OCC ZINC000627436431 484903657 /nfs/dbraw/zinc/90/36/57/484903657.db2.gz UTACWRAGKYSRBU-SOUVJXGZSA-N 0 3 351.451 -0.005 20 0 FBADHN Cn1ncc(C(F)(F)F)c1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000627436817 484902898 /nfs/dbraw/zinc/90/28/98/484902898.db2.gz DZOIODFIIBUOOT-SECBINFHSA-N 0 3 362.356 -0.844 20 0 FBADHN Cn1ncc(C(F)(F)F)c1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000627436818 484903094 /nfs/dbraw/zinc/90/30/94/484903094.db2.gz DZOIODFIIBUOOT-VIFPVBQESA-N 0 3 362.356 -0.844 20 0 FBADHN CNC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)c(OC)c1 ZINC000627436832 484903029 /nfs/dbraw/zinc/90/30/29/484903029.db2.gz FXJMTSJYMIXOSF-KRWDZBQOSA-N 0 3 366.418 -0.578 20 0 FBADHN CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)c(OC)c1 ZINC000627436833 484903167 /nfs/dbraw/zinc/90/31/67/484903167.db2.gz FXJMTSJYMIXOSF-QGZVFWFLSA-N 0 3 366.418 -0.578 20 0 FBADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000627436948 484903271 /nfs/dbraw/zinc/90/32/71/484903271.db2.gz IWLJAQNXDIHNFJ-INIZCTEOSA-N 0 3 361.406 -0.756 20 0 FBADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000627436949 484902955 /nfs/dbraw/zinc/90/29/55/484902955.db2.gz IWLJAQNXDIHNFJ-MRXNPFEDSA-N 0 3 361.406 -0.756 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC(c2nccn2C)c2nccn2C)[C@@H]1CN ZINC000627438335 484902919 /nfs/dbraw/zinc/90/29/19/484902919.db2.gz BXIALZYMRMIAPK-CHWSQXEVSA-N 0 3 373.461 -0.055 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NC(c2nccn2C)c2nccn2C)[C@H]1CN ZINC000627438336 484903495 /nfs/dbraw/zinc/90/34/95/484903495.db2.gz BXIALZYMRMIAPK-OLZOCXBDSA-N 0 3 373.461 -0.055 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NC(c2nccn2C)c2nccn2C)[C@@H]1CN ZINC000627438337 484903116 /nfs/dbraw/zinc/90/31/16/484903116.db2.gz BXIALZYMRMIAPK-QWHCGFSZSA-N 0 3 373.461 -0.055 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NC(c2nccn2C)c2nccn2C)[C@H]1CN ZINC000627438338 484903449 /nfs/dbraw/zinc/90/34/49/484903449.db2.gz BXIALZYMRMIAPK-STQMWFEESA-N 0 3 373.461 -0.055 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC(c2nccn2C)c2nccn2C)[C@H](CN)C1 ZINC000627439821 484904954 /nfs/dbraw/zinc/90/49/54/484904954.db2.gz VIAFIYGUWLPAIF-OLZOCXBDSA-N 0 3 373.461 -0.055 20 0 FBADHN O=C(NC1CNC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000627466690 484914834 /nfs/dbraw/zinc/91/48/34/484914834.db2.gz MORHCDVJJOBLFQ-LLVKDONJSA-N 0 3 354.769 -0.211 20 0 FBADHN O=C(NC1CNC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000627466691 484914461 /nfs/dbraw/zinc/91/44/61/484914461.db2.gz MORHCDVJJOBLFQ-NSHDSACASA-N 0 3 354.769 -0.211 20 0 FBADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000627467905 484915160 /nfs/dbraw/zinc/91/51/60/484915160.db2.gz CJVDOHOICGCMHE-DUVNUKRYSA-N 0 3 364.421 -0.474 20 0 FBADHN CN1CCOC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000627467906 484915178 /nfs/dbraw/zinc/91/51/78/484915178.db2.gz CJVDOHOICGCMHE-IVMMDQJWSA-N 0 3 364.421 -0.474 20 0 FBADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000627468118 484914692 /nfs/dbraw/zinc/91/46/92/484914692.db2.gz LBBDJOKRYXTVIO-HRCADAONSA-N 0 3 364.421 -0.474 20 0 FBADHN CN1CCOC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000627468119 484914478 /nfs/dbraw/zinc/91/44/78/484914478.db2.gz LBBDJOKRYXTVIO-OWCLPIDISA-N 0 3 364.421 -0.474 20 0 FBADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627469037 484914506 /nfs/dbraw/zinc/91/45/06/484914506.db2.gz KKOSRJBSIVGXQF-INIZCTEOSA-N 0 3 366.437 -0.180 20 0 FBADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627469038 484915121 /nfs/dbraw/zinc/91/51/21/484915121.db2.gz KKOSRJBSIVGXQF-MRXNPFEDSA-N 0 3 366.437 -0.180 20 0 FBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2COCCN2)o1 ZINC000627469177 484914741 /nfs/dbraw/zinc/91/47/41/484914741.db2.gz NNDCBQBNTGTNEU-AWEZNQCLSA-N 0 3 352.435 -0.417 20 0 FBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2COCCN2)o1 ZINC000627469178 484914228 /nfs/dbraw/zinc/91/42/28/484914228.db2.gz NNDCBQBNTGTNEU-CQSZACIVSA-N 0 3 352.435 -0.417 20 0 FBADHN CC1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)CC2)CC1 ZINC000627469332 484914921 /nfs/dbraw/zinc/91/49/21/484914921.db2.gz RDOUGPGHIQGCQD-HWOWSKLDSA-N 0 3 352.479 -0.186 20 0 FBADHN 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COc1cc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)cnc1OC ZINC000627513888 484866186 /nfs/dbraw/zinc/86/61/86/484866186.db2.gz ZMIAPVIFGMOAPN-UHFFFAOYSA-N 0 3 367.450 -0.011 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627514829 484938057 /nfs/dbraw/zinc/93/80/57/484938057.db2.gz NWHMUTZJUOFNJH-UHFFFAOYSA-N 0 3 365.430 -0.041 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000627525472 484941154 /nfs/dbraw/zinc/94/11/54/484941154.db2.gz APKMHBCPWYGPTH-UHFFFAOYSA-N 0 3 361.406 -0.490 20 0 FBADHN CNC(=O)c1ccc(NC(=O)C(=O)NCCOCCN(C)C)c(OC)c1 ZINC000627526024 484940780 /nfs/dbraw/zinc/94/07/80/484940780.db2.gz RVISSVFUTXBYHF-UHFFFAOYSA-N 0 3 366.418 -0.312 20 0 FBADHN COc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)[nH]n1 ZINC000627526940 484940810 /nfs/dbraw/zinc/94/08/10/484940810.db2.gz SZUOMYSHPUYOPB-NSHDSACASA-N 0 3 368.438 -0.435 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1CCCO ZINC000627569719 484948762 /nfs/dbraw/zinc/94/87/62/484948762.db2.gz DQDGMNOXJUKIOD-AWEZNQCLSA-N 0 3 370.494 -0.241 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1CCCO ZINC000627569720 484949102 /nfs/dbraw/zinc/94/91/02/484949102.db2.gz DQDGMNOXJUKIOD-CQSZACIVSA-N 0 3 370.494 -0.241 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1CCO ZINC000627574277 483927748 /nfs/dbraw/zinc/92/77/48/483927748.db2.gz ALQIDAMBMUUMIS-AWEZNQCLSA-N 0 3 370.494 -0.241 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H]1CCCCN1CCO ZINC000627574278 484949974 /nfs/dbraw/zinc/94/99/74/484949974.db2.gz ALQIDAMBMUUMIS-CQSZACIVSA-N 0 3 370.494 -0.241 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000627574736 484951710 /nfs/dbraw/zinc/95/17/10/484951710.db2.gz PABRWTXVECJABG-AWEZNQCLSA-N 0 3 370.494 -0.241 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000627574737 484951783 /nfs/dbraw/zinc/95/17/83/484951783.db2.gz PABRWTXVECJABG-CQSZACIVSA-N 0 3 370.494 -0.241 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nnnn4C)cc3)[C@@H]2C1 ZINC000627583321 484952592 /nfs/dbraw/zinc/95/25/92/484952592.db2.gz RYLGOTGEFNCZLI-GXTWGEPZSA-N 0 3 355.402 -0.022 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(-c3nnnn3C)cc2)C1 ZINC000627583322 484952983 /nfs/dbraw/zinc/95/29/83/484952983.db2.gz RYLGOTGEFNCZLI-JSGCOSHPSA-N 0 3 355.402 -0.022 20 0 FBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nnnn4C)cc3)[C@H]2C1 ZINC000627583323 484952531 /nfs/dbraw/zinc/95/25/31/484952531.db2.gz RYLGOTGEFNCZLI-OCCSQVGLSA-N 0 3 355.402 -0.022 20 0 FBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nnnn4C)cc3)[C@@H]2C1 ZINC000627583324 484952428 /nfs/dbraw/zinc/95/24/28/484952428.db2.gz RYLGOTGEFNCZLI-TZMCWYRMSA-N 0 3 355.402 -0.022 20 0 FBADHN COc1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)[nH]n1 ZINC000627584882 484953063 /nfs/dbraw/zinc/95/30/63/484953063.db2.gz UWIMCCHRKLGOLR-UHFFFAOYSA-N 0 3 366.422 -0.535 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnnn4C)cc3)C[C@@H]21 ZINC000627596268 484953601 /nfs/dbraw/zinc/95/36/01/484953601.db2.gz GHGFYPPBFDHVRT-OCCSQVGLSA-N 0 3 355.402 -0.022 20 0 FBADHN CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CCN(C)CC1 ZINC000627617971 484956425 /nfs/dbraw/zinc/95/64/25/484956425.db2.gz AYMVAFJQUUBVFZ-UHFFFAOYSA-N 0 3 371.463 -0.665 20 0 FBADHN CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C1CCN(C)CC1 ZINC000627619920 484956922 /nfs/dbraw/zinc/95/69/22/484956922.db2.gz ZLSMQZZTYODFAH-UHFFFAOYSA-N 0 3 357.480 -0.050 20 0 FBADHN CCN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000627620469 484956785 /nfs/dbraw/zinc/95/67/85/484956785.db2.gz YZENLBWFLWAKNN-DZGCQCFKSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000627620470 484956727 /nfs/dbraw/zinc/95/67/27/484956727.db2.gz YZENLBWFLWAKNN-HIFRSBDPSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000627620471 484956323 /nfs/dbraw/zinc/95/63/23/484956323.db2.gz YZENLBWFLWAKNN-UKRRQHHQSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000627620472 484956703 /nfs/dbraw/zinc/95/67/03/484956703.db2.gz YZENLBWFLWAKNN-ZFWWWQNUSA-N 0 3 371.503 -0.035 20 0 FBADHN CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCN(C)CC1 ZINC000627621347 484956382 /nfs/dbraw/zinc/95/63/82/484956382.db2.gz PESDRYNXSNHYQP-UHFFFAOYSA-N 0 3 362.434 -0.624 20 0 FBADHN CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCN(C)CC1 ZINC000627621525 484956288 /nfs/dbraw/zinc/95/62/88/484956288.db2.gz YKSHZEXGAUCURF-UHFFFAOYSA-N 0 3 362.434 -0.624 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627625745 484957861 /nfs/dbraw/zinc/95/78/61/484957861.db2.gz LSLNETYELINODN-LLVKDONJSA-N 0 3 354.386 -0.631 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627625746 484957603 /nfs/dbraw/zinc/95/76/03/484957603.db2.gz LSLNETYELINODN-NSHDSACASA-N 0 3 354.386 -0.631 20 0 FBADHN CCn1nc(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000627625815 484958169 /nfs/dbraw/zinc/95/81/69/484958169.db2.gz NJVVEWWGXAJVCN-GFCCVEGCSA-N 0 3 350.423 -0.272 20 0 FBADHN CCn1nc(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000627625816 484958494 /nfs/dbraw/zinc/95/84/94/484958494.db2.gz NJVVEWWGXAJVCN-LBPRGKRZSA-N 0 3 350.423 -0.272 20 0 FBADHN CCn1nc(C)cc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000627627703 484957698 /nfs/dbraw/zinc/95/76/98/484957698.db2.gz DXMKPXQLOCPHTI-UHFFFAOYSA-N 0 3 350.423 -0.618 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2cccc3c2OCC3)CC1=O ZINC000627627841 484957794 /nfs/dbraw/zinc/95/77/94/484957794.db2.gz JCBZESGEYKRNPA-UHFFFAOYSA-N 0 3 360.414 -0.208 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2cnn(CCF)c2)CC1=O ZINC000627628142 484958202 /nfs/dbraw/zinc/95/82/02/484958202.db2.gz RPQPQHRZSXFULL-UHFFFAOYSA-N 0 3 354.386 -0.977 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H]1c1nccn1C ZINC000627632433 484958397 /nfs/dbraw/zinc/95/83/97/484958397.db2.gz HPHIKTHTGKUYBK-XRGAULLZSA-N 0 3 361.446 -0.129 20 0 FBADHN C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C[C@H]21 ZINC000627645789 484960963 /nfs/dbraw/zinc/96/09/63/484960963.db2.gz PUORPNQCBGUGMJ-VROVMSAKSA-N 0 3 357.208 -0.270 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627645876 484960060 /nfs/dbraw/zinc/96/00/60/484960060.db2.gz SZDLPHINFRRSNC-FTYKPCCVSA-N 0 3 356.448 -0.023 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1C ZINC000627649863 484959991 /nfs/dbraw/zinc/95/99/91/484959991.db2.gz OHXPVWFNWWLVAK-JYAVWHMHSA-N 0 3 355.464 -0.585 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000627736320 484969037 /nfs/dbraw/zinc/96/90/37/484969037.db2.gz UOECUJYJICGKFD-KBPBESRZSA-N 0 3 365.430 -0.375 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000627736700 484969464 /nfs/dbraw/zinc/96/94/64/484969464.db2.gz KNWALQBKXVXGHZ-KBPBESRZSA-N 0 3 365.430 -0.375 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1F ZINC000627737545 484969344 /nfs/dbraw/zinc/96/93/44/484969344.db2.gz AJWDBJBDWYDXJE-STQMWFEESA-N 0 3 355.366 -0.731 20 0 FBADHN COc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)ccc1OCCN(C)C ZINC000627737753 484970297 /nfs/dbraw/zinc/97/02/97/484970297.db2.gz OJMSMLFWXBNVOW-STQMWFEESA-N 0 3 367.402 -0.862 20 0 FBADHN Cn1c(=O)ccn(CC(=O)N2CCC(N3CCCOCC3)CC2)c1=O ZINC000627738955 484970711 /nfs/dbraw/zinc/97/07/11/484970711.db2.gz PGBCLXHXFHAJGS-UHFFFAOYSA-N 0 3 350.419 -0.740 20 0 FBADHN CCN1CCN(CC(=O)N2CCC(N3CCCOCC3)CC2)C(=O)C1=O ZINC000627739108 484970924 /nfs/dbraw/zinc/97/09/24/484970924.db2.gz YMPGLUPECFHCTH-UHFFFAOYSA-N 0 3 366.462 -0.610 20 0 FBADHN NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(N3CCCOCC3)CC2)C1 ZINC000627742089 484970948 /nfs/dbraw/zinc/97/09/48/484970948.db2.gz IIIXACABSOMMJM-AWEZNQCLSA-N 0 3 374.507 -0.385 20 0 FBADHN NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(N3CCCOCC3)CC2)C1 ZINC000627742090 484970750 /nfs/dbraw/zinc/97/07/50/484970750.db2.gz IIIXACABSOMMJM-CQSZACIVSA-N 0 3 374.507 -0.385 20 0 FBADHN CN1CCC(CNC(=O)c2cn3c(n2)COCC3)(N2CCOCC2)CC1 ZINC000627744077 484970911 /nfs/dbraw/zinc/97/09/11/484970911.db2.gz BVOMQBCFEVHKEV-UHFFFAOYSA-N 0 3 363.462 -0.060 20 0 FBADHN C[C@@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCC(=O)N1 ZINC000627744250 484970810 /nfs/dbraw/zinc/97/08/10/484970810.db2.gz IBZMTIIKMXRHRI-CABCVRRESA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCC(=O)N1 ZINC000627744251 484970562 /nfs/dbraw/zinc/97/05/62/484970562.db2.gz IBZMTIIKMXRHRI-GJZGRUSLSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCC(=O)N1 ZINC000627744252 484970549 /nfs/dbraw/zinc/97/05/49/484970549.db2.gz IBZMTIIKMXRHRI-HUUCEWRRSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H](C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCC(=O)N1 ZINC000627744253 484970864 /nfs/dbraw/zinc/97/08/64/484970864.db2.gz IBZMTIIKMXRHRI-LSDHHAIUSA-N 0 3 352.479 -0.186 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2CC=CC2)cn1 ZINC000627750342 484972526 /nfs/dbraw/zinc/97/25/26/484972526.db2.gz HPPCSCWEKLFGPU-UHFFFAOYSA-N 0 3 362.434 -0.418 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1)S(N)(=O)=O ZINC000627753146 484973141 /nfs/dbraw/zinc/97/31/41/484973141.db2.gz JRPAVJKJYAJJST-AAEUAGOBSA-N 0 3 360.480 -0.697 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C1CCCCC1)S(N)(=O)=O ZINC000627753147 484973558 /nfs/dbraw/zinc/97/35/58/484973558.db2.gz JRPAVJKJYAJJST-DGCLKSJQSA-N 0 3 360.480 -0.697 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C1CCCCC1)S(N)(=O)=O ZINC000627753148 484973624 /nfs/dbraw/zinc/97/36/24/484973624.db2.gz JRPAVJKJYAJJST-WCQYABFASA-N 0 3 360.480 -0.697 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1)S(N)(=O)=O ZINC000627753149 484973391 /nfs/dbraw/zinc/97/33/91/484973391.db2.gz JRPAVJKJYAJJST-YPMHNXCESA-N 0 3 360.480 -0.697 20 0 FBADHN NC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)cn1 ZINC000627754905 484973069 /nfs/dbraw/zinc/97/30/69/484973069.db2.gz MBTOUROLLBUXDI-AWEZNQCLSA-N 0 3 362.434 -0.170 20 0 FBADHN NC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)cn1 ZINC000627754906 484973537 /nfs/dbraw/zinc/97/35/37/484973537.db2.gz MBTOUROLLBUXDI-CQSZACIVSA-N 0 3 362.434 -0.170 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CC(NS(C)(=O)=O)C2)ccc1CN(C)C ZINC000627838239 484991491 /nfs/dbraw/zinc/99/14/91/484991491.db2.gz NCORQJOCSXDDLU-UHFFFAOYSA-N 0 3 368.459 -0.245 20 0 FBADHN CN(C)CCc1ccccc1NC(=O)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000627838421 484992072 /nfs/dbraw/zinc/99/20/72/484992072.db2.gz WBACPNQSADPEGB-UHFFFAOYSA-N 0 3 368.459 -0.511 20 0 FBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000627838624 484992627 /nfs/dbraw/zinc/99/26/27/484992627.db2.gz GNHCDRQRVBAPLL-UHFFFAOYSA-N 0 3 368.459 -0.245 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC(NS(C)(=O)=O)C2)c1 ZINC000627839569 484993764 /nfs/dbraw/zinc/99/37/64/484993764.db2.gz RIJAJRMEJYJAFJ-UHFFFAOYSA-N 0 3 354.432 -0.553 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(C2CC2)C2CC2)cn1 ZINC000627841172 484994084 /nfs/dbraw/zinc/99/40/84/484994084.db2.gz MFXSCIKQFXUCTF-UHFFFAOYSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000627848492 484994341 /nfs/dbraw/zinc/99/43/41/484994341.db2.gz LLTCCPLFBYNLAE-ZDUSSCGKSA-N 0 3 350.423 -0.538 20 0 FBADHN CCC(F)(F)CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000627849936 484995071 /nfs/dbraw/zinc/99/50/71/484995071.db2.gz FXESMHVMYPNCNM-UHFFFAOYSA-N 0 3 374.392 -0.339 20 0 FBADHN CCOC[C@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CCO1 ZINC000627860590 484422537 /nfs/dbraw/zinc/42/25/37/484422537.db2.gz LEBHRGIVVXHGOY-CYBMUJFWSA-N 0 3 353.423 -0.353 20 0 FBADHN CCOC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CCO1 ZINC000627860591 484420454 /nfs/dbraw/zinc/42/04/54/484420454.db2.gz LEBHRGIVVXHGOY-ZDUSSCGKSA-N 0 3 353.423 -0.353 20 0 FBADHN CCOC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CCO1 ZINC000627861126 483572306 /nfs/dbraw/zinc/57/23/06/483572306.db2.gz 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C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000627921903 483879275 /nfs/dbraw/zinc/87/92/75/483879275.db2.gz NNGPEAGHVBMWIS-OLZOCXBDSA-N 0 3 362.434 -0.649 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000627921904 483879281 /nfs/dbraw/zinc/87/92/81/483879281.db2.gz NNGPEAGHVBMWIS-QWHCGFSZSA-N 0 3 362.434 -0.649 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000627921905 483879306 /nfs/dbraw/zinc/87/93/06/483879306.db2.gz NNGPEAGHVBMWIS-STQMWFEESA-N 0 3 362.434 -0.649 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)CCO2 ZINC000627966108 485006138 /nfs/dbraw/zinc/00/61/38/485006138.db2.gz NREVPEXZNAPKHU-AWEZNQCLSA-N 0 3 359.492 -0.019 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1CC[C@@H](O)C1 ZINC000627980326 485005640 /nfs/dbraw/zinc/00/56/40/485005640.db2.gz CXPSDGZVNVZJAF-CQSZACIVSA-N 0 3 364.446 -0.122 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)cc1 ZINC000627980449 485006965 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Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000627984190 485007573 /nfs/dbraw/zinc/00/75/73/485007573.db2.gz PLIMZWDJZHOYNF-UHFFFAOYSA-N 0 3 357.432 -0.162 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1=O ZINC000627984202 485008596 /nfs/dbraw/zinc/00/85/96/485008596.db2.gz PQIBINLACZLOEO-CYBMUJFWSA-N 0 3 362.434 -0.995 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1=O ZINC000627984203 485007848 /nfs/dbraw/zinc/00/78/48/485007848.db2.gz PQIBINLACZLOEO-ZDUSSCGKSA-N 0 3 362.434 -0.995 20 0 FBADHN COc1ccc(COCC(=O)N2CCN(CCN(C)C)C(=O)C2)cn1 ZINC000627984430 485008461 /nfs/dbraw/zinc/00/84/61/485008461.db2.gz VESHLLAUBFRALF-UHFFFAOYSA-N 0 3 350.419 -0.161 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1=O ZINC000627984556 485008301 /nfs/dbraw/zinc/00/83/01/485008301.db2.gz XMQICRYPCYHYQK-UHFFFAOYSA-N 0 3 360.414 -0.112 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1=O ZINC000627984589 485008278 /nfs/dbraw/zinc/00/82/78/485008278.db2.gz 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CN1C(=O)CN(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1=O ZINC000628060706 483500757 /nfs/dbraw/zinc/50/07/57/483500757.db2.gz UYCFRRPYOSHEDY-HNNXBMFYSA-N 0 3 360.414 -0.237 20 0 FBADHN CN1C(=O)CN(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1=O ZINC000628060707 483500963 /nfs/dbraw/zinc/50/09/63/483500963.db2.gz UYCFRRPYOSHEDY-OAHLLOKOSA-N 0 3 360.414 -0.237 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccnc(N2CCOCC2)n1 ZINC000628082393 483621060 /nfs/dbraw/zinc/62/10/60/483621060.db2.gz TXCCSRHGIFDYOO-UHFFFAOYSA-N 0 3 364.450 -0.595 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000628082433 483620663 /nfs/dbraw/zinc/62/06/63/483620663.db2.gz UVKNWWSEVNDIRU-ZDUSSCGKSA-N 0 3 362.496 -0.864 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000628082547 483620363 /nfs/dbraw/zinc/62/03/63/483620363.db2.gz XZSHWAYSOKWXCM-CYBMUJFWSA-N 0 3 364.450 -0.749 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000628082548 483620785 /nfs/dbraw/zinc/62/07/85/483620785.db2.gz XZSHWAYSOKWXCM-ZDUSSCGKSA-N 0 3 364.450 -0.749 20 0 FBADHN CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000628091259 483721802 /nfs/dbraw/zinc/72/18/02/483721802.db2.gz GVRINEWAUUNYSU-HNNXBMFYSA-N 0 3 364.450 -0.100 20 0 FBADHN CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000628091260 483721744 /nfs/dbraw/zinc/72/17/44/483721744.db2.gz GVRINEWAUUNYSU-OAHLLOKOSA-N 0 3 364.450 -0.100 20 0 FBADHN CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000628091579 484101585 /nfs/dbraw/zinc/10/15/85/484101585.db2.gz ONUNRQJJNNRGQO-AWEZNQCLSA-N 0 3 364.450 -0.100 20 0 FBADHN CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000628091580 484102231 /nfs/dbraw/zinc/10/22/31/484102231.db2.gz ONUNRQJJNNRGQO-CQSZACIVSA-N 0 3 364.450 -0.100 20 0 FBADHN COC[C@]1(C)CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CCO1 ZINC000628101291 484365354 /nfs/dbraw/zinc/36/53/54/484365354.db2.gz RSZYVVPIPDFZQC-INIZCTEOSA-N 0 3 353.423 -0.353 20 0 FBADHN 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484441392 /nfs/dbraw/zinc/44/13/92/484441392.db2.gz VFEWQHVJJILUMJ-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCN[C@@H](C)C2)CC1 ZINC000629807134 484442474 /nfs/dbraw/zinc/44/24/74/484442474.db2.gz AOUGWOXJWPBTJH-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCN[C@H](C)C2)CC1 ZINC000629807139 484442291 /nfs/dbraw/zinc/44/22/91/484442291.db2.gz AOUGWOXJWPBTJH-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000629807199 484442487 /nfs/dbraw/zinc/44/24/87/484442487.db2.gz PNORMCFGKUSXAZ-UHFFFAOYSA-N 0 3 365.409 -0.620 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](CCF)C3)C2)nn1 ZINC000629807311 484442667 /nfs/dbraw/zinc/44/26/67/484442667.db2.gz BZEDDIMUXNPYOD-KBPBESRZSA-N 0 3 368.413 -0.513 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](CCF)C3)C2)nn1 ZINC000629807312 484442185 /nfs/dbraw/zinc/44/21/85/484442185.db2.gz BZEDDIMUXNPYOD-KGLIPLIRSA-N 0 3 368.413 -0.513 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCO[C@H](CCF)C3)C2)nn1 ZINC000629807314 484442819 /nfs/dbraw/zinc/44/28/19/484442819.db2.gz BZEDDIMUXNPYOD-UONOGXRCSA-N 0 3 368.413 -0.513 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCO[C@H](CCF)C3)C2)nn1 ZINC000629807316 484442609 /nfs/dbraw/zinc/44/26/09/484442609.db2.gz BZEDDIMUXNPYOD-ZIAGYGMSSA-N 0 3 368.413 -0.513 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629807421 484442270 /nfs/dbraw/zinc/44/22/70/484442270.db2.gz ZHFVJROUJDRTQN-DZGCQCFKSA-N 0 3 360.414 -0.826 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629807423 484442495 /nfs/dbraw/zinc/44/24/95/484442495.db2.gz ZHFVJROUJDRTQN-HIFRSBDPSA-N 0 3 360.414 -0.826 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629807425 484442649 /nfs/dbraw/zinc/44/26/49/484442649.db2.gz ZHFVJROUJDRTQN-UKRRQHHQSA-N 0 3 360.414 -0.826 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629807427 484442790 /nfs/dbraw/zinc/44/27/90/484442790.db2.gz ZHFVJROUJDRTQN-ZFWWWQNUSA-N 0 3 360.414 -0.826 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@H](CCF)C3)C[C@H]2N)cn1 ZINC000629807715 484442556 /nfs/dbraw/zinc/44/25/56/484442556.db2.gz CXOKWODGXHYMMT-HZSPNIEDSA-N 0 3 353.398 -0.740 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](CCF)C3)C[C@H]2N)cn1 ZINC000629807719 484441932 /nfs/dbraw/zinc/44/19/32/484441932.db2.gz CXOKWODGXHYMMT-MELADBBJSA-N 0 3 353.398 -0.740 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C[C@H]2N)cn1 ZINC000629808170 484442882 /nfs/dbraw/zinc/44/28/82/484442882.db2.gz GUFATHHTJNOZFN-OIPACUDHSA-N 0 3 361.446 -0.706 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000629809930 484443794 /nfs/dbraw/zinc/44/37/94/484443794.db2.gz UXEPLDZAXTZGRA-UHFFFAOYSA-N 0 3 369.429 -0.492 20 0 FBADHN COCCC1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000629810171 484443130 /nfs/dbraw/zinc/44/31/30/484443130.db2.gz XELPMJKDRPBKGN-JKSUJKDBSA-N 0 3 363.462 -0.052 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000629811513 484443387 /nfs/dbraw/zinc/44/33/87/484443387.db2.gz FZKPAZVSARDZID-INIZCTEOSA-N 0 3 352.479 -0.234 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000629811514 484444095 /nfs/dbraw/zinc/44/40/95/484444095.db2.gz FZKPAZVSARDZID-MRXNPFEDSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000629811651 484442807 /nfs/dbraw/zinc/44/28/07/484442807.db2.gz AXUHLIWRVKJCAB-IUCAKERBSA-N 0 3 359.370 -0.773 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000629811725 484442065 /nfs/dbraw/zinc/44/20/65/484442065.db2.gz JQOOHVGYGNPFAS-UHFFFAOYSA-N 0 3 364.450 -0.804 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000629811744 484442102 /nfs/dbraw/zinc/44/21/02/484442102.db2.gz KBMSDVDUPOUREQ-UHFFFAOYSA-N 0 3 358.446 -0.214 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000629811774 484442372 /nfs/dbraw/zinc/44/23/72/484442372.db2.gz DQBJBCKGBIUBPM-SJORKVTESA-N 0 3 360.458 -0.095 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000629811775 484442679 /nfs/dbraw/zinc/44/26/79/484442679.db2.gz KNSYMRQHQZYAMI-HNNXBMFYSA-N 0 3 361.446 -0.836 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000629811778 484442726 /nfs/dbraw/zinc/44/27/26/484442726.db2.gz KNSYMRQHQZYAMI-OAHLLOKOSA-N 0 3 361.446 -0.836 20 0 FBADHN CCN(CCN)C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000629813578 484447031 /nfs/dbraw/zinc/44/70/31/484447031.db2.gz KLRMILHJVDCFMP-GASCZTMLSA-N 0 3 372.425 -0.563 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000629813820 484443993 /nfs/dbraw/zinc/44/39/93/484443993.db2.gz KBXZKYRWNYVTDR-INIZCTEOSA-N 0 3 353.511 -0.461 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000629813821 484443159 /nfs/dbraw/zinc/44/31/59/484443159.db2.gz KBXZKYRWNYVTDR-MRXNPFEDSA-N 0 3 353.511 -0.461 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000629814214 484445761 /nfs/dbraw/zinc/44/57/61/484445761.db2.gz MEEWBKUTZOQFRY-CVEARBPZSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000629814215 484445461 /nfs/dbraw/zinc/44/54/61/484445461.db2.gz MEEWBKUTZOQFRY-HOTGVXAUSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000629814216 484445091 /nfs/dbraw/zinc/44/50/91/484445091.db2.gz MEEWBKUTZOQFRY-HZPDHXFCSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000629814217 484444865 /nfs/dbraw/zinc/44/48/65/484444865.db2.gz MEEWBKUTZOQFRY-JKSUJKDBSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000629815683 484445714 /nfs/dbraw/zinc/44/57/14/484445714.db2.gz SDZKACZYDCKVDR-CABCVRRESA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000629815684 484446047 /nfs/dbraw/zinc/44/60/47/484446047.db2.gz SDZKACZYDCKVDR-GJZGRUSLSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000629815685 484445673 /nfs/dbraw/zinc/44/56/73/484445673.db2.gz SDZKACZYDCKVDR-HUUCEWRRSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000629815686 484446135 /nfs/dbraw/zinc/44/61/35/484446135.db2.gz SDZKACZYDCKVDR-LSDHHAIUSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000629816080 484444795 /nfs/dbraw/zinc/44/47/95/484444795.db2.gz UUZRCNSZSBVMJL-DLBZAZTESA-N 0 3 365.522 -0.319 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000629816081 484445303 /nfs/dbraw/zinc/44/53/03/484445303.db2.gz UUZRCNSZSBVMJL-IAGOWNOFSA-N 0 3 365.522 -0.319 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000629816082 484446208 /nfs/dbraw/zinc/44/62/08/484446208.db2.gz UUZRCNSZSBVMJL-IRXDYDNUSA-N 0 3 365.522 -0.319 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000629816083 484445932 /nfs/dbraw/zinc/44/59/32/484445932.db2.gz UUZRCNSZSBVMJL-SJORKVTESA-N 0 3 365.522 -0.319 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(N3CCOCC3)CC2)C[C@H](C)N1 ZINC000629817150 484448877 /nfs/dbraw/zinc/44/88/77/484448877.db2.gz KXQUXVXHSYIMBL-GASCZTMLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(C)(N3CCOCC3)CC2)C[C@H](C)N1 ZINC000629817151 484448622 /nfs/dbraw/zinc/44/86/22/484448622.db2.gz KXQUXVXHSYIMBL-GJZGRUSLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(N3CCOCC3)CC2)C[C@@H](C)N1 ZINC000629817152 484448407 /nfs/dbraw/zinc/44/84/07/484448407.db2.gz KXQUXVXHSYIMBL-HUUCEWRRSA-N 0 3 352.479 -0.092 20 0 FBADHN CC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000629818227 484447083 /nfs/dbraw/zinc/44/70/83/484447083.db2.gz MRTZXMBOXYZTCA-ZIAGYGMSSA-N 0 3 356.442 -0.403 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000629818273 484447328 /nfs/dbraw/zinc/44/73/28/484447328.db2.gz NVBTUTPDWSGCHZ-KBPBESRZSA-N 0 3 350.423 -0.462 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000629818274 484447315 /nfs/dbraw/zinc/44/73/15/484447315.db2.gz NVBTUTPDWSGCHZ-KGLIPLIRSA-N 0 3 350.423 -0.462 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000629818275 484447495 /nfs/dbraw/zinc/44/74/95/484447495.db2.gz NVBTUTPDWSGCHZ-UONOGXRCSA-N 0 3 350.423 -0.462 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000629818276 484447622 /nfs/dbraw/zinc/44/76/22/484447622.db2.gz NVBTUTPDWSGCHZ-ZIAGYGMSSA-N 0 3 350.423 -0.462 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000629888806 484461593 /nfs/dbraw/zinc/46/15/93/484461593.db2.gz HJCHBRMVTGRWNT-KBPBESRZSA-N 0 3 374.507 -0.816 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000629888809 484462467 /nfs/dbraw/zinc/46/24/67/484462467.db2.gz HJCHBRMVTGRWNT-KGLIPLIRSA-N 0 3 374.507 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FBADHN CN(C)CCN1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000630572180 484725849 /nfs/dbraw/zinc/72/58/49/484725849.db2.gz BMJNDKSKXCTIQF-INIZCTEOSA-N 0 3 373.457 -0.167 20 0 FBADHN O=S(=O)(NCc1cn(Cc2ccc(F)cc2)nn1)N1CCNCC1 ZINC000630584898 484735867 /nfs/dbraw/zinc/73/58/67/484735867.db2.gz FKTFDBMSXRIXHX-UHFFFAOYSA-N 0 3 354.411 -0.295 20 0 FBADHN O=S(=O)(NCc1cn(-c2ccc(F)cc2F)nn1)N1CCNCC1 ZINC000630585379 484736047 /nfs/dbraw/zinc/73/60/47/484736047.db2.gz LWGJSFYMMBVBHC-UHFFFAOYSA-N 0 3 358.374 -0.215 20 0 FBADHN O=S(=O)(NCc1cn(-c2ccc(F)c(F)c2)nn1)N1CCNCC1 ZINC000630586003 484736226 /nfs/dbraw/zinc/73/62/26/484736226.db2.gz INLDYNMXMOGLMJ-UHFFFAOYSA-N 0 3 358.374 -0.215 20 0 FBADHN O=S(=O)(NCc1cn(Cc2cccc(F)c2)nn1)N1CCNCC1 ZINC000630586273 484735629 /nfs/dbraw/zinc/73/56/29/484735629.db2.gz WEPIOYNPBLQJPR-UHFFFAOYSA-N 0 3 354.411 -0.295 20 0 FBADHN O=S(=O)(NCc1cn(-c2cc(F)ccc2F)nn1)N1CCNCC1 ZINC000630586489 484736754 /nfs/dbraw/zinc/73/67/54/484736754.db2.gz YDZPFBDPWTXWJW-UHFFFAOYSA-N 0 3 358.374 -0.215 20 0 FBADHN Cc1ccccc1Cn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000630586502 484737730 /nfs/dbraw/zinc/73/77/30/484737730.db2.gz YMNLDZXSRPIXHJ-UHFFFAOYSA-N 0 3 350.448 -0.126 20 0 FBADHN Cc1ccc(Cn2cc(CNS(=O)(=O)N3CCNCC3)nn2)cc1 ZINC000630586695 484737464 /nfs/dbraw/zinc/73/74/64/484737464.db2.gz YZUVDMALXLFSQC-UHFFFAOYSA-N 0 3 350.448 -0.126 20 0 FBADHN O=S(=O)(NCc1cn(CCc2ccccc2)nn1)N1CCNCC1 ZINC000630586873 484737000 /nfs/dbraw/zinc/73/70/00/484737000.db2.gz NFIISGVQEJUSME-UHFFFAOYSA-N 0 3 350.448 -0.240 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(Cc2ccc3c(c2)OCO3)nn1 ZINC000630589187 484737685 /nfs/dbraw/zinc/73/76/85/484737685.db2.gz PCSYADAPMGJJEF-UHFFFAOYSA-N 0 3 358.402 -0.424 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(CCn2cnc3ccccc32)nn1 ZINC000630589310 484736738 /nfs/dbraw/zinc/73/67/38/484736738.db2.gz FPRAVMGOTRJTBG-UHFFFAOYSA-N 0 3 368.445 -0.151 20 0 FBADHN Cc1ccc2nc(Cn3cc(CNC(=O)CN4CCNCC4)nn3)cn2c1 ZINC000630589643 484737674 /nfs/dbraw/zinc/73/76/74/484737674.db2.gz JMGVWMVGZCFXIH-UHFFFAOYSA-N 0 3 368.445 -0.196 20 0 FBADHN Cc1c(F)cccc1-n1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000630590076 484736943 /nfs/dbraw/zinc/73/69/43/484736943.db2.gz SNIRKINCPYLNLW-UHFFFAOYSA-N 0 3 354.411 -0.046 20 0 FBADHN Cc1cc(F)cc(-n2cc(CNS(=O)(=O)N3CCNCC3)nn2)c1 ZINC000630590285 484737694 /nfs/dbraw/zinc/73/76/94/484737694.db2.gz BXUSFJQVVJDNSP-UHFFFAOYSA-N 0 3 354.411 -0.046 20 0 FBADHN O=S(=O)(NCc1cn(-c2cc(F)cc(F)c2)nn1)N1CCNCC1 ZINC000630590807 484737089 /nfs/dbraw/zinc/73/70/89/484737089.db2.gz NVVJTVSQVVASIS-UHFFFAOYSA-N 0 3 358.374 -0.215 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@H](O)Cc2ccccc2)nn1 ZINC000630591200 484737221 /nfs/dbraw/zinc/73/72/21/484737221.db2.gz NSFLAVGRGJLKJS-QGZVFWFLSA-N 0 3 358.446 -0.597 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@@H](O)Cc2ccccc2)nn1 ZINC000630593965 484736866 /nfs/dbraw/zinc/73/68/66/484736866.db2.gz NSFLAVGRGJLKJS-KRWDZBQOSA-N 0 3 358.446 -0.597 20 0 FBADHN O=S(=O)(NCc1cn(C[C@H]2CCCC2(F)F)nn1)N1CCNCC1 ZINC000630595790 484738318 /nfs/dbraw/zinc/73/83/18/484738318.db2.gz RUTSEBXPMCTZJU-LLVKDONJSA-N 0 3 364.422 -0.047 20 0 FBADHN O=S(=O)(NCc1cn(C[C@@H]2CCCC2(F)F)nn1)N1CCNCC1 ZINC000630595791 484738967 /nfs/dbraw/zinc/73/89/67/484738967.db2.gz RUTSEBXPMCTZJU-NSHDSACASA-N 0 3 364.422 -0.047 20 0 FBADHN O=S(=O)(NCc1cn(Cc2ccccc2F)nn1)N1CCNCC1 ZINC000630597704 484738089 /nfs/dbraw/zinc/73/80/89/484738089.db2.gz NGYCDVDDQGRRRO-UHFFFAOYSA-N 0 3 354.411 -0.295 20 0 FBADHN O=S(=O)(NCc1cn(Cc2ccc(F)cc2F)nn1)N1CCNCC1 ZINC000630599788 484739104 /nfs/dbraw/zinc/73/91/04/484739104.db2.gz PLANFPYBBOEPEA-UHFFFAOYSA-N 0 3 372.401 -0.156 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(Cc2cn3ccccc3n2)nn1 ZINC000630602777 484738513 /nfs/dbraw/zinc/73/85/13/484738513.db2.gz WTQAGQULWDSFMH-UHFFFAOYSA-N 0 3 354.418 -0.505 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@H]2COc3ccccc3O2)nn1 ZINC000630602799 484738395 /nfs/dbraw/zinc/73/83/95/484738395.db2.gz IZEZFZLYYFIASO-HNNXBMFYSA-N 0 3 372.429 -0.361 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@@H]2COc3ccccc3O2)nn1 ZINC000630602809 484738416 /nfs/dbraw/zinc/73/84/16/484738416.db2.gz IZEZFZLYYFIASO-OAHLLOKOSA-N 0 3 372.429 -0.361 20 0 FBADHN O=S(=O)(NCc1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)nn1)N1CCNCC1 ZINC000630614569 484744494 /nfs/dbraw/zinc/74/44/94/484744494.db2.gz FUJQQIFVEGMGOJ-HZSPNIEDSA-N 0 3 354.480 -0.046 20 0 FBADHN O=S(=O)(NCc1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1)N1CCNCC1 ZINC000630614579 484743976 /nfs/dbraw/zinc/74/39/76/484743976.db2.gz FUJQQIFVEGMGOJ-MCIONIFRSA-N 0 3 354.480 -0.046 20 0 FBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630617334 484746282 /nfs/dbraw/zinc/74/62/82/484746282.db2.gz SRUDDNZSHFVVDV-UHFFFAOYSA-N 0 3 364.450 -0.746 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630626120 484750802 /nfs/dbraw/zinc/75/08/02/484750802.db2.gz PHJSBVSMVDEFLJ-AWEZNQCLSA-N 0 3 362.478 -0.130 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630626126 484750980 /nfs/dbraw/zinc/75/09/80/484750980.db2.gz PHJSBVSMVDEFLJ-CQSZACIVSA-N 0 3 362.478 -0.130 20 0 FBADHN CCS(=O)(=O)N1CCC(NC(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630639592 484755373 /nfs/dbraw/zinc/75/53/73/484755373.db2.gz BYKGMZWORYZTEY-UHFFFAOYSA-N 0 3 357.480 -0.011 20 0 FBADHN CN(C)CCn1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000630701288 484806143 /nfs/dbraw/zinc/80/61/43/484806143.db2.gz FCTMNXGOFJFQGZ-UHFFFAOYSA-N 0 3 358.468 -0.991 20 0 FBADHN CN(C)CCn1cc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000630706798 484810920 /nfs/dbraw/zinc/81/09/20/484810920.db2.gz PHPBTRQWSSGUQT-AWEZNQCLSA-N 0 3 357.480 -0.011 20 0 FBADHN CN(C)CCn1cc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000630706802 484810016 /nfs/dbraw/zinc/81/00/16/484810016.db2.gz PHPBTRQWSSGUQT-CQSZACIVSA-N 0 3 357.480 -0.011 20 0 FBADHN CCNC(=O)CN1CCCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630719947 484823281 /nfs/dbraw/zinc/82/32/81/484823281.db2.gz FFPMTVFADYPHDA-UHFFFAOYSA-N 0 3 350.467 -0.271 20 0 FBADHN CN(C)CCn1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cn1 ZINC000630757256 484840658 /nfs/dbraw/zinc/84/06/58/484840658.db2.gz CJAPSGCWAQKVRX-UHFFFAOYSA-N 0 3 362.434 -0.992 20 0 FBADHN CN(C)CCn1cc(C(=O)NCCCn2nc3n(c2=O)CCCC3)cn1 ZINC000630765039 484842075 /nfs/dbraw/zinc/84/20/75/484842075.db2.gz FOWKNQVMSXWRHE-UHFFFAOYSA-N 0 3 361.450 -0.041 20 0 FBADHN CN(C)CCn1cc(C(=O)NCCN2CCN(c3ncccn3)CC2)cn1 ZINC000630771720 484850175 /nfs/dbraw/zinc/85/01/75/484850175.db2.gz LVVHETLPGQQGIZ-UHFFFAOYSA-N 0 3 372.477 -0.213 20 0 FBADHN O=C(NCCCN1CCN(c2ccncc2)CC1)C1CS(=O)(=O)C1 ZINC000630867303 485155226 /nfs/dbraw/zinc/15/52/26/485155226.db2.gz SCJCJKASMJIYTB-UHFFFAOYSA-N 0 3 352.460 -0.246 20 0 FBADHN CN(C)CCn1cc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cn1 ZINC000630869131 485167677 /nfs/dbraw/zinc/16/76/77/485167677.db2.gz RJGSWPIWHZGTGA-UHFFFAOYSA-N 0 3 357.480 -0.154 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CCN1C ZINC000630874193 485195913 /nfs/dbraw/zinc/19/59/13/485195913.db2.gz LZTGFFRLSOBBNR-BYNSBNAKSA-N 0 3 359.492 -0.669 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CCN1C ZINC000630874195 485195989 /nfs/dbraw/zinc/19/59/89/485195989.db2.gz LZTGFFRLSOBBNR-GBJTYRQASA-N 0 3 359.492 -0.669 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CCN1C ZINC000630874197 485196036 /nfs/dbraw/zinc/19/60/36/485196036.db2.gz LZTGFFRLSOBBNR-XQLPTFJDSA-N 0 3 359.492 -0.669 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CCN1C ZINC000630874198 485196262 /nfs/dbraw/zinc/19/62/62/485196262.db2.gz LZTGFFRLSOBBNR-YJNKXOJESA-N 0 3 359.492 -0.669 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(N2CCOCC2)CC1 ZINC000630889058 484293631 /nfs/dbraw/zinc/29/36/31/484293631.db2.gz JLXMEARVLBZLII-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(N2CCOCC2)CC1 ZINC000630889059 484293989 /nfs/dbraw/zinc/29/39/89/484293989.db2.gz JLXMEARVLBZLII-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC000630890676 484311677 /nfs/dbraw/zinc/31/16/77/484311677.db2.gz GULGSWSLOZBPIA-HNNXBMFYSA-N 0 3 350.463 -0.208 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC000630890684 484312420 /nfs/dbraw/zinc/31/24/20/484312420.db2.gz GULGSWSLOZBPIA-OAHLLOKOSA-N 0 3 350.463 -0.208 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)NCCN(C)CCOC)[C@H]1c1ccnn1C ZINC000630894817 484327543 /nfs/dbraw/zinc/32/75/43/484327543.db2.gz DLKDWNMYZXJOTM-CVEARBPZSA-N 0 3 367.450 -0.597 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)C2CS(=O)(=O)C2)c1 ZINC000630903723 484343220 /nfs/dbraw/zinc/34/32/20/484343220.db2.gz DWSQEBMEZOYTGH-UHFFFAOYSA-N 0 3 353.444 -0.361 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC000630921310 484361048 /nfs/dbraw/zinc/36/10/48/484361048.db2.gz HGHDSMMRHMPQLT-UHFFFAOYSA-N 0 3 350.463 -0.382 20 0 FBADHN CN(C)CCn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000630922464 484362610 /nfs/dbraw/zinc/36/26/10/484362610.db2.gz PKZUNKMXPLFZQL-UHFFFAOYSA-N 0 3 362.478 -0.175 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC000630925122 484363601 /nfs/dbraw/zinc/36/36/01/484363601.db2.gz CFPWHDYNLLGJHU-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN CN(C)CCNC(=O)c1ccc(CNC(=O)C2CS(=O)(=O)C2)cc1 ZINC000630945417 484373301 /nfs/dbraw/zinc/37/33/01/484373301.db2.gz JACZRIMXJWCHRG-UHFFFAOYSA-N 0 3 353.444 -0.361 20 0 FBADHN Cn1nc2c(c1CNCCN1CCN(S(C)(=O)=O)CC1)CCCC2 ZINC000631063183 484847109 /nfs/dbraw/zinc/84/71/09/484847109.db2.gz HHNFDMJTMSRYCA-UHFFFAOYSA-N 0 3 355.508 -0.034 20 0 FBADHN COCCc1ncc(CNCCN2CCN(S(C)(=O)=O)CC2)s1 ZINC000631063276 484847216 /nfs/dbraw/zinc/84/72/16/484847216.db2.gz JUSDSRYZBZENSP-UHFFFAOYSA-N 0 3 362.521 -0.001 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNC(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000631143687 483789826 /nfs/dbraw/zinc/78/98/26/483789826.db2.gz HQNWAEZFMBHPHO-UHFFFAOYSA-N 0 3 364.450 -0.745 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1 ZINC000631147530 483888522 /nfs/dbraw/zinc/88/85/22/483888522.db2.gz GKWNLZFXNGUGRX-DOMZBBRYSA-N 0 3 360.414 -0.036 20 0 FBADHN COCCN1CC[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1 ZINC000631147534 483888401 /nfs/dbraw/zinc/88/84/01/483888401.db2.gz GKWNLZFXNGUGRX-WFASDCNBSA-N 0 3 360.414 -0.036 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C2(N3CCOCC3)CC2)CC1 ZINC000631184933 484666113 /nfs/dbraw/zinc/66/61/13/484666113.db2.gz RAIFPKBNPAEKPK-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(C)CCn1cc(C(=O)NCCS(=O)(=O)NCC2CCC2)cn1 ZINC000631196831 485009583 /nfs/dbraw/zinc/00/95/83/485009583.db2.gz VQFRHHWEUZWWOW-UHFFFAOYSA-N 0 3 357.480 -0.106 20 0 FBADHN COc1cc(CN[C@@H]2COC[C@@H]2O)ccc1OCC(=O)N1CCOCC1 ZINC000631200798 485010034 /nfs/dbraw/zinc/01/00/34/485010034.db2.gz LVUOVAMITISNGZ-CABCVRRESA-N 0 3 366.414 -0.218 20 0 FBADHN CN(C)CCn1cc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)cn1 ZINC000631201416 485009930 /nfs/dbraw/zinc/00/99/30/485009930.db2.gz REGBWSXOFWWZDD-UHFFFAOYSA-N 0 3 350.467 -0.273 20 0 FBADHN 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/nfs/dbraw/zinc/28/67/21/485286721.db2.gz NPWPDLVLMICLER-STQMWFEESA-N 0 3 355.526 -0.082 20 0 FBADHN CCN(CC)CCN(CCOC)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000631904089 485030812 /nfs/dbraw/zinc/03/08/12/485030812.db2.gz DCXPWFSESWJOOU-HNNXBMFYSA-N 0 3 351.513 -0.063 20 0 FBADHN CCN(CC)CCN(CCOC)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000631904090 485030750 /nfs/dbraw/zinc/03/07/50/485030750.db2.gz DCXPWFSESWJOOU-OAHLLOKOSA-N 0 3 351.513 -0.063 20 0 FBADHN CN1CCO[C@H](CS(=O)(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000631905860 485029869 /nfs/dbraw/zinc/02/98/69/485029869.db2.gz XBMLAXIFRANFKN-HNNXBMFYSA-N 0 3 361.508 -0.119 20 0 FBADHN CN1CCO[C@@H](CS(=O)(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000631905861 485029625 /nfs/dbraw/zinc/02/96/25/485029625.db2.gz XBMLAXIFRANFKN-OAHLLOKOSA-N 0 3 361.508 -0.119 20 0 FBADHN O=S(=O)(C[C@@H]1CNCCO1)NCC1(N2CCOCC2)CCCCC1 ZINC000631909389 485030690 /nfs/dbraw/zinc/03/06/90/485030690.db2.gz CVLHQASKBWEWMQ-HNNXBMFYSA-N 0 3 361.508 -0.071 20 0 FBADHN O=S(=O)(C[C@H]1CNCCO1)NCC1(N2CCOCC2)CCCCC1 ZINC000631909390 485030939 /nfs/dbraw/zinc/03/09/39/485030939.db2.gz CVLHQASKBWEWMQ-OAHLLOKOSA-N 0 3 361.508 -0.071 20 0 FBADHN O=S(=O)(C[C@@H]1CNCCO1)NCc1ccc(CN2CCOCC2)cc1 ZINC000631909825 485030777 /nfs/dbraw/zinc/03/07/77/485030777.db2.gz PVFHUALCSQTLHK-KRWDZBQOSA-N 0 3 369.487 -0.073 20 0 FBADHN O=S(=O)(C[C@H]1CNCCO1)NCc1ccc(CN2CCOCC2)cc1 ZINC000631909826 485030545 /nfs/dbraw/zinc/03/05/45/485030545.db2.gz PVFHUALCSQTLHK-QGZVFWFLSA-N 0 3 369.487 -0.073 20 0 FBADHN COCCN1CCC[C@H](NS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000631910321 485030512 /nfs/dbraw/zinc/03/05/12/485030512.db2.gz ZYWKIHSJMNYRRW-INIZCTEOSA-N 0 3 362.540 -0.346 20 0 FBADHN COCCN1CCC[C@@H](NS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000631910322 485030005 /nfs/dbraw/zinc/03/00/05/485030005.db2.gz ZYWKIHSJMNYRRW-MRXNPFEDSA-N 0 3 362.540 -0.346 20 0 FBADHN O=S(=O)(C[C@@H]1CNCCO1)NCc1cccc(CN2CCOCC2)c1 ZINC000631913069 485031314 /nfs/dbraw/zinc/03/13/14/485031314.db2.gz DCKFPNIMTVYDSK-KRWDZBQOSA-N 0 3 369.487 -0.073 20 0 FBADHN O=S(=O)(C[C@H]1CNCCO1)NCc1cccc(CN2CCOCC2)c1 ZINC000631913070 485032347 /nfs/dbraw/zinc/03/23/47/485032347.db2.gz DCKFPNIMTVYDSK-QGZVFWFLSA-N 0 3 369.487 -0.073 20 0 FBADHN O=S(=O)(C[C@@H]1CNCCO1)NC1CCN(Cc2ccccn2)CC1 ZINC000631913095 485032651 /nfs/dbraw/zinc/03/26/51/485032651.db2.gz DOGNZIRBIHKQMT-INIZCTEOSA-N 0 3 354.476 -0.046 20 0 FBADHN O=S(=O)(C[C@H]1CNCCO1)NC1CCN(Cc2ccccn2)CC1 ZINC000631913096 485032271 /nfs/dbraw/zinc/03/22/71/485032271.db2.gz DOGNZIRBIHKQMT-MRXNPFEDSA-N 0 3 354.476 -0.046 20 0 FBADHN O=S(=O)(C[C@@H]1CNCCO1)NC1CCN(Cc2ccncc2)CC1 ZINC000631913326 485032750 /nfs/dbraw/zinc/03/27/50/485032750.db2.gz JASARTGIBNWONV-INIZCTEOSA-N 0 3 354.476 -0.046 20 0 FBADHN O=S(=O)(C[C@H]1CNCCO1)NC1CCN(Cc2ccncc2)CC1 ZINC000631913327 485032471 /nfs/dbraw/zinc/03/24/71/485032471.db2.gz JASARTGIBNWONV-MRXNPFEDSA-N 0 3 354.476 -0.046 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CNCCO2)C[C@H](C)O1 ZINC000631914916 485032399 /nfs/dbraw/zinc/03/23/99/485032399.db2.gz BJEFEMPSHVLNOU-FZKCQIBNSA-N 0 3 361.508 -0.122 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CNCCO2)C[C@@H](C)O1 ZINC000631914917 485031427 /nfs/dbraw/zinc/03/14/27/485031427.db2.gz BJEFEMPSHVLNOU-LVQVYYBASA-N 0 3 361.508 -0.122 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CNCCO2)C[C@@H](C)O1 ZINC000631914918 485032376 /nfs/dbraw/zinc/03/23/76/485032376.db2.gz BJEFEMPSHVLNOU-WCVJEAGWSA-N 0 3 361.508 -0.122 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CNCCO2)C[C@H](C)O1 ZINC000631914919 485032335 /nfs/dbraw/zinc/03/23/35/485032335.db2.gz BJEFEMPSHVLNOU-XUWVNRHRSA-N 0 3 361.508 -0.122 20 0 FBADHN CN1CCN(c2ncccc2CNS(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000631915103 485031829 /nfs/dbraw/zinc/03/18/29/485031829.db2.gz DUTJDBMBJDTTPW-HNNXBMFYSA-N 0 3 369.491 -0.759 20 0 FBADHN CN1CCN(c2ncccc2CNS(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000631915104 485031387 /nfs/dbraw/zinc/03/13/87/485031387.db2.gz DUTJDBMBJDTTPW-OAHLLOKOSA-N 0 3 369.491 -0.759 20 0 FBADHN O=C(CNS(=O)(=O)C[C@@H]1CNCCO1)N1CCCc2ccccc21 ZINC000631915175 485032315 /nfs/dbraw/zinc/03/23/15/485032315.db2.gz GRUOMLRKTVQHMB-AWEZNQCLSA-N 0 3 353.444 -0.126 20 0 FBADHN O=C(CNS(=O)(=O)C[C@H]1CNCCO1)N1CCCc2ccccc21 ZINC000631915177 485031675 /nfs/dbraw/zinc/03/16/75/485031675.db2.gz GRUOMLRKTVQHMB-CQSZACIVSA-N 0 3 353.444 -0.126 20 0 FBADHN COc1ccnc(N2CCN(S(=O)(=O)C[C@@H]3CNCCO3)CC2)c1 ZINC000631916884 485033521 /nfs/dbraw/zinc/03/35/21/485033521.db2.gz BZAAUOUWZVQENF-AWEZNQCLSA-N 0 3 356.448 -0.470 20 0 FBADHN COc1ccnc(N2CCN(S(=O)(=O)C[C@H]3CNCCO3)CC2)c1 ZINC000631916885 485033915 /nfs/dbraw/zinc/03/39/15/485033915.db2.gz BZAAUOUWZVQENF-CQSZACIVSA-N 0 3 356.448 -0.470 20 0 FBADHN CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000631918861 485034709 /nfs/dbraw/zinc/03/47/09/485034709.db2.gz OPJVHNLGAABUAK-INIZCTEOSA-N 0 3 371.507 -0.403 20 0 FBADHN CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)C[C@H]1CNCCO1 ZINC000631918862 485034663 /nfs/dbraw/zinc/03/46/63/485034663.db2.gz OPJVHNLGAABUAK-MRXNPFEDSA-N 0 3 371.507 -0.403 20 0 FBADHN O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCN1c1ccccc1F ZINC000631920023 485034164 /nfs/dbraw/zinc/03/41/64/485034164.db2.gz RBQIWLOVHVVKEK-AAEUAGOBSA-N 0 3 357.407 -0.161 20 0 FBADHN O=C1[C@@H](NS(=O)(=O)C[C@@H]2CNCCO2)CCN1c1ccccc1F ZINC000631920023 485034160 /nfs/dbraw/zinc/03/41/60/485034160.db2.gz RBQIWLOVHVVKEK-AAEUAGOBSA-N 0 3 357.407 -0.161 20 0 FBADHN O=C1[C@H]([N-]S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCN1c1ccccc1F ZINC000631920024 485033474 /nfs/dbraw/zinc/03/34/74/485033474.db2.gz RBQIWLOVHVVKEK-DGCLKSJQSA-N 0 3 357.407 -0.161 20 0 FBADHN O=C1[C@H](NS(=O)(=O)C[C@H]2CNCCO2)CCN1c1ccccc1F ZINC000631920024 485033467 /nfs/dbraw/zinc/03/34/67/485033467.db2.gz RBQIWLOVHVVKEK-DGCLKSJQSA-N 0 3 357.407 -0.161 20 0 FBADHN O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCN1c1ccccc1F ZINC000631920025 485034879 /nfs/dbraw/zinc/03/48/79/485034879.db2.gz RBQIWLOVHVVKEK-WCQYABFASA-N 0 3 357.407 -0.161 20 0 FBADHN O=C1[C@H](NS(=O)(=O)C[C@@H]2CNCCO2)CCN1c1ccccc1F ZINC000631920025 485034871 /nfs/dbraw/zinc/03/48/71/485034871.db2.gz RBQIWLOVHVVKEK-WCQYABFASA-N 0 3 357.407 -0.161 20 0 FBADHN O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCN1c1ccccc1F ZINC000631920026 485034530 /nfs/dbraw/zinc/03/45/30/485034530.db2.gz RBQIWLOVHVVKEK-YPMHNXCESA-N 0 3 357.407 -0.161 20 0 FBADHN O=C1[C@@H](NS(=O)(=O)C[C@H]2CNCCO2)CCN1c1ccccc1F ZINC000631920026 485034524 /nfs/dbraw/zinc/03/45/24/485034524.db2.gz RBQIWLOVHVVKEK-YPMHNXCESA-N 0 3 357.407 -0.161 20 0 FBADHN CC(=O)N1CCN(C(=O)CCNS(=O)(=O)CCCN2CCCC2)CC1 ZINC000631920867 485034223 /nfs/dbraw/zinc/03/42/23/485034223.db2.gz IARAHYHCKDGNOH-UHFFFAOYSA-N 0 3 374.507 -0.528 20 0 FBADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000631921001 483962265 /nfs/dbraw/zinc/96/22/65/483962265.db2.gz KLBZVFHEOGGTGM-CYBMUJFWSA-N 0 3 356.452 -0.956 20 0 FBADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000631921002 485033590 /nfs/dbraw/zinc/03/35/90/485033590.db2.gz KLBZVFHEOGGTGM-ZDUSSCGKSA-N 0 3 356.452 -0.956 20 0 FBADHN CN(C)C1(CNS(=O)(=O)C[C@@H]2CNCCO2)Cc2ccccc2C1 ZINC000631923371 485036090 /nfs/dbraw/zinc/03/60/90/485036090.db2.gz UDILAAZTOBEKIE-INIZCTEOSA-N 0 3 353.488 -0.007 20 0 FBADHN CN(C)C1(CNS(=O)(=O)C[C@H]2CNCCO2)Cc2ccccc2C1 ZINC000631923372 485036508 /nfs/dbraw/zinc/03/65/08/485036508.db2.gz UDILAAZTOBEKIE-MRXNPFEDSA-N 0 3 353.488 -0.007 20 0 FBADHN Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)N(C)C3CC[NH2+]CC3)C2=O)n(C)n1 ZINC000631923879 485035584 /nfs/dbraw/zinc/03/55/84/485035584.db2.gz IKIZSLIRQKHZGP-CYBMUJFWSA-N 0 3 370.479 -0.648 20 0 FBADHN Cc1cc(N2CC[C@H]([N-]S(=O)(=O)N(C)C3CC[NH2+]CC3)C2=O)n(C)n1 ZINC000631923880 485035375 /nfs/dbraw/zinc/03/53/75/485035375.db2.gz IKIZSLIRQKHZGP-ZDUSSCGKSA-N 0 3 370.479 -0.648 20 0 FBADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000631924301 485035865 /nfs/dbraw/zinc/03/58/65/485035865.db2.gz RMKXSLVAFYNHBU-CYBMUJFWSA-N 0 3 370.479 -0.566 20 0 FBADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000631924302 485036243 /nfs/dbraw/zinc/03/62/43/485036243.db2.gz RMKXSLVAFYNHBU-ZDUSSCGKSA-N 0 3 370.479 -0.566 20 0 FBADHN Cc1cc(N2CCC(NS(=O)(=O)C[C@@H]3CNCCO3)CC2)nc(C)n1 ZINC000631926231 485036492 /nfs/dbraw/zinc/03/64/92/485036492.db2.gz RGRWFOKLXSJFRZ-HNNXBMFYSA-N 0 3 369.491 -0.030 20 0 FBADHN Cc1cc(N2CCC(NS(=O)(=O)C[C@H]3CNCCO3)CC2)nc(C)n1 ZINC000631926232 485036317 /nfs/dbraw/zinc/03/63/17/485036317.db2.gz RGRWFOKLXSJFRZ-OAHLLOKOSA-N 0 3 369.491 -0.030 20 0 FBADHN COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1=O ZINC000631926266 485036287 /nfs/dbraw/zinc/03/62/87/485036287.db2.gz SOKCIQVMGDPVKP-CHWSQXEVSA-N 0 3 369.443 -0.292 20 0 FBADHN COc1ccccc1N1CC[C@@H](NS(=O)(=O)C[C@H]2CNCCO2)C1=O ZINC000631926266 485036282 /nfs/dbraw/zinc/03/62/82/485036282.db2.gz SOKCIQVMGDPVKP-CHWSQXEVSA-N 0 3 369.443 -0.292 20 0 FBADHN COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1=O ZINC000631926267 485036013 /nfs/dbraw/zinc/03/60/13/485036013.db2.gz SOKCIQVMGDPVKP-OLZOCXBDSA-N 0 3 369.443 -0.292 20 0 FBADHN COc1ccccc1N1CC[C@H](NS(=O)(=O)C[C@H]2CNCCO2)C1=O ZINC000631926267 485036009 /nfs/dbraw/zinc/03/60/09/485036009.db2.gz SOKCIQVMGDPVKP-OLZOCXBDSA-N 0 3 369.443 -0.292 20 0 FBADHN COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1=O ZINC000631926268 485035562 /nfs/dbraw/zinc/03/55/62/485035562.db2.gz SOKCIQVMGDPVKP-QWHCGFSZSA-N 0 3 369.443 -0.292 20 0 FBADHN COc1ccccc1N1CC[C@@H](NS(=O)(=O)C[C@@H]2CNCCO2)C1=O ZINC000631926268 485035554 /nfs/dbraw/zinc/03/55/54/485035554.db2.gz SOKCIQVMGDPVKP-QWHCGFSZSA-N 0 3 369.443 -0.292 20 0 FBADHN COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1=O ZINC000631926269 485036307 /nfs/dbraw/zinc/03/63/07/485036307.db2.gz SOKCIQVMGDPVKP-STQMWFEESA-N 0 3 369.443 -0.292 20 0 FBADHN COc1ccccc1N1CC[C@H](NS(=O)(=O)C[C@@H]2CNCCO2)C1=O ZINC000631926269 485036303 /nfs/dbraw/zinc/03/63/03/485036303.db2.gz SOKCIQVMGDPVKP-STQMWFEESA-N 0 3 369.443 -0.292 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000631927258 483976151 /nfs/dbraw/zinc/97/61/51/483976151.db2.gz USRCGFUIKFCXCF-KBPBESRZSA-N 0 3 365.521 -0.328 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000631927259 483976473 /nfs/dbraw/zinc/97/64/73/483976473.db2.gz USRCGFUIKFCXCF-KGLIPLIRSA-N 0 3 365.521 -0.328 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000631927260 483975655 /nfs/dbraw/zinc/97/56/55/483975655.db2.gz USRCGFUIKFCXCF-UONOGXRCSA-N 0 3 365.521 -0.328 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000631927261 483975900 /nfs/dbraw/zinc/97/59/00/483975900.db2.gz USRCGFUIKFCXCF-ZIAGYGMSSA-N 0 3 365.521 -0.328 20 0 FBADHN CN1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000631928014 485035490 /nfs/dbraw/zinc/03/54/90/485035490.db2.gz OQFRHSHVCIUVDT-CHWSQXEVSA-N 0 3 353.510 -0.471 20 0 FBADHN CN1CCC[C@H](CNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000631928015 485035346 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CN(C)S(=O)(=O)N1CC(NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634722540 483697661 /nfs/dbraw/zinc/69/76/61/483697661.db2.gz QQMKDEIBFNEFJG-QGZVFWFLSA-N 0 3 368.503 -0.296 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNC1CN(c2ccncn2)C1 ZINC000634728741 483732180 /nfs/dbraw/zinc/73/21/80/483732180.db2.gz MPBRKNDMLGCKHH-CYBMUJFWSA-N 0 3 353.382 -0.088 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC1CN(c2ccncn2)C1 ZINC000634728742 483732331 /nfs/dbraw/zinc/73/23/31/483732331.db2.gz MPBRKNDMLGCKHH-ZDUSSCGKSA-N 0 3 353.382 -0.088 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1C ZINC000634747282 483763088 /nfs/dbraw/zinc/76/30/88/483763088.db2.gz FAXAOURBGZUALS-GASCZTMLSA-N 0 3 355.464 -0.535 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1C ZINC000634747780 483762935 /nfs/dbraw/zinc/76/29/35/483762935.db2.gz ZGSLJFCKENFPJK-IYBDPMFKSA-N 0 3 369.491 -0.145 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634766615 483793076 /nfs/dbraw/zinc/79/30/76/483793076.db2.gz NSSYCIMWAAIHKK-OQPBUACISA-N 0 3 357.208 -0.030 20 0 FBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634780333 483802289 /nfs/dbraw/zinc/80/22/89/483802289.db2.gz BXWYVSVOJQAICB-OKILXGFUSA-N 0 3 371.445 -0.410 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634783078 483808696 /nfs/dbraw/zinc/80/86/96/483808696.db2.gz MQUZLVUDENHTJN-GASCZTMLSA-N 0 3 352.479 -0.377 20 0 FBADHN O=C1C[C@H](N[C@@H]2CCCS(=O)(=O)CC2)CN1CCN1CCOCC1 ZINC000634962817 483913848 /nfs/dbraw/zinc/91/38/48/483913848.db2.gz CKPQRCPCIINCHA-CABCVRRESA-N 0 3 359.492 -0.524 20 0 FBADHN O=C1C[C@H](N[C@H]2CCCS(=O)(=O)CC2)CN1CCN1CCOCC1 ZINC000634962818 483913417 /nfs/dbraw/zinc/91/34/17/483913417.db2.gz CKPQRCPCIINCHA-GJZGRUSLSA-N 0 3 359.492 -0.524 20 0 FBADHN O=C1C[C@@H](N[C@@H]2CCCS(=O)(=O)CC2)CN1CCN1CCOCC1 ZINC000634962819 483913732 /nfs/dbraw/zinc/91/37/32/483913732.db2.gz CKPQRCPCIINCHA-HUUCEWRRSA-N 0 3 359.492 -0.524 20 0 FBADHN O=C1C[C@@H](N[C@H]2CCCS(=O)(=O)CC2)CN1CCN1CCOCC1 ZINC000634962820 483913902 /nfs/dbraw/zinc/91/39/02/483913902.db2.gz CKPQRCPCIINCHA-LSDHHAIUSA-N 0 3 359.492 -0.524 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2c3c(nn2C)CCCC3)CC1 ZINC000635028899 483923711 /nfs/dbraw/zinc/92/37/11/483923711.db2.gz XIKPUBAGOYJMRM-UHFFFAOYSA-N 0 3 362.478 -0.009 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc(C)n1 ZINC000635047017 483927828 /nfs/dbraw/zinc/92/78/28/483927828.db2.gz OCICSWNBQVXRHH-UHFFFAOYSA-N 0 3 374.445 -0.201 20 0 FBADHN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000635050016 483928675 /nfs/dbraw/zinc/92/86/75/483928675.db2.gz CGWBCXSPTVCXQF-AWEZNQCLSA-N 0 3 362.434 -0.175 20 0 FBADHN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000635050017 483929667 /nfs/dbraw/zinc/92/96/67/483929667.db2.gz CGWBCXSPTVCXQF-CQSZACIVSA-N 0 3 362.434 -0.175 20 0 FBADHN CN1CCC(n2cc(NC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)cn2)CC1 ZINC000635075640 483932891 /nfs/dbraw/zinc/93/28/91/483932891.db2.gz UCUCVVLVVPOLKL-UHFFFAOYSA-N 0 3 374.445 -0.079 20 0 FBADHN CN1CCC(n2cc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cn2)CC1 ZINC000635081423 483933297 /nfs/dbraw/zinc/93/32/97/483933297.db2.gz WRULLNRBDATJTJ-GFCCVEGCSA-N 0 3 374.445 -0.032 20 0 FBADHN CN1CCC(n2cc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)cn2)CC1 ZINC000635081424 483933179 /nfs/dbraw/zinc/93/31/79/483933179.db2.gz WRULLNRBDATJTJ-LBPRGKRZSA-N 0 3 374.445 -0.032 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc(C)n1 ZINC000635088589 483935444 /nfs/dbraw/zinc/93/54/44/483935444.db2.gz AJUXPGUWLHORNV-AWEZNQCLSA-N 0 3 374.445 -0.203 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc(C)n1 ZINC000635088590 483935477 /nfs/dbraw/zinc/93/54/77/483935477.db2.gz AJUXPGUWLHORNV-CQSZACIVSA-N 0 3 374.445 -0.203 20 0 FBADHN CCN1CCN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC1=O ZINC000635100829 483936574 /nfs/dbraw/zinc/93/65/74/483936574.db2.gz DJKUTFNGXVPOCW-UHFFFAOYSA-N 0 3 362.434 -0.221 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000635106873 483938014 /nfs/dbraw/zinc/93/80/14/483938014.db2.gz INXZHRJVGAYPKP-INIZCTEOSA-N 0 3 371.478 -0.179 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000635106874 483937685 /nfs/dbraw/zinc/93/76/85/483937685.db2.gz INXZHRJVGAYPKP-MRXNPFEDSA-N 0 3 371.478 -0.179 20 0 FBADHN CCNC(=O)C1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000635117830 483940710 /nfs/dbraw/zinc/94/07/10/483940710.db2.gz RNHYMMIWBCFOLV-UHFFFAOYSA-N 0 3 362.434 -0.317 20 0 FBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635122128 483941868 /nfs/dbraw/zinc/94/18/68/483941868.db2.gz MAKSZPYKQLYLDM-UHFFFAOYSA-N 0 3 367.450 -0.443 20 0 FBADHN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000635123619 483942166 /nfs/dbraw/zinc/94/21/66/483942166.db2.gz LENOSRKDVBRKCT-GFCCVEGCSA-N 0 3 362.434 -0.223 20 0 FBADHN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000635123620 483942897 /nfs/dbraw/zinc/94/28/97/483942897.db2.gz LENOSRKDVBRKCT-LBPRGKRZSA-N 0 3 362.434 -0.223 20 0 FBADHN COCCOC1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000635127749 483943851 /nfs/dbraw/zinc/94/38/51/483943851.db2.gz VBGBPHPEQNIVRM-UHFFFAOYSA-N 0 3 365.434 -0.038 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000635138441 483946793 /nfs/dbraw/zinc/94/67/93/483946793.db2.gz YLVAKIPCWRUPOA-NEPJUHHUSA-N 0 3 371.425 -0.085 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000635138450 483946114 /nfs/dbraw/zinc/94/61/14/483946114.db2.gz YLVAKIPCWRUPOA-NWDGAFQWSA-N 0 3 371.425 -0.085 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000635138452 483946949 /nfs/dbraw/zinc/94/69/49/483946949.db2.gz YLVAKIPCWRUPOA-RYUDHWBXSA-N 0 3 371.425 -0.085 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000635138456 483945716 /nfs/dbraw/zinc/94/57/16/483945716.db2.gz YLVAKIPCWRUPOA-VXGBXAGGSA-N 0 3 371.425 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@H](CO)O1 ZINC000635140217 483945819 /nfs/dbraw/zinc/94/58/19/483945819.db2.gz XGUSFFBXPHOXMZ-DOMZBBRYSA-N 0 3 365.434 -0.304 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@H](CO)O1 ZINC000635140218 483946330 /nfs/dbraw/zinc/94/63/30/483946330.db2.gz XGUSFFBXPHOXMZ-IUODEOHRSA-N 0 3 365.434 -0.304 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@H](CO)O1 ZINC000635140219 483945395 /nfs/dbraw/zinc/94/53/95/483945395.db2.gz XGUSFFBXPHOXMZ-SWLSCSKDSA-N 0 3 365.434 -0.304 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@H](CO)O1 ZINC000635140220 483945921 /nfs/dbraw/zinc/94/59/21/483945921.db2.gz XGUSFFBXPHOXMZ-WFASDCNBSA-N 0 3 365.434 -0.304 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@H]1OC ZINC000635142177 483947468 /nfs/dbraw/zinc/94/74/68/483947468.db2.gz CLQFFNCCCOTZOY-GASCZTMLSA-N 0 3 365.434 -0.040 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635143170 483948553 /nfs/dbraw/zinc/94/85/53/483948553.db2.gz UEDJTPFBRPMQRK-INIZCTEOSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCNC(=O)CN1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635143171 483948160 /nfs/dbraw/zinc/94/81/60/483948160.db2.gz UEDJTPFBRPMQRK-MRXNPFEDSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC(n2cc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)cn2)CC1 ZINC000635148114 483948354 /nfs/dbraw/zinc/94/83/54/483948354.db2.gz OXRSQOWOZFWNSD-UHFFFAOYSA-N 0 3 360.418 -0.121 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC(=O)N1C ZINC000635153187 483947522 /nfs/dbraw/zinc/94/75/22/483947522.db2.gz POQSQJYWIMRDPX-GFCCVEGCSA-N 0 3 362.434 -0.223 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC(=O)N1C ZINC000635153188 483948390 /nfs/dbraw/zinc/94/83/90/483948390.db2.gz POQSQJYWIMRDPX-LBPRGKRZSA-N 0 3 362.434 -0.223 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000635156328 483950098 /nfs/dbraw/zinc/95/00/98/483950098.db2.gz GUUCTQHFRWMLCO-UHFFFAOYSA-N 0 3 351.469 -0.925 20 0 FBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3-c3nnnn3C)[C@@H]2C1 ZINC000635174544 483954675 /nfs/dbraw/zinc/95/46/75/483954675.db2.gz QTZRHUFYEPFVJF-BXUZGUMPSA-N 0 3 355.402 -0.022 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccccc2-c2nnnn2C)C1 ZINC000635174545 483954298 /nfs/dbraw/zinc/95/42/98/483954298.db2.gz QTZRHUFYEPFVJF-FZMZJTMJSA-N 0 3 355.402 -0.022 20 0 FBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3-c3nnnn3C)[C@H]2C1 ZINC000635174546 483954609 /nfs/dbraw/zinc/95/46/09/483954609.db2.gz QTZRHUFYEPFVJF-RISCZKNCSA-N 0 3 355.402 -0.022 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-c3nnnn3C)[C@@H]2C1 ZINC000635174547 483953843 /nfs/dbraw/zinc/95/38/43/483953843.db2.gz QTZRHUFYEPFVJF-SMDDNHRTSA-N 0 3 355.402 -0.022 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3-c3nnnn3C)C[C@@H]21 ZINC000635184410 483954181 /nfs/dbraw/zinc/95/41/81/483954181.db2.gz HCLLLATYIRXIQG-RISCZKNCSA-N 0 3 355.402 -0.022 20 0 FBADHN CCN1C[C@H](NC(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC1=O ZINC000635185168 483956695 /nfs/dbraw/zinc/95/66/95/483956695.db2.gz RYTGDSUCSFQEIX-GFCCVEGCSA-N 0 3 362.434 -0.175 20 0 FBADHN CCN1C[C@@H](NC(=O)C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC1=O ZINC000635185169 483956826 /nfs/dbraw/zinc/95/68/26/483956826.db2.gz RYTGDSUCSFQEIX-LBPRGKRZSA-N 0 3 362.434 -0.175 20 0 FBADHN COCCOCCN(C)CCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000635196555 483961342 /nfs/dbraw/zinc/96/13/42/483961342.db2.gz CREXZMRPGUHZNA-UHFFFAOYSA-N 0 3 365.496 -0.489 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635204175 483961887 /nfs/dbraw/zinc/96/18/87/483961887.db2.gz VHUPPTIFRRMFCV-GFCCVEGCSA-N 0 3 362.434 -0.264 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635204176 483960913 /nfs/dbraw/zinc/96/09/13/483960913.db2.gz VHUPPTIFRRMFCV-LBPRGKRZSA-N 0 3 362.434 -0.264 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000635204405 483963868 /nfs/dbraw/zinc/96/38/68/483963868.db2.gz UMVRDXDZXKYCSQ-UHFFFAOYSA-N 0 3 365.496 -0.535 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cncc(N(C)C)c1 ZINC000635204482 483963065 /nfs/dbraw/zinc/96/30/65/483963065.db2.gz WRINSPTYYWAFEO-GFCCVEGCSA-N 0 3 362.434 -0.336 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cncc(N(C)C)c1 ZINC000635204487 483963825 /nfs/dbraw/zinc/96/38/25/483963825.db2.gz WRINSPTYYWAFEO-LBPRGKRZSA-N 0 3 362.434 -0.336 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2cncc(N(C)C)c2)CC1=O ZINC000635206049 483963617 /nfs/dbraw/zinc/96/36/17/483963617.db2.gz USDBDBZSCDJWIV-UHFFFAOYSA-N 0 3 362.434 -0.682 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2cnn3c2CCCC3)CC1=O ZINC000635206073 483963138 /nfs/dbraw/zinc/96/31/38/483963138.db2.gz VIAQNRIXJHOURB-UHFFFAOYSA-N 0 3 362.434 -0.610 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3COC[C@@H]3O)c2)CC1 ZINC000635247212 483972461 /nfs/dbraw/zinc/97/24/61/483972461.db2.gz MSBPYOXAIBEZLN-CVEARBPZSA-N 0 3 362.430 -0.357 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000635279767 483975366 /nfs/dbraw/zinc/97/53/66/483975366.db2.gz QYVLKQGRCYTWFC-AWEZNQCLSA-N 0 3 365.496 -0.489 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000635279769 483975989 /nfs/dbraw/zinc/97/59/89/483975989.db2.gz QYVLKQGRCYTWFC-CQSZACIVSA-N 0 3 365.496 -0.489 20 0 FBADHN O=C(CCNC(=O)[C@H]1CCN1C1CCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000635285042 483975042 /nfs/dbraw/zinc/97/50/42/483975042.db2.gz DOVRGRMDSPMLIC-GXTWGEPZSA-N 0 3 357.476 -0.187 20 0 FBADHN O=C(CCNC(=O)[C@@H]1CCN1C1CCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000635285043 483977048 /nfs/dbraw/zinc/97/70/48/483977048.db2.gz DOVRGRMDSPMLIC-JSGCOSHPSA-N 0 3 357.476 -0.187 20 0 FBADHN O=C(CCNC(=O)[C@@H]1CCN1C1CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000635285044 483977477 /nfs/dbraw/zinc/97/74/77/483977477.db2.gz DOVRGRMDSPMLIC-OCCSQVGLSA-N 0 3 357.476 -0.187 20 0 FBADHN O=C(CCNC(=O)[C@H]1CCN1C1CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000635285045 483978008 /nfs/dbraw/zinc/97/80/08/483978008.db2.gz DOVRGRMDSPMLIC-TZMCWYRMSA-N 0 3 357.476 -0.187 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)[C@](C)(CO)C1 ZINC000635290908 483977829 /nfs/dbraw/zinc/97/78/29/483977829.db2.gz QMOGRQGTTAGOAU-BBRMVZONSA-N 0 3 353.423 -0.619 20 0 FBADHN CO[C@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)[C@](C)(CO)C1 ZINC000635290920 483977601 /nfs/dbraw/zinc/97/76/01/483977601.db2.gz QMOGRQGTTAGOAU-CJNGLKHVSA-N 0 3 353.423 -0.619 20 0 FBADHN CO[C@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)[C@@](C)(CO)C1 ZINC000635290921 483977908 /nfs/dbraw/zinc/97/79/08/483977908.db2.gz QMOGRQGTTAGOAU-CZUORRHYSA-N 0 3 353.423 -0.619 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)[C@@](C)(CO)C1 ZINC000635290922 483977583 /nfs/dbraw/zinc/97/75/83/483977583.db2.gz QMOGRQGTTAGOAU-XJKSGUPXSA-N 0 3 353.423 -0.619 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)[C@@](C)(CO)C1 ZINC000635293059 483770989 /nfs/dbraw/zinc/77/09/89/483770989.db2.gz ZSTDHDCVRPCUFG-BLLLJJGKSA-N 0 3 353.423 -0.619 20 0 FBADHN CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)[C@](C)(CO)C1 ZINC000635293061 483770743 /nfs/dbraw/zinc/77/07/43/483770743.db2.gz ZSTDHDCVRPCUFG-LRDDRELGSA-N 0 3 353.423 -0.619 20 0 FBADHN CO[C@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)[C@@](C)(CO)C1 ZINC000635293063 483771500 /nfs/dbraw/zinc/77/15/00/483771500.db2.gz ZSTDHDCVRPCUFG-MLGOLLRUSA-N 0 3 353.423 -0.619 20 0 FBADHN CO[C@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)[C@](C)(CO)C1 ZINC000635293065 483771525 /nfs/dbraw/zinc/77/15/25/483771525.db2.gz ZSTDHDCVRPCUFG-WBMJQRKESA-N 0 3 353.423 -0.619 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N(C)[C@H]2CCCCN(C)C2=O)cn1 ZINC000635308733 483982477 /nfs/dbraw/zinc/98/24/77/483982477.db2.gz KIHVGTVGMYVPMO-AWEZNQCLSA-N 0 3 364.450 -0.148 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N(C)[C@@H]2CCCCN(C)C2=O)cn1 ZINC000635308738 483981320 /nfs/dbraw/zinc/98/13/20/483981320.db2.gz KIHVGTVGMYVPMO-CQSZACIVSA-N 0 3 364.450 -0.148 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCCN(C)C2=O)n1 ZINC000635309263 484095274 /nfs/dbraw/zinc/09/52/74/484095274.db2.gz NNHZROAHYKPKRE-CYBMUJFWSA-N 0 3 364.450 -0.148 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N(C)[C@H]2CCCCN(C)C2=O)n1 ZINC000635309264 484095413 /nfs/dbraw/zinc/09/54/13/484095413.db2.gz NNHZROAHYKPKRE-ZDUSSCGKSA-N 0 3 364.450 -0.148 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@@H](O)C(F)(F)F ZINC000635339370 483988643 /nfs/dbraw/zinc/98/86/43/483988643.db2.gz TZCUSUCROHXFNG-PSASIEDQSA-N 0 3 351.329 -0.189 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@H](O)C(F)(F)F ZINC000635339375 483988436 /nfs/dbraw/zinc/98/84/36/483988436.db2.gz TZCUSUCROHXFNG-SCZZXKLOSA-N 0 3 351.329 -0.189 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@@H](O)C(F)(F)F ZINC000635339376 483988231 /nfs/dbraw/zinc/98/82/31/483988231.db2.gz TZCUSUCROHXFNG-WCBMZHEXSA-N 0 3 351.329 -0.189 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@H](O)C(F)(F)F ZINC000635339377 483988369 /nfs/dbraw/zinc/98/83/69/483988369.db2.gz TZCUSUCROHXFNG-WPRPVWTQSA-N 0 3 351.329 -0.189 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@@H](O)C(F)(F)F ZINC000635341240 484478517 /nfs/dbraw/zinc/47/85/17/484478517.db2.gz NKRNBNKWTSHMTA-PSASIEDQSA-N 0 3 351.329 -0.189 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@H](O)C(F)(F)F ZINC000635341241 484478351 /nfs/dbraw/zinc/47/83/51/484478351.db2.gz NKRNBNKWTSHMTA-SCZZXKLOSA-N 0 3 351.329 -0.189 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@@H](O)C(F)(F)F ZINC000635341242 484126521 /nfs/dbraw/zinc/12/65/21/484126521.db2.gz NKRNBNKWTSHMTA-WCBMZHEXSA-N 0 3 351.329 -0.189 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@H](O)C(F)(F)F ZINC000635341243 484125073 /nfs/dbraw/zinc/12/50/73/484125073.db2.gz NKRNBNKWTSHMTA-WPRPVWTQSA-N 0 3 351.329 -0.189 20 0 FBADHN CN(CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)CC(C)(C)C ZINC000635388544 483993845 /nfs/dbraw/zinc/99/38/45/483993845.db2.gz ZQEGYMBUASVPNE-UHFFFAOYSA-N 0 3 366.462 -0.216 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000635420830 483996025 /nfs/dbraw/zinc/99/60/25/483996025.db2.gz CQSNFZDSIDIYNW-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000635420831 483995903 /nfs/dbraw/zinc/99/59/03/483995903.db2.gz CQSNFZDSIDIYNW-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN COCCOCCN(C)CCC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000635423548 483998648 /nfs/dbraw/zinc/99/86/48/483998648.db2.gz FLWCEZCYSFVETQ-AWEZNQCLSA-N 0 3 365.496 -0.489 20 0 FBADHN COCCOCCN(C)CCC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000635423553 483997998 /nfs/dbraw/zinc/99/79/98/483997998.db2.gz FLWCEZCYSFVETQ-CQSZACIVSA-N 0 3 365.496 -0.489 20 0 FBADHN O=C(C[C@@H]1CCCS1(=O)=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000635495954 484007452 /nfs/dbraw/zinc/00/74/52/484007452.db2.gz AOYQOOHNKPTTJX-AWEZNQCLSA-N 0 3 357.476 -0.280 20 0 FBADHN O=C(C[C@H]1CCCS1(=O)=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000635495959 484007989 /nfs/dbraw/zinc/00/79/89/484007989.db2.gz AOYQOOHNKPTTJX-CQSZACIVSA-N 0 3 357.476 -0.280 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC000635498803 484008436 /nfs/dbraw/zinc/00/84/36/484008436.db2.gz IDNTWNBEVMWRLL-AWEZNQCLSA-N 0 3 359.492 -0.034 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC000635498804 484008803 /nfs/dbraw/zinc/00/88/03/484008803.db2.gz IDNTWNBEVMWRLL-CQSZACIVSA-N 0 3 359.492 -0.034 20 0 FBADHN C[C@H](C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)N(C)C ZINC000635530410 484024035 /nfs/dbraw/zinc/02/40/35/484024035.db2.gz AEGAAFBPRUAMMZ-OAHLLOKOSA-N 0 3 353.511 -0.367 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)CCN(C)CCOCCOC)C1 ZINC000635563500 484056389 /nfs/dbraw/zinc/05/63/89/484056389.db2.gz QNZJCTFOZTWWMI-AWEZNQCLSA-N 0 3 365.496 -0.489 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCN(C)CCOCCOC)C1 ZINC000635563509 484057972 /nfs/dbraw/zinc/05/79/72/484057972.db2.gz QNZJCTFOZTWWMI-CQSZACIVSA-N 0 3 365.496 -0.489 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)C1 ZINC000635570308 484066203 /nfs/dbraw/zinc/06/62/03/484066203.db2.gz ATLJTIVBACFTAD-BBWFWOEESA-N 0 3 374.489 -0.345 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)C1 ZINC000635570309 484065451 /nfs/dbraw/zinc/06/54/51/484065451.db2.gz ATLJTIVBACFTAD-GVDBMIGSSA-N 0 3 374.489 -0.345 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)C1 ZINC000635570310 484064707 /nfs/dbraw/zinc/06/47/07/484064707.db2.gz ATLJTIVBACFTAD-ULQDDVLXSA-N 0 3 374.489 -0.345 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)C1 ZINC000635570311 484064622 /nfs/dbraw/zinc/06/46/22/484064622.db2.gz ATLJTIVBACFTAD-YESZJQIVSA-N 0 3 374.489 -0.345 20 0 FBADHN CC(C)(CN1CCOCC1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000635573676 484065136 /nfs/dbraw/zinc/06/51/36/484065136.db2.gz YJVUAOAMDLPMPO-KRWDZBQOSA-N 0 3 368.522 -0.133 20 0 FBADHN CC(C)(CN1CCOCC1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000635573677 484065816 /nfs/dbraw/zinc/06/58/16/484065816.db2.gz YJVUAOAMDLPMPO-QGZVFWFLSA-N 0 3 368.522 -0.133 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000635575598 484068066 /nfs/dbraw/zinc/06/80/66/484068066.db2.gz JELWGAKWIPPXLV-CYBMUJFWSA-N 0 3 351.469 -0.879 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000635575606 484067978 /nfs/dbraw/zinc/06/79/78/484067978.db2.gz JELWGAKWIPPXLV-ZDUSSCGKSA-N 0 3 351.469 -0.879 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCN(C)C2=O)cn1 ZINC000635605670 484074424 /nfs/dbraw/zinc/07/44/24/484074424.db2.gz NCHWYSJJRCABSN-AWEZNQCLSA-N 0 3 364.450 -0.242 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCN(C)C2=O)cn1 ZINC000635605679 484074031 /nfs/dbraw/zinc/07/40/31/484074031.db2.gz NCHWYSJJRCABSN-CQSZACIVSA-N 0 3 364.450 -0.242 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)CCN(C)C2=O)cn1 ZINC000635607351 484074135 /nfs/dbraw/zinc/07/41/35/484074135.db2.gz ZSMLPHDNEUMPDH-INIZCTEOSA-N 0 3 350.423 -0.632 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)CCN(C)C2=O)cn1 ZINC000635607352 484073829 /nfs/dbraw/zinc/07/38/29/484073829.db2.gz ZSMLPHDNEUMPDH-MRXNPFEDSA-N 0 3 350.423 -0.632 20 0 FBADHN CN(C)[C@]1(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)CCSC1 ZINC000635649550 484084169 /nfs/dbraw/zinc/08/41/69/484084169.db2.gz WGRJVIHTJMUGLZ-IOASZLSFSA-N 0 3 351.476 -0.030 20 0 FBADHN CN(C)[C@]1(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CCSC1 ZINC000635649551 484084204 /nfs/dbraw/zinc/08/42/04/484084204.db2.gz WGRJVIHTJMUGLZ-WWGRRREGSA-N 0 3 351.476 -0.030 20 0 FBADHN CN(C)[C@]1(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CCSC1 ZINC000635649552 484084380 /nfs/dbraw/zinc/08/43/80/484084380.db2.gz WGRJVIHTJMUGLZ-XEZPLFJOSA-N 0 3 351.476 -0.030 20 0 FBADHN CN(C)[C@]1(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CCSC1 ZINC000635649553 484084268 /nfs/dbraw/zinc/08/42/68/484084268.db2.gz WGRJVIHTJMUGLZ-ZENOOKHLSA-N 0 3 351.476 -0.030 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000635653985 484085972 /nfs/dbraw/zinc/08/59/72/484085972.db2.gz BQZHQVGLLMUMIF-UHFFFAOYSA-N 0 3 367.450 -0.420 20 0 FBADHN CCN1C(=O)[C@@H]2CN(C(=O)CCN(C)CCOCCOC)CCN2C1=O ZINC000635657142 484087936 /nfs/dbraw/zinc/08/79/36/484087936.db2.gz GOVVWYSGOXTFMP-AWEZNQCLSA-N 0 3 370.450 -0.534 20 0 FBADHN CCN1C(=O)[C@H]2CN(C(=O)CCN(C)CCOCCOC)CCN2C1=O ZINC000635657153 484088435 /nfs/dbraw/zinc/08/84/35/484088435.db2.gz GOVVWYSGOXTFMP-CQSZACIVSA-N 0 3 370.450 -0.534 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000635663718 484506195 /nfs/dbraw/zinc/50/61/95/484506195.db2.gz KIQNSYNUDHNVJN-UHFFFAOYSA-N 0 3 372.495 -0.246 20 0 FBADHN CN(C)C(=O)CCN1CCN(C(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635689886 484094599 /nfs/dbraw/zinc/09/45/99/484094599.db2.gz OUMAZCOBVLFTPH-UHFFFAOYSA-N 0 3 354.495 -0.033 20 0 FBADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)N(C)C)[C@H](C(=O)N(C)C)C1)N(C)C ZINC000635700679 484099352 /nfs/dbraw/zinc/09/93/52/484099352.db2.gz UBXBMUZGXSLTNT-MCIONIFRSA-N 0 3 355.483 -0.986 20 0 FBADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)N(C)C)[C@@H](C(=O)N(C)C)C1)N(C)C ZINC000635700694 484099449 /nfs/dbraw/zinc/09/94/49/484099449.db2.gz UBXBMUZGXSLTNT-MGPQQGTHSA-N 0 3 355.483 -0.986 20 0 FBADHN 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/nfs/dbraw/zinc/69/17/17/483691717.db2.gz KPDYASJGHBQQRY-LJQANCHMSA-N 0 3 360.458 -0.175 20 0 FBADHN O=C(CN1CCNCC1)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000638095001 483691508 /nfs/dbraw/zinc/69/15/08/483691508.db2.gz OBUBJEOSTOYELC-UHFFFAOYSA-N 0 3 359.474 -0.648 20 0 FBADHN O=C(CN1CCNCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000638097859 483691594 /nfs/dbraw/zinc/69/15/94/483691594.db2.gz ICPFRLVTMWTPSZ-UHFFFAOYSA-N 0 3 370.461 -0.788 20 0 FBADHN CC1CCC(NC(=O)CN2CCN(C(=O)CN3CCNCC3)CC2)CC1 ZINC000638098469 483691651 /nfs/dbraw/zinc/69/16/51/483691651.db2.gz MQMFIGYTBDLDEQ-UHFFFAOYSA-N 0 3 365.522 -0.269 20 0 FBADHN CC1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)CC1 ZINC000638098787 483691429 /nfs/dbraw/zinc/69/14/29/483691429.db2.gz OUSSDIDRWMMFFY-UMPYDWHISA-N 0 3 352.479 -0.058 20 0 FBADHN CN(C(=O)CN1CCN(C(=O)CN2CCNCC2)CC1)C1CCCCC1 ZINC000638098792 483691382 /nfs/dbraw/zinc/69/13/82/483691382.db2.gz PFWPQFFUBBXHQU-UHFFFAOYSA-N 0 3 365.522 -0.173 20 0 FBADHN O=C(CN1CCN(C(=O)CN2CCNCC2)CC1)NC1CCCCC1 ZINC000638098997 483691581 /nfs/dbraw/zinc/69/15/81/483691581.db2.gz RGNAJPROVUBTBB-UHFFFAOYSA-N 0 3 351.495 -0.515 20 0 FBADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638099357 483691602 /nfs/dbraw/zinc/69/16/02/483691602.db2.gz UGTYOGDSLRCCLX-PNBKFKSVSA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638099358 483691534 /nfs/dbraw/zinc/69/15/34/483691534.db2.gz UGTYOGDSLRCCLX-QBYUYEEZSA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638099359 483691493 /nfs/dbraw/zinc/69/14/93/483691493.db2.gz UGTYOGDSLRCCLX-QSJFSLAZSA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)C1 ZINC000638099360 483691403 /nfs/dbraw/zinc/69/14/03/483691403.db2.gz UGTYOGDSLRCCLX-WBTNSWJXSA-N 0 3 352.479 -0.058 20 0 FBADHN COC[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCCN1 ZINC000638100277 483692426 /nfs/dbraw/zinc/69/24/26/483692426.db2.gz XVABZILBNFPKBG-GOSISDBHSA-N 0 3 352.479 -0.088 20 0 FBADHN COC[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCCN1 ZINC000638100278 483692009 /nfs/dbraw/zinc/69/20/09/483692009.db2.gz XVABZILBNFPKBG-SFHVURJKSA-N 0 3 352.479 -0.088 20 0 FBADHN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CN3CCNCC3)CC2)C1 ZINC000638100379 483692379 /nfs/dbraw/zinc/69/23/79/483692379.db2.gz YYRUYZSLJUCAGM-DLBZAZTESA-N 0 3 365.522 -0.269 20 0 FBADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CN3CCNCC3)CC2)C1 ZINC000638100380 483691958 /nfs/dbraw/zinc/69/19/58/483691958.db2.gz YYRUYZSLJUCAGM-IAGOWNOFSA-N 0 3 365.522 -0.269 20 0 FBADHN C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CN3CCNCC3)CC2)C1 ZINC000638100381 483691925 /nfs/dbraw/zinc/69/19/25/483691925.db2.gz YYRUYZSLJUCAGM-IRXDYDNUSA-N 0 3 365.522 -0.269 20 0 FBADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CN3CCNCC3)CC2)C1 ZINC000638100382 483691934 /nfs/dbraw/zinc/69/19/34/483691934.db2.gz YYRUYZSLJUCAGM-SJORKVTESA-N 0 3 365.522 -0.269 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638102624 483692231 /nfs/dbraw/zinc/69/22/31/483692231.db2.gz JWPXMVRQHMHRCP-HNNXBMFYSA-N 0 3 351.495 -0.517 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638102630 483692198 /nfs/dbraw/zinc/69/21/98/483692198.db2.gz JWPXMVRQHMHRCP-OAHLLOKOSA-N 0 3 351.495 -0.517 20 0 FBADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000638103774 483691953 /nfs/dbraw/zinc/69/19/53/483691953.db2.gz CFTUFIJWRBOERX-CVEARBPZSA-N 0 3 364.421 -0.184 20 0 FBADHN O=C(CN1CCNCC1)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000638103980 483692186 /nfs/dbraw/zinc/69/21/86/483692186.db2.gz DPYFAUPKHFSBNE-UHFFFAOYSA-N 0 3 365.522 -0.268 20 0 FBADHN CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2)CC1 ZINC000638104283 483692393 /nfs/dbraw/zinc/69/23/93/483692393.db2.gz FZNPRFXCHILXNY-DOTOQJQBSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C(=O)CN3CCNCC3)CC2)CC1 ZINC000638104753 483692298 /nfs/dbraw/zinc/69/22/98/483692298.db2.gz MFLCMQUBMRFVHE-UHFFFAOYSA-N 0 3 351.495 -0.706 20 0 FBADHN N[C@@H]1CCO[C@@H]1C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000638104791 483691929 /nfs/dbraw/zinc/69/19/29/483691929.db2.gz MPJFFUBNTQNKNW-CVEARBPZSA-N 0 3 352.479 -0.057 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)CNCCO3)CC2)CC1 ZINC000638104827 483692477 /nfs/dbraw/zinc/69/24/77/483692477.db2.gz NILRJQORYWXRQF-GOSISDBHSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)CNCCO3)CC2)CC1 ZINC000638104828 483692169 /nfs/dbraw/zinc/69/21/69/483692169.db2.gz NILRJQORYWXRQF-SFHVURJKSA-N 0 3 352.479 -0.232 20 0 FBADHN CCN1CCN(C(=O)CC2CCN(C(=O)CN3CCNCC3)CC2)CC1 ZINC000638105524 483691917 /nfs/dbraw/zinc/69/19/17/483691917.db2.gz UCAMHRLNCMDHQY-UHFFFAOYSA-N 0 3 365.522 -0.316 20 0 FBADHN COC[C@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCCCN1 ZINC000638118212 483692901 /nfs/dbraw/zinc/69/29/01/483692901.db2.gz QYKCQVJFSRWXCU-AEFFLSMTSA-N 0 3 354.495 -0.332 20 0 FBADHN COC[C@@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCCCN1 ZINC000638118213 483692962 /nfs/dbraw/zinc/69/29/62/483692962.db2.gz QYKCQVJFSRWXCU-FUHWJXTLSA-N 0 3 354.495 -0.332 20 0 FBADHN COC[C@@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCCCN1 ZINC000638118214 483692880 /nfs/dbraw/zinc/69/28/80/483692880.db2.gz QYKCQVJFSRWXCU-SJLPKXTDSA-N 0 3 354.495 -0.332 20 0 FBADHN COC[C@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCCCN1 ZINC000638118215 483692872 /nfs/dbraw/zinc/69/28/72/483692872.db2.gz QYKCQVJFSRWXCU-WMZOPIPTSA-N 0 3 354.495 -0.332 20 0 FBADHN COC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCCN1 ZINC000638123835 483693204 /nfs/dbraw/zinc/69/32/04/483693204.db2.gz UVYGAOSKORYWEG-CRAIPNDOSA-N 0 3 368.478 -0.806 20 0 FBADHN COC[C@@]1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCCCN1 ZINC000638123855 483693905 /nfs/dbraw/zinc/69/39/05/483693905.db2.gz UVYGAOSKORYWEG-MAUKXSAKSA-N 0 3 368.478 -0.806 20 0 FBADHN COC[C@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCCN1 ZINC000638123856 483693947 /nfs/dbraw/zinc/69/39/47/483693947.db2.gz UVYGAOSKORYWEG-QAPCUYQASA-N 0 3 368.478 -0.806 20 0 FBADHN COC[C@]1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCCCN1 ZINC000638123860 483694002 /nfs/dbraw/zinc/69/40/02/483694002.db2.gz UVYGAOSKORYWEG-YJBOKZPZSA-N 0 3 368.478 -0.806 20 0 FBADHN CC(C)(C)c1nc(CN2CCN(C(=O)CN3CCNCC3)CC2)no1 ZINC000638124115 483694949 /nfs/dbraw/zinc/69/49/49/483694949.db2.gz VNOIDXDSSCAPDB-UHFFFAOYSA-N 0 3 350.467 -0.084 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000638126017 483695134 /nfs/dbraw/zinc/69/51/34/483695134.db2.gz OKUAFEVKGNDJIK-INIZCTEOSA-N 0 3 361.490 -0.146 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000638126018 483695215 /nfs/dbraw/zinc/69/52/15/483695215.db2.gz OKUAFEVKGNDJIK-MRXNPFEDSA-N 0 3 361.490 -0.146 20 0 FBADHN CCO[C@@H](C)c1noc(CN2CCN(C(=O)CN3CCNCC3)CC2)n1 ZINC000638127605 483696336 /nfs/dbraw/zinc/69/63/36/483696336.db2.gz DUDJJWHOMQUYPJ-AWEZNQCLSA-N 0 3 366.466 -0.284 20 0 FBADHN CCO[C@H](C)c1noc(CN2CCN(C(=O)CN3CCNCC3)CC2)n1 ZINC000638127606 483696424 /nfs/dbraw/zinc/69/64/24/483696424.db2.gz DUDJJWHOMQUYPJ-CQSZACIVSA-N 0 3 366.466 -0.284 20 0 FBADHN CO[C@@H](C)c1noc(CN2CCCN(C(=O)CN3CCNCC3)CC2)n1 ZINC000638132174 483700364 /nfs/dbraw/zinc/70/03/64/483700364.db2.gz FOURSKYJGWKKKE-AWEZNQCLSA-N 0 3 366.466 -0.284 20 0 FBADHN CO[C@H](C)c1noc(CN2CCCN(C(=O)CN3CCNCC3)CC2)n1 ZINC000638132175 483700304 /nfs/dbraw/zinc/70/03/04/483700304.db2.gz FOURSKYJGWKKKE-CQSZACIVSA-N 0 3 366.466 -0.284 20 0 FBADHN CN1CCN(C(=O)Cc2cccc(NC(=O)CN3CCNCC3)c2)CC1 ZINC000638133892 483700614 /nfs/dbraw/zinc/70/06/14/483700614.db2.gz YNNKCBMXKSOMMB-UHFFFAOYSA-N 0 3 359.474 -0.153 20 0 FBADHN C[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)N1CCNCC1=O ZINC000638136623 483703188 /nfs/dbraw/zinc/70/31/88/483703188.db2.gz JEQGJXUXHPDEST-INIZCTEOSA-N 0 3 373.501 -0.130 20 0 FBADHN C[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)N1CCNCC1=O ZINC000638136624 483703045 /nfs/dbraw/zinc/70/30/45/483703045.db2.gz JEQGJXUXHPDEST-MRXNPFEDSA-N 0 3 373.501 -0.130 20 0 FBADHN C[C@]1(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CNCCO1 ZINC000638140615 483703995 /nfs/dbraw/zinc/70/39/95/483703995.db2.gz OAZHDGRVBRDAPX-GOSISDBHSA-N 0 3 362.478 -0.127 20 0 FBADHN C[C@@]1(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CNCCO1 ZINC000638140617 483704163 /nfs/dbraw/zinc/70/41/63/483704163.db2.gz OAZHDGRVBRDAPX-SFHVURJKSA-N 0 3 362.478 -0.127 20 0 FBADHN COC[C@]1(C(=O)N2CCO[C@H](CN3CCN(C)CC3)C2)CCCCN1 ZINC000638141297 483703626 /nfs/dbraw/zinc/70/36/26/483703626.db2.gz SHYUUMLCTZVNFD-AEFFLSMTSA-N 0 3 354.495 -0.380 20 0 FBADHN COC[C@@]1(C(=O)N2CCO[C@@H](CN3CCN(C)CC3)C2)CCCCN1 ZINC000638141299 483704061 /nfs/dbraw/zinc/70/40/61/483704061.db2.gz SHYUUMLCTZVNFD-FUHWJXTLSA-N 0 3 354.495 -0.380 20 0 FBADHN COC[C@@]1(C(=O)N2CCO[C@H](CN3CCN(C)CC3)C2)CCCCN1 ZINC000638141302 483704177 /nfs/dbraw/zinc/70/41/77/483704177.db2.gz SHYUUMLCTZVNFD-SJLPKXTDSA-N 0 3 354.495 -0.380 20 0 FBADHN COC[C@]1(C(=O)N2CCO[C@@H](CN3CCN(C)CC3)C2)CCCCN1 ZINC000638141305 483703671 /nfs/dbraw/zinc/70/36/71/483703671.db2.gz SHYUUMLCTZVNFD-WMZOPIPTSA-N 0 3 354.495 -0.380 20 0 FBADHN C[C@@H](C(=O)NCCCN1CCN(c2ccncc2)CC1)N1CCNCC1=O ZINC000638142125 483705395 /nfs/dbraw/zinc/70/53/95/483705395.db2.gz YKXGSIHKJWHNNM-INIZCTEOSA-N 0 3 374.489 -0.470 20 0 FBADHN C[C@H](C(=O)NCCCN1CCN(c2ccncc2)CC1)N1CCNCC1=O ZINC000638142127 483705070 /nfs/dbraw/zinc/70/50/70/483705070.db2.gz YKXGSIHKJWHNNM-MRXNPFEDSA-N 0 3 374.489 -0.470 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)NCCNCCOC)[C@H]1c1ccnn1C ZINC000638151959 483709532 /nfs/dbraw/zinc/70/95/32/483709532.db2.gz HBYUFQCWJVLWIE-CABCVRRESA-N 0 3 353.423 -0.939 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)NCCNCCOC)[C@H]1c1nccn1C ZINC000638154342 483710476 /nfs/dbraw/zinc/71/04/76/483710476.db2.gz UHKIQKZCLYWVSF-KBPBESRZSA-N 0 3 353.423 -0.939 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000638172832 483717728 /nfs/dbraw/zinc/71/77/28/483717728.db2.gz ARLWGNABDROIPN-INIZCTEOSA-N 0 3 370.494 -0.606 20 0 FBADHN COCCOCCN(C)CCC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000638172838 483717332 /nfs/dbraw/zinc/71/73/32/483717332.db2.gz ARLWGNABDROIPN-MRXNPFEDSA-N 0 3 370.494 -0.606 20 0 FBADHN COc1cccc(C[C@@H](N)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000638172850 483717698 /nfs/dbraw/zinc/71/76/98/483717698.db2.gz AUAJPFCXRVPQOB-DOTOQJQBSA-N 0 3 360.458 -0.012 20 0 FBADHN COc1cccc(C[C@@H](N)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000638172852 483717742 /nfs/dbraw/zinc/71/77/42/483717742.db2.gz AUAJPFCXRVPQOB-NVXWUHKLSA-N 0 3 360.458 -0.012 20 0 FBADHN COc1cccc(C[C@H](N)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000638172854 483717902 /nfs/dbraw/zinc/71/79/02/483717902.db2.gz AUAJPFCXRVPQOB-RDJZCZTQSA-N 0 3 360.458 -0.012 20 0 FBADHN COc1cccc(C[C@H](N)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000638172856 483717558 /nfs/dbraw/zinc/71/75/58/483717558.db2.gz AUAJPFCXRVPQOB-WBVHZDCISA-N 0 3 360.458 -0.012 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000638174873 483717568 /nfs/dbraw/zinc/71/75/68/483717568.db2.gz STEMLNWLUJUEKF-MSOLQXFVSA-N 0 3 373.501 -0.132 20 0 FBADHN 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FBADHN COC[C@@]1(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)CCCCN1 ZINC000638319110 483767084 /nfs/dbraw/zinc/76/70/84/483767084.db2.gz ZWFSHOYAYQINCH-QGZVFWFLSA-N 0 3 373.519 -0.134 20 0 FBADHN O=C(CN1CCNCC1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000638320018 483766765 /nfs/dbraw/zinc/76/67/65/483766765.db2.gz DLBQDUOOSAQOSY-UHFFFAOYSA-N 0 3 370.450 -0.113 20 0 FBADHN O=C(CN1CC[NH2+]CC1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000638325624 483768608 /nfs/dbraw/zinc/76/86/08/483768608.db2.gz IZIZRVBLIBLPCS-UHFFFAOYSA-N 0 3 362.402 -0.736 20 0 FBADHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CN1CCNCC1 ZINC000638325862 483768799 /nfs/dbraw/zinc/76/87/99/483768799.db2.gz SQBGCJONPGUIMI-AWEZNQCLSA-N 0 3 354.476 -0.235 20 0 FBADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CN1CCNCC1 ZINC000638325897 483768662 /nfs/dbraw/zinc/76/86/62/483768662.db2.gz SQBGCJONPGUIMI-CQSZACIVSA-N 0 3 354.476 -0.235 20 0 FBADHN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1OCC[C@@H]1N)C2 ZINC000638325908 483768744 /nfs/dbraw/zinc/76/87/44/483768744.db2.gz 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483784226 /nfs/dbraw/zinc/78/42/26/483784226.db2.gz DESXUGBIMOWTTF-INIZCTEOSA-N 0 3 368.503 -0.060 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000638369591 483783852 /nfs/dbraw/zinc/78/38/52/483783852.db2.gz DESXUGBIMOWTTF-MRXNPFEDSA-N 0 3 368.503 -0.060 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000638387444 483788886 /nfs/dbraw/zinc/78/88/86/483788886.db2.gz UKCQYGXDGOWJHQ-CABCVRRESA-N 0 3 354.476 -0.404 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000638387445 483789443 /nfs/dbraw/zinc/78/94/43/483789443.db2.gz UKCQYGXDGOWJHQ-GJZGRUSLSA-N 0 3 354.476 -0.404 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000638387446 483789056 /nfs/dbraw/zinc/78/90/56/483789056.db2.gz UKCQYGXDGOWJHQ-HUUCEWRRSA-N 0 3 354.476 -0.404 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000638387447 483789397 /nfs/dbraw/zinc/78/93/97/483789397.db2.gz UKCQYGXDGOWJHQ-LSDHHAIUSA-N 0 3 354.476 -0.404 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCN(c2nncn2C)CC1 ZINC000638394748 483790858 /nfs/dbraw/zinc/79/08/58/483790858.db2.gz HUABTRGJBYXPGB-INIZCTEOSA-N 0 3 357.462 -0.077 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(c2nncn2C)CC1 ZINC000638394749 483790532 /nfs/dbraw/zinc/79/05/32/483790532.db2.gz HUABTRGJBYXPGB-MRXNPFEDSA-N 0 3 357.462 -0.077 20 0 FBADHN O=C(CN1CCNCC1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000638395007 483790394 /nfs/dbraw/zinc/79/03/94/483790394.db2.gz OPAUIZLJAFYTSL-UHFFFAOYSA-N 0 3 366.487 -0.139 20 0 FBADHN COCCc1ccc(OC[C@@H](O)CNC(=O)CN2CCNCC2)cc1 ZINC000638402811 483792467 /nfs/dbraw/zinc/79/24/67/483792467.db2.gz UBCZRTSQNDJREN-INIZCTEOSA-N 0 3 351.447 -0.363 20 0 FBADHN COCCc1ccc(OC[C@H](O)CNC(=O)CN2CCNCC2)cc1 ZINC000638402812 483792400 /nfs/dbraw/zinc/79/24/00/483792400.db2.gz UBCZRTSQNDJREN-MRXNPFEDSA-N 0 3 351.447 -0.363 20 0 FBADHN O=C(CN1CCNCC1)NCCNC(=O)c1ccc(Br)cn1 ZINC000638404714 483792998 /nfs/dbraw/zinc/79/29/98/483792998.db2.gz LDQWDAXSVZSVJI-UHFFFAOYSA-N 0 3 370.251 -0.405 20 0 FBADHN O=C(CN1CCNCC1)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000638406394 483793511 /nfs/dbraw/zinc/79/35/11/483793511.db2.gz IAPVFDCVJIUYGB-IYBDPMFKSA-N 0 3 356.426 -0.465 20 0 FBADHN C[C@H](C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)N1CCNCC1=O ZINC000638407446 483793390 /nfs/dbraw/zinc/79/33/90/483793390.db2.gz WCURLNLYXPISOG-PBHICJAKSA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@H](C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)N1CCNCC1=O ZINC000638407447 483793063 /nfs/dbraw/zinc/79/30/63/483793063.db2.gz WCURLNLYXPISOG-RHSMWYFYSA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@@H](C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)N1CCNCC1=O ZINC000638407448 483792969 /nfs/dbraw/zinc/79/29/69/483792969.db2.gz WCURLNLYXPISOG-WMLDXEAASA-N 0 3 360.458 -0.310 20 0 FBADHN C[C@@H](C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)N1CCNCC1=O ZINC000638407449 483793522 /nfs/dbraw/zinc/79/35/22/483793522.db2.gz WCURLNLYXPISOG-YOEHRIQHSA-N 0 3 360.458 -0.310 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638414369 483795948 /nfs/dbraw/zinc/79/59/48/483795948.db2.gz OQQOZTWPSAURAS-KRWDZBQOSA-N 0 3 363.506 -0.076 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638414370 483795973 /nfs/dbraw/zinc/79/59/73/483795973.db2.gz OQQOZTWPSAURAS-QGZVFWFLSA-N 0 3 363.506 -0.076 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CCN1S(C)(=O)=O ZINC000638420177 483797873 /nfs/dbraw/zinc/79/78/73/483797873.db2.gz RXGCCSJMZSNNHE-GDBMZVCRSA-N 0 3 368.503 -0.062 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CCN1S(C)(=O)=O ZINC000638420180 483797779 /nfs/dbraw/zinc/79/77/79/483797779.db2.gz RXGCCSJMZSNNHE-ZBFHGGJFSA-N 0 3 368.503 -0.062 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H]1c1nccn1C ZINC000638429453 483799954 /nfs/dbraw/zinc/79/99/54/483799954.db2.gz CMVSGOAJFPEUCP-RFHZTLPTSA-N 0 3 353.398 -0.394 20 0 FBADHN CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H]1c1ccnn1C ZINC000638432266 483800558 /nfs/dbraw/zinc/80/05/58/483800558.db2.gz WWPCXGNGNBNZLZ-FKGLVLAHSA-N 0 3 353.398 -0.394 20 0 FBADHN O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638438856 483801548 /nfs/dbraw/zinc/80/15/48/483801548.db2.gz FAQCUIJSLSCGHI-GFCCVEGCSA-N 0 3 367.475 -0.430 20 0 FBADHN O=C(C1CS(=O)(=O)C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638438857 483801979 /nfs/dbraw/zinc/80/19/79/483801979.db2.gz FAQCUIJSLSCGHI-LBPRGKRZSA-N 0 3 367.475 -0.430 20 0 FBADHN C[C@]1(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CNCCO1 ZINC000638441053 483801828 /nfs/dbraw/zinc/80/18/28/483801828.db2.gz SMWVCJOHJXRWRB-KBXCAEBGSA-N 0 3 362.478 -0.096 20 0 FBADHN C[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CNCCO1 ZINC000638441054 483801518 /nfs/dbraw/zinc/80/15/18/483801518.db2.gz SMWVCJOHJXRWRB-KDOFPFPSSA-N 0 3 362.478 -0.096 20 0 FBADHN C[C@@]1(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CNCCO1 ZINC000638441055 483801602 /nfs/dbraw/zinc/80/16/02/483801602.db2.gz SMWVCJOHJXRWRB-KSSFIOAISA-N 0 3 362.478 -0.096 20 0 FBADHN C[C@]1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CNCCO1 ZINC000638441056 483801688 /nfs/dbraw/zinc/80/16/88/483801688.db2.gz SMWVCJOHJXRWRB-RDTXWAMCSA-N 0 3 362.478 -0.096 20 0 FBADHN COc1cccc(C[C@@H](N)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000638446821 483801888 /nfs/dbraw/zinc/80/18/88/483801888.db2.gz SNUOBDPMIAWWQZ-DOTOQJQBSA-N 0 3 351.447 -0.284 20 0 FBADHN COc1cccc(C[C@@H](N)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000638446822 483801496 /nfs/dbraw/zinc/80/14/96/483801496.db2.gz SNUOBDPMIAWWQZ-NVXWUHKLSA-N 0 3 351.447 -0.284 20 0 FBADHN COc1cccc(C[C@H](N)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000638446823 483801473 /nfs/dbraw/zinc/80/14/73/483801473.db2.gz SNUOBDPMIAWWQZ-RDJZCZTQSA-N 0 3 351.447 -0.284 20 0 FBADHN COc1cccc(C[C@H](N)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000638446825 483801997 /nfs/dbraw/zinc/80/19/97/483801997.db2.gz SNUOBDPMIAWWQZ-WBVHZDCISA-N 0 3 351.447 -0.284 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000638446999 483801563 /nfs/dbraw/zinc/80/15/63/483801563.db2.gz YYROLYKZKQJRDV-MSOLQXFVSA-N 0 3 364.490 -0.403 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000638447000 483801511 /nfs/dbraw/zinc/80/15/11/483801511.db2.gz YYROLYKZKQJRDV-QZTJIDSGSA-N 0 3 364.490 -0.403 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000638447001 483801728 /nfs/dbraw/zinc/80/17/28/483801728.db2.gz YYROLYKZKQJRDV-ROUUACIJSA-N 0 3 364.490 -0.403 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000638447002 483801634 /nfs/dbraw/zinc/80/16/34/483801634.db2.gz YYROLYKZKQJRDV-ZWKOTPCHSA-N 0 3 364.490 -0.403 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCN(c2nccnn2)CC1 ZINC000638463379 483803166 /nfs/dbraw/zinc/80/31/66/483803166.db2.gz FKUXYKSOHRJLEX-INIZCTEOSA-N 0 3 355.446 -0.021 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(c2nccnn2)CC1 ZINC000638463385 483803212 /nfs/dbraw/zinc/80/32/12/483803212.db2.gz FKUXYKSOHRJLEX-MRXNPFEDSA-N 0 3 355.446 -0.021 20 0 FBADHN CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)CN3CCNCC3)CCO2)cc1 ZINC000638466213 483803864 /nfs/dbraw/zinc/80/38/64/483803864.db2.gz XUHOAJMFWSLIHX-INIZCTEOSA-N 0 3 367.471 -0.105 20 0 FBADHN CS(=O)(=O)c1ccc([C@H]2CN(C(=O)CN3CCNCC3)CCO2)cc1 ZINC000638466214 483803604 /nfs/dbraw/zinc/80/36/04/483803604.db2.gz XUHOAJMFWSLIHX-MRXNPFEDSA-N 0 3 367.471 -0.105 20 0 FBADHN COc1ccccc1[C@H](N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638476740 483805889 /nfs/dbraw/zinc/80/58/89/483805889.db2.gz HWJUDTBFJXBWGH-INIZCTEOSA-N 0 3 361.446 -0.136 20 0 FBADHN COc1ccccc1[C@@H](N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638476741 483805704 /nfs/dbraw/zinc/80/57/04/483805704.db2.gz HWJUDTBFJXBWGH-MRXNPFEDSA-N 0 3 361.446 -0.136 20 0 FBADHN NC1(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)Cc2ccccc2C1 ZINC000638477204 483806049 /nfs/dbraw/zinc/80/60/49/483806049.db2.gz JZQGAXCXLLSWCF-UHFFFAOYSA-N 0 3 357.458 -0.348 20 0 FBADHN O=C([C@@H]1Cc2ccccc2CN1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638477338 483805789 /nfs/dbraw/zinc/80/57/89/483805789.db2.gz OHBJLXLPYOPEIL-KRWDZBQOSA-N 0 3 357.458 -0.130 20 0 FBADHN O=C([C@H]1Cc2ccccc2CN1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638477339 483805535 /nfs/dbraw/zinc/80/55/35/483805535.db2.gz OHBJLXLPYOPEIL-QGZVFWFLSA-N 0 3 357.458 -0.130 20 0 FBADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1(C)C ZINC000638480296 483806154 /nfs/dbraw/zinc/80/61/54/483806154.db2.gz KPZZZSIYIMQPQO-KBXCAEBGSA-N 0 3 367.494 -0.312 20 0 FBADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1(C)C ZINC000638480297 483806633 /nfs/dbraw/zinc/80/66/33/483806633.db2.gz KPZZZSIYIMQPQO-KDOFPFPSSA-N 0 3 367.494 -0.312 20 0 FBADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1(C)C ZINC000638480298 483806442 /nfs/dbraw/zinc/80/64/42/483806442.db2.gz KPZZZSIYIMQPQO-KSSFIOAISA-N 0 3 367.494 -0.312 20 0 FBADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)C1(C)C ZINC000638480299 483806429 /nfs/dbraw/zinc/80/64/29/483806429.db2.gz KPZZZSIYIMQPQO-RDTXWAMCSA-N 0 3 367.494 -0.312 20 0 FBADHN CC(C)(CN1CCOCC1)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638481014 483807090 /nfs/dbraw/zinc/80/70/90/483807090.db2.gz GAURJVICHRBAGK-UHFFFAOYSA-N 0 3 367.494 -0.486 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000638482536 483806942 /nfs/dbraw/zinc/80/69/42/483806942.db2.gz TWLNTSBWBVRGOW-UHFFFAOYSA-N 0 3 366.510 -0.817 20 0 FBADHN COc1cccc([C@H](N)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1 ZINC000638483093 483807408 /nfs/dbraw/zinc/80/74/08/483807408.db2.gz BRKDOVCELQCTCQ-INIZCTEOSA-N 0 3 361.446 -0.136 20 0 FBADHN COc1cccc([C@@H](N)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1 ZINC000638483094 483807238 /nfs/dbraw/zinc/80/72/38/483807238.db2.gz BRKDOVCELQCTCQ-MRXNPFEDSA-N 0 3 361.446 -0.136 20 0 FBADHN COC[C@]1(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)CCCCN1 ZINC000638484676 483807201 /nfs/dbraw/zinc/80/72/01/483807201.db2.gz GCTWSWUQUBKQJC-KRWDZBQOSA-N 0 3 353.467 -0.686 20 0 FBADHN COC[C@@]1(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)CCCCN1 ZINC000638484677 483807507 /nfs/dbraw/zinc/80/75/07/483807507.db2.gz GCTWSWUQUBKQJC-QGZVFWFLSA-N 0 3 353.467 -0.686 20 0 FBADHN CN(C)CCn1cc(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)cn1 ZINC000638486689 483807977 /nfs/dbraw/zinc/80/79/77/483807977.db2.gz UNWYFFKPHDWDFT-UHFFFAOYSA-N 0 3 363.466 -0.772 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000638489689 483808976 /nfs/dbraw/zinc/80/89/76/483808976.db2.gz NUKFPSGULJPLAV-CVEARBPZSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@@H]1CNCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000638489690 483809184 /nfs/dbraw/zinc/80/91/84/483809184.db2.gz NUKFPSGULJPLAV-HOTGVXAUSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000638489691 483809252 /nfs/dbraw/zinc/80/92/52/483809252.db2.gz NUKFPSGULJPLAV-HZPDHXFCSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@H]1CNCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000638489692 483809066 /nfs/dbraw/zinc/80/90/66/483809066.db2.gz NUKFPSGULJPLAV-JKSUJKDBSA-N 0 3 352.479 -0.377 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000638503049 483810658 /nfs/dbraw/zinc/81/06/58/483810658.db2.gz ZJPILQIUXBICMJ-CVEARBPZSA-N 0 3 363.462 -0.398 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000638503050 483810674 /nfs/dbraw/zinc/81/06/74/483810674.db2.gz ZJPILQIUXBICMJ-HOTGVXAUSA-N 0 3 363.462 -0.398 20 0 FBADHN CNC(=O)NC[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000638503051 483810923 /nfs/dbraw/zinc/81/09/23/483810923.db2.gz ZJPILQIUXBICMJ-HZPDHXFCSA-N 0 3 363.462 -0.398 20 0 FBADHN CNC(=O)NC[C@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000638503052 483811464 /nfs/dbraw/zinc/81/14/64/483811464.db2.gz ZJPILQIUXBICMJ-JKSUJKDBSA-N 0 3 363.462 -0.398 20 0 FBADHN CS(=O)(=O)C1(C(=O)NC[C@H]2CCCN2CC(F)F)CCNCC1 ZINC000638515532 483815495 /nfs/dbraw/zinc/81/54/95/483815495.db2.gz CTTYNKQKKSFGOI-LLVKDONJSA-N 0 3 353.435 -0.001 20 0 FBADHN CS(=O)(=O)C1(C(=O)NC[C@@H]2CCCN2CC(F)F)CCNCC1 ZINC000638515533 483815594 /nfs/dbraw/zinc/81/55/94/483815594.db2.gz CTTYNKQKKSFGOI-NSHDSACASA-N 0 3 353.435 -0.001 20 0 FBADHN C[C@H](C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1)N1CCNCC1=O ZINC000638526184 483817350 /nfs/dbraw/zinc/81/73/50/483817350.db2.gz GOXVMGUJWCNOQC-CYBMUJFWSA-N 0 3 361.446 -0.263 20 0 FBADHN C[C@@H](C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1)N1CCNCC1=O ZINC000638526186 483817662 /nfs/dbraw/zinc/81/76/62/483817662.db2.gz GOXVMGUJWCNOQC-ZDUSSCGKSA-N 0 3 361.446 -0.263 20 0 FBADHN COC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCCCN1 ZINC000638533816 483819415 /nfs/dbraw/zinc/81/94/15/483819415.db2.gz GAZNNMOJTXTYTH-CXAGYDPISA-N 0 3 359.434 -0.022 20 0 FBADHN COC[C@]1(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCCCN1 ZINC000638533817 483819437 /nfs/dbraw/zinc/81/94/37/483819437.db2.gz GAZNNMOJTXTYTH-DYVFJYSZSA-N 0 3 359.434 -0.022 20 0 FBADHN COC[C@]1(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCCCN1 ZINC000638533818 483819609 /nfs/dbraw/zinc/81/96/09/483819609.db2.gz GAZNNMOJTXTYTH-GUYCJALGSA-N 0 3 359.434 -0.022 20 0 FBADHN COC[C@@]1(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCCCN1 ZINC000638533819 483819516 /nfs/dbraw/zinc/81/95/16/483819516.db2.gz GAZNNMOJTXTYTH-SUMWQHHRSA-N 0 3 359.434 -0.022 20 0 FBADHN CN1CCN(C(=O)CCNCC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638548776 483821719 /nfs/dbraw/zinc/82/17/19/483821719.db2.gz FSXQOUGSZSNUDG-UHFFFAOYSA-N 0 3 360.524 -0.009 20 0 FBADHN CS(=O)(=O)N1CCN(CCNCc2cc3c(cn2)OCCO3)CC1 ZINC000638562099 483823488 /nfs/dbraw/zinc/82/34/88/483823488.db2.gz VMELODGDFHHAKU-UHFFFAOYSA-N 0 3 356.448 -0.480 20 0 FBADHN CS(=O)(=O)N1CCN(CCNCc2cccn(C(F)F)c2=O)CC1 ZINC000638562496 483823437 /nfs/dbraw/zinc/82/34/37/483823437.db2.gz YULJDMSPZYHKIT-UHFFFAOYSA-N 0 3 364.418 -0.090 20 0 FBADHN CC(C)(C)NS(=O)(=O)C1(CNCCN2CCCS2(=O)=O)CC1 ZINC000638571688 483823982 /nfs/dbraw/zinc/82/39/82/483823982.db2.gz VJDTZSMNEVLCMU-UHFFFAOYSA-N 0 3 353.510 -0.138 20 0 FBADHN C[NH2+]CCOCCNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000638581474 483825637 /nfs/dbraw/zinc/82/56/37/483825637.db2.gz ONBJNXDWRAHHEM-UHFFFAOYSA-N 0 3 365.402 -0.015 20 0 FBADHN C[NH2+]CCOCCN(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000638589016 483826093 /nfs/dbraw/zinc/82/60/93/483826093.db2.gz XWMBVADCJRMMLN-UHFFFAOYSA-N 0 3 363.212 -0.594 20 0 FBADHN NS(=O)(=O)c1ccc(CN[C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000638595522 483826769 /nfs/dbraw/zinc/82/67/69/483826769.db2.gz BVILCEAECFCUPX-INIZCTEOSA-N 0 3 368.503 -0.170 20 0 FBADHN NS(=O)(=O)c1ccc(CN[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000638595523 483827048 /nfs/dbraw/zinc/82/70/48/483827048.db2.gz BVILCEAECFCUPX-MRXNPFEDSA-N 0 3 368.503 -0.170 20 0 FBADHN NS(=O)(=O)c1ccc(CN[C@@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000638599822 483827446 /nfs/dbraw/zinc/82/74/46/483827446.db2.gz STDIGACHHYYLIZ-CYBMUJFWSA-N 0 3 374.532 -0.108 20 0 FBADHN NS(=O)(=O)c1ccc(CN[C@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000638599823 483827200 /nfs/dbraw/zinc/82/72/00/483827200.db2.gz STDIGACHHYYLIZ-ZDUSSCGKSA-N 0 3 374.532 -0.108 20 0 FBADHN COC[C@]1(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CCCCN1 ZINC000638602669 483828066 /nfs/dbraw/zinc/82/80/66/483828066.db2.gz NWJFAQNVGPHXGB-KRWDZBQOSA-N 0 3 354.451 -0.658 20 0 FBADHN COC[C@@]1(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CCCCN1 ZINC000638602675 483828022 /nfs/dbraw/zinc/82/80/22/483828022.db2.gz NWJFAQNVGPHXGB-QGZVFWFLSA-N 0 3 354.451 -0.658 20 0 FBADHN C[C@H](C[C@@H]1CCCC(=O)N1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000638603939 483828461 /nfs/dbraw/zinc/82/84/61/483828461.db2.gz LOEKHFLKIRBLCO-BARDWOONSA-N 0 3 359.492 -0.479 20 0 FBADHN C[C@H](C[C@@H]1CCCC(=O)N1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000638603940 483828512 /nfs/dbraw/zinc/82/85/12/483828512.db2.gz LOEKHFLKIRBLCO-CBBWQLFWSA-N 0 3 359.492 -0.479 20 0 FBADHN C[C@H](C[C@@H]1CCCC(=O)N1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000638603941 483828334 /nfs/dbraw/zinc/82/83/34/483828334.db2.gz LOEKHFLKIRBLCO-LXTVHRRPSA-N 0 3 359.492 -0.479 20 0 FBADHN C[C@H](C[C@@H]1CCCC(=O)N1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000638603942 483828468 /nfs/dbraw/zinc/82/84/68/483828468.db2.gz LOEKHFLKIRBLCO-QPSCCSFWSA-N 0 3 359.492 -0.479 20 0 FBADHN CC(=O)NCC(=O)N1CCCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000638606221 483828387 /nfs/dbraw/zinc/82/83/87/483828387.db2.gz WVUHZDJAFHLAOC-UHFFFAOYSA-N 0 3 358.442 -0.320 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H](C)N2CCNCC2=O)CC1 ZINC000638729554 483872055 /nfs/dbraw/zinc/87/20/55/483872055.db2.gz QXBGHXBZGRJSBH-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C)N2CCNCC2=O)CC1 ZINC000638729555 483871857 /nfs/dbraw/zinc/87/18/57/483871857.db2.gz QXBGHXBZGRJSBH-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc2c1CCNC2 ZINC000638746484 483879836 /nfs/dbraw/zinc/87/98/36/483879836.db2.gz BTKKBXZMFCFMLQ-CYBMUJFWSA-N 0 3 353.444 -0.278 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc2c1CCNC2 ZINC000638746485 483879701 /nfs/dbraw/zinc/87/97/01/483879701.db2.gz BTKKBXZMFCFMLQ-ZDUSSCGKSA-N 0 3 353.444 -0.278 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc2c(s1)CCNC2 ZINC000638748674 483879747 /nfs/dbraw/zinc/87/97/47/483879747.db2.gz LPSFISZURUAAJF-LLVKDONJSA-N 0 3 359.473 -0.216 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc2c(s1)CCNC2 ZINC000638748675 483879935 /nfs/dbraw/zinc/87/99/35/483879935.db2.gz LPSFISZURUAAJF-NSHDSACASA-N 0 3 359.473 -0.216 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000638748780 483880054 /nfs/dbraw/zinc/88/00/54/483880054.db2.gz MSHMTKWZFTYBKS-DZGCQCFKSA-N 0 3 353.444 -0.002 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000638748785 483880235 /nfs/dbraw/zinc/88/02/35/483880235.db2.gz MSHMTKWZFTYBKS-HIFRSBDPSA-N 0 3 353.444 -0.002 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000638748788 483880353 /nfs/dbraw/zinc/88/03/53/483880353.db2.gz MSHMTKWZFTYBKS-UKRRQHHQSA-N 0 3 353.444 -0.002 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000638748791 483880059 /nfs/dbraw/zinc/88/00/59/483880059.db2.gz MSHMTKWZFTYBKS-ZFWWWQNUSA-N 0 3 353.444 -0.002 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNCc2ccccc21 ZINC000638749910 483879753 /nfs/dbraw/zinc/87/97/53/483879753.db2.gz RITDEKMEFLJFGQ-DZGCQCFKSA-N 0 3 353.444 -0.350 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNCc2ccccc21 ZINC000638749912 483879809 /nfs/dbraw/zinc/87/98/09/483879809.db2.gz RITDEKMEFLJFGQ-HIFRSBDPSA-N 0 3 353.444 -0.350 20 0 FBADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNCc2ccccc21 ZINC000638749913 483879900 /nfs/dbraw/zinc/87/99/00/483879900.db2.gz RITDEKMEFLJFGQ-UKRRQHHQSA-N 0 3 353.444 -0.350 20 0 FBADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNCc2ccccc21 ZINC000638749915 483879906 /nfs/dbraw/zinc/87/99/06/483879906.db2.gz RITDEKMEFLJFGQ-ZFWWWQNUSA-N 0 3 353.444 -0.350 20 0 FBADHN COCCNS(=O)(=O)c1cccc(NC(=O)CN2CCNCC2)c1 ZINC000638796285 483881082 /nfs/dbraw/zinc/88/10/82/483881082.db2.gz DQZVWHGGOPWQPR-UHFFFAOYSA-N 0 3 356.448 -0.545 20 0 FBADHN CN(CC(=O)N1CCOc2ccc(CN)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000638806027 483881535 /nfs/dbraw/zinc/88/15/35/483881535.db2.gz NVTYGJMQJCQUAP-CYBMUJFWSA-N 0 3 353.444 -0.010 20 0 FBADHN CN(CC(=O)N1CCOc2ccc(CN)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000638806028 483881655 /nfs/dbraw/zinc/88/16/55/483881655.db2.gz NVTYGJMQJCQUAP-ZDUSSCGKSA-N 0 3 353.444 -0.010 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000638849146 483882418 /nfs/dbraw/zinc/88/24/18/483882418.db2.gz QIVWAGWEWBAYJY-GDIGMMSISA-N 0 3 358.442 -0.043 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638849148 483882245 /nfs/dbraw/zinc/88/22/45/483882245.db2.gz QIVWAGWEWBAYJY-JVPBZIDWSA-N 0 3 358.442 -0.043 20 0 FBADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638849149 483882373 /nfs/dbraw/zinc/88/23/73/483882373.db2.gz QIVWAGWEWBAYJY-ZMYBRWDISA-N 0 3 358.442 -0.043 20 0 FBADHN CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638849150 483882449 /nfs/dbraw/zinc/88/24/49/483882449.db2.gz QIVWAGWEWBAYJY-ZOCIIQOWSA-N 0 3 358.442 -0.043 20 0 FBADHN COC[C@@]1(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CCCCN1 ZINC000638856638 483882267 /nfs/dbraw/zinc/88/22/67/483882267.db2.gz QCGUUTZROFPLJW-CRAIPNDOSA-N 0 3 352.479 -0.044 20 0 FBADHN COC[C@@]1(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CCCCN1 ZINC000638856639 483882348 /nfs/dbraw/zinc/88/23/48/483882348.db2.gz QCGUUTZROFPLJW-MAUKXSAKSA-N 0 3 352.479 -0.044 20 0 FBADHN COC[C@]1(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CCCCN1 ZINC000638856640 483882332 /nfs/dbraw/zinc/88/23/32/483882332.db2.gz QCGUUTZROFPLJW-QAPCUYQASA-N 0 3 352.479 -0.044 20 0 FBADHN COC[C@]1(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CCCCN1 ZINC000638856641 483882441 /nfs/dbraw/zinc/88/24/41/483882441.db2.gz QCGUUTZROFPLJW-YJBOKZPZSA-N 0 3 352.479 -0.044 20 0 FBADHN CO[C@H](CN[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1 ZINC000638872443 483882284 /nfs/dbraw/zinc/88/22/84/483882284.db2.gz UDRUDDAZBKTYLM-DLBZAZTESA-N 0 3 355.479 -0.049 20 0 FBADHN CO[C@H](CN[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1 ZINC000638872444 483882433 /nfs/dbraw/zinc/88/24/33/483882433.db2.gz UDRUDDAZBKTYLM-IAGOWNOFSA-N 0 3 355.479 -0.049 20 0 FBADHN CO[C@@H](CN[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1 ZINC000638872445 483882380 /nfs/dbraw/zinc/88/23/80/483882380.db2.gz UDRUDDAZBKTYLM-IRXDYDNUSA-N 0 3 355.479 -0.049 20 0 FBADHN CO[C@@H](CN[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1 ZINC000638872446 483882339 /nfs/dbraw/zinc/88/23/39/483882339.db2.gz UDRUDDAZBKTYLM-SJORKVTESA-N 0 3 355.479 -0.049 20 0 FBADHN CN(CC(=O)Nc1cc(N2CCNCC2)ccn1)[C@H]1CCS(=O)(=O)C1 ZINC000638984822 483960751 /nfs/dbraw/zinc/96/07/51/483960751.db2.gz SREBOQNURLZIMT-AWEZNQCLSA-N 0 3 367.475 -0.451 20 0 FBADHN CN(CC(=O)Nc1cc(N2CCNCC2)ccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000638984823 483959794 /nfs/dbraw/zinc/95/97/94/483959794.db2.gz SREBOQNURLZIMT-CQSZACIVSA-N 0 3 367.475 -0.451 20 0 FBADHN CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985378 483965406 /nfs/dbraw/zinc/96/54/06/483965406.db2.gz FXYWTQVPLPOAIE-AWEZNQCLSA-N 0 3 367.475 -0.451 20 0 FBADHN CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985379 483965166 /nfs/dbraw/zinc/96/51/66/483965166.db2.gz FXYWTQVPLPOAIE-CQSZACIVSA-N 0 3 367.475 -0.451 20 0 FBADHN O=C(Cn1nc2n(c1=O)CCCC2)Nc1cc(N2CCNCC2)ccn1 ZINC000638985873 483964475 /nfs/dbraw/zinc/96/44/75/483964475.db2.gz POIHCSYCGSJPDM-UHFFFAOYSA-N 0 3 357.418 -0.176 20 0 FBADHN Cc1nnc(CN(C)CC(=O)Nc2cc(N3CCNCC3)ccn2)n1C ZINC000638986441 483969025 /nfs/dbraw/zinc/96/90/25/483969025.db2.gz ONVWWHWFDJKCFU-UHFFFAOYSA-N 0 3 358.450 -0.001 20 0 FBADHN O=C(CN1CCS(=O)(=O)CC1)Nc1cc(N2CCNCC2)ccn1 ZINC000638986596 483969491 /nfs/dbraw/zinc/96/94/91/483969491.db2.gz VBSGBPXSRFQHDJ-UHFFFAOYSA-N 0 3 353.448 -0.840 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638986831 483970229 /nfs/dbraw/zinc/97/02/29/483970229.db2.gz DQDUPJOMSIMVFH-CYBMUJFWSA-N 0 3 353.448 -0.146 20 0 FBADHN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638986832 483969364 /nfs/dbraw/zinc/96/93/64/483969364.db2.gz DQDUPJOMSIMVFH-ZDUSSCGKSA-N 0 3 353.448 -0.146 20 0 FBADHN CCN1CCN(CC(=O)Nc2cc(N3CCNCC3)ccn2)C(=O)C1=O ZINC000638987806 483971041 /nfs/dbraw/zinc/97/10/41/483971041.db2.gz JWXSTVOTRKCHNS-UHFFFAOYSA-N 0 3 360.418 -0.880 20 0 FBADHN O=C(CCN1CCCS1(=O)=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638987828 483970912 /nfs/dbraw/zinc/97/09/12/483970912.db2.gz KYIQMELTHIAAMO-UHFFFAOYSA-N 0 3 353.448 -0.145 20 0 FBADHN O=C(Cn1nc2ccccn2c1=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638988404 483973309 /nfs/dbraw/zinc/97/33/09/483973309.db2.gz YAIAGGGKMUOQSV-UHFFFAOYSA-N 0 3 353.386 -0.061 20 0 FBADHN CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000639004584 484001211 /nfs/dbraw/zinc/00/12/11/484001211.db2.gz PAHNHGUTJIJMFD-CVEARBPZSA-N 0 3 363.462 -0.398 20 0 FBADHN CNC(=O)NC[C@H]1COCCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000639004585 484000123 /nfs/dbraw/zinc/00/01/23/484000123.db2.gz PAHNHGUTJIJMFD-HOTGVXAUSA-N 0 3 363.462 -0.398 20 0 FBADHN CNC(=O)NC[C@@H]1COCCN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000639004586 484000834 /nfs/dbraw/zinc/00/08/34/484000834.db2.gz 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O[C@@H]1C[C@H](O)CN(CC(CN2C[C@H](O)C[C@H](O)C2)c2ccccc2)C1 ZINC000639505948 484467113 /nfs/dbraw/zinc/46/71/13/484467113.db2.gz FGYMOFVVWOBMQY-QGFMHUBQSA-N 0 3 350.459 -0.375 20 0 FBADHN O=C1NC[C@@H]2CN(C[C@]3(O)CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000639519160 484469592 /nfs/dbraw/zinc/46/95/92/484469592.db2.gz ONBJYXDFWCTCGD-APWZRJJASA-N 0 3 358.442 -0.734 20 0 FBADHN O=C1NC[C@H]2CN(C[C@]3(O)CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000639519161 484468899 /nfs/dbraw/zinc/46/88/99/484468899.db2.gz ONBJYXDFWCTCGD-LPHOPBHVSA-N 0 3 358.442 -0.734 20 0 FBADHN O=C1NC[C@H]2CN(C[C@@]3(O)CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000639519162 484469266 /nfs/dbraw/zinc/46/92/66/484469266.db2.gz ONBJYXDFWCTCGD-QFBILLFUSA-N 0 3 358.442 -0.734 20 0 FBADHN O=C1NC[C@@H]2CN(C[C@@]3(O)CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000639519163 484469745 /nfs/dbraw/zinc/46/97/45/484469745.db2.gz ONBJYXDFWCTCGD-VQIMIIECSA-N 0 3 358.442 -0.734 20 0 FBADHN CS(=O)(=O)N1CCC(NC(=O)CN2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000639543831 661805364 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FBADHN CCN1C[C@@H](C)N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639555849 484499938 /nfs/dbraw/zinc/49/99/38/484499938.db2.gz LHAZQDICYMXHGM-UONOGXRCSA-N 0 3 360.524 -0.059 20 0 FBADHN CCN1C[C@@H](C)N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639555851 484499657 /nfs/dbraw/zinc/49/96/57/484499657.db2.gz LHAZQDICYMXHGM-ZIAGYGMSSA-N 0 3 360.524 -0.059 20 0 FBADHN CN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC1(N(C)C)CCC1 ZINC000639603367 484511586 /nfs/dbraw/zinc/51/15/86/484511586.db2.gz OYFXXLRXYAJFDP-UHFFFAOYSA-N 0 3 360.524 -0.057 20 0 FBADHN CC(C)[C@@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000639611776 484513587 /nfs/dbraw/zinc/51/35/87/484513587.db2.gz CIJQOSMAVZDMCQ-HNNXBMFYSA-N 0 3 360.524 -0.201 20 0 FBADHN CC(C)[C@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCN1C ZINC000639611777 484513550 /nfs/dbraw/zinc/51/35/50/484513550.db2.gz CIJQOSMAVZDMCQ-OAHLLOKOSA-N 0 3 360.524 -0.201 20 0 FBADHN CS(=O)(=O)N1CCC(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000639612153 484513603 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ZINC000640324112 484004445 /nfs/dbraw/zinc/00/44/45/484004445.db2.gz YKVBLFXKXDGEFC-GFCCVEGCSA-N 0 3 358.464 -0.538 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CO)CN2CCCC2)n(C)c1 ZINC000640324116 484005801 /nfs/dbraw/zinc/00/58/01/484005801.db2.gz YKVBLFXKXDGEFC-LBPRGKRZSA-N 0 3 358.464 -0.538 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000640324368 484012185 /nfs/dbraw/zinc/01/21/85/484012185.db2.gz KVKVZBLLZXNMQC-AWEZNQCLSA-N 0 3 355.460 -0.154 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC000640324369 484011964 /nfs/dbraw/zinc/01/19/64/484011964.db2.gz KVKVZBLLZXNMQC-CQSZACIVSA-N 0 3 355.460 -0.154 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@@H](CO)CN1CCCC1 ZINC000640324403 484011330 /nfs/dbraw/zinc/01/13/30/484011330.db2.gz LPJOUYJTEVOHNV-CYBMUJFWSA-N 0 3 359.423 -0.323 20 0 FBADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@H](CO)CN1CCCC1 ZINC000640324410 484011824 /nfs/dbraw/zinc/01/18/24/484011824.db2.gz LPJOUYJTEVOHNV-ZDUSSCGKSA-N 0 3 359.423 -0.323 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)nn1 ZINC000640325532 484190434 /nfs/dbraw/zinc/19/04/34/484190434.db2.gz VBTBLIYCNRRWPS-GFCCVEGCSA-N 0 3 350.423 0.411 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)nn1 ZINC000640325533 484189521 /nfs/dbraw/zinc/18/95/21/484189521.db2.gz VBTBLIYCNRRWPS-LBPRGKRZSA-N 0 3 350.423 0.411 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)N[C@@H](CO)CN1CCCC1 ZINC000640325769 484039346 /nfs/dbraw/zinc/03/93/46/484039346.db2.gz QXRVKTJROMLOTJ-GFCCVEGCSA-N 0 3 359.423 -0.323 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1F)N[C@H](CO)CN1CCCC1 ZINC000640325771 484039598 /nfs/dbraw/zinc/03/95/98/484039598.db2.gz QXRVKTJROMLOTJ-LBPRGKRZSA-N 0 3 359.423 -0.323 20 0 FBADHN CC(C)[C@H](CNC(=O)Nc1cn(C)c(=O)n(C)c1=O)N1CCN(C)CC1 ZINC000640329651 484066861 /nfs/dbraw/zinc/06/68/61/484066861.db2.gz NBILHKBFTBATAO-AWEZNQCLSA-N 0 3 366.466 -0.523 20 0 FBADHN CC(C)[C@@H](CNC(=O)Nc1cn(C)c(=O)n(C)c1=O)N1CCN(C)CC1 ZINC000640329652 484067765 /nfs/dbraw/zinc/06/77/65/484067765.db2.gz NBILHKBFTBATAO-CQSZACIVSA-N 0 3 366.466 -0.523 20 0 FBADHN CN(C)CCN1CCC(NC(=O)Nc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000640330350 484070450 /nfs/dbraw/zinc/07/04/50/484070450.db2.gz XMVXZSHGJUQNEN-UHFFFAOYSA-N 0 3 352.439 -0.769 20 0 FBADHN Cn1cc(NC(=O)NCCCCN2CCN(C)CC2)c(=O)n(C)c1=O ZINC000640330521 484071473 /nfs/dbraw/zinc/07/14/73/484071473.db2.gz CTHIFSCKTXGQFP-UHFFFAOYSA-N 0 3 352.439 -0.767 20 0 FBADHN CCN1CCN(CCCCNC(=O)Nc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000640330932 484075250 /nfs/dbraw/zinc/07/52/50/484075250.db2.gz QBUGLRLLIJFGHJ-UHFFFAOYSA-N 0 3 366.466 -0.377 20 0 FBADHN COCCCN1CCC(NC(=O)Nc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000640331522 484078846 /nfs/dbraw/zinc/07/88/46/484078846.db2.gz XMMMJDQEWOAMFO-UHFFFAOYSA-N 0 3 353.423 -0.294 20 0 FBADHN C[C@H](CNC(=O)Nc1cn(C)c(=O)n(C)c1=O)CN1CCN(C)CC1 ZINC000640331756 484081334 /nfs/dbraw/zinc/08/13/34/484081334.db2.gz COBONDYKYHPEGE-GFCCVEGCSA-N 0 3 352.439 -0.911 20 0 FBADHN C[C@@H](CNC(=O)Nc1cn(C)c(=O)n(C)c1=O)CN1CCN(C)CC1 ZINC000640331757 484081026 /nfs/dbraw/zinc/08/10/26/484081026.db2.gz COBONDYKYHPEGE-LBPRGKRZSA-N 0 3 352.439 -0.911 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000640332171 484083139 /nfs/dbraw/zinc/08/31/39/484083139.db2.gz JWINKPFTHAGZKG-CYBMUJFWSA-N 0 3 366.466 -0.521 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000640332174 484083010 /nfs/dbraw/zinc/08/30/10/484083010.db2.gz JWINKPFTHAGZKG-ZDUSSCGKSA-N 0 3 366.466 -0.521 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640332246 484082588 /nfs/dbraw/zinc/08/25/88/484082588.db2.gz LJSRENIGGAEMCM-GFCCVEGCSA-N 0 3 353.423 -0.342 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640332247 484083353 /nfs/dbraw/zinc/08/33/53/484083353.db2.gz LJSRENIGGAEMCM-LBPRGKRZSA-N 0 3 353.423 -0.342 20 0 FBADHN Cn1cc(NC(=O)N2CCN(CC3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000640332519 484083275 /nfs/dbraw/zinc/08/32/75/484083275.db2.gz NSNGBQPWSWTOGW-UHFFFAOYSA-N 0 3 365.434 -0.340 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)Nc2cn(C)c(=O)n(C)c2=O)CCCO1 ZINC000640333146 484087947 /nfs/dbraw/zinc/08/79/47/484087947.db2.gz CSPSFZFCVUUCRP-GFCCVEGCSA-N 0 3 353.423 -0.294 20 0 FBADHN C[C@H]1CN(CCCNC(=O)Nc2cn(C)c(=O)n(C)c2=O)CCCO1 ZINC000640333147 484087781 /nfs/dbraw/zinc/08/77/81/484087781.db2.gz CSPSFZFCVUUCRP-LBPRGKRZSA-N 0 3 353.423 -0.294 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640333881 661810928 /nfs/dbraw/zinc/81/09/28/661810928.db2.gz JQWKYJINMWWLMN-GFCCVEGCSA-N 0 3 352.439 -0.769 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640333886 661810983 /nfs/dbraw/zinc/81/09/83/661810983.db2.gz JQWKYJINMWWLMN-LBPRGKRZSA-N 0 3 352.439 -0.769 20 0 FBADHN Cn1cc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c(=O)n(C)c1=O ZINC000640334551 484096278 /nfs/dbraw/zinc/09/62/78/484096278.db2.gz MCBBITCGMQSOIH-UHFFFAOYSA-N 0 3 366.466 -0.378 20 0 FBADHN CCN1CCN(CC(C)(C)NC(=O)Nc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000640335574 484100790 /nfs/dbraw/zinc/10/07/90/484100790.db2.gz JTMJGRDSIFNHGT-UHFFFAOYSA-N 0 3 366.466 -0.378 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)nn1 ZINC000640336178 484190225 /nfs/dbraw/zinc/19/02/25/484190225.db2.gz FOKKHVXFCCBCDV-GFCCVEGCSA-N 0 3 362.434 0.553 20 0 FBADHN CNC(=O)c1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)nn1 ZINC000640336180 484190643 /nfs/dbraw/zinc/19/06/43/484190643.db2.gz FOKKHVXFCCBCDV-LBPRGKRZSA-N 0 3 362.434 0.553 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)Nc1cn(C)c(=O)n(C)c1=O)CCO2 ZINC000640336734 484105138 /nfs/dbraw/zinc/10/51/38/484105138.db2.gz KLJFDOYACVLNCM-UHFFFAOYSA-N 0 3 351.407 -0.588 20 0 FBADHN Cn1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000640337081 484106138 /nfs/dbraw/zinc/10/61/38/484106138.db2.gz QWMDBNIXNDVWPB-GFCCVEGCSA-N 0 3 351.407 -0.541 20 0 FBADHN Cn1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000640337085 484106038 /nfs/dbraw/zinc/10/60/38/484106038.db2.gz QWMDBNIXNDVWPB-LBPRGKRZSA-N 0 3 351.407 -0.541 20 0 FBADHN Cn1cc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c(=O)n(C)c1=O ZINC000640347214 484186543 /nfs/dbraw/zinc/18/65/43/484186543.db2.gz FKDIBFCDJGLODM-UHFFFAOYSA-N 0 3 352.439 -0.769 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640348598 484193666 /nfs/dbraw/zinc/19/36/66/484193666.db2.gz HLSZTBCYMCPDBW-GFCCVEGCSA-N 0 3 365.434 -0.199 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640348599 484194058 /nfs/dbraw/zinc/19/40/58/484194058.db2.gz HLSZTBCYMCPDBW-LBPRGKRZSA-N 0 3 365.434 -0.199 20 0 FBADHN Cc1nn(CC(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(=O)o1 ZINC000640399226 484305657 /nfs/dbraw/zinc/30/56/57/484305657.db2.gz IOCLXEBCLZDPCA-UHFFFAOYSA-N 0 3 353.423 -0.942 20 0 FBADHN CN1CCC(n2cc(NC(=O)N3CCN(C(=O)CO)CC3)cn2)CC1 ZINC000640445123 484314000 /nfs/dbraw/zinc/31/40/00/484314000.db2.gz PSMOEKGAUOJKCM-UHFFFAOYSA-N 0 3 350.423 -0.182 20 0 FBADHN CCN1CCN(CC(=O)N2CCCN(c3ccncc3)CC2)C(=O)C1=O ZINC000640450790 484314841 /nfs/dbraw/zinc/31/48/41/484314841.db2.gz ZRBJVFSDXRYUMF-UHFFFAOYSA-N 0 3 359.430 -0.189 20 0 FBADHN CN(C(=O)Cn1cc(CNC(=O)CN2CCNCC2)nn1)c1ccccc1 ZINC000640755462 484595271 /nfs/dbraw/zinc/59/52/71/484595271.db2.gz CQWRWLFMFFQFKP-UHFFFAOYSA-N 0 3 371.445 -0.538 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(CC(=O)N2CCCCCC2)nn1 ZINC000640755721 484596426 /nfs/dbraw/zinc/59/64/26/484596426.db2.gz KEMZJOGENVSJQV-UHFFFAOYSA-N 0 3 363.466 -0.798 20 0 FBADHN CN(C)CCc1cn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 ZINC000640760684 484603277 /nfs/dbraw/zinc/60/32/77/484603277.db2.gz QHNWFYZFBPVFQL-UHFFFAOYSA-N 0 3 360.418 -0.040 20 0 FBADHN C[C@H]1CCCN(C(=O)Cn2cc(CNC(=O)CN3CCNCC3)nn2)C1 ZINC000640775059 484614714 /nfs/dbraw/zinc/61/47/14/484614714.db2.gz XMKRDLYLRZYUAJ-AWEZNQCLSA-N 0 3 363.466 -0.942 20 0 FBADHN C[C@@H]1CCCN(C(=O)Cn2cc(CNC(=O)CN3CCNCC3)nn2)C1 ZINC000640775060 484614169 /nfs/dbraw/zinc/61/41/69/484614169.db2.gz XMKRDLYLRZYUAJ-CQSZACIVSA-N 0 3 363.466 -0.942 20 0 FBADHN CC1CCN(C(=O)Cn2cc(CNC(=O)CN3CCNCC3)nn2)CC1 ZINC000640776865 484612833 /nfs/dbraw/zinc/61/28/33/484612833.db2.gz PWSVJYABJDXEFD-UHFFFAOYSA-N 0 3 363.466 -0.942 20 0 FBADHN CC(C)N(C(=O)Cn1cc(CNC(=O)CN2CCNCC2)nn1)C(C)C ZINC000640793283 484636518 /nfs/dbraw/zinc/63/65/18/484636518.db2.gz DEFSQAJLLCYSLK-UHFFFAOYSA-N 0 3 365.482 -0.555 20 0 FBADHN C[C@H]1CCCCN1C(=O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640793423 484636957 /nfs/dbraw/zinc/63/69/57/484636957.db2.gz FPORGCMKXBFMQA-AWEZNQCLSA-N 0 3 363.466 -0.800 20 0 FBADHN C[C@@H]1CCCCN1C(=O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640793425 484636770 /nfs/dbraw/zinc/63/67/70/484636770.db2.gz FPORGCMKXBFMQA-CQSZACIVSA-N 0 3 363.466 -0.800 20 0 FBADHN COc1ccc(OCCn2cc(CNC(=O)CN3CCNCC3)nn2)cc1 ZINC000640796942 484638144 /nfs/dbraw/zinc/63/81/44/484638144.db2.gz QOWJZCMHEAZOLS-UHFFFAOYSA-N 0 3 374.445 -0.113 20 0 FBADHN Cc1cc(C(=O)Cn2cc(CNC(=O)CN3CCNCC3)nn2)c(C)n1C ZINC000640800677 484639484 /nfs/dbraw/zinc/63/94/84/484639484.db2.gz HJFPRNHDNABPQR-UHFFFAOYSA-N 0 3 373.461 -0.362 20 0 FBADHN COc1ccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)cc1F ZINC000640803491 484644158 /nfs/dbraw/zinc/64/41/58/484644158.db2.gz WXBGGLDHGBVFSK-UHFFFAOYSA-N 0 3 362.409 -0.005 20 0 FBADHN C[C@@H](C(=O)N1CCCCC1)n1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640807018 484643520 /nfs/dbraw/zinc/64/35/20/484643520.db2.gz INGRBTVZJBUXKY-AWEZNQCLSA-N 0 3 363.466 -0.627 20 0 FBADHN C[C@H](C(=O)N1CCCCC1)n1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640807034 484643341 /nfs/dbraw/zinc/64/33/41/484643341.db2.gz INGRBTVZJBUXKY-CQSZACIVSA-N 0 3 363.466 -0.627 20 0 FBADHN CNCC(=O)Nc1cccc(-c2cn(CC(=O)N3CCN(C)CC3)nn2)c1 ZINC000640837082 484653492 /nfs/dbraw/zinc/65/34/92/484653492.db2.gz IOUQRNYFZIRCTA-UHFFFAOYSA-N 0 3 371.445 -0.123 20 0 FBADHN Cc1cccc(Cn2cc(CNS(=O)(=O)N3CCNCC3)nn2)c1 ZINC000640846252 484660255 /nfs/dbraw/zinc/66/02/55/484660255.db2.gz MOQJPRBJVOQFLU-UHFFFAOYSA-N 0 3 350.448 -0.126 20 0 FBADHN CCCN(CCC)C(=O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640863074 484665280 /nfs/dbraw/zinc/66/52/80/484665280.db2.gz KKUOVKIOAFXEFD-UHFFFAOYSA-N 0 3 365.482 -0.552 20 0 FBADHN CCN1CCC(NC(=O)Cn2cc(CCN3CCOCC3)nn2)CC1 ZINC000640867151 484666873 /nfs/dbraw/zinc/66/68/73/484666873.db2.gz NYTJOUTXNQVVSQ-UHFFFAOYSA-N 0 3 350.467 -0.247 20 0 FBADHN CCN1CCC(NC(=O)Cn2cc(CN3CCC[C@H]3CO)nn2)CC1 ZINC000640869610 484666839 /nfs/dbraw/zinc/66/68/39/484666839.db2.gz PHWGWFIIYOVJNR-INIZCTEOSA-N 0 3 350.467 -0.165 20 0 FBADHN CCN1CCC(NC(=O)Cn2cc(CN3CCC[C@@H]3CO)nn2)CC1 ZINC000640869623 484667003 /nfs/dbraw/zinc/66/70/03/484667003.db2.gz PHWGWFIIYOVJNR-MRXNPFEDSA-N 0 3 350.467 -0.165 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(CCN(C)C)nn2)C1 ZINC000640878096 484670781 /nfs/dbraw/zinc/67/07/81/484670781.db2.gz ODTGEBOZXARLIS-INIZCTEOSA-N 0 3 352.483 -0.145 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(CCN(C)C)nn2)C1 ZINC000640878097 484670966 /nfs/dbraw/zinc/67/09/66/484670966.db2.gz ODTGEBOZXARLIS-MRXNPFEDSA-N 0 3 352.483 -0.145 20 0 FBADHN O=S(=O)(NCc1cn(Cc2cccc(F)c2F)nn1)N1CCNCC1 ZINC000640892191 484681950 /nfs/dbraw/zinc/68/19/50/484681950.db2.gz ZMJYFJSQBFUMCN-UHFFFAOYSA-N 0 3 372.401 -0.156 20 0 FBADHN CCN(CC)C(=O)[C@@H](C)n1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640918947 484696101 /nfs/dbraw/zinc/69/61/01/484696101.db2.gz AOQYNBXRRJBSDE-CYBMUJFWSA-N 0 3 351.455 -0.771 20 0 FBADHN CCN(CC)C(=O)[C@H](C)n1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640918969 484696188 /nfs/dbraw/zinc/69/61/88/484696188.db2.gz AOQYNBXRRJBSDE-ZDUSSCGKSA-N 0 3 351.455 -0.771 20 0 FBADHN O=S(=O)(NCc1cn(Cc2cc(F)ccc2F)nn1)N1CCNCC1 ZINC000640937332 484703664 /nfs/dbraw/zinc/70/36/64/484703664.db2.gz CMTFUQRPSWVNQF-UHFFFAOYSA-N 0 3 372.401 -0.156 20 0 FBADHN O=S(=O)(NCc1cn(Cc2cc(F)cc(F)c2)nn1)N1CCNCC1 ZINC000640938991 484704378 /nfs/dbraw/zinc/70/43/78/484704378.db2.gz ILFYMVUHRNTHFJ-UHFFFAOYSA-N 0 3 372.401 -0.156 20 0 FBADHN O=S(=O)(NCc1cn(Cc2ccc(F)c(F)c2)nn1)N1CCNCC1 ZINC000640947289 484706728 /nfs/dbraw/zinc/70/67/28/484706728.db2.gz FJEMWADLRVMWPG-UHFFFAOYSA-N 0 3 372.401 -0.156 20 0 FBADHN O=S(=O)(NCc1cn(Cc2c(F)cccc2F)nn1)N1CCNCC1 ZINC000640947388 484706382 /nfs/dbraw/zinc/70/63/82/484706382.db2.gz HHBWJRFJHSFQOJ-UHFFFAOYSA-N 0 3 372.401 -0.156 20 0 FBADHN COc1ccccc1OCCn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000640949926 484708838 /nfs/dbraw/zinc/70/88/38/484708838.db2.gz FVXVTDQHJUQPKD-UHFFFAOYSA-N 0 3 374.445 -0.113 20 0 FBADHN Cc1cccn2cc(Cn3cc(CNC(=O)CN4CCNCC4)nn3)nc12 ZINC000640953803 484710232 /nfs/dbraw/zinc/71/02/32/484710232.db2.gz QSPVTDMUMZADLT-UHFFFAOYSA-N 0 3 368.445 -0.196 20 0 FBADHN COc1c(C)cnc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)c1C ZINC000640954959 484710261 /nfs/dbraw/zinc/71/02/61/484710261.db2.gz VHHASDONZJNBJK-UHFFFAOYSA-N 0 3 373.461 -0.132 20 0 FBADHN COC[C@@H](N)Cc1cn(CC(=O)NCCN2CCc3ccccc32)nn1 ZINC000640977626 484730840 /nfs/dbraw/zinc/73/08/40/484730840.db2.gz PSZOQSPPMJPXBU-HNNXBMFYSA-N 0 3 358.446 -0.027 20 0 FBADHN COC[C@H](N)Cc1cn(CC(=O)NCCN2CCc3ccccc32)nn1 ZINC000640977627 484731482 /nfs/dbraw/zinc/73/14/82/484731482.db2.gz PSZOQSPPMJPXBU-OAHLLOKOSA-N 0 3 358.446 -0.027 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(CCOCC(F)(F)F)nn1 ZINC000640985203 484731356 /nfs/dbraw/zinc/73/13/56/484731356.db2.gz FWRGWQIGXGMYKX-UHFFFAOYSA-N 0 3 350.345 -0.622 20 0 FBADHN CN1CCN(Cc2cn(CC(=O)NC3CCN(C4CC4)CC3)nn2)CC1 ZINC000641002260 484740447 /nfs/dbraw/zinc/74/04/47/484740447.db2.gz CQOHFXQIFVZXFB-UHFFFAOYSA-N 0 3 361.494 -0.232 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(Cc2ccc3c(c2)OCCO3)nn1 ZINC000641004951 484739810 /nfs/dbraw/zinc/73/98/10/484739810.db2.gz SAHZXPYOUWNHDB-UHFFFAOYSA-N 0 3 372.429 -0.381 20 0 FBADHN Cn1c(Cn2cc(CNC(=O)CN3CCNCC3)nn2)nc2ccccc21 ZINC000641020829 484746717 /nfs/dbraw/zinc/74/67/17/484746717.db2.gz UTOZELLCLNYOMI-UHFFFAOYSA-N 0 3 368.445 -0.266 20 0 FBADHN Cc1cccc2nc(Cn3cc(CNC(=O)CN4CCNCC4)nn3)cn21 ZINC000641030361 484751903 /nfs/dbraw/zinc/75/19/03/484751903.db2.gz SUXAWOYHIZBNSR-UHFFFAOYSA-N 0 3 368.445 -0.196 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(CCn2cc(Cl)cn2)nn1 ZINC000641036151 484756834 /nfs/dbraw/zinc/75/68/34/484756834.db2.gz HWGOJYLVJCIQNS-UHFFFAOYSA-N 0 3 352.830 -0.650 20 0 FBADHN COc1cccc(OCCn2cc(CNC(=O)CN3CCNCC3)nn2)c1 ZINC000641046092 484759920 /nfs/dbraw/zinc/75/99/20/484759920.db2.gz QXKFFMMHSQAOII-UHFFFAOYSA-N 0 3 374.445 -0.113 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(CCCOCC(F)(F)F)nn1 ZINC000641059282 484762860 /nfs/dbraw/zinc/76/28/60/484762860.db2.gz LEKIROBBERFMBP-UHFFFAOYSA-N 0 3 364.372 -0.232 20 0 FBADHN CN(C)c1ccccc1Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641063708 484763794 /nfs/dbraw/zinc/76/37/94/484763794.db2.gz KNYBISARZWCFOJ-UHFFFAOYSA-N 0 3 357.462 -0.086 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(CCc2ccc3c(c2)CCO3)nn1 ZINC000641064847 484765323 /nfs/dbraw/zinc/76/53/23/484765323.db2.gz UBSBFMXERGUJPG-UHFFFAOYSA-N 0 3 370.457 -0.023 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(Cc2ncc(Cl)s2)nn1 ZINC000641068047 484765835 /nfs/dbraw/zinc/76/58/35/484765835.db2.gz IMEQALABBIAYBL-UHFFFAOYSA-N 0 3 355.855 -0.042 20 0 FBADHN CN(C)c1cccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)c1 ZINC000641071594 484768162 /nfs/dbraw/zinc/76/81/62/484768162.db2.gz IVISQPWRRWHFCY-UHFFFAOYSA-N 0 3 357.462 -0.086 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(CC(=O)c2ccccc2F)nn1 ZINC000641081980 484770143 /nfs/dbraw/zinc/77/01/43/484770143.db2.gz OAHWVFZXIRRSBK-UHFFFAOYSA-N 0 3 360.393 -0.179 20 0 FBADHN COCc1ccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)cc1 ZINC000641082692 484770013 /nfs/dbraw/zinc/77/00/13/484770013.db2.gz NMCORISRELRQIC-UHFFFAOYSA-N 0 3 358.446 -0.006 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(Cc2cccc3c2CCOC3)nn1 ZINC000641095982 484772306 /nfs/dbraw/zinc/77/23/06/484772306.db2.gz MATOITBPTIXCDY-UHFFFAOYSA-N 0 3 370.457 -0.080 20 0 FBADHN CCOc1cccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)n1 ZINC000641105179 484775162 /nfs/dbraw/zinc/77/51/62/484775162.db2.gz VQHNNEWXVSJENP-UHFFFAOYSA-N 0 3 359.434 -0.359 20 0 FBADHN CC(C)(C)N1CC[C@H](n2cc(CNC(=O)CN3CCNCC3)nn2)C1=O ZINC000641108134 484776878 /nfs/dbraw/zinc/77/68/78/484776878.db2.gz XIOGFCFAJKJWRO-AWEZNQCLSA-N 0 3 363.466 -0.629 20 0 FBADHN CC(C)(C)N1CC[C@@H](n2cc(CNC(=O)CN3CCNCC3)nn2)C1=O ZINC000641108138 484776623 /nfs/dbraw/zinc/77/66/23/484776623.db2.gz XIOGFCFAJKJWRO-CQSZACIVSA-N 0 3 363.466 -0.629 20 0 FBADHN CC(C)N1CCC[C@H](n2cc(CNC(=O)CN3CCNCC3)nn2)C1=O ZINC000641117154 484777334 /nfs/dbraw/zinc/77/73/34/484777334.db2.gz IMFIIWICQDPOBD-HNNXBMFYSA-N 0 3 363.466 -0.629 20 0 FBADHN CC(C)N1CCC[C@@H](n2cc(CNC(=O)CN3CCNCC3)nn2)C1=O ZINC000641117155 484777608 /nfs/dbraw/zinc/77/76/08/484777608.db2.gz IMFIIWICQDPOBD-OAHLLOKOSA-N 0 3 363.466 -0.629 20 0 FBADHN CCOc1ccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)nc1 ZINC000641117512 484777596 /nfs/dbraw/zinc/77/75/96/484777596.db2.gz MHDCJFFSWKTUIG-UHFFFAOYSA-N 0 3 359.434 -0.359 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(Cc2cc(CO)ccc2F)nn1 ZINC000641118778 484777689 /nfs/dbraw/zinc/77/76/89/484777689.db2.gz VFCZHEUTZMACCA-UHFFFAOYSA-N 0 3 362.409 -0.521 20 0 FBADHN COc1nc(C)cc(C)c1Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641121215 484779042 /nfs/dbraw/zinc/77/90/42/484779042.db2.gz OPFCRWFCZLIBJW-UHFFFAOYSA-N 0 3 373.461 -0.132 20 0 FBADHN COCc1cccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)c1 ZINC000641122675 484780460 /nfs/dbraw/zinc/78/04/60/484780460.db2.gz AMYVPVSWKXECFX-UHFFFAOYSA-N 0 3 358.446 -0.006 20 0 FBADHN CC(C)N(C)C(=O)[C@@H](C)n1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641127398 484781366 /nfs/dbraw/zinc/78/13/66/484781366.db2.gz WNWMOZMYPNDUOS-CYBMUJFWSA-N 0 3 351.455 -0.773 20 0 FBADHN CC(C)N(C)C(=O)[C@H](C)n1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641127399 484781916 /nfs/dbraw/zinc/78/19/16/484781916.db2.gz WNWMOZMYPNDUOS-ZDUSSCGKSA-N 0 3 351.455 -0.773 20 0 FBADHN CC(C)(C)n1cc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)cn1 ZINC000641152147 484788606 /nfs/dbraw/zinc/78/86/06/484788606.db2.gz MAOCBBWUZSVXBE-UHFFFAOYSA-N 0 3 360.466 -0.201 20 0 FBADHN COc1cc(C)nc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)c1 ZINC000641155389 484788771 /nfs/dbraw/zinc/78/87/71/484788771.db2.gz SVSJTSHRPDFCFR-UHFFFAOYSA-N 0 3 359.434 -0.440 20 0 FBADHN O=S(=O)(NCc1cn(C[C@@H]2CCC(F)(F)C2)nn1)N1CCNCC1 ZINC000641170408 484793710 /nfs/dbraw/zinc/79/37/10/484793710.db2.gz AWLJNJNKWXNWCS-LLVKDONJSA-N 0 3 364.422 -0.047 20 0 FBADHN O=S(=O)(NCc1cn(C[C@H]2CCC(F)(F)C2)nn1)N1CCNCC1 ZINC000641170409 484792727 /nfs/dbraw/zinc/79/27/27/484792727.db2.gz AWLJNJNKWXNWCS-NSHDSACASA-N 0 3 364.422 -0.047 20 0 FBADHN CN(C)c1ccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)cn1 ZINC000641178367 484800342 /nfs/dbraw/zinc/80/03/42/484800342.db2.gz UNMNXIOFOCEFRA-UHFFFAOYSA-N 0 3 358.450 -0.691 20 0 FBADHN O=S(=O)(NCc1cn(CCc2ccccc2F)nn1)N1CCNCC1 ZINC000641188357 484801642 /nfs/dbraw/zinc/80/16/42/484801642.db2.gz MLSVJQRXNCQRSJ-UHFFFAOYSA-N 0 3 368.438 -0.101 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@H](O)CCc2ccccc2)nn1 ZINC000641218714 484812719 /nfs/dbraw/zinc/81/27/19/484812719.db2.gz YMCDJIDJEKFQHM-GOSISDBHSA-N 0 3 372.473 -0.207 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@@H](O)CCc2ccccc2)nn1 ZINC000641218715 484812754 /nfs/dbraw/zinc/81/27/54/484812754.db2.gz YMCDJIDJEKFQHM-SFHVURJKSA-N 0 3 372.473 -0.207 20 0 FBADHN C[C@H](c1ccccc1)[C@H](O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641219719 484814313 /nfs/dbraw/zinc/81/43/13/484814313.db2.gz JORMXIGGJLJLHX-CRAIPNDOSA-N 0 3 372.473 -0.036 20 0 FBADHN C[C@@H](c1ccccc1)[C@H](O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641219720 484814651 /nfs/dbraw/zinc/81/46/51/484814651.db2.gz JORMXIGGJLJLHX-MAUKXSAKSA-N 0 3 372.473 -0.036 20 0 FBADHN C[C@H](c1ccccc1)[C@@H](O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641219721 484814302 /nfs/dbraw/zinc/81/43/02/484814302.db2.gz JORMXIGGJLJLHX-QAPCUYQASA-N 0 3 372.473 -0.036 20 0 FBADHN C[C@@H](c1ccccc1)[C@@H](O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641219722 484814495 /nfs/dbraw/zinc/81/44/95/484814495.db2.gz JORMXIGGJLJLHX-YJBOKZPZSA-N 0 3 372.473 -0.036 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@H](O)C2CCCCC2)nn1 ZINC000641220137 484814696 /nfs/dbraw/zinc/81/46/96/484814696.db2.gz FKLNCKBDWVEJNG-INIZCTEOSA-N 0 3 350.467 -0.259 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@@H](O)C2CCCCC2)nn1 ZINC000641220138 484814274 /nfs/dbraw/zinc/81/42/74/484814274.db2.gz FKLNCKBDWVEJNG-MRXNPFEDSA-N 0 3 350.467 -0.259 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@@H](O)CC2CCCC2)nn1 ZINC000641226693 484815670 /nfs/dbraw/zinc/81/56/70/484815670.db2.gz PUPCHBWEICXVGK-INIZCTEOSA-N 0 3 350.467 -0.259 20 0 FBADHN O=C(CN1CCNCC1)NCc1cn(C[C@H](O)CC2CCCC2)nn1 ZINC000641226694 484816169 /nfs/dbraw/zinc/81/61/69/484816169.db2.gz PUPCHBWEICXVGK-MRXNPFEDSA-N 0 3 350.467 -0.259 20 0 FBADHN O=S(=O)(NCc1cn(C[C@@H]2Cc3ccccc32)nn1)N1CCNCC1 ZINC000641235676 484817797 /nfs/dbraw/zinc/81/77/97/484817797.db2.gz WKQCKSTWXWOBNC-AWEZNQCLSA-N 0 3 362.459 -0.142 20 0 FBADHN O=S(=O)(NCc1cn(C[C@H]2Cc3ccccc32)nn1)N1CCNCC1 ZINC000641235677 484817588 /nfs/dbraw/zinc/81/75/88/484817588.db2.gz WKQCKSTWXWOBNC-CQSZACIVSA-N 0 3 362.459 -0.142 20 0 FBADHN COC[C@@H](CS(=O)(=O)N(C)CCN(C)C1CCN(C)CC1)OC ZINC000641286437 484841077 /nfs/dbraw/zinc/84/10/77/484841077.db2.gz CCJVBLBPMUEELA-HNNXBMFYSA-N 0 3 351.513 -0.065 20 0 FBADHN COC[C@H](CS(=O)(=O)N(C)CCN(C)C1CCN(C)CC1)OC ZINC000641286438 484841350 /nfs/dbraw/zinc/84/13/50/484841350.db2.gz CCJVBLBPMUEELA-OAHLLOKOSA-N 0 3 351.513 -0.065 20 0 FBADHN COCC(COC)S(=O)(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000641287408 484839608 /nfs/dbraw/zinc/83/96/08/484839608.db2.gz QKBAACOQLYRPLP-UHFFFAOYSA-N 0 3 351.513 -0.065 20 0 FBADHN COCC(COC)S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000641300733 484846138 /nfs/dbraw/zinc/84/61/38/484846138.db2.gz HNDVSUFTNHXIKE-UHFFFAOYSA-N 0 3 365.496 -0.633 20 0 FBADHN COC[C@@H](CS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1)OC ZINC000641301210 484847868 /nfs/dbraw/zinc/84/78/68/484847868.db2.gz OROLRSDYPXVJFB-AWEZNQCLSA-N 0 3 365.496 -0.633 20 0 FBADHN COC[C@H](CS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1)OC ZINC000641301211 484847507 /nfs/dbraw/zinc/84/75/07/484847507.db2.gz OROLRSDYPXVJFB-CQSZACIVSA-N 0 3 365.496 -0.633 20 0 FBADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)CCn2ccnc2)CC1 ZINC000641301252 484847854 /nfs/dbraw/zinc/84/78/54/484847854.db2.gz OZUWOQXXDQAHNA-UHFFFAOYSA-N 0 3 357.480 -0.397 20 0 FBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)C(COC)COC)CC1 ZINC000641317663 484851954 /nfs/dbraw/zinc/85/19/54/484851954.db2.gz CGHUKIFXWJSCAM-UHFFFAOYSA-N 0 3 365.496 -0.536 20 0 FBADHN 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JGNWDZBSUADXKG-ZWKOTPCHSA-N 0 3 368.522 -0.133 20 0 FBADHN O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000641671924 484986863 /nfs/dbraw/zinc/98/68/63/484986863.db2.gz YOIBOVUBKPXKCU-MSOLQXFVSA-N 0 3 365.522 -0.711 20 0 FBADHN O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000641671925 484987663 /nfs/dbraw/zinc/98/76/63/484987663.db2.gz YOIBOVUBKPXKCU-QZTJIDSGSA-N 0 3 365.522 -0.711 20 0 FBADHN O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000641671926 484987296 /nfs/dbraw/zinc/98/72/96/484987296.db2.gz YOIBOVUBKPXKCU-ROUUACIJSA-N 0 3 365.522 -0.711 20 0 FBADHN O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000641671927 484987103 /nfs/dbraw/zinc/98/71/03/484987103.db2.gz YOIBOVUBKPXKCU-ZWKOTPCHSA-N 0 3 365.522 -0.711 20 0 FBADHN CN(C)C1(CS(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641697425 484991758 /nfs/dbraw/zinc/99/17/58/484991758.db2.gz DZEJYAZJPNHXEI-INIZCTEOSA-N 0 3 374.551 -0.203 20 0 FBADHN CN(C)C1(CS(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641697426 484992655 /nfs/dbraw/zinc/99/26/55/484992655.db2.gz DZEJYAZJPNHXEI-MRXNPFEDSA-N 0 3 374.551 -0.203 20 0 FBADHN CN(C)CCCS(=O)(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641698091 484989879 /nfs/dbraw/zinc/98/98/79/484989879.db2.gz QIOZFZYPHRGAPR-INIZCTEOSA-N 0 3 362.540 -0.346 20 0 FBADHN CN(C)CCCS(=O)(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641698092 484990835 /nfs/dbraw/zinc/99/08/35/484990835.db2.gz QIOZFZYPHRGAPR-MRXNPFEDSA-N 0 3 362.540 -0.346 20 0 FBADHN CN(CCCCN1CCCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000641698250 484993906 /nfs/dbraw/zinc/99/39/06/484993906.db2.gz SBOXTFKXSXQKFS-UHFFFAOYSA-N 0 3 372.491 -0.029 20 0 FBADHN Cn1ncc2c1nc(N)nc2N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641718256 484546937 /nfs/dbraw/zinc/54/69/37/484546937.db2.gz MLUUQUHXMOALBR-CYBMUJFWSA-N 0 3 360.466 0.154 20 0 FBADHN Cn1ncc2c1nc(N)nc2N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641718257 484546161 /nfs/dbraw/zinc/54/61/61/484546161.db2.gz MLUUQUHXMOALBR-ZDUSSCGKSA-N 0 3 360.466 0.154 20 0 FBADHN Cn1ncc2c1nc(N[C@@H]1CCCN(CCN3CCOCC3)C1)nc2N ZINC000641718413 484114429 /nfs/dbraw/zinc/11/44/29/484114429.db2.gz OAJRQXYNTAQTAU-CYBMUJFWSA-N 0 3 360.466 0.154 20 0 FBADHN Cn1ncc2c1nc(N[C@H]1CCCN(CCN3CCOCC3)C1)nc2N ZINC000641718414 484114061 /nfs/dbraw/zinc/11/40/61/484114061.db2.gz OAJRQXYNTAQTAU-ZDUSSCGKSA-N 0 3 360.466 0.154 20 0 FBADHN CN(C)C(=O)c1ccc(N[C@H]2CCCN(CCN3CCOCC3)C2)nn1 ZINC000641718891 484084643 /nfs/dbraw/zinc/08/46/43/484084643.db2.gz CXNDUMANVLGTFA-HNNXBMFYSA-N 0 3 362.478 0.387 20 0 FBADHN CN(C)C(=O)c1ccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)nn1 ZINC000641718892 484084720 /nfs/dbraw/zinc/08/47/20/484084720.db2.gz CXNDUMANVLGTFA-OAHLLOKOSA-N 0 3 362.478 0.387 20 0 FBADHN CCNC(=O)c1ccc(N[C@H]2CCCN(CCN3CCOCC3)C2)nn1 ZINC000641719411 484358490 /nfs/dbraw/zinc/35/84/90/484358490.db2.gz PYYIVRDDIQIEQP-HNNXBMFYSA-N 0 3 362.478 0.435 20 0 FBADHN CCNC(=O)c1ccc(N[C@@H]2CCCN(CCN3CCOCC3)C2)nn1 ZINC000641719412 484359176 /nfs/dbraw/zinc/35/91/76/484359176.db2.gz PYYIVRDDIQIEQP-OAHLLOKOSA-N 0 3 362.478 0.435 20 0 FBADHN COCCN(C)CCNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641783287 485015544 /nfs/dbraw/zinc/01/55/44/485015544.db2.gz IZPDLEFXBCPQBB-KRWDZBQOSA-N 0 3 371.526 -0.340 20 0 FBADHN COCCN(C)CCNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641783288 485015449 /nfs/dbraw/zinc/01/54/49/485015449.db2.gz IZPDLEFXBCPQBB-QGZVFWFLSA-N 0 3 371.526 -0.340 20 0 FBADHN COCCNCCNC(=O)C(=O)Nc1nn(Cc2ccccc2)cc1C ZINC000641819418 484326069 /nfs/dbraw/zinc/32/60/69/484326069.db2.gz ABUGDGMUMIHHST-UHFFFAOYSA-N 0 3 359.430 0.531 20 0 FBADHN Cc1cn(Cc2ccccc2)nc1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000641820901 484437397 /nfs/dbraw/zinc/43/73/97/484437397.db2.gz OHFPLMJGYBIEAO-UHFFFAOYSA-N 0 3 369.425 0.379 20 0 FBADHN CN1CCN(C(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)CC1(C)C ZINC000641821190 485030197 /nfs/dbraw/zinc/03/01/97/485030197.db2.gz PVTYSHGTIREEQX-UHFFFAOYSA-N 0 3 361.450 -0.623 20 0 FBADHN Cc1cn(Cc2ccccc2)nc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000641821339 484438012 /nfs/dbraw/zinc/43/80/12/484438012.db2.gz SFTHTPUSPQSPLO-HNNXBMFYSA-N 0 3 357.414 0.283 20 0 FBADHN Cc1cn(Cc2ccccc2)nc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000641821340 484437585 /nfs/dbraw/zinc/43/75/85/484437585.db2.gz SFTHTPUSPQSPLO-OAHLLOKOSA-N 0 3 357.414 0.283 20 0 FBADHN CCc1nc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)n[nH]1 ZINC000641833168 485037741 /nfs/dbraw/zinc/03/77/41/485037741.db2.gz DLVDHYFXNPOTJL-AWEZNQCLSA-N 0 3 365.482 -0.037 20 0 FBADHN CCc1nc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)n[nH]1 ZINC000641833169 485036981 /nfs/dbraw/zinc/03/69/81/485036981.db2.gz DLVDHYFXNPOTJL-CQSZACIVSA-N 0 3 365.482 -0.037 20 0 FBADHN CN(CC1CN(C)C1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641840976 485044179 /nfs/dbraw/zinc/04/41/79/485044179.db2.gz IESKAAOQOQQPIE-KRWDZBQOSA-N 0 3 353.511 -0.014 20 0 FBADHN CN(CC1CN(C)C1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641840977 485044259 /nfs/dbraw/zinc/04/42/59/485044259.db2.gz IESKAAOQOQQPIE-QGZVFWFLSA-N 0 3 353.511 -0.014 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCN(C)C)c1 ZINC000641922112 485106727 /nfs/dbraw/zinc/10/67/27/485106727.db2.gz DHGXNOHYNUYCDS-UHFFFAOYSA-N 0 3 358.464 -0.443 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000641984202 485136172 /nfs/dbraw/zinc/13/61/72/485136172.db2.gz MGXYGWGVMQIMGC-CYBMUJFWSA-N 0 3 359.421 -0.067 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000641984203 485136319 /nfs/dbraw/zinc/13/63/19/485136319.db2.gz MGXYGWGVMQIMGC-ZDUSSCGKSA-N 0 3 359.421 -0.067 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000642015728 485151300 /nfs/dbraw/zinc/15/13/00/485151300.db2.gz XHVUJLRIRKJNGO-HNNXBMFYSA-N 0 3 355.483 -0.440 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000642015729 485150964 /nfs/dbraw/zinc/15/09/64/485150964.db2.gz XHVUJLRIRKJNGO-OAHLLOKOSA-N 0 3 355.483 -0.440 20 0 FBADHN CN(CC(=O)N1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000642083642 485180262 /nfs/dbraw/zinc/18/02/62/485180262.db2.gz WBEVJBHSVDUXAZ-HNNXBMFYSA-N 0 3 352.460 -0.151 20 0 FBADHN CN(CC(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000642083643 485180460 /nfs/dbraw/zinc/18/04/60/485180460.db2.gz WBEVJBHSVDUXAZ-OAHLLOKOSA-N 0 3 352.460 -0.151 20 0 FBADHN COCCN1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000642093829 485186629 /nfs/dbraw/zinc/18/66/29/485186629.db2.gz SKGLEUNETFKQFU-UHFFFAOYSA-N 0 3 362.478 -0.221 20 0 FBADHN CN1CCCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000642106120 485193127 /nfs/dbraw/zinc/19/31/27/485193127.db2.gz BTZQZFJCUZISFV-UHFFFAOYSA-N 0 3 368.415 -0.594 20 0 FBADHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000642112405 485197584 /nfs/dbraw/zinc/19/75/84/485197584.db2.gz RSBVMKMSEGUAQB-AAEUAGOBSA-N 0 3 370.400 -0.050 20 0 FBADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000642112406 485197312 /nfs/dbraw/zinc/19/73/12/485197312.db2.gz RSBVMKMSEGUAQB-DGCLKSJQSA-N 0 3 370.400 -0.050 20 0 FBADHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000642112407 485197543 /nfs/dbraw/zinc/19/75/43/485197543.db2.gz RSBVMKMSEGUAQB-WCQYABFASA-N 0 3 370.400 -0.050 20 0 FBADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000642112408 485197233 /nfs/dbraw/zinc/19/72/33/485197233.db2.gz RSBVMKMSEGUAQB-YPMHNXCESA-N 0 3 370.400 -0.050 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(F)cc32)[C@@H](CN)C1 ZINC000642117573 485198145 /nfs/dbraw/zinc/19/81/45/485198145.db2.gz HMKVWEANHUHZDX-GXTWGEPZSA-N 0 3 350.394 -0.133 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(F)cc32)[C@@H](CN)C1 ZINC000642117574 485198163 /nfs/dbraw/zinc/19/81/63/485198163.db2.gz HMKVWEANHUHZDX-JSGCOSHPSA-N 0 3 350.394 -0.133 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(F)cc32)[C@H](CN)C1 ZINC000642117575 485198752 /nfs/dbraw/zinc/19/87/52/485198752.db2.gz HMKVWEANHUHZDX-OCCSQVGLSA-N 0 3 350.394 -0.133 20 0 FBADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(F)cc32)[C@H](CN)C1 ZINC000642117576 485198760 /nfs/dbraw/zinc/19/87/60/485198760.db2.gz HMKVWEANHUHZDX-TZMCWYRMSA-N 0 3 350.394 -0.133 20 0 FBADHN C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)N(C)C ZINC000642152275 485219036 /nfs/dbraw/zinc/21/90/36/485219036.db2.gz FIPHKLHJAHMZDG-GFCCVEGCSA-N 0 3 358.464 -0.274 20 0 FBADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)N(C)C ZINC000642152276 485219048 /nfs/dbraw/zinc/21/90/48/485219048.db2.gz FIPHKLHJAHMZDG-LBPRGKRZSA-N 0 3 358.464 -0.274 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2c(F)cccc2-n2cccn2)[C@H](CN)C1 ZINC000642208170 485309431 /nfs/dbraw/zinc/30/94/31/485309431.db2.gz CERSDSWWCSCSGK-CYBMUJFWSA-N 0 3 374.420 -0.271 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2c(F)cccc2-n2cccn2)[C@@H](CN)C1 ZINC000642208171 485309444 /nfs/dbraw/zinc/30/94/44/485309444.db2.gz CERSDSWWCSCSGK-ZDUSSCGKSA-N 0 3 374.420 -0.271 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN[C@@H](C(C)C)C2)C1 ZINC000642222713 483965855 /nfs/dbraw/zinc/96/58/55/483965855.db2.gz WNAXBTPLIUADIE-HZPDHXFCSA-N 0 3 354.495 -0.084 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN[C@@H](C(C)C)C2)C1 ZINC000642222715 483965005 /nfs/dbraw/zinc/96/50/05/483965005.db2.gz WNAXBTPLIUADIE-JKSUJKDBSA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N(C)C ZINC000642226751 483988154 /nfs/dbraw/zinc/98/81/54/483988154.db2.gz QGLBPIGVOKQMQR-GFCCVEGCSA-N 0 3 370.475 -0.267 20 0 FBADHN Cn1ncc2c1ncn(CC(=O)N1CCCN(C[C@@H]3CCCO3)CC1)c2=O ZINC000642243773 484023842 /nfs/dbraw/zinc/02/38/42/484023842.db2.gz LFAZHECJHGGOOR-AWEZNQCLSA-N 0 3 374.445 -0.157 20 0 FBADHN Cn1ncc2c1ncn(CC(=O)N1CCCN(C[C@H]3CCCO3)CC1)c2=O ZINC000642243774 484023652 /nfs/dbraw/zinc/02/36/52/484023652.db2.gz LFAZHECJHGGOOR-CQSZACIVSA-N 0 3 374.445 -0.157 20 0 FBADHN COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000642288426 484324014 /nfs/dbraw/zinc/32/40/14/484324014.db2.gz FTGCQLVEJGIXRJ-CHWSQXEVSA-N 0 3 364.446 -0.018 20 0 FBADHN COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000642288427 484324811 /nfs/dbraw/zinc/32/48/11/484324811.db2.gz FTGCQLVEJGIXRJ-OLZOCXBDSA-N 0 3 364.446 -0.018 20 0 FBADHN COc1ccc(OC)c([C@H](C)NC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000642288428 484324978 /nfs/dbraw/zinc/32/49/78/484324978.db2.gz FTGCQLVEJGIXRJ-QWHCGFSZSA-N 0 3 364.446 -0.018 20 0 FBADHN COc1ccc(OC)c([C@H](C)NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000642288429 484324240 /nfs/dbraw/zinc/32/42/40/484324240.db2.gz FTGCQLVEJGIXRJ-STQMWFEESA-N 0 3 364.446 -0.018 20 0 FBADHN CN(C)CCNC(=O)c1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000642300902 484328156 /nfs/dbraw/zinc/32/81/56/484328156.db2.gz ALIWININOYRFKL-UHFFFAOYSA-N 0 3 361.402 -0.190 20 0 FBADHN COc1ccc(OCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000642314854 484332941 /nfs/dbraw/zinc/33/29/41/484332941.db2.gz VCOFNZBHYXLJTN-CYBMUJFWSA-N 0 3 350.419 -0.709 20 0 FBADHN COc1ccc(OCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000642314855 484332749 /nfs/dbraw/zinc/33/27/49/484332749.db2.gz VCOFNZBHYXLJTN-ZDUSSCGKSA-N 0 3 350.419 -0.709 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000642317937 484334274 /nfs/dbraw/zinc/33/42/74/484334274.db2.gz 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ZINC000643370854 484287198 /nfs/dbraw/zinc/28/71/98/484287198.db2.gz PMPRANRMHGQLHZ-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000643370855 484287898 /nfs/dbraw/zinc/28/78/98/484287898.db2.gz PMPRANRMHGQLHZ-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643370856 484286784 /nfs/dbraw/zinc/28/67/84/484286784.db2.gz PMPRANRMHGQLHZ-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643370857 484287384 /nfs/dbraw/zinc/28/73/84/484287384.db2.gz PMPRANRMHGQLHZ-JKSUJKDBSA-N 0 3 352.479 -0.138 20 0 FBADHN CCCN1C[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1=O ZINC000643394561 484087533 /nfs/dbraw/zinc/08/75/33/484087533.db2.gz TVCUVEDEACPZEY-CABCVRRESA-N 0 3 350.463 -0.038 20 0 FBADHN CCCN1C[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1=O ZINC000643394562 484087255 /nfs/dbraw/zinc/08/72/55/484087255.db2.gz TVCUVEDEACPZEY-GJZGRUSLSA-N 0 3 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368.503 -0.237 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CS1 ZINC000643421783 484504639 /nfs/dbraw/zinc/50/46/39/484504639.db2.gz KRTHWMQCQYETDZ-KGLIPLIRSA-N 0 3 368.503 -0.237 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CS1 ZINC000643421784 484504676 /nfs/dbraw/zinc/50/46/76/484504676.db2.gz KRTHWMQCQYETDZ-UONOGXRCSA-N 0 3 368.503 -0.237 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CS1 ZINC000643421785 484504703 /nfs/dbraw/zinc/50/47/03/484504703.db2.gz KRTHWMQCQYETDZ-ZIAGYGMSSA-N 0 3 368.503 -0.237 20 0 FBADHN CN(CCN)C(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000643476220 484632413 /nfs/dbraw/zinc/63/24/13/484632413.db2.gz LLSPXLVAEFXAKP-UHFFFAOYSA-N 0 3 362.430 -0.481 20 0 FBADHN O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCC(CN2CCOCC2)CC1 ZINC000643486764 484938747 /nfs/dbraw/zinc/93/87/47/484938747.db2.gz WYRPTUCXSDDMJN-CALCHBBNSA-N 0 3 364.490 -0.090 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCN1C[C@H](C)O 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/nfs/dbraw/zinc/35/56/86/485355686.db2.gz CVVNQGALNDDYQR-OAGGEKHMSA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@H](C)N1 ZINC000643513496 485355655 /nfs/dbraw/zinc/35/56/55/485355655.db2.gz CVVNQGALNDDYQR-OWCLPIDISA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@H](C)N1 ZINC000643513497 485355633 /nfs/dbraw/zinc/35/56/33/485355633.db2.gz CVVNQGALNDDYQR-XHSDSOJGSA-N 0 3 351.495 -0.566 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)CC2)C1 ZINC000643513507 485355377 /nfs/dbraw/zinc/35/53/77/485355377.db2.gz FNBMJOJJNCEIKX-BBWFWOEESA-N 0 3 363.506 -0.422 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)CC2)C1 ZINC000643513508 485355339 /nfs/dbraw/zinc/35/53/39/485355339.db2.gz FNBMJOJJNCEIKX-IXDOHACOSA-N 0 3 363.506 -0.422 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCN1 ZINC000643513627 485356423 /nfs/dbraw/zinc/35/64/23/485356423.db2.gz 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CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CCN1 ZINC000643540428 483988237 /nfs/dbraw/zinc/98/82/37/483988237.db2.gz GGGSVGHYXFWUET-HUUCEWRRSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CCN1 ZINC000643540429 483988970 /nfs/dbraw/zinc/98/89/70/483988970.db2.gz GGGSVGHYXFWUET-LSDHHAIUSA-N 0 3 354.495 -0.254 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCN1CC(C)(C)O ZINC000643540515 483986203 /nfs/dbraw/zinc/98/62/03/483986203.db2.gz NHCYVIQISPTVCJ-KFWWJZLASA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCN1CC(C)(C)O ZINC000643540516 483985334 /nfs/dbraw/zinc/98/53/34/483985334.db2.gz NHCYVIQISPTVCJ-SOUVJXGZSA-N 0 3 352.479 -0.357 20 0 FBADHN O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000643541866 483397410 /nfs/dbraw/zinc/39/74/10/483397410.db2.gz BDDPXJDHBCUNGS-HRCADAONSA-N 0 3 350.463 -0.480 20 0 FBADHN O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCN(C[C@H]2CCOC2)CC1 ZINC000643541867 483396875 /nfs/dbraw/zinc/39/68/75/483396875.db2.gz BDDPXJDHBCUNGS-OAGGEKHMSA-N 0 3 350.463 -0.480 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCN1 ZINC000643541927 483397539 /nfs/dbraw/zinc/39/75/39/483397539.db2.gz SZRZPFXQEUEPPE-HZPDHXFCSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCN1 ZINC000643541928 483397375 /nfs/dbraw/zinc/39/73/75/483397375.db2.gz SZRZPFXQEUEPPE-JKSUJKDBSA-N 0 3 352.479 -0.377 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CCN1 ZINC000643546453 483407351 /nfs/dbraw/zinc/40/73/51/483407351.db2.gz PBURCSVQBMJXAZ-HUUCEWRRSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CCN1 ZINC000643546454 483407447 /nfs/dbraw/zinc/40/74/47/483407447.db2.gz PBURCSVQBMJXAZ-LSDHHAIUSA-N 0 3 354.495 -0.254 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@H]1c1ccccc1F ZINC000643553671 483411785 /nfs/dbraw/zinc/41/17/85/483411785.db2.gz 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/nfs/dbraw/zinc/04/32/33/484043233.db2.gz MQTHXYOMGSAKML-MJBXVCDLSA-N 0 3 355.464 -0.513 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)Cn3nnc4ccccc4c3=O)C[C@H]2N)cn1 ZINC000643845448 484043081 /nfs/dbraw/zinc/04/30/81/484043081.db2.gz TTYGJUOPFPCSQF-UONOGXRCSA-N 0 3 353.386 -0.522 20 0 FBADHN CN1CCC(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000643931479 484175828 /nfs/dbraw/zinc/17/58/28/484175828.db2.gz ZZDNBKBLAUFVQS-UHFFFAOYSA-N 0 3 374.507 -0.561 20 0 FBADHN CN1CCC(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000643955031 484181563 /nfs/dbraw/zinc/18/15/63/484181563.db2.gz LSXWCGPHRFMDGB-UHFFFAOYSA-N 0 3 364.446 -0.462 20 0 FBADHN O=C(NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CNCCC1(F)F ZINC000643985540 484190389 /nfs/dbraw/zinc/19/03/89/484190389.db2.gz TTYTWISSQIMGKZ-JTQLQIEISA-N 0 3 352.363 -0.545 20 0 FBADHN O=C(NCCNS(=O)(=O)Cc1ccon1)[C@H]1CNCCC1(F)F ZINC000643985541 484189792 /nfs/dbraw/zinc/18/97/92/484189792.db2.gz TTYTWISSQIMGKZ-SNVBAGLBSA-N 0 3 352.363 -0.545 20 0 FBADHN 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20 0 FBADHN COc1ccc(CCNC(=O)CNC[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000644157429 484252530 /nfs/dbraw/zinc/25/25/30/484252530.db2.gz MMUYSXGHDLSLCS-CYBMUJFWSA-N 0 3 371.459 -0.230 20 0 FBADHN COc1ccc(CCNC(=O)CNC[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000644157430 484253480 /nfs/dbraw/zinc/25/34/80/484253480.db2.gz MMUYSXGHDLSLCS-ZDUSSCGKSA-N 0 3 371.459 -0.230 20 0 FBADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)CCOC3CNC3)no2)cn1 ZINC000644158805 484253125 /nfs/dbraw/zinc/25/31/25/484253125.db2.gz QSPILQCDWOQCDP-CYBMUJFWSA-N 0 3 362.390 -0.252 20 0 FBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)CCOC3CNC3)no2)cn1 ZINC000644158806 484252445 /nfs/dbraw/zinc/25/24/45/484252445.db2.gz QSPILQCDWOQCDP-ZDUSSCGKSA-N 0 3 362.390 -0.252 20 0 FBADHN CC1(C)CN[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000644159389 484254008 /nfs/dbraw/zinc/25/40/08/484254008.db2.gz LOSFLQJEQDELIC-INIZCTEOSA-N 0 3 360.462 -0.040 20 0 FBADHN CC1(C)CN[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000644159390 484255399 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Cc1cc(CN)cc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000644194252 484367455 /nfs/dbraw/zinc/36/74/55/484367455.db2.gz YIJCLAXCLYZJBS-ZDUSSCGKSA-N 0 3 368.459 -0.068 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 ZINC000644194253 484367070 /nfs/dbraw/zinc/36/70/70/484367070.db2.gz YNYBGJCGCRTNCV-UHFFFAOYSA-N 0 3 368.459 -0.068 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000644194597 484375090 /nfs/dbraw/zinc/37/50/90/484375090.db2.gz UCGWRNXZAZCWAT-UHFFFAOYSA-N 0 3 368.459 -0.066 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)c1 ZINC000644194611 484376027 /nfs/dbraw/zinc/37/60/27/484376027.db2.gz GCDSVMZUOYJXPX-UHFFFAOYSA-N 0 3 356.448 -0.164 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c(OC)n1 ZINC000644196320 484416774 /nfs/dbraw/zinc/41/67/74/484416774.db2.gz FIRUFDLNOMTUGM-NWDGAFQWSA-N 0 3 374.401 -0.276 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)NCCNC(=O)c3cccnc3)C[C@H]2N)cn1 ZINC000644196823 484418748 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SQVMHIQKLGPIBW-AEGPPILISA-N 0 3 371.445 -0.198 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)C[C@H]2N)cn1 ZINC000644225649 484423619 /nfs/dbraw/zinc/42/36/19/484423619.db2.gz SQVMHIQKLGPIBW-VHDGCEQUSA-N 0 3 371.445 -0.198 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](OC(F)F)C3)C[C@H]2N)cn1 ZINC000644225659 484423732 /nfs/dbraw/zinc/42/37/32/484423732.db2.gz XVKTXUKJKBLBAW-FRRDWIJNSA-N 0 3 371.388 -0.097 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H](OC(F)F)C3)C[C@H]2N)cn1 ZINC000644225664 484423578 /nfs/dbraw/zinc/42/35/78/484423578.db2.gz XVKTXUKJKBLBAW-RWMBFGLXSA-N 0 3 371.388 -0.097 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCc4ccc(O)cc4C3)C[C@H]2N)cn1 ZINC000644225665 484424376 /nfs/dbraw/zinc/42/43/76/484424376.db2.gz YDJMYYDPOGHNMF-DLBZAZTESA-N 0 3 369.425 -0.036 20 0 FBADHN Cc1csc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)n1 ZINC000644225684 484423477 /nfs/dbraw/zinc/42/34/77/484423477.db2.gz FHMSREPUEDHINH-QWHCGFSZSA-N 0 3 362.459 -0.203 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@@H](C2CC2)O1 ZINC000644226313 484424170 /nfs/dbraw/zinc/42/41/70/484424170.db2.gz AGXWCRIDMCMIMQ-CAPXZKIUSA-N 0 3 361.446 -0.301 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@H](C2CC2)O1 ZINC000644226314 484423999 /nfs/dbraw/zinc/42/39/99/484423999.db2.gz AGXWCRIDMCMIMQ-DANNLKNASA-N 0 3 361.446 -0.301 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@@H](C2CC2)O1 ZINC000644226316 484423919 /nfs/dbraw/zinc/42/39/19/484423919.db2.gz AGXWCRIDMCMIMQ-KSYCFECVSA-N 0 3 361.446 -0.301 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@H](C2CC2)O1 ZINC000644226318 484424222 /nfs/dbraw/zinc/42/42/22/484424222.db2.gz AGXWCRIDMCMIMQ-MSQAHXEGSA-N 0 3 361.446 -0.301 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CC=CC4)C3)C[C@H]2N)cn1 ZINC000644226360 484424361 /nfs/dbraw/zinc/42/43/61/484424361.db2.gz FRBQTTQVCZAQQM-HRCADAONSA-N 0 3 358.446 -0.854 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)C[C@H]2N)cn1 ZINC000644226361 484423565 /nfs/dbraw/zinc/42/35/65/484423565.db2.gz FRBQTTQVCZAQQM-OWCLPIDISA-N 0 3 358.446 -0.854 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644226658 484423835 /nfs/dbraw/zinc/42/38/35/484423835.db2.gz SFXZBIIESQEGEF-LTIDMASMSA-N 0 3 374.489 -0.242 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 ZINC000644226927 484423449 /nfs/dbraw/zinc/42/34/49/484423449.db2.gz FDCKELBMCPOQOJ-KYOSRNDESA-N 0 3 370.475 -0.018 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c1 ZINC000644226927 484423447 /nfs/dbraw/zinc/42/34/47/484423447.db2.gz FDCKELBMCPOQOJ-KYOSRNDESA-N 0 3 370.475 -0.018 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)c1 ZINC000644226927 484423444 /nfs/dbraw/zinc/42/34/44/484423444.db2.gz FDCKELBMCPOQOJ-KYOSRNDESA-N 0 3 370.475 -0.018 20 0 FBADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 ZINC000644226928 484424252 /nfs/dbraw/zinc/42/42/52/484424252.db2.gz FDCKELBMCPOQOJ-LNSITVRQSA-N 0 3 370.475 -0.018 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c1 ZINC000644226928 484424249 /nfs/dbraw/zinc/42/42/49/484424249.db2.gz FDCKELBMCPOQOJ-LNSITVRQSA-N 0 3 370.475 -0.018 20 0 FBADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)c1 ZINC000644226928 484424244 /nfs/dbraw/zinc/42/42/44/484424244.db2.gz FDCKELBMCPOQOJ-LNSITVRQSA-N 0 3 370.475 -0.018 20 0 FBADHN CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)NCC1(N(C)C)CCCC1 ZINC000644252879 484428034 /nfs/dbraw/zinc/42/80/34/484428034.db2.gz YDNYJMKHTABESW-CYBMUJFWSA-N 0 3 374.507 -0.195 20 0 FBADHN CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)NCC1(N(C)C)CCCC1 ZINC000644252882 484427798 /nfs/dbraw/zinc/42/77/98/484427798.db2.gz YDNYJMKHTABESW-ZDUSSCGKSA-N 0 3 374.507 -0.195 20 0 FBADHN CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1COCCN1C ZINC000644313238 484437201 /nfs/dbraw/zinc/43/72/01/484437201.db2.gz DWIDMJDGOHMBNH-MSOLQXFVSA-N 0 3 374.485 -0.052 20 0 FBADHN CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1COCCN1C ZINC000644313239 484437127 /nfs/dbraw/zinc/43/71/27/484437127.db2.gz DWIDMJDGOHMBNH-QZTJIDSGSA-N 0 3 374.485 -0.052 20 0 FBADHN CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1COCCN1C ZINC000644313240 484437235 /nfs/dbraw/zinc/43/72/35/484437235.db2.gz DWIDMJDGOHMBNH-ROUUACIJSA-N 0 3 374.485 -0.052 20 0 FBADHN CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1COCCN1C ZINC000644313241 484437180 /nfs/dbraw/zinc/43/71/80/484437180.db2.gz DWIDMJDGOHMBNH-ZWKOTPCHSA-N 0 3 374.485 -0.052 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 ZINC000644341739 484439885 /nfs/dbraw/zinc/43/98/85/484439885.db2.gz CHRBPDIFDGAHEL-CABCVRRESA-N 0 3 366.462 -0.700 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 ZINC000644341741 484439298 /nfs/dbraw/zinc/43/92/98/484439298.db2.gz CHRBPDIFDGAHEL-GJZGRUSLSA-N 0 3 366.462 -0.700 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000644341742 484439088 /nfs/dbraw/zinc/43/90/88/484439088.db2.gz CHRBPDIFDGAHEL-HUUCEWRRSA-N 0 3 366.462 -0.700 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000644341743 484439119 /nfs/dbraw/zinc/43/91/19/484439119.db2.gz CHRBPDIFDGAHEL-LSDHHAIUSA-N 0 3 366.462 -0.700 20 0 FBADHN CN(C)CCNC(=O)C1CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 ZINC000644362447 484443395 /nfs/dbraw/zinc/44/33/95/484443395.db2.gz WASGKQUMAPTVBH-HNNXBMFYSA-N 0 3 368.478 -0.724 20 0 FBADHN CN(C)CCNC(=O)C1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000644362448 484443840 /nfs/dbraw/zinc/44/38/40/484443840.db2.gz WASGKQUMAPTVBH-OAHLLOKOSA-N 0 3 368.478 -0.724 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1C ZINC000644383755 484180401 /nfs/dbraw/zinc/18/04/01/484180401.db2.gz LOVLYLJXROSPLR-MCIONIFRSA-N 0 3 364.450 0.047 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1C ZINC000644383757 484179580 /nfs/dbraw/zinc/17/95/80/484179580.db2.gz LOVLYLJXROSPLR-MJBXVCDLSA-N 0 3 364.450 0.047 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCC[C@@H](O)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000644412066 484454804 /nfs/dbraw/zinc/45/48/04/484454804.db2.gz GLMSDBDUENZCHF-BRWVUGGUSA-N 0 3 366.506 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCC[C@H](O)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000644412067 484455270 /nfs/dbraw/zinc/45/52/70/484455270.db2.gz GLMSDBDUENZCHF-IKGGRYGDSA-N 0 3 366.506 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCC[C@@H](O)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000644412068 484455165 /nfs/dbraw/zinc/45/51/65/484455165.db2.gz GLMSDBDUENZCHF-IXDOHACOSA-N 0 3 366.506 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCC[C@H](O)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000644412069 484454673 /nfs/dbraw/zinc/45/46/73/484454673.db2.gz GLMSDBDUENZCHF-ZACQAIPSSA-N 0 3 366.506 -0.156 20 0 FBADHN CN(C)CCn1nccc1NC(=O)N1CC[C@@H](n2cc(C(N)=O)nn2)C1 ZINC000644443469 484457208 /nfs/dbraw/zinc/45/72/08/484457208.db2.gz QBXAYSQEPZNBJK-LLVKDONJSA-N 0 3 361.410 -0.386 20 0 FBADHN CN(C)CCn1nccc1NC(=O)N1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000644443473 484457245 /nfs/dbraw/zinc/45/72/45/484457245.db2.gz QBXAYSQEPZNBJK-NSHDSACASA-N 0 3 361.410 -0.386 20 0 FBADHN CNS(=O)(=O)Cc1ccc(CNC[C@H](O)CN2CCOCC2)cc1 ZINC000644514232 483421027 /nfs/dbraw/zinc/42/10/27/483421027.db2.gz HSKSAKXXBFHRKN-INIZCTEOSA-N 0 3 357.476 -0.482 20 0 FBADHN CNS(=O)(=O)Cc1ccc(CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000644514233 483420897 /nfs/dbraw/zinc/42/08/97/483420897.db2.gz HSKSAKXXBFHRKN-MRXNPFEDSA-N 0 3 357.476 -0.482 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC[C@H](O)CN1CCN(C)CC1 ZINC000644514800 483422060 /nfs/dbraw/zinc/42/20/60/483422060.db2.gz CHZZOFFGJAOXLS-INIZCTEOSA-N 0 3 370.519 -0.365 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000644514801 483422753 /nfs/dbraw/zinc/42/27/53/483422753.db2.gz CHZZOFFGJAOXLS-MRXNPFEDSA-N 0 3 370.519 -0.365 20 0 FBADHN CN1CCN(C[C@@H](O)CNCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000644515283 483421806 /nfs/dbraw/zinc/42/18/06/483421806.db2.gz YQVJKTGOPPNTCN-HNNXBMFYSA-N 0 3 362.540 -0.564 20 0 FBADHN CN1CCN(C[C@H](O)CNCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000644515284 483421980 /nfs/dbraw/zinc/42/19/80/483421980.db2.gz YQVJKTGOPPNTCN-OAHLLOKOSA-N 0 3 362.540 -0.564 20 0 FBADHN COCCOC[C@@H](O)CNCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000644523732 483421901 /nfs/dbraw/zinc/42/19/01/483421901.db2.gz YNTJNZSOOYBDBJ-INIZCTEOSA-N 0 3 365.430 -0.628 20 0 FBADHN COCCOC[C@H](O)CNCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000644523736 483422543 /nfs/dbraw/zinc/42/25/43/483422543.db2.gz YNTJNZSOOYBDBJ-MRXNPFEDSA-N 0 3 365.430 -0.628 20 0 FBADHN COCCNS(=O)(=O)c1ccc(CNC[C@H](O)Cn2cccn2)cc1 ZINC000644524186 483422738 /nfs/dbraw/zinc/42/27/38/483422738.db2.gz ZCGOWCHYLFXISR-HNNXBMFYSA-N 0 3 368.459 -0.042 20 0 FBADHN COCCNS(=O)(=O)c1ccc(CNC[C@@H](O)Cn2cccn2)cc1 ZINC000644524187 483422004 /nfs/dbraw/zinc/42/20/04/483422004.db2.gz ZCGOWCHYLFXISR-OAHLLOKOSA-N 0 3 368.459 -0.042 20 0 FBADHN CC(C)NS(=O)(=O)CCNC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000644532072 483422433 /nfs/dbraw/zinc/42/24/33/483422433.db2.gz ZAWYWVAGJMBKKS-GFCCVEGCSA-N 0 3 369.443 -0.439 20 0 FBADHN CC(C)NS(=O)(=O)CCNC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000644532073 483421920 /nfs/dbraw/zinc/42/19/20/483421920.db2.gz ZAWYWVAGJMBKKS-LBPRGKRZSA-N 0 3 369.443 -0.439 20 0 FBADHN CN1CCN(C[C@@H](O)CNCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000644533253 483424052 /nfs/dbraw/zinc/42/40/52/483424052.db2.gz MXSWWZAWESLLTB-KRWDZBQOSA-N 0 3 352.454 -0.318 20 0 FBADHN CN1CCN(C[C@H](O)CNCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000644533254 483423857 /nfs/dbraw/zinc/42/38/57/483423857.db2.gz MXSWWZAWESLLTB-QGZVFWFLSA-N 0 3 352.454 -0.318 20 0 FBADHN CC(C)(CNC[C@@H](O)CN1C(=O)c2ccccc2C1=O)NS(C)(=O)=O ZINC000644557284 483423207 /nfs/dbraw/zinc/42/32/07/483423207.db2.gz AIHKOZVPXQYHNW-LLVKDONJSA-N 0 3 369.443 -0.439 20 0 FBADHN CC(C)(CNC[C@H](O)CN1C(=O)c2ccccc2C1=O)NS(C)(=O)=O ZINC000644557285 483423196 /nfs/dbraw/zinc/42/31/96/483423196.db2.gz AIHKOZVPXQYHNW-NSHDSACASA-N 0 3 369.443 -0.439 20 0 FBADHN CN(c1ccc(CNC[C@H](O)CN2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000644561038 483423252 /nfs/dbraw/zinc/42/32/52/483423252.db2.gz DLWJERLNOMEHRY-KRWDZBQOSA-N 0 3 370.519 -0.220 20 0 FBADHN CN(c1ccc(CNC[C@@H](O)CN2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000644561041 483424210 /nfs/dbraw/zinc/42/42/10/483424210.db2.gz DLWJERLNOMEHRY-QGZVFWFLSA-N 0 3 370.519 -0.220 20 0 FBADHN CN(c1ccc(CNC[C@H](O)CN2CCOCC2)cc1)S(C)(=O)=O ZINC000644561104 483423387 /nfs/dbraw/zinc/42/33/87/483423387.db2.gz LOPAJLCJTOZZFY-INIZCTEOSA-N 0 3 357.476 -0.135 20 0 FBADHN CN(c1ccc(CNC[C@@H](O)CN2CCOCC2)cc1)S(C)(=O)=O ZINC000644561106 483423794 /nfs/dbraw/zinc/42/37/94/483423794.db2.gz LOPAJLCJTOZZFY-MRXNPFEDSA-N 0 3 357.476 -0.135 20 0 FBADHN CC(=O)Nc1ccc(OC[C@H](O)CNCCN2C(=O)CNC2=O)cc1 ZINC000644564909 483423626 /nfs/dbraw/zinc/42/36/26/483423626.db2.gz UNYFQCAJLSYVHV-CYBMUJFWSA-N 0 3 350.375 -0.474 20 0 FBADHN CC(=O)Nc1ccc(OC[C@@H](O)CNCCN2C(=O)CNC2=O)cc1 ZINC000644564910 483424136 /nfs/dbraw/zinc/42/41/36/483424136.db2.gz UNYFQCAJLSYVHV-ZDUSSCGKSA-N 0 3 350.375 -0.474 20 0 FBADHN O[C@@H](CNCc1cnc(N2CCOCC2)c(F)c1)CN1CCOCC1 ZINC000644623301 483426090 /nfs/dbraw/zinc/42/60/90/483426090.db2.gz GQXWXVRIIWEKJK-HNNXBMFYSA-N 0 3 354.426 -0.160 20 0 FBADHN O[C@H](CNCc1cnc(N2CCOCC2)c(F)c1)CN1CCOCC1 ZINC000644623302 483425973 /nfs/dbraw/zinc/42/59/73/483425973.db2.gz GQXWXVRIIWEKJK-OAHLLOKOSA-N 0 3 354.426 -0.160 20 0 FBADHN CNS(=O)(=O)CCNC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000644628829 483425595 /nfs/dbraw/zinc/42/55/95/483425595.db2.gz OKLJUYNOXHHKBW-GFCCVEGCSA-N 0 3 357.432 -0.550 20 0 FBADHN CNS(=O)(=O)CCNC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000644628830 483425323 /nfs/dbraw/zinc/42/53/23/483425323.db2.gz OKLJUYNOXHHKBW-LBPRGKRZSA-N 0 3 357.432 -0.550 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNC[C@H]2CCCCN2S(C)(=O)=O)C[C@@H](C)O1 ZINC000644646141 483425884 /nfs/dbraw/zinc/42/58/84/483425884.db2.gz PVQPXIUKSGGLQQ-KLHDSHLOSA-N 0 3 363.524 -0.140 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNC[C@@H]2CCCCN2S(C)(=O)=O)C[C@@H](C)O1 ZINC000644646145 483426740 /nfs/dbraw/zinc/42/67/40/483426740.db2.gz PVQPXIUKSGGLQQ-LVQVYYBASA-N 0 3 363.524 -0.140 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNC[C@H]2CCCCN2S(C)(=O)=O)C[C@H](C)O1 ZINC000644646146 483426225 /nfs/dbraw/zinc/42/62/25/483426225.db2.gz PVQPXIUKSGGLQQ-QKPAOTATSA-N 0 3 363.524 -0.140 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CNC[C@@H]2CCCCN2S(C)(=O)=O)C[C@H](C)O1 ZINC000644646147 483426771 /nfs/dbraw/zinc/42/67/71/483426771.db2.gz PVQPXIUKSGGLQQ-XUWVNRHRSA-N 0 3 363.524 -0.140 20 0 FBADHN CN1C[C@H]2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@H]2C1 ZINC000644727670 483434049 /nfs/dbraw/zinc/43/40/49/483434049.db2.gz AGSFQICVQVQERW-CVEARBPZSA-N 0 3 365.522 -0.319 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000644727671 483434088 /nfs/dbraw/zinc/43/40/88/483434088.db2.gz AGSFQICVQVQERW-HOTGVXAUSA-N 0 3 365.522 -0.319 20 0 FBADHN CN1C[C@H]2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000644727672 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/nfs/dbraw/zinc/17/54/59/484175459.db2.gz NIDALQVUEWLRPC-OAHLLOKOSA-N 0 3 359.492 -0.017 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000645098523 484180228 /nfs/dbraw/zinc/18/02/28/484180228.db2.gz PPCMPQFGHRGKLU-AWEZNQCLSA-N 0 3 355.483 -0.141 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000645098527 484180734 /nfs/dbraw/zinc/18/07/34/484180734.db2.gz PPCMPQFGHRGKLU-CQSZACIVSA-N 0 3 355.483 -0.141 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1C ZINC000645111346 484184048 /nfs/dbraw/zinc/18/40/48/484184048.db2.gz XNWXJHMGYSMXHN-KBPBESRZSA-N 0 3 369.491 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1C ZINC000645111350 484183996 /nfs/dbraw/zinc/18/39/96/484183996.db2.gz XNWXJHMGYSMXHN-KGLIPLIRSA-N 0 3 369.491 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1C ZINC000645111352 484184864 /nfs/dbraw/zinc/18/48/64/484184864.db2.gz XNWXJHMGYSMXHN-UONOGXRCSA-N 0 3 369.491 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1C ZINC000645111353 484184613 /nfs/dbraw/zinc/18/46/13/484184613.db2.gz XNWXJHMGYSMXHN-ZIAGYGMSSA-N 0 3 369.491 -0.003 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCCN1CCN(C)CC1 ZINC000645139745 484187768 /nfs/dbraw/zinc/18/77/68/484187768.db2.gz QRHAWMCUPDSMIX-INIZCTEOSA-N 0 3 368.526 -0.225 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCCN1CCN(C)CC1 ZINC000645139747 484188141 /nfs/dbraw/zinc/18/81/41/484188141.db2.gz QRHAWMCUPDSMIX-MRXNPFEDSA-N 0 3 368.526 -0.225 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)NC1CCN(S(C)(=O)=O)CC1)CCO2 ZINC000645142560 484187362 /nfs/dbraw/zinc/18/73/62/484187362.db2.gz IDXVWWOMYDIHLR-UHFFFAOYSA-N 0 3 374.507 -0.083 20 0 FBADHN CN1CCN(C(=O)CCNC(=O)N2CCOC3(CCN(C)CC3)C2)CC1 ZINC000645159701 484197905 /nfs/dbraw/zinc/19/79/05/484197905.db2.gz KKJCVKGBSIBRPV-UHFFFAOYSA-N 0 3 367.494 -0.343 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCCN1CCOCC1 ZINC000645161194 484197348 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CN(CCCNC(=O)N1CCOC2(CCN(C)CC2)C1)S(C)(=O)=O ZINC000645175624 484207736 /nfs/dbraw/zinc/20/77/36/484207736.db2.gz IGUXLNAPKAYNBV-UHFFFAOYSA-N 0 3 362.496 -0.226 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000645177899 484209522 /nfs/dbraw/zinc/20/95/22/484209522.db2.gz XKQGPWRSHUEOAU-HNNXBMFYSA-N 0 3 363.480 -0.446 20 0 FBADHN COCCN(C)CCCNC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000645177900 484208859 /nfs/dbraw/zinc/20/88/59/484208859.db2.gz XKQGPWRSHUEOAU-OAHLLOKOSA-N 0 3 363.480 -0.446 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645206741 484230112 /nfs/dbraw/zinc/23/01/12/484230112.db2.gz VPMFQQBODDKNNM-GFCCVEGCSA-N 0 3 363.484 -0.923 20 0 FBADHN CCS(=O)(=O)NCCCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645206742 484230838 /nfs/dbraw/zinc/23/08/38/484230838.db2.gz VPMFQQBODDKNNM-LBPRGKRZSA-N 0 3 363.484 -0.923 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645207719 484230499 /nfs/dbraw/zinc/23/04/99/484230499.db2.gz OCHQEJRNRKPDTE-GFCCVEGCSA-N 0 3 363.484 -0.924 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645207720 484230668 /nfs/dbraw/zinc/23/06/68/484230668.db2.gz OCHQEJRNRKPDTE-LBPRGKRZSA-N 0 3 363.484 -0.924 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCN1C(=O)CCC1=O ZINC000645211278 484235323 /nfs/dbraw/zinc/23/53/23/484235323.db2.gz BADBGQUVTDBHLL-GFCCVEGCSA-N 0 3 353.423 -0.713 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCN1C(=O)CCC1=O ZINC000645211283 484235061 /nfs/dbraw/zinc/23/50/61/484235061.db2.gz BADBGQUVTDBHLL-LBPRGKRZSA-N 0 3 353.423 -0.713 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)CCO2 ZINC000645211972 484236356 /nfs/dbraw/zinc/23/63/56/484236356.db2.gz WYLAPSMXIAGPCC-AWEZNQCLSA-N 0 3 374.507 -0.083 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)CCO2 ZINC000645211973 484236536 /nfs/dbraw/zinc/23/65/36/484236536.db2.gz WYLAPSMXIAGPCC-CQSZACIVSA-N 0 3 374.507 -0.083 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1nnnn1-c1ccccc1 ZINC000645216515 484239839 /nfs/dbraw/zinc/23/98/39/484239839.db2.gz RFXJWOSOUSOYDD-CYBMUJFWSA-N 0 3 372.433 -0.076 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1nnnn1-c1ccccc1 ZINC000645216516 484239342 /nfs/dbraw/zinc/23/93/42/484239342.db2.gz RFXJWOSOUSOYDD-ZDUSSCGKSA-N 0 3 372.433 -0.076 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000645217753 484239525 /nfs/dbraw/zinc/23/95/25/484239525.db2.gz BFOCLLHRCPULFX-LLVKDONJSA-N 0 3 363.484 -0.924 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000645217754 484239467 /nfs/dbraw/zinc/23/94/67/484239467.db2.gz BFOCLLHRCPULFX-NSHDSACASA-N 0 3 363.484 -0.924 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645226684 484242546 /nfs/dbraw/zinc/24/25/46/484242546.db2.gz AOTXEHKZUGFKFE-UHFFFAOYSA-N 0 3 362.496 -0.180 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1CCOCC1(C)C ZINC000645231579 484242057 /nfs/dbraw/zinc/24/20/57/484242057.db2.gz AQUCECXOJBYDDB-AWEZNQCLSA-N 0 3 355.483 -0.141 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1CCOCC1(C)C ZINC000645231580 484241776 /nfs/dbraw/zinc/24/17/76/484241776.db2.gz AQUCECXOJBYDDB-CQSZACIVSA-N 0 3 355.483 -0.141 20 0 FBADHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000645231675 484244622 /nfs/dbraw/zinc/24/46/22/484244622.db2.gz APJZONTVNKBCBU-LLVKDONJSA-N 0 3 367.431 -0.161 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645232356 484244485 /nfs/dbraw/zinc/24/44/85/484244485.db2.gz UUZZXNMLPZXZGM-CABCVRRESA-N 0 3 355.483 -0.141 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645232357 484244607 /nfs/dbraw/zinc/24/46/07/484244607.db2.gz UUZZXNMLPZXZGM-GJZGRUSLSA-N 0 3 355.483 -0.141 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645232358 484244205 /nfs/dbraw/zinc/24/42/05/484244205.db2.gz UUZZXNMLPZXZGM-HUUCEWRRSA-N 0 3 355.483 -0.141 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645232359 484243642 /nfs/dbraw/zinc/24/36/42/484243642.db2.gz UUZZXNMLPZXZGM-LSDHHAIUSA-N 0 3 355.483 -0.141 20 0 FBADHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000645235130 484244136 /nfs/dbraw/zinc/24/41/36/484244136.db2.gz ODOWTQQDCRINBX-KKUMJFAQSA-N 0 3 355.483 -0.143 20 0 FBADHN C[C@H]([C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)N1CCOCC1 ZINC000645235132 484243704 /nfs/dbraw/zinc/24/37/04/484243704.db2.gz ODOWTQQDCRINBX-RRFJBIMHSA-N 0 3 355.483 -0.143 20 0 FBADHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)[C@H](C)N1CCOCC1 ZINC000645235134 484243967 /nfs/dbraw/zinc/24/39/67/484243967.db2.gz ODOWTQQDCRINBX-SOUVJXGZSA-N 0 3 355.483 -0.143 20 0 FBADHN C[C@H]([C@H](C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)N1CCOCC1 ZINC000645235135 484244258 /nfs/dbraw/zinc/24/42/58/484244258.db2.gz ODOWTQQDCRINBX-ZNMIVQPWSA-N 0 3 355.483 -0.143 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)NCCCN1CCCS1(=O)=O)CCO2 ZINC000645243649 484255126 /nfs/dbraw/zinc/25/51/26/484255126.db2.gz OWARLIHQPUTBCD-UHFFFAOYSA-N 0 3 374.507 -0.082 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCc1ncn(C)n1 ZINC000645243722 484254795 /nfs/dbraw/zinc/25/47/95/484254795.db2.gz RCEFVGHPJAMYLB-AWEZNQCLSA-N 0 3 365.482 -0.010 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCc1ncn(C)n1 ZINC000645243729 484254398 /nfs/dbraw/zinc/25/43/98/484254398.db2.gz RCEFVGHPJAMYLB-CQSZACIVSA-N 0 3 365.482 -0.010 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000645256208 484310975 /nfs/dbraw/zinc/31/09/75/484310975.db2.gz ZUZRDKLZFFLAGM-GFCCVEGCSA-N 0 3 360.480 -0.427 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000645256209 484310758 /nfs/dbraw/zinc/31/07/58/484310758.db2.gz ZUZRDKLZFFLAGM-LBPRGKRZSA-N 0 3 360.480 -0.427 20 0 FBADHN C[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CN1CCN(C)CC1 ZINC000645262434 483500714 /nfs/dbraw/zinc/50/07/14/483500714.db2.gz AUVFQBDMVMYIFX-CVEARBPZSA-N 0 3 368.526 -0.369 20 0 FBADHN C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CN1CCN(C)CC1 ZINC000645262435 483500138 /nfs/dbraw/zinc/50/01/38/483500138.db2.gz AUVFQBDMVMYIFX-HOTGVXAUSA-N 0 3 368.526 -0.369 20 0 FBADHN C[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CN1CCN(C)CC1 ZINC000645262436 483500632 /nfs/dbraw/zinc/50/06/32/483500632.db2.gz AUVFQBDMVMYIFX-HZPDHXFCSA-N 0 3 368.526 -0.369 20 0 FBADHN C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CN1CCN(C)CC1 ZINC000645262437 483500901 /nfs/dbraw/zinc/50/09/01/483500901.db2.gz AUVFQBDMVMYIFX-JKSUJKDBSA-N 0 3 368.526 -0.369 20 0 FBADHN COCCN1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000645262693 483501871 /nfs/dbraw/zinc/50/18/71/483501871.db2.gz KICJCXGHPOHRHV-AWEZNQCLSA-N 0 3 355.483 -0.141 20 0 FBADHN COCCN1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000645262694 483502287 /nfs/dbraw/zinc/50/22/87/483502287.db2.gz KICJCXGHPOHRHV-CQSZACIVSA-N 0 3 355.483 -0.141 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000645262894 483503014 /nfs/dbraw/zinc/50/30/14/483503014.db2.gz DVMWNTUUGLBIGD-AWEZNQCLSA-N 0 3 355.483 -0.141 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000645262895 483503081 /nfs/dbraw/zinc/50/30/81/483503081.db2.gz DVMWNTUUGLBIGD-CQSZACIVSA-N 0 3 355.483 -0.141 20 0 FBADHN C[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CN1CCOCC1 ZINC000645264114 483556397 /nfs/dbraw/zinc/55/63/97/483556397.db2.gz ZVIXJJARRSSGRT-CABCVRRESA-N 0 3 355.483 -0.284 20 0 FBADHN C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CN1CCOCC1 ZINC000645264115 483556831 /nfs/dbraw/zinc/55/68/31/483556831.db2.gz ZVIXJJARRSSGRT-GJZGRUSLSA-N 0 3 355.483 -0.284 20 0 FBADHN C[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CN1CCOCC1 ZINC000645264116 483556659 /nfs/dbraw/zinc/55/66/59/483556659.db2.gz ZVIXJJARRSSGRT-HUUCEWRRSA-N 0 3 355.483 -0.284 20 0 FBADHN C[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CN1CCOCC1 ZINC000645264117 483556511 /nfs/dbraw/zinc/55/65/11/483556511.db2.gz ZVIXJJARRSSGRT-LSDHHAIUSA-N 0 3 355.483 -0.284 20 0 FBADHN CC[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C(=O)N1CCOCC1 ZINC000645264526 483563980 /nfs/dbraw/zinc/56/39/80/483563980.db2.gz LGVMOEMHKNDNNI-KBPBESRZSA-N 0 3 369.466 -0.615 20 0 FBADHN CC[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C(=O)N1CCOCC1 ZINC000645264532 483563363 /nfs/dbraw/zinc/56/33/63/483563363.db2.gz LGVMOEMHKNDNNI-KGLIPLIRSA-N 0 3 369.466 -0.615 20 0 FBADHN CC[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C(=O)N1CCOCC1 ZINC000645264536 483563857 /nfs/dbraw/zinc/56/38/57/483563857.db2.gz LGVMOEMHKNDNNI-UONOGXRCSA-N 0 3 369.466 -0.615 20 0 FBADHN CC[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C(=O)N1CCOCC1 ZINC000645264541 483563573 /nfs/dbraw/zinc/56/35/73/483563573.db2.gz LGVMOEMHKNDNNI-ZIAGYGMSSA-N 0 3 369.466 -0.615 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645264890 483578436 /nfs/dbraw/zinc/57/84/36/483578436.db2.gz HKEBVLXHEOMVOB-CABCVRRESA-N 0 3 354.499 -0.616 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645264901 483576926 /nfs/dbraw/zinc/57/69/26/483576926.db2.gz HKEBVLXHEOMVOB-GJZGRUSLSA-N 0 3 354.499 -0.616 20 0 FBADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645265186 483581502 /nfs/dbraw/zinc/58/15/02/483581502.db2.gz HKEBVLXHEOMVOB-HUUCEWRRSA-N 0 3 354.499 -0.616 20 0 FBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645265189 483581759 /nfs/dbraw/zinc/58/17/59/483581759.db2.gz HKEBVLXHEOMVOB-LSDHHAIUSA-N 0 3 354.499 -0.616 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1=O ZINC000645265815 483609438 /nfs/dbraw/zinc/60/94/38/483609438.db2.gz IQFPINCCNTYFKL-MQYQWHSLSA-N 0 3 351.451 -0.243 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1=O ZINC000645265816 483609349 /nfs/dbraw/zinc/60/93/49/483609349.db2.gz IQFPINCCNTYFKL-RFGFWPKPSA-N 0 3 351.451 -0.243 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1=O ZINC000645265817 483609306 /nfs/dbraw/zinc/60/93/06/483609306.db2.gz IQFPINCCNTYFKL-RQJABVFESA-N 0 3 351.451 -0.243 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1=O ZINC000645265818 483608546 /nfs/dbraw/zinc/60/85/46/483608546.db2.gz IQFPINCCNTYFKL-SYQHCUMBSA-N 0 3 351.451 -0.243 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cnc(N(C)C)n1C ZINC000645266404 483611634 /nfs/dbraw/zinc/61/16/34/483611634.db2.gz YNMYPGCUPDBIJQ-GFCCVEGCSA-N 0 3 351.455 -0.253 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cnc(N(C)C)n1C ZINC000645266411 483611601 /nfs/dbraw/zinc/61/16/01/483611601.db2.gz YNMYPGCUPDBIJQ-LBPRGKRZSA-N 0 3 351.455 -0.253 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)NCCCN1C(=O)CNC1=O)CCO2 ZINC000645271973 483634749 /nfs/dbraw/zinc/63/47/49/483634749.db2.gz VEHCUMMVZMQPGE-UHFFFAOYSA-N 0 3 353.423 -0.566 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)NCC(C)(C)NS(C)(=O)=O)CCO2 ZINC000645276897 483675992 /nfs/dbraw/zinc/67/59/92/483675992.db2.gz KGDFNLZSVHOSMF-UHFFFAOYSA-N 0 3 362.496 -0.180 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645277436 483676266 /nfs/dbraw/zinc/67/62/66/483676266.db2.gz XNPINHRADMVLBH-CHWSQXEVSA-N 0 3 354.455 -0.448 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000645277437 483676632 /nfs/dbraw/zinc/67/66/32/483676632.db2.gz XNPINHRADMVLBH-OLZOCXBDSA-N 0 3 354.455 -0.448 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645277438 483676294 /nfs/dbraw/zinc/67/62/94/483676294.db2.gz XNPINHRADMVLBH-QWHCGFSZSA-N 0 3 354.455 -0.448 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000645277439 483676595 /nfs/dbraw/zinc/67/65/95/483676595.db2.gz XNPINHRADMVLBH-STQMWFEESA-N 0 3 354.455 -0.448 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000645295301 483724213 /nfs/dbraw/zinc/72/42/13/483724213.db2.gz XCRDCZRZOBVIEJ-GFCCVEGCSA-N 0 3 360.480 -0.427 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000645295303 483724462 /nfs/dbraw/zinc/72/44/62/483724462.db2.gz XCRDCZRZOBVIEJ-LBPRGKRZSA-N 0 3 360.480 -0.427 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000645300442 483742061 /nfs/dbraw/zinc/74/20/61/483742061.db2.gz BVMLDCZZMRITNL-CYBMUJFWSA-N 0 3 374.507 -0.037 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000645300447 483742136 /nfs/dbraw/zinc/74/21/36/483742136.db2.gz BVMLDCZZMRITNL-ZDUSSCGKSA-N 0 3 374.507 -0.037 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000645306388 483777909 /nfs/dbraw/zinc/77/79/09/483777909.db2.gz OSLPGKKJDQVJSF-HZSPNIEDSA-N 0 3 369.466 -0.616 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000645306395 483777333 /nfs/dbraw/zinc/77/73/33/483777333.db2.gz OSLPGKKJDQVJSF-MCIONIFRSA-N 0 3 369.466 -0.616 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000645306399 483777419 /nfs/dbraw/zinc/77/74/19/483777419.db2.gz OSLPGKKJDQVJSF-MGPQQGTHSA-N 0 3 369.466 -0.616 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000645306401 483777488 /nfs/dbraw/zinc/77/74/88/483777488.db2.gz OSLPGKKJDQVJSF-RDBSUJKOSA-N 0 3 369.466 -0.616 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000645311410 483789329 /nfs/dbraw/zinc/78/93/29/483789329.db2.gz JNBVORKDHOWBDM-GASCZTMLSA-N 0 3 350.463 -0.111 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000645315541 483802645 /nfs/dbraw/zinc/80/26/45/483802645.db2.gz SBTGQKVCPGRBRO-CHWSQXEVSA-N 0 3 360.480 -0.285 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000645315542 483802386 /nfs/dbraw/zinc/80/23/86/483802386.db2.gz SBTGQKVCPGRBRO-OLZOCXBDSA-N 0 3 360.480 -0.285 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000645315543 483802406 /nfs/dbraw/zinc/80/24/06/483802406.db2.gz SBTGQKVCPGRBRO-QWHCGFSZSA-N 0 3 360.480 -0.285 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000645315544 483802365 /nfs/dbraw/zinc/80/23/65/483802365.db2.gz SBTGQKVCPGRBRO-STQMWFEESA-N 0 3 360.480 -0.285 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1nnnn1CC1CC1 ZINC000645327229 483811410 /nfs/dbraw/zinc/81/14/10/483811410.db2.gz FHSSCQMRZDFHMU-LLVKDONJSA-N 0 3 350.427 -0.656 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1nnnn1CC1CC1 ZINC000645327230 483811239 /nfs/dbraw/zinc/81/12/39/483811239.db2.gz FHSSCQMRZDFHMU-NSHDSACASA-N 0 3 350.427 -0.656 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645328061 483811453 /nfs/dbraw/zinc/81/14/53/483811453.db2.gz IMYBWZMEAKUISZ-CVEARBPZSA-N 0 3 368.526 -0.226 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645328066 483811261 /nfs/dbraw/zinc/81/12/61/483811261.db2.gz IMYBWZMEAKUISZ-HOTGVXAUSA-N 0 3 368.526 -0.226 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645328068 483811413 /nfs/dbraw/zinc/81/14/13/483811413.db2.gz IMYBWZMEAKUISZ-HZPDHXFCSA-N 0 3 368.526 -0.226 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645328070 483811386 /nfs/dbraw/zinc/81/13/86/483811386.db2.gz IMYBWZMEAKUISZ-JKSUJKDBSA-N 0 3 368.526 -0.226 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCCCS(C)(=O)=O ZINC000645330305 483811732 /nfs/dbraw/zinc/81/17/32/483811732.db2.gz NCIZAZYNPOGFPE-CYBMUJFWSA-N 0 3 362.496 -0.037 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCCCS(C)(=O)=O ZINC000645330306 483811650 /nfs/dbraw/zinc/81/16/50/483811650.db2.gz NCIZAZYNPOGFPE-ZDUSSCGKSA-N 0 3 362.496 -0.037 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645333216 483812978 /nfs/dbraw/zinc/81/29/78/483812978.db2.gz RVBKXTZCLLIOPF-QLFBSQMISA-N 0 3 372.466 -0.432 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645333217 483812705 /nfs/dbraw/zinc/81/27/05/483812705.db2.gz RVBKXTZCLLIOPF-RBSFLKMASA-N 0 3 372.466 -0.432 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645333218 483813027 /nfs/dbraw/zinc/81/30/27/483813027.db2.gz RVBKXTZCLLIOPF-RRFJBIMHSA-N 0 3 372.466 -0.432 20 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CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000645698686 484535088 /nfs/dbraw/zinc/53/50/88/484535088.db2.gz PAWKDSFZMNRFRN-INIZCTEOSA-N 0 3 366.487 -0.433 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000645698687 484534751 /nfs/dbraw/zinc/53/47/51/484534751.db2.gz PAWKDSFZMNRFRN-MRXNPFEDSA-N 0 3 366.487 -0.433 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000645699337 484534643 /nfs/dbraw/zinc/53/46/43/484534643.db2.gz XZPZMJBTXDGOKC-HNNXBMFYSA-N 0 3 354.476 -0.230 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000645699340 484534783 /nfs/dbraw/zinc/53/47/83/484534783.db2.gz XZPZMJBTXDGOKC-OAHLLOKOSA-N 0 3 354.476 -0.230 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000645699868 484535587 /nfs/dbraw/zinc/53/55/87/484535587.db2.gz FERHQAUKMAJLNX-HNNXBMFYSA-N 0 3 354.476 -0.578 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000645699870 484535302 /nfs/dbraw/zinc/53/53/02/484535302.db2.gz FERHQAUKMAJLNX-OAHLLOKOSA-N 0 3 354.476 -0.578 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000645700919 484537619 /nfs/dbraw/zinc/53/76/19/484537619.db2.gz QHBPROIEZYNMBY-UHFFFAOYSA-N 0 3 352.460 -0.403 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000645701468 484543811 /nfs/dbraw/zinc/54/38/11/484543811.db2.gz VXIRXBMUZYMKFA-HNNXBMFYSA-N 0 3 372.466 -0.439 20 0 FBADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000645701469 484543280 /nfs/dbraw/zinc/54/32/80/484543280.db2.gz VXIRXBMUZYMKFA-OAHLLOKOSA-N 0 3 372.466 -0.439 20 0 FBADHN CCc1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)no1 ZINC000645749796 484451533 /nfs/dbraw/zinc/45/15/33/484451533.db2.gz RVAWKHSNCKNGTM-UHFFFAOYSA-N 0 3 365.434 0.284 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCc2ncn(C)n2)CC1 ZINC000645767455 484021498 /nfs/dbraw/zinc/02/14/98/484021498.db2.gz FPTLHEGRPUFZET-UHFFFAOYSA-N 0 3 365.482 -0.057 20 0 FBADHN Cn1cnc(CCCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000645769106 484029030 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Cc1ccc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1C(N)=O ZINC000645834515 484178789 /nfs/dbraw/zinc/17/87/89/484178789.db2.gz QMHBTJOQCCUVKC-LBPRGKRZSA-N 0 3 368.459 -0.166 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000645834705 484179810 /nfs/dbraw/zinc/17/98/10/484179810.db2.gz XRUSRZVAAVEMHA-LLVKDONJSA-N 0 3 354.432 -0.474 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000645834706 484180709 /nfs/dbraw/zinc/18/07/09/484180709.db2.gz XRUSRZVAAVEMHA-NSHDSACASA-N 0 3 354.432 -0.474 20 0 FBADHN CNC(=O)c1ccc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC000645834763 484181669 /nfs/dbraw/zinc/18/16/69/484181669.db2.gz ZKMYJXZYQNRWQV-GFCCVEGCSA-N 0 3 368.459 -0.213 20 0 FBADHN CNC(=O)c1ccc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC000645834764 484182178 /nfs/dbraw/zinc/18/21/78/484182178.db2.gz ZKMYJXZYQNRWQV-LBPRGKRZSA-N 0 3 368.459 -0.213 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000645835082 484183479 /nfs/dbraw/zinc/18/34/79/484183479.db2.gz HGMPVUNHBCOYMO-GFCCVEGCSA-N 0 3 355.464 -0.112 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000645835083 484183561 /nfs/dbraw/zinc/18/35/61/484183561.db2.gz HGMPVUNHBCOYMO-LBPRGKRZSA-N 0 3 355.464 -0.112 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000645835142 484183115 /nfs/dbraw/zinc/18/31/15/484183115.db2.gz IYMYTPRCDHKWBD-JTQLQIEISA-N 0 3 365.406 -0.111 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000645835143 484183691 /nfs/dbraw/zinc/18/36/91/484183691.db2.gz IYMYTPRCDHKWBD-SNVBAGLBSA-N 0 3 365.406 -0.111 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCCN1CCOCC1 ZINC000645835310 484183710 /nfs/dbraw/zinc/18/37/10/484183710.db2.gz NKTHLJXRHHMGDW-AWEZNQCLSA-N 0 3 362.496 -0.910 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCCN1CCOCC1 ZINC000645835311 484183915 /nfs/dbraw/zinc/18/39/15/484183915.db2.gz NKTHLJXRHHMGDW-CQSZACIVSA-N 0 3 362.496 -0.910 20 0 FBADHN COCCn1cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cn1 ZINC000645835516 484185508 /nfs/dbraw/zinc/18/55/08/484185508.db2.gz UFMRWNHVZPQSTH-GFCCVEGCSA-N 0 3 359.452 -0.730 20 0 FBADHN COCCn1cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cn1 ZINC000645835517 484184507 /nfs/dbraw/zinc/18/45/07/484184507.db2.gz UFMRWNHVZPQSTH-LBPRGKRZSA-N 0 3 359.452 -0.730 20 0 FBADHN COCn1nc(C)c(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1C ZINC000645835518 484185381 /nfs/dbraw/zinc/18/53/81/484185381.db2.gz UIZHBBAGRRXSEY-CYBMUJFWSA-N 0 3 373.479 -0.156 20 0 FBADHN COCn1nc(C)c(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1C ZINC000645835519 484185124 /nfs/dbraw/zinc/18/51/24/484185124.db2.gz UIZHBBAGRRXSEY-ZDUSSCGKSA-N 0 3 373.479 -0.156 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCOCC(F)(F)F ZINC000645835606 484185229 /nfs/dbraw/zinc/18/52/29/484185229.db2.gz WACFCVRPSGJLNB-JTQLQIEISA-N 0 3 361.386 -0.053 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCOCC(F)(F)F ZINC000645835607 484185199 /nfs/dbraw/zinc/18/51/99/484185199.db2.gz WACFCVRPSGJLNB-SNVBAGLBSA-N 0 3 361.386 -0.053 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000645835773 484185139 /nfs/dbraw/zinc/18/51/39/484185139.db2.gz YTZCRJWUOLBXPS-CHWSQXEVSA-N 0 3 371.463 -0.415 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000645835774 484185714 /nfs/dbraw/zinc/18/57/14/484185714.db2.gz YTZCRJWUOLBXPS-OLZOCXBDSA-N 0 3 371.463 -0.415 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000645835775 484185263 /nfs/dbraw/zinc/18/52/63/484185263.db2.gz YTZCRJWUOLBXPS-QWHCGFSZSA-N 0 3 371.463 -0.415 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000645835776 484185047 /nfs/dbraw/zinc/18/50/47/484185047.db2.gz YTZCRJWUOLBXPS-STQMWFEESA-N 0 3 371.463 -0.415 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000645836074 484187573 /nfs/dbraw/zinc/18/75/73/484187573.db2.gz DOJUHRIDJDSQNR-LLVKDONJSA-N 0 3 366.447 -0.291 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000645836075 484187657 /nfs/dbraw/zinc/18/76/57/484187657.db2.gz DOJUHRIDJDSQNR-NSHDSACASA-N 0 3 366.447 -0.291 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn2c1OCCC2 ZINC000645836121 484187619 /nfs/dbraw/zinc/18/76/19/484187619.db2.gz GPEAVKMGNQEJFC-LLVKDONJSA-N 0 3 357.436 -0.594 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn2c1OCCC2 ZINC000645836122 484187353 /nfs/dbraw/zinc/18/73/53/484187353.db2.gz GPEAVKMGNQEJFC-NSHDSACASA-N 0 3 357.436 -0.594 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645855939 484272552 /nfs/dbraw/zinc/27/25/52/484272552.db2.gz APCPSXMDIYIJGR-UHFFFAOYSA-N 0 3 369.509 -0.948 20 0 FBADHN CN1CCC2(CC1)CN(S(=O)(=O)CCCN1CCOCC1)CCO2 ZINC000645855971 484272016 /nfs/dbraw/zinc/27/20/16/484272016.db2.gz BTCHCKJUMATFNY-UHFFFAOYSA-N 0 3 361.508 -0.165 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)cc1C(N)=O ZINC000645856029 484271911 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Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000646380408 485236596 /nfs/dbraw/zinc/23/65/96/485236596.db2.gz VONOBBHHYHRSRX-KBPBESRZSA-N 0 3 369.491 -0.063 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000646380409 485235927 /nfs/dbraw/zinc/23/59/27/485235927.db2.gz VONOBBHHYHRSRX-KGLIPLIRSA-N 0 3 369.491 -0.063 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000646380410 485236639 /nfs/dbraw/zinc/23/66/39/485236639.db2.gz VONOBBHHYHRSRX-UONOGXRCSA-N 0 3 369.491 -0.063 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000646380411 485236449 /nfs/dbraw/zinc/23/64/49/485236449.db2.gz VONOBBHHYHRSRX-ZIAGYGMSSA-N 0 3 369.491 -0.063 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000646390114 484486126 /nfs/dbraw/zinc/48/61/26/484486126.db2.gz ZDEVUFUSOYXWCO-GFCCVEGCSA-N 0 3 372.433 0.461 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000646390115 484143997 /nfs/dbraw/zinc/14/39/97/484143997.db2.gz ZDEVUFUSOYXWCO-LBPRGKRZSA-N 0 3 372.433 0.461 20 0 FBADHN CN(C)CCn1nccc1NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000646413850 485274663 /nfs/dbraw/zinc/27/46/63/485274663.db2.gz BFBVKOCPZWRFAM-HNNXBMFYSA-N 0 3 371.463 -0.134 20 0 FBADHN CN(C)CCn1nccc1NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000646413851 485275079 /nfs/dbraw/zinc/27/50/79/485275079.db2.gz BFBVKOCPZWRFAM-OAHLLOKOSA-N 0 3 371.463 -0.134 20 0 FBADHN CN(C)CCn1nccc1NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000646414026 485272858 /nfs/dbraw/zinc/27/28/58/485272858.db2.gz JJFYYGTXSGHLBI-UHFFFAOYSA-N 0 3 358.468 -0.056 20 0 FBADHN CC(C)C[C@H](NC(=O)Cn1ncn(C)c1=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000646414544 485275823 /nfs/dbraw/zinc/27/58/23/485275823.db2.gz GRTVYWUJSSQLPJ-KBPBESRZSA-N 0 3 366.466 -0.725 20 0 FBADHN CC(C)C[C@H](NC(=O)Cn1ncn(C)c1=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000646414545 485276047 /nfs/dbraw/zinc/27/60/47/485276047.db2.gz GRTVYWUJSSQLPJ-KGLIPLIRSA-N 0 3 366.466 -0.725 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1CCOCC1=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000646416739 485282289 /nfs/dbraw/zinc/28/22/89/485282289.db2.gz HWFWSVJNQSTAKA-CABCVRRESA-N 0 3 368.478 -0.461 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1CCOCC1=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000646416740 485282369 /nfs/dbraw/zinc/28/23/69/485282369.db2.gz HWFWSVJNQSTAKA-GJZGRUSLSA-N 0 3 368.478 -0.461 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646418853 485285284 /nfs/dbraw/zinc/28/52/84/485285284.db2.gz XUDQQPQOVKCFCH-OLZOCXBDSA-N 0 3 367.450 -0.768 20 0 FBADHN CC(C)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646418854 485285331 /nfs/dbraw/zinc/28/53/31/485285331.db2.gz XUDQQPQOVKCFCH-STQMWFEESA-N 0 3 367.450 -0.768 20 0 FBADHN CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646421615 485288944 /nfs/dbraw/zinc/28/89/44/485288944.db2.gz XPBPTAIYAFLWEC-AGIUHOORSA-N 0 3 367.450 -0.722 20 0 FBADHN CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646421616 485288763 /nfs/dbraw/zinc/28/87/63/485288763.db2.gz XPBPTAIYAFLWEC-AVGNSLFASA-N 0 3 367.450 -0.722 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)NCC(=O)NCCN2CCCCCC2)c1=O ZINC000646427844 485296949 /nfs/dbraw/zinc/29/69/49/485296949.db2.gz WXCRZAZEEWQSAO-UHFFFAOYSA-N 0 3 351.407 -0.792 20 0 FBADHN Cn1cc(C(=O)NCC(=O)NCCN2CCCCCC2)c(=O)[nH]c1=O ZINC000646427872 485297840 /nfs/dbraw/zinc/29/78/40/485297840.db2.gz CIYQEMMXGIUMNY-UHFFFAOYSA-N 0 3 351.407 -0.792 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000646444381 483909135 /nfs/dbraw/zinc/90/91/35/483909135.db2.gz MCIRWSFOERWXQQ-KBPBESRZSA-N 0 3 363.480 -0.736 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000646444385 483909153 /nfs/dbraw/zinc/90/91/53/483909153.db2.gz MCIRWSFOERWXQQ-KGLIPLIRSA-N 0 3 363.480 -0.736 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000646444387 483908980 /nfs/dbraw/zinc/90/89/80/483908980.db2.gz MCIRWSFOERWXQQ-UONOGXRCSA-N 0 3 363.480 -0.736 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000646444388 483909111 /nfs/dbraw/zinc/90/91/11/483909111.db2.gz MCIRWSFOERWXQQ-ZIAGYGMSSA-N 0 3 363.480 -0.736 20 0 FBADHN CN(C)C(=O)Cn1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)nn1 ZINC000646446962 483913142 /nfs/dbraw/zinc/91/31/42/483913142.db2.gz OGVDEKLPSPKAPA-KBPBESRZSA-N 0 3 350.423 -0.699 20 0 FBADHN CN(C)C(=O)Cn1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)nn1 ZINC000646446963 483913123 /nfs/dbraw/zinc/91/31/23/483913123.db2.gz OGVDEKLPSPKAPA-KGLIPLIRSA-N 0 3 350.423 -0.699 20 0 FBADHN CN(C)C(=O)Cn1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)nn1 ZINC000646446964 483913113 /nfs/dbraw/zinc/91/31/13/483913113.db2.gz OGVDEKLPSPKAPA-UONOGXRCSA-N 0 3 350.423 -0.699 20 0 FBADHN CN(C)C(=O)Cn1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)nn1 ZINC000646446965 483913258 /nfs/dbraw/zinc/91/32/58/483913258.db2.gz OGVDEKLPSPKAPA-ZIAGYGMSSA-N 0 3 350.423 -0.699 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000646454429 483919380 /nfs/dbraw/zinc/91/93/80/483919380.db2.gz FQRMKVCJLNSPBD-GXTWGEPZSA-N 0 3 358.402 -0.237 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000646454431 483920332 /nfs/dbraw/zinc/92/03/32/483920332.db2.gz FQRMKVCJLNSPBD-OCCSQVGLSA-N 0 3 358.402 -0.237 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000646454650 483920089 /nfs/dbraw/zinc/92/00/89/483920089.db2.gz IITSOHJQQPHRSX-CABCVRRESA-N 0 3 359.492 -0.020 20 0 FBADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000646454651 483920358 /nfs/dbraw/zinc/92/03/58/483920358.db2.gz IITSOHJQQPHRSX-GJZGRUSLSA-N 0 3 359.492 -0.020 20 0 FBADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000646454652 483920194 /nfs/dbraw/zinc/92/01/94/483920194.db2.gz IITSOHJQQPHRSX-HUUCEWRRSA-N 0 3 359.492 -0.020 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000646454653 483920175 /nfs/dbraw/zinc/92/01/75/483920175.db2.gz IITSOHJQQPHRSX-LSDHHAIUSA-N 0 3 359.492 -0.020 20 0 FBADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000646455226 483919643 /nfs/dbraw/zinc/91/96/43/483919643.db2.gz LRZLXRPHIKJPNY-KBPBESRZSA-N 0 3 360.418 -0.548 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000646455227 483920040 /nfs/dbraw/zinc/92/00/40/483920040.db2.gz LRZLXRPHIKJPNY-KGLIPLIRSA-N 0 3 360.418 -0.548 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000646455228 483919985 /nfs/dbraw/zinc/91/99/85/483919985.db2.gz LRZLXRPHIKJPNY-UONOGXRCSA-N 0 3 360.418 -0.548 20 0 FBADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000646455229 483920073 /nfs/dbraw/zinc/92/00/73/483920073.db2.gz LRZLXRPHIKJPNY-ZIAGYGMSSA-N 0 3 360.418 -0.548 20 0 FBADHN Cc1nnc(CN(C)CC(=O)N2CCOC[C@H]2[C@H]2CCCN2C)n1C ZINC000646456453 483921150 /nfs/dbraw/zinc/92/11/50/483921150.db2.gz TYPSWGPZVRLVPO-CABCVRRESA-N 0 3 350.467 -0.123 20 0 FBADHN Cc1nnc(CN(C)CC(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)n1C ZINC000646456454 483921204 /nfs/dbraw/zinc/92/12/04/483921204.db2.gz TYPSWGPZVRLVPO-GJZGRUSLSA-N 0 3 350.467 -0.123 20 0 FBADHN Cc1nnc(CN(C)CC(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)n1C ZINC000646456455 483921353 /nfs/dbraw/zinc/92/13/53/483921353.db2.gz TYPSWGPZVRLVPO-HUUCEWRRSA-N 0 3 350.467 -0.123 20 0 FBADHN Cc1nnc(CN(C)CC(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)n1C ZINC000646456456 483921277 /nfs/dbraw/zinc/92/12/77/483921277.db2.gz TYPSWGPZVRLVPO-LSDHHAIUSA-N 0 3 350.467 -0.123 20 0 FBADHN CNS(=O)(=O)c1cccc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC000646458293 483925173 /nfs/dbraw/zinc/92/51/73/483925173.db2.gz QUCQATYCKWGFLI-UHFFFAOYSA-N 0 3 366.487 -0.086 20 0 FBADHN CN1CCN(CC2CN(C(=O)[C@@H]3COCCN3CC(F)(F)F)C2)CC1 ZINC000646458455 483924094 /nfs/dbraw/zinc/92/40/94/483924094.db2.gz ZBBXPBYQDTXTFY-AWEZNQCLSA-N 0 3 364.412 -0.045 20 0 FBADHN CN1CCN(CC2CN(C(=O)[C@H]3COCCN3CC(F)(F)F)C2)CC1 ZINC000646458456 483924491 /nfs/dbraw/zinc/92/44/91/483924491.db2.gz ZBBXPBYQDTXTFY-CQSZACIVSA-N 0 3 364.412 -0.045 20 0 FBADHN CN1CCN(CC2CN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C2)CC1 ZINC000646458976 483924171 /nfs/dbraw/zinc/92/41/71/483924171.db2.gz ISEFCSLVFXOULR-UHFFFAOYSA-N 0 3 371.441 -0.192 20 0 FBADHN CN1CCN(CC2CN(C(=O)CNC(=O)COc3ccccc3)C2)CC1 ZINC000646459131 483924033 /nfs/dbraw/zinc/92/40/33/483924033.db2.gz LAMURUZDAGACHI-UHFFFAOYSA-N 0 3 360.458 -0.113 20 0 FBADHN CC(C)[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)N1CCCS1(=O)=O ZINC000646459210 483924539 /nfs/dbraw/zinc/92/45/39/483924539.db2.gz ODSGIFNSSGXBTK-INIZCTEOSA-N 0 3 372.535 -0.248 20 0 FBADHN CC(C)[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)N1CCCS1(=O)=O ZINC000646459211 483924377 /nfs/dbraw/zinc/92/43/77/483924377.db2.gz ODSGIFNSSGXBTK-MRXNPFEDSA-N 0 3 372.535 -0.248 20 0 FBADHN CN1CCN(CC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000646459285 483925107 /nfs/dbraw/zinc/92/51/07/483925107.db2.gz QQXNKAPYCJIGAO-UHFFFAOYSA-N 0 3 356.426 -0.012 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1 ZINC000646460831 483924265 /nfs/dbraw/zinc/92/42/65/483924265.db2.gz LZPYKFPALNTWDM-UHFFFAOYSA-N 0 3 366.487 -0.086 20 0 FBADHN O=C(CNC[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000646555458 484033323 /nfs/dbraw/zinc/03/33/23/484033323.db2.gz RGXWIFISBAJZSK-GFCCVEGCSA-N 0 3 357.436 -0.989 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000646555459 484033282 /nfs/dbraw/zinc/03/32/82/484033282.db2.gz RGXWIFISBAJZSK-LBPRGKRZSA-N 0 3 357.436 -0.989 20 0 FBADHN [NH3+]CCOCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000646558537 484041094 /nfs/dbraw/zinc/04/10/94/484041094.db2.gz NLFPWOQMSGULFG-UHFFFAOYSA-N 0 3 353.803 -0.151 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)nnn3C)CC1 ZINC000646563915 484046250 /nfs/dbraw/zinc/04/62/50/484046250.db2.gz PUWJWBYFILEKFC-UHFFFAOYSA-N 0 3 359.434 -0.340 20 0 FBADHN Cn1c2ncn(CCC(=O)Nc3cccc(CN)c3)c2c(=O)n(C)c1=O ZINC000646580666 484069716 /nfs/dbraw/zinc/06/97/16/484069716.db2.gz JESGGMAFFLGXFQ-UHFFFAOYSA-N 0 3 356.386 -0.079 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCCN1CCCCC1 ZINC000646592020 484081372 /nfs/dbraw/zinc/08/13/72/484081372.db2.gz NZECLXVXRIPZSL-UHFFFAOYSA-N 0 3 356.448 -0.153 20 0 FBADHN Cn1c2ccc(NC(=O)CCC(=O)N3CCCNCC3)nc2n(C)c1=O ZINC000646595304 484482507 /nfs/dbraw/zinc/48/25/07/484482507.db2.gz IBYFQTKTIZPPAX-UHFFFAOYSA-N 0 3 360.418 -0.187 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCNCC1 ZINC000646597273 484089281 /nfs/dbraw/zinc/08/92/81/484089281.db2.gz MPKMLNYWOTZQON-UHFFFAOYSA-N 0 3 356.448 -0.519 20 0 FBADHN CC(C)N1CCC(NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000646600570 484092485 /nfs/dbraw/zinc/09/24/85/484092485.db2.gz IADQLVOFEPFKJO-UHFFFAOYSA-N 0 3 356.448 -0.156 20 0 FBADHN COc1ccccc1[C@H](N)CNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000646603043 484093588 /nfs/dbraw/zinc/09/35/88/484093588.db2.gz GXFSUNRGHCNUGV-CYBMUJFWSA-N 0 3 367.431 -0.477 20 0 FBADHN COc1ccccc1[C@@H](N)CNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000646603044 484093525 /nfs/dbraw/zinc/09/35/25/484093525.db2.gz GXFSUNRGHCNUGV-ZDUSSCGKSA-N 0 3 367.431 -0.477 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)NC[C@@H](N)c1ccccc1OC ZINC000646603565 484095956 /nfs/dbraw/zinc/09/59/56/484095956.db2.gz OYDUFTYMJBMPCD-CYBMUJFWSA-N 0 3 359.448 -0.233 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)NC[C@H](N)c1ccccc1OC ZINC000646603566 484095871 /nfs/dbraw/zinc/09/58/71/484095871.db2.gz OYDUFTYMJBMPCD-ZDUSSCGKSA-N 0 3 359.448 -0.233 20 0 FBADHN COc1ccccc1[C@H](N)CNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000646603620 484096055 /nfs/dbraw/zinc/09/60/55/484096055.db2.gz QBEYZFMUXHMEND-GFCCVEGCSA-N 0 3 367.431 -0.477 20 0 FBADHN COc1ccccc1[C@@H](N)CNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000646603621 484095921 /nfs/dbraw/zinc/09/59/21/484095921.db2.gz QBEYZFMUXHMEND-LBPRGKRZSA-N 0 3 367.431 -0.477 20 0 FBADHN Cc1cnnn1-c1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000646606484 484098682 /nfs/dbraw/zinc/09/86/82/484098682.db2.gz QLHKEZGCQOAKJW-KRWDZBQOSA-N 0 3 360.418 -0.057 20 0 FBADHN Cc1cnnn1-c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000646606485 484098470 /nfs/dbraw/zinc/09/84/70/484098470.db2.gz QLHKEZGCQOAKJW-QGZVFWFLSA-N 0 3 360.418 -0.057 20 0 FBADHN Cc1cnnn1-c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000646612428 484102926 /nfs/dbraw/zinc/10/29/26/484102926.db2.gz QUTUDBLUXWPTLK-KRWDZBQOSA-N 0 3 358.402 -0.303 20 0 FBADHN Cc1cnnn1-c1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000646612429 484103203 /nfs/dbraw/zinc/10/32/03/484103203.db2.gz QUTUDBLUXWPTLK-QGZVFWFLSA-N 0 3 358.402 -0.303 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(-n2nncc2C)cc1 ZINC000646613054 484104207 /nfs/dbraw/zinc/10/42/07/484104207.db2.gz FRCMNXQISOWJEM-UHFFFAOYSA-N 0 3 360.418 -0.055 20 0 FBADHN CN(CC(=O)NCCCNCc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000646618151 484106919 /nfs/dbraw/zinc/10/69/19/484106919.db2.gz DGODBHBOVZPCRH-HNNXBMFYSA-N 0 3 354.476 -0.204 20 0 FBADHN CN(CC(=O)NCCCNCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000646618153 484106617 /nfs/dbraw/zinc/10/66/17/484106617.db2.gz DGODBHBOVZPCRH-OAHLLOKOSA-N 0 3 354.476 -0.204 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC000646620443 484108121 /nfs/dbraw/zinc/10/81/21/484108121.db2.gz WDHDSZZDJOORFC-UHFFFAOYSA-N 0 3 361.450 -0.141 20 0 FBADHN Cn1nnc2cc(NC(=O)C(=O)NC[C@H]3CCCN3CCCO)ccc21 ZINC000646647709 484134762 /nfs/dbraw/zinc/13/47/62/484134762.db2.gz BAXSQAKLAGMUGF-CYBMUJFWSA-N 0 3 360.418 -0.130 20 0 FBADHN Cn1nnc2cc(NC(=O)C(=O)NC[C@@H]3CCCN3CCCO)ccc21 ZINC000646647710 484135244 /nfs/dbraw/zinc/13/52/44/484135244.db2.gz BAXSQAKLAGMUGF-ZDUSSCGKSA-N 0 3 360.418 -0.130 20 0 FBADHN CN(C)S(=O)(=O)NCC(=O)NCCCN1CCc2ccccc2C1 ZINC000646654712 484140989 /nfs/dbraw/zinc/14/09/89/484140989.db2.gz QQTMPNAAFUXCEQ-UHFFFAOYSA-N 0 3 354.476 -0.053 20 0 FBADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000646665700 484154460 /nfs/dbraw/zinc/15/44/60/484154460.db2.gz JXAFNBYGZNKDSQ-INIZCTEOSA-N 0 3 373.457 -0.091 20 0 FBADHN CCN1CCN(CCCNC(=O)c2nc(S(C)(=O)=O)ncc2C)CC1 ZINC000646670531 484168808 /nfs/dbraw/zinc/16/88/08/484168808.db2.gz IYBAFSRABFXYDF-UHFFFAOYSA-N 0 3 369.491 -0.054 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646670837 484169294 /nfs/dbraw/zinc/16/92/94/484169294.db2.gz XPDYIUIUIIGHBD-AWEZNQCLSA-N 0 3 361.512 -0.954 20 0 FBADHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646670838 484168852 /nfs/dbraw/zinc/16/88/52/484168852.db2.gz XPDYIUIUIIGHBD-CQSZACIVSA-N 0 3 361.512 -0.954 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCCC1 ZINC000646672537 484173498 /nfs/dbraw/zinc/17/34/98/484173498.db2.gz UEIFJSMIVLRKHC-UHFFFAOYSA-N 0 3 356.448 -0.154 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)cn1 ZINC000646680797 484183492 /nfs/dbraw/zinc/18/34/92/484183492.db2.gz CGCDOZNFSBPARC-CYBMUJFWSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)cn1 ZINC000646680798 484183410 /nfs/dbraw/zinc/18/34/10/484183410.db2.gz CGCDOZNFSBPARC-ZDUSSCGKSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)n1 ZINC000646680829 484101782 /nfs/dbraw/zinc/10/17/82/484101782.db2.gz FQDZIRHWONXRMX-GFCCVEGCSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)n1 ZINC000646680830 484102876 /nfs/dbraw/zinc/10/28/76/484102876.db2.gz FQDZIRHWONXRMX-LBPRGKRZSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)CNS(=O)(=O)N(C)C)cc1 ZINC000646687317 484192367 /nfs/dbraw/zinc/19/23/67/484192367.db2.gz ABTALJBBDKPSPC-UHFFFAOYSA-N 0 3 358.464 -0.361 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC000646687514 484192441 /nfs/dbraw/zinc/19/24/41/484192441.db2.gz NOBNLAPLQUXPHM-BRWVUGGUSA-N 0 3 350.415 -0.344 20 0 FBADHN CN(C)CCOc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC000646687649 484192317 /nfs/dbraw/zinc/19/23/17/484192317.db2.gz VYOZBWLGRVHGOT-BRWVUGGUSA-N 0 3 350.415 -0.344 20 0 FBADHN CN(C)CCOc1cccc(CNC(=O)CNS(=O)(=O)N(C)C)c1 ZINC000646687679 484192423 /nfs/dbraw/zinc/19/24/23/484192423.db2.gz XSLCRLLFKGGSME-UHFFFAOYSA-N 0 3 358.464 -0.361 20 0 FBADHN C[C@H](CNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)CN1CCCC1 ZINC000646690205 484196314 /nfs/dbraw/zinc/19/63/14/484196314.db2.gz PJCHLXAEPXWHTN-LLVKDONJSA-N 0 3 356.448 -0.297 20 0 FBADHN C[C@@H](CNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)CN1CCCC1 ZINC000646690206 484195707 /nfs/dbraw/zinc/19/57/07/484195707.db2.gz PJCHLXAEPXWHTN-NSHDSACASA-N 0 3 356.448 -0.297 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1CCN(CC2CC2)CC1 ZINC000646690808 484197520 /nfs/dbraw/zinc/19/75/20/484197520.db2.gz VDDAHGABOMGWEH-UHFFFAOYSA-N 0 3 368.459 -0.154 20 0 FBADHN CCCN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CCN(C)C1 ZINC000646765885 484300432 /nfs/dbraw/zinc/30/04/32/484300432.db2.gz OOKLRZNVSMDMTQ-AWEZNQCLSA-N 0 3 350.467 0.326 20 0 FBADHN CCCN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CCN(C)C1 ZINC000646765886 484300407 /nfs/dbraw/zinc/30/04/07/484300407.db2.gz OOKLRZNVSMDMTQ-CQSZACIVSA-N 0 3 350.467 0.326 20 0 FBADHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C1 ZINC000646791514 484236376 /nfs/dbraw/zinc/23/63/76/484236376.db2.gz VWIGCZHTTHBFJM-JSGCOSHPSA-N 0 3 373.413 -0.080 20 0 FBADHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C1 ZINC000646791515 484235775 /nfs/dbraw/zinc/23/57/75/484235775.db2.gz VWIGCZHTTHBFJM-OCCSQVGLSA-N 0 3 373.413 -0.080 20 0 FBADHN CCn1c2ccccc2n(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)c1=O ZINC000646800901 484236767 /nfs/dbraw/zinc/23/67/67/484236767.db2.gz IZYCUODDYHGQRW-UHFFFAOYSA-N 0 3 370.417 -0.011 20 0 FBADHN Cc1ccc2ncc(C(=O)Nc3nc(N4CCNCC4)n[nH]3)c(=O)n2c1 ZINC000646800919 484238094 /nfs/dbraw/zinc/23/80/94/484238094.db2.gz OPLUZDRMRLRVFS-UHFFFAOYSA-N 0 3 354.374 -0.217 20 0 FBADHN Cc1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)ccc1-n1cnnn1 ZINC000646800933 484238058 /nfs/dbraw/zinc/23/80/58/484238058.db2.gz QVUPGARTCAOHDO-UHFFFAOYSA-N 0 3 354.378 -0.249 20 0 FBADHN C[C@H]1Oc2ccccc2N(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)C1=O ZINC000646800938 484237494 /nfs/dbraw/zinc/23/74/94/484237494.db2.gz RFSGZGFQSZCAAT-LLVKDONJSA-N 0 3 371.401 -0.033 20 0 FBADHN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)C1=O ZINC000646800939 484238071 /nfs/dbraw/zinc/23/80/71/484238071.db2.gz RFSGZGFQSZCAAT-NSHDSACASA-N 0 3 371.401 -0.033 20 0 FBADHN CN1C(=O)c2ccc(C(=O)Nc3nc(N4CCNCC4)n[nH]3)cc2C1=O ZINC000646800954 484237324 /nfs/dbraw/zinc/23/73/24/484237324.db2.gz WOHUTUVOKRFBJH-UHFFFAOYSA-N 0 3 355.358 -0.308 20 0 FBADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000646800962 484237435 /nfs/dbraw/zinc/23/74/35/484237435.db2.gz ZGHBHVXAWYAIDW-GFCCVEGCSA-N 0 3 370.417 -0.404 20 0 FBADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000646800963 484237827 /nfs/dbraw/zinc/23/78/27/484237827.db2.gz ZGHBHVXAWYAIDW-LBPRGKRZSA-N 0 3 370.417 -0.404 20 0 FBADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646801485 484239510 /nfs/dbraw/zinc/23/95/10/484239510.db2.gz MEGMPGKQHSKEQE-UHFFFAOYSA-N 0 3 365.419 -0.578 20 0 FBADHN CS(=O)(=O)c1ccccc1CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646801516 484239152 /nfs/dbraw/zinc/23/91/52/484239152.db2.gz VISXEXMGXRFDEE-UHFFFAOYSA-N 0 3 364.431 -0.201 20 0 FBADHN O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646801521 484239268 /nfs/dbraw/zinc/23/92/68/484239268.db2.gz XEHRIDPUGBHPNX-UHFFFAOYSA-N 0 3 370.373 -0.330 20 0 FBADHN O=C(CCn1nc2ccccn2c1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646802773 484242425 /nfs/dbraw/zinc/24/24/25/484242425.db2.gz DJNNXFBSXHBXAR-UHFFFAOYSA-N 0 3 357.378 -0.948 20 0 FBADHN CN(C)CCOC1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646813038 484268827 /nfs/dbraw/zinc/26/88/27/484268827.db2.gz OJRIPEJXGCRAFU-CYBMUJFWSA-N 0 3 362.496 -0.529 20 0 FBADHN CN(C)CCOC1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646813039 484268245 /nfs/dbraw/zinc/26/82/45/484268245.db2.gz OJRIPEJXGCRAFU-ZDUSSCGKSA-N 0 3 362.496 -0.529 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000646818613 484271983 /nfs/dbraw/zinc/27/19/83/484271983.db2.gz ACOUYMDSVACQDL-LLVKDONJSA-N 0 3 362.434 -0.186 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000646818614 484271857 /nfs/dbraw/zinc/27/18/57/484271857.db2.gz ACOUYMDSVACQDL-NSHDSACASA-N 0 3 362.434 -0.186 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000646818639 484271216 /nfs/dbraw/zinc/27/12/16/484271216.db2.gz AOOJGAKDUZVOJQ-LLVKDONJSA-N 0 3 362.386 -0.068 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000646818640 484271458 /nfs/dbraw/zinc/27/14/58/484271458.db2.gz AOOJGAKDUZVOJQ-NSHDSACASA-N 0 3 362.386 -0.068 20 0 FBADHN COc1cncnc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646818707 484272086 /nfs/dbraw/zinc/27/20/86/484272086.db2.gz BMYGTYIUYMKPMH-JTQLQIEISA-N 0 3 350.379 -0.998 20 0 FBADHN COc1cncnc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646818708 484271701 /nfs/dbraw/zinc/27/17/01/484271701.db2.gz BMYGTYIUYMKPMH-SNVBAGLBSA-N 0 3 350.379 -0.998 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(C)n1 ZINC000646818721 484271238 /nfs/dbraw/zinc/27/12/38/484271238.db2.gz BSKMSEMJKAZFMV-GFCCVEGCSA-N 0 3 363.418 -0.084 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(C)n1 ZINC000646818722 484271582 /nfs/dbraw/zinc/27/15/82/484271582.db2.gz BSKMSEMJKAZFMV-LBPRGKRZSA-N 0 3 363.418 -0.084 20 0 FBADHN CCCc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n(C)n1 ZINC000646818729 484271086 /nfs/dbraw/zinc/27/10/86/484271086.db2.gz BVEZOQXBXBMWKW-GFCCVEGCSA-N 0 3 364.450 -0.111 20 0 FBADHN CCCc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n(C)n1 ZINC000646818730 484271439 /nfs/dbraw/zinc/27/14/39/484271439.db2.gz BVEZOQXBXBMWKW-LBPRGKRZSA-N 0 3 364.450 -0.111 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000646818777 484272040 /nfs/dbraw/zinc/27/20/40/484272040.db2.gz CYVQAIOOKAUFNU-LLVKDONJSA-N 0 3 363.422 -0.941 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000646818778 484271323 /nfs/dbraw/zinc/27/13/23/484271323.db2.gz CYVQAIOOKAUFNU-NSHDSACASA-N 0 3 363.422 -0.941 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000646818909 484271427 /nfs/dbraw/zinc/27/14/27/484271427.db2.gz FBDHXBMRYALWDO-GFCCVEGCSA-N 0 3 358.402 -0.149 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000646818910 484271614 /nfs/dbraw/zinc/27/16/14/484271614.db2.gz FBDHXBMRYALWDO-LBPRGKRZSA-N 0 3 358.402 -0.149 20 0 FBADHN CCc1nn(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646818913 484271944 /nfs/dbraw/zinc/27/19/44/484271944.db2.gz FFOBFSINLFUPHW-LLVKDONJSA-N 0 3 350.423 -0.501 20 0 FBADHN CCc1nn(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646818914 484271685 /nfs/dbraw/zinc/27/16/85/484271685.db2.gz FFOBFSINLFUPHW-NSHDSACASA-N 0 3 350.423 -0.501 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000646818915 484485758 /nfs/dbraw/zinc/48/57/58/484485758.db2.gz FGTGBVBTRPMKQU-GFCCVEGCSA-N 0 3 362.434 -0.264 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000646818916 484144151 /nfs/dbraw/zinc/14/41/51/484144151.db2.gz FGTGBVBTRPMKQU-LBPRGKRZSA-N 0 3 362.434 -0.264 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000646818983 484486387 /nfs/dbraw/zinc/48/63/87/484486387.db2.gz GSNGLSVDFCPRRC-LLVKDONJSA-N 0 3 360.418 -0.129 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000646818984 484144559 /nfs/dbraw/zinc/14/45/59/484144559.db2.gz GSNGLSVDFCPRRC-NSHDSACASA-N 0 3 360.418 -0.129 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000646818991 484271815 /nfs/dbraw/zinc/27/18/15/484271815.db2.gz HAKGTTQQSHVXHZ-LLVKDONJSA-N 0 3 363.422 -0.941 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000646818992 484272056 /nfs/dbraw/zinc/27/20/56/484272056.db2.gz HAKGTTQQSHVXHZ-NSHDSACASA-N 0 3 363.422 -0.941 20 0 FBADHN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646818999 484271775 /nfs/dbraw/zinc/27/17/75/484271775.db2.gz HKXLQKWUNVURLT-GFCCVEGCSA-N 0 3 363.418 -0.789 20 0 FBADHN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646819000 484271593 /nfs/dbraw/zinc/27/15/93/484271593.db2.gz HKXLQKWUNVURLT-LBPRGKRZSA-N 0 3 363.418 -0.789 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000646819084 484272013 /nfs/dbraw/zinc/27/20/13/484272013.db2.gz HPEMIDRYTHOOAJ-JTQLQIEISA-N 0 3 372.376 -0.335 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000646819087 484271388 /nfs/dbraw/zinc/27/13/88/484271388.db2.gz HPEMIDRYTHOOAJ-SNVBAGLBSA-N 0 3 372.376 -0.335 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC000646819092 484271060 /nfs/dbraw/zinc/27/10/60/484271060.db2.gz HRDZNWALVVGHMQ-LLVKDONJSA-N 0 3 363.422 -0.941 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC000646819093 484271936 /nfs/dbraw/zinc/27/19/36/484271936.db2.gz HRDZNWALVVGHMQ-NSHDSACASA-N 0 3 363.422 -0.941 20 0 FBADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646819321 484271231 /nfs/dbraw/zinc/27/12/31/484271231.db2.gz JSPUAELLNGDCTB-GFCCVEGCSA-N 0 3 363.418 -0.789 20 0 FBADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646819322 484271736 /nfs/dbraw/zinc/27/17/36/484271736.db2.gz JSPUAELLNGDCTB-LBPRGKRZSA-N 0 3 363.418 -0.789 20 0 FBADHN COCc1cnc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC000646819365 484271895 /nfs/dbraw/zinc/27/18/95/484271895.db2.gz KTLPHPXECVXHIB-JTQLQIEISA-N 0 3 369.447 -0.194 20 0 FBADHN COCc1cnc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC000646819368 484271527 /nfs/dbraw/zinc/27/15/27/484271527.db2.gz KTLPHPXECVXHIB-SNVBAGLBSA-N 0 3 369.447 -0.194 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000646819385 484272024 /nfs/dbraw/zinc/27/20/24/484272024.db2.gz LBWQOEDLYGJEGK-GFCCVEGCSA-N 0 3 374.445 -0.054 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000646819386 484272070 /nfs/dbraw/zinc/27/20/70/484272070.db2.gz LBWQOEDLYGJEGK-LBPRGKRZSA-N 0 3 374.445 -0.054 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC000646819387 484271335 /nfs/dbraw/zinc/27/13/35/484271335.db2.gz LCLOKKLHMNUGTF-SECBINFHSA-N 0 3 372.376 -0.125 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC000646819388 484271826 /nfs/dbraw/zinc/27/18/26/484271826.db2.gz LCLOKKLHMNUGTF-VIFPVBQESA-N 0 3 372.376 -0.125 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000646819542 484271309 /nfs/dbraw/zinc/27/13/09/484271309.db2.gz MHCVRONGWMSLRH-GFCCVEGCSA-N 0 3 358.402 -0.149 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000646819543 484273377 /nfs/dbraw/zinc/27/33/77/484273377.db2.gz MHCVRONGWMSLRH-LBPRGKRZSA-N 0 3 358.402 -0.149 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000646819650 484272855 /nfs/dbraw/zinc/27/28/55/484272855.db2.gz NCYZLVLMQXTFNH-LLVKDONJSA-N 0 3 359.390 -0.754 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000646819652 484273449 /nfs/dbraw/zinc/27/34/49/484273449.db2.gz NCYZLVLMQXTFNH-NSHDSACASA-N 0 3 359.390 -0.754 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ncn1 ZINC000646819713 484272519 /nfs/dbraw/zinc/27/25/19/484272519.db2.gz OBNBRMLPSWUJIB-JTQLQIEISA-N 0 3 350.379 -0.998 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ncn1 ZINC000646819714 484273607 /nfs/dbraw/zinc/27/36/07/484273607.db2.gz OBNBRMLPSWUJIB-SNVBAGLBSA-N 0 3 350.379 -0.998 20 0 FBADHN Cc1nc2ccc(NC(=O)C(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)cn2n1 ZINC000646819902 484272603 /nfs/dbraw/zinc/27/26/03/484272603.db2.gz QDKGHLMNFOARAN-LLVKDONJSA-N 0 3 373.417 -0.445 20 0 FBADHN Cc1nc2ccc(NC(=O)C(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)cn2n1 ZINC000646819903 484273561 /nfs/dbraw/zinc/27/35/61/484273561.db2.gz QDKGHLMNFOARAN-NSHDSACASA-N 0 3 373.417 -0.445 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000646819912 484273336 /nfs/dbraw/zinc/27/33/36/484273336.db2.gz QKZREAIVPWCUQI-LLVKDONJSA-N 0 3 362.434 -0.574 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000646819913 484273062 /nfs/dbraw/zinc/27/30/62/484273062.db2.gz QKZREAIVPWCUQI-NSHDSACASA-N 0 3 362.434 -0.574 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cn(C)c1=O ZINC000646819918 484273264 /nfs/dbraw/zinc/27/32/64/484273264.db2.gz QMGYXAACGNAEGZ-GFCCVEGCSA-N 0 3 363.418 -0.789 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cn(C)c1=O ZINC000646819919 484272767 /nfs/dbraw/zinc/27/27/67/484272767.db2.gz QMGYXAACGNAEGZ-LBPRGKRZSA-N 0 3 363.418 -0.789 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000646819954 484273096 /nfs/dbraw/zinc/27/30/96/484273096.db2.gz RKHYUMWXTZAOHF-LLVKDONJSA-N 0 3 373.413 -0.553 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000646819955 484273409 /nfs/dbraw/zinc/27/34/09/484273409.db2.gz RKHYUMWXTZAOHF-NSHDSACASA-N 0 3 373.413 -0.553 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC000646819956 484273397 /nfs/dbraw/zinc/27/33/97/484273397.db2.gz RKTKXPISCIMRDB-LLVKDONJSA-N 0 3 373.417 -0.515 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC000646819957 484273150 /nfs/dbraw/zinc/27/31/50/484273150.db2.gz RKTKXPISCIMRDB-NSHDSACASA-N 0 3 373.417 -0.515 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)nn1C(C)C ZINC000646820002 484253477 /nfs/dbraw/zinc/25/34/77/484253477.db2.gz SVVYGZUWJQFBFP-CYBMUJFWSA-N 0 3 364.450 0.289 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)nn1C(C)C ZINC000646820003 484253561 /nfs/dbraw/zinc/25/35/61/484253561.db2.gz SVVYGZUWJQFBFP-ZDUSSCGKSA-N 0 3 364.450 0.289 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000646820038 484485591 /nfs/dbraw/zinc/48/55/91/484485591.db2.gz UKFULZNCUUVTPQ-LLVKDONJSA-N 0 3 362.434 -0.186 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000646820039 484144916 /nfs/dbraw/zinc/14/49/16/484144916.db2.gz UKFULZNCUUVTPQ-NSHDSACASA-N 0 3 362.434 -0.186 20 0 FBADHN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646820084 484272916 /nfs/dbraw/zinc/27/29/16/484272916.db2.gz VIYBNODASMNSJK-GFCCVEGCSA-N 0 3 350.423 -0.446 20 0 FBADHN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646820085 484273199 /nfs/dbraw/zinc/27/31/99/484273199.db2.gz VIYBNODASMNSJK-LBPRGKRZSA-N 0 3 350.423 -0.446 20 0 FBADHN Cc1nn(C)c(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1C ZINC000646820110 484273208 /nfs/dbraw/zinc/27/32/08/484273208.db2.gz VSUUKPWFKWMTCH-GFCCVEGCSA-N 0 3 350.423 -0.446 20 0 FBADHN Cc1nn(C)c(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1C ZINC000646820111 484272679 /nfs/dbraw/zinc/27/26/79/484272679.db2.gz VSUUKPWFKWMTCH-LBPRGKRZSA-N 0 3 350.423 -0.446 20 0 FBADHN CCCn1nccc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646820128 484273319 /nfs/dbraw/zinc/27/33/19/484273319.db2.gz WEGMEWJRZGISNR-GFCCVEGCSA-N 0 3 350.423 -0.190 20 0 FBADHN CCCn1nccc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646820129 484273233 /nfs/dbraw/zinc/27/32/33/484273233.db2.gz WEGMEWJRZGISNR-LBPRGKRZSA-N 0 3 350.423 -0.190 20 0 FBADHN CC(C)n1ccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000646820228 484248310 /nfs/dbraw/zinc/24/83/10/484248310.db2.gz XOFFDJLXKGEPNM-GFCCVEGCSA-N 0 3 350.423 -0.019 20 0 FBADHN CC(C)n1ccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000646820229 484247974 /nfs/dbraw/zinc/24/79/74/484247974.db2.gz XOFFDJLXKGEPNM-LBPRGKRZSA-N 0 3 350.423 -0.019 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000646820240 484273633 /nfs/dbraw/zinc/27/36/33/484273633.db2.gz XVKSMCRHWCOEED-GFCCVEGCSA-N 0 3 362.434 -0.190 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000646820241 484273620 /nfs/dbraw/zinc/27/36/20/484273620.db2.gz XVKSMCRHWCOEED-LBPRGKRZSA-N 0 3 362.434 -0.190 20 0 FBADHN COc1cnc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC000646820264 484272750 /nfs/dbraw/zinc/27/27/50/484272750.db2.gz YEOKVXMYFQMACE-SECBINFHSA-N 0 3 355.420 -0.331 20 0 FBADHN COc1cnc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC000646820265 484273477 /nfs/dbraw/zinc/27/34/77/484273477.db2.gz YEOKVXMYFQMACE-VIFPVBQESA-N 0 3 355.420 -0.331 20 0 FBADHN COCc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ncn1 ZINC000646820270 484273386 /nfs/dbraw/zinc/27/33/86/484273386.db2.gz YGJSFGNHNOKGFE-LLVKDONJSA-N 0 3 364.406 -0.860 20 0 FBADHN COCc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ncn1 ZINC000646820271 484273349 /nfs/dbraw/zinc/27/33/49/484273349.db2.gz YGJSFGNHNOKGFE-NSHDSACASA-N 0 3 364.406 -0.860 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(=O)n(C)c1 ZINC000646820370 484273535 /nfs/dbraw/zinc/27/35/35/484273535.db2.gz ZNAXQUPZTLIIDU-GFCCVEGCSA-N 0 3 363.418 -0.789 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(=O)n(C)c1 ZINC000646820371 484272900 /nfs/dbraw/zinc/27/29/00/484272900.db2.gz ZNAXQUPZTLIIDU-LBPRGKRZSA-N 0 3 363.418 -0.789 20 0 FBADHN CCn1cccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1=O ZINC000646820384 484274989 /nfs/dbraw/zinc/27/49/89/484274989.db2.gz ZUZWHXHINOQZHR-GFCCVEGCSA-N 0 3 363.418 -0.615 20 0 FBADHN CCn1cccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1=O ZINC000646820385 484274753 /nfs/dbraw/zinc/27/47/53/484274753.db2.gz ZUZWHXHINOQZHR-LBPRGKRZSA-N 0 3 363.418 -0.615 20 0 FBADHN COc1ncncc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646820386 484274884 /nfs/dbraw/zinc/27/48/84/484274884.db2.gz ZVRLUFCQGJSVDO-JTQLQIEISA-N 0 3 350.379 -0.998 20 0 FBADHN COc1ncncc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646820387 484274786 /nfs/dbraw/zinc/27/47/86/484274786.db2.gz ZVRLUFCQGJSVDO-SNVBAGLBSA-N 0 3 350.379 -0.998 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000646820907 484275008 /nfs/dbraw/zinc/27/50/08/484275008.db2.gz AJAXKVONPPWUBZ-GFCCVEGCSA-N 0 3 362.434 -0.336 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000646820908 484274582 /nfs/dbraw/zinc/27/45/82/484274582.db2.gz AJAXKVONPPWUBZ-LBPRGKRZSA-N 0 3 362.434 -0.336 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000646821009 484274405 /nfs/dbraw/zinc/27/44/05/484274405.db2.gz DAXWUMPSNRDMES-LLVKDONJSA-N 0 3 362.386 -0.068 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000646821010 484274254 /nfs/dbraw/zinc/27/42/54/484274254.db2.gz DAXWUMPSNRDMES-NSHDSACASA-N 0 3 362.386 -0.068 20 0 FBADHN CCc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n(C)n1 ZINC000646821031 484275017 /nfs/dbraw/zinc/27/50/17/484275017.db2.gz DMOOAEFZVVPSRE-LLVKDONJSA-N 0 3 350.423 -0.501 20 0 FBADHN CCc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n(C)n1 ZINC000646821032 484275069 /nfs/dbraw/zinc/27/50/69/484275069.db2.gz DMOOAEFZVVPSRE-NSHDSACASA-N 0 3 350.423 -0.501 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000646821053 484274180 /nfs/dbraw/zinc/27/41/80/484274180.db2.gz FFDHOSQRWYNNKA-LLVKDONJSA-N 0 3 373.413 -0.302 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000646821054 484274730 /nfs/dbraw/zinc/27/47/30/484274730.db2.gz FFDHOSQRWYNNKA-NSHDSACASA-N 0 3 373.413 -0.302 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000646821081 484274912 /nfs/dbraw/zinc/27/49/12/484274912.db2.gz GAYPALYMCOVNBC-LLVKDONJSA-N 0 3 360.418 -0.129 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000646821082 484275115 /nfs/dbraw/zinc/27/51/15/484275115.db2.gz GAYPALYMCOVNBC-NSHDSACASA-N 0 3 360.418 -0.129 20 0 FBADHN CC(C)n1nccc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646821188 484274284 /nfs/dbraw/zinc/27/42/84/484274284.db2.gz HXTLTFXFVDIETB-GFCCVEGCSA-N 0 3 350.423 -0.019 20 0 FBADHN CC(C)n1nccc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646821189 484274960 /nfs/dbraw/zinc/27/49/60/484274960.db2.gz HXTLTFXFVDIETB-LBPRGKRZSA-N 0 3 350.423 -0.019 20 0 FBADHN COCCn1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cn1 ZINC000646821195 484276702 /nfs/dbraw/zinc/27/67/02/484276702.db2.gz IHLBYTDFYIHTLD-GFCCVEGCSA-N 0 3 366.422 -0.954 20 0 FBADHN COCCn1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cn1 ZINC000646821199 484276472 /nfs/dbraw/zinc/27/64/72/484276472.db2.gz IHLBYTDFYIHTLD-LBPRGKRZSA-N 0 3 366.422 -0.954 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000646821716 484145061 /nfs/dbraw/zinc/14/50/61/484145061.db2.gz OKEGJXSTPYOYOJ-JTQLQIEISA-N 0 3 372.376 -0.335 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000646821721 484486190 /nfs/dbraw/zinc/48/61/90/484486190.db2.gz OKEGJXSTPYOYOJ-SNVBAGLBSA-N 0 3 372.376 -0.335 20 0 FBADHN CCOc1ncccc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646822169 484273330 /nfs/dbraw/zinc/27/33/30/484273330.db2.gz VDJPAUIUNNTZSX-GFCCVEGCSA-N 0 3 363.418 -0.003 20 0 FBADHN CCOc1ncccc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646822170 484272943 /nfs/dbraw/zinc/27/29/43/484272943.db2.gz VDJPAUIUNNTZSX-LBPRGKRZSA-N 0 3 363.418 -0.003 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000646822179 484273300 /nfs/dbraw/zinc/27/33/00/484273300.db2.gz VKFJYVNPYSEMAB-LLVKDONJSA-N 0 3 361.402 -0.698 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000646822180 484273641 /nfs/dbraw/zinc/27/36/41/484273641.db2.gz VKFJYVNPYSEMAB-NSHDSACASA-N 0 3 361.402 -0.698 20 0 FBADHN COCc1csc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000646822335 484276333 /nfs/dbraw/zinc/27/63/33/484276333.db2.gz WRMSHFYUBHLGDC-JTQLQIEISA-N 0 3 369.447 -0.194 20 0 FBADHN COCc1csc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000646822336 484275598 /nfs/dbraw/zinc/27/55/98/484275598.db2.gz WRMSHFYUBHLGDC-SNVBAGLBSA-N 0 3 369.447 -0.194 20 0 FBADHN COc1ncc(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000646822345 484276612 /nfs/dbraw/zinc/27/66/12/484276612.db2.gz WWQLASDPPYDPQF-GFCCVEGCSA-N 0 3 363.418 -0.084 20 0 FBADHN COc1ncc(C)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000646822346 484275880 /nfs/dbraw/zinc/27/58/80/484275880.db2.gz WWQLASDPPYDPQF-LBPRGKRZSA-N 0 3 363.418 -0.084 20 0 FBADHN CCn1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1=O ZINC000646822347 484275672 /nfs/dbraw/zinc/27/56/72/484275672.db2.gz WWYGLZRIIRMLQS-GFCCVEGCSA-N 0 3 363.418 -0.615 20 0 FBADHN CCn1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1=O ZINC000646822348 484276575 /nfs/dbraw/zinc/27/65/75/484276575.db2.gz WWYGLZRIIRMLQS-LBPRGKRZSA-N 0 3 363.418 -0.615 20 0 FBADHN CC(C)n1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cn1 ZINC000646822443 484275702 /nfs/dbraw/zinc/27/57/02/484275702.db2.gz YIBBNCVSCIVRNI-GFCCVEGCSA-N 0 3 350.423 -0.019 20 0 FBADHN CC(C)n1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cn1 ZINC000646822444 484275542 /nfs/dbraw/zinc/27/55/42/484275542.db2.gz YIBBNCVSCIVRNI-LBPRGKRZSA-N 0 3 350.423 -0.019 20 0 FBADHN CC(C)c1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)no1 ZINC000646822479 484230083 /nfs/dbraw/zinc/23/00/83/484230083.db2.gz ZIIUHIVJUJTDFK-LLVKDONJSA-N 0 3 351.407 0.315 20 0 FBADHN CC(C)c1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)no1 ZINC000646822480 484229278 /nfs/dbraw/zinc/22/92/78/484229278.db2.gz ZIIUHIVJUJTDFK-NSHDSACASA-N 0 3 351.407 0.315 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646833166 484284075 /nfs/dbraw/zinc/28/40/75/484284075.db2.gz JOIUNCGWAQNIBX-NWDGAFQWSA-N 0 3 358.439 -0.406 20 0 FBADHN CN1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H](CN)C1 ZINC000646833173 484283878 /nfs/dbraw/zinc/28/38/78/484283878.db2.gz LKVKKBNXSXWGQJ-INIZCTEOSA-N 0 3 374.489 -0.388 20 0 FBADHN CN1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)[C@H](CN)C1 ZINC000646833174 484283960 /nfs/dbraw/zinc/28/39/60/484283960.db2.gz LKVKKBNXSXWGQJ-MRXNPFEDSA-N 0 3 374.489 -0.388 20 0 FBADHN CN1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)[C@@H](CN)C1 ZINC000646835306 484284170 /nfs/dbraw/zinc/28/41/70/484284170.db2.gz AFXTVGUQFKDQIO-PWNZVWSESA-N 0 3 355.508 -0.187 20 0 FBADHN CN1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)[C@H](CN)C1 ZINC000646835307 484284704 /nfs/dbraw/zinc/28/47/04/484284704.db2.gz AFXTVGUQFKDQIO-UKTARXLSSA-N 0 3 355.508 -0.187 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646835388 484284899 /nfs/dbraw/zinc/28/48/99/484284899.db2.gz TVXLTSXFRNPLJF-CMPLNLGQSA-N 0 3 359.452 -0.940 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000646835389 484283786 /nfs/dbraw/zinc/28/37/86/484283786.db2.gz TVXLTSXFRNPLJF-JQWIXIFHSA-N 0 3 359.452 -0.940 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000646835390 484285014 /nfs/dbraw/zinc/28/50/14/484285014.db2.gz TVXLTSXFRNPLJF-PWSUYJOCSA-N 0 3 359.452 -0.940 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646835391 484284427 /nfs/dbraw/zinc/28/44/27/484284427.db2.gz TVXLTSXFRNPLJF-ZYHUDNBSSA-N 0 3 359.452 -0.940 20 0 FBADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(C)C[C@@H]1CN)C2=O ZINC000646835480 484286690 /nfs/dbraw/zinc/28/66/90/484286690.db2.gz NTSAHCDOUKMUFY-IGCXYCKISA-N 0 3 351.451 -0.412 20 0 FBADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(C)C[C@@H]1CN)C2=O ZINC000646835481 484285866 /nfs/dbraw/zinc/28/58/66/484285866.db2.gz NTSAHCDOUKMUFY-IIYDPXPESA-N 0 3 351.451 -0.412 20 0 FBADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(C)C[C@H]1CN)C2=O ZINC000646835482 484286122 /nfs/dbraw/zinc/28/61/22/484286122.db2.gz NTSAHCDOUKMUFY-PBFPGSCMSA-N 0 3 351.451 -0.412 20 0 FBADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(C)C[C@H]1CN)C2=O ZINC000646835483 484286315 /nfs/dbraw/zinc/28/63/15/484286315.db2.gz NTSAHCDOUKMUFY-XNJGSVPQSA-N 0 3 351.451 -0.412 20 0 FBADHN COc1ccc(C(=O)NCC(=O)N2CCN(C)C[C@H]2CN)cc1OC ZINC000646835548 484287325 /nfs/dbraw/zinc/28/73/25/484287325.db2.gz CJJRRSFYGYJQPB-CYBMUJFWSA-N 0 3 350.419 -0.465 20 0 FBADHN COc1ccc(C(=O)NCC(=O)N2CCN(C)C[C@@H]2CN)cc1OC ZINC000646835549 484288616 /nfs/dbraw/zinc/28/86/16/484288616.db2.gz CJJRRSFYGYJQPB-ZDUSSCGKSA-N 0 3 350.419 -0.465 20 0 FBADHN CN1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)[C@@H](CN)C1 ZINC000646835556 484288355 /nfs/dbraw/zinc/28/83/55/484288355.db2.gz GQLHHADBQPNZGI-HNNXBMFYSA-N 0 3 352.460 -0.059 20 0 FBADHN CN1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)[C@H](CN)C1 ZINC000646835557 484288622 /nfs/dbraw/zinc/28/86/22/484288622.db2.gz GQLHHADBQPNZGI-OAHLLOKOSA-N 0 3 352.460 -0.059 20 0 FBADHN CN1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)[C@H](CN)C1 ZINC000646835580 484288148 /nfs/dbraw/zinc/28/81/48/484288148.db2.gz LQFAFOPDFPMKRJ-LLVKDONJSA-N 0 3 360.505 -0.445 20 0 FBADHN CN1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)[C@@H](CN)C1 ZINC000646835581 484288254 /nfs/dbraw/zinc/28/82/54/484288254.db2.gz LQFAFOPDFPMKRJ-NSHDSACASA-N 0 3 360.505 -0.445 20 0 FBADHN CN1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](CN)C1 ZINC000646835592 484287710 /nfs/dbraw/zinc/28/77/10/484287710.db2.gz MVFSIYHWFDZVBN-AWEZNQCLSA-N 0 3 352.460 -0.158 20 0 FBADHN CN1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](CN)C1 ZINC000646835593 484287201 /nfs/dbraw/zinc/28/72/01/484287201.db2.gz MVFSIYHWFDZVBN-CQSZACIVSA-N 0 3 352.460 -0.158 20 0 FBADHN CN1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@@H](CN)C1 ZINC000646835648 484287613 /nfs/dbraw/zinc/28/76/13/484287613.db2.gz YMGHNFNLQHUYKY-HNNXBMFYSA-N 0 3 354.476 -0.507 20 0 FBADHN CN1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)[C@H](CN)C1 ZINC000646835649 484287768 /nfs/dbraw/zinc/28/77/68/484287768.db2.gz YMGHNFNLQHUYKY-OAHLLOKOSA-N 0 3 354.476 -0.507 20 0 FBADHN CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)[C@H](CN)C1 ZINC000646836278 484290259 /nfs/dbraw/zinc/29/02/59/484290259.db2.gz DQIRUSNBTZBHFV-GFCCVEGCSA-N 0 3 372.447 -0.985 20 0 FBADHN CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)[C@@H](CN)C1 ZINC000646836279 484289730 /nfs/dbraw/zinc/28/97/30/484289730.db2.gz DQIRUSNBTZBHFV-LBPRGKRZSA-N 0 3 372.447 -0.985 20 0 FBADHN C[C@H](N)[C@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCO1 ZINC000646848429 484302127 /nfs/dbraw/zinc/30/21/27/484302127.db2.gz RERPGPAGKVDGJQ-CMPLNLGQSA-N 0 3 352.416 -0.074 20 0 FBADHN C[C@H](N)[C@@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCO1 ZINC000646848430 484301914 /nfs/dbraw/zinc/30/19/14/484301914.db2.gz RERPGPAGKVDGJQ-JQWIXIFHSA-N 0 3 352.416 -0.074 20 0 FBADHN C[C@@H](N)[C@@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCO1 ZINC000646848431 484301856 /nfs/dbraw/zinc/30/18/56/484301856.db2.gz RERPGPAGKVDGJQ-PWSUYJOCSA-N 0 3 352.416 -0.074 20 0 FBADHN C[C@@H](N)[C@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCO1 ZINC000646848432 484302561 /nfs/dbraw/zinc/30/25/61/484302561.db2.gz RERPGPAGKVDGJQ-ZYHUDNBSSA-N 0 3 352.416 -0.074 20 0 FBADHN C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000646850879 484302041 /nfs/dbraw/zinc/30/20/41/484302041.db2.gz LAKNHSLCLDNUPT-APPZFPTMSA-N 0 3 361.196 -0.714 20 0 FBADHN C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000646850880 484301829 /nfs/dbraw/zinc/30/18/29/484301829.db2.gz LAKNHSLCLDNUPT-CBAPKCEASA-N 0 3 361.196 -0.714 20 0 FBADHN C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000646850881 484302725 /nfs/dbraw/zinc/30/27/25/484302725.db2.gz LAKNHSLCLDNUPT-IONNQARKSA-N 0 3 361.196 -0.714 20 0 FBADHN C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000646850882 484302014 /nfs/dbraw/zinc/30/20/14/484302014.db2.gz LAKNHSLCLDNUPT-VXNVDRBHSA-N 0 3 361.196 -0.714 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646851327 484304142 /nfs/dbraw/zinc/30/41/42/484304142.db2.gz SRXHHLKQKBGYJH-HLUHBDAQSA-N 0 3 360.436 -0.467 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646851328 484303334 /nfs/dbraw/zinc/30/33/34/484303334.db2.gz SRXHHLKQKBGYJH-MKPLZMMCSA-N 0 3 360.436 -0.467 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646851329 484303965 /nfs/dbraw/zinc/30/39/65/484303965.db2.gz SRXHHLKQKBGYJH-UISBYWKRSA-N 0 3 360.436 -0.467 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646851330 484303535 /nfs/dbraw/zinc/30/35/35/484303535.db2.gz SRXHHLKQKBGYJH-XRNSZHNASA-N 0 3 360.436 -0.467 20 0 FBADHN C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000646862043 484305526 /nfs/dbraw/zinc/30/55/26/484305526.db2.gz UDLVGAAECWHYIT-ABAIWWIYSA-N 0 3 358.398 -0.168 20 0 FBADHN C[C@@H]([NH3+])[C@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000646862044 484305031 /nfs/dbraw/zinc/30/50/31/484305031.db2.gz UDLVGAAECWHYIT-IAQYHMDHSA-N 0 3 358.398 -0.168 20 0 FBADHN C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000646862045 484305644 /nfs/dbraw/zinc/30/56/44/484305644.db2.gz UDLVGAAECWHYIT-NHYWBVRUSA-N 0 3 358.398 -0.168 20 0 FBADHN C[C@H]([NH3+])[C@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000646862046 484305819 /nfs/dbraw/zinc/30/58/19/484305819.db2.gz UDLVGAAECWHYIT-XHDPSFHLSA-N 0 3 358.398 -0.168 20 0 FBADHN O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000646875411 483394830 /nfs/dbraw/zinc/39/48/30/483394830.db2.gz JCBSYFJDKQHAFX-HNNXBMFYSA-N 0 3 360.414 -0.142 20 0 FBADHN CCN(CC)[C@@H]1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)C1 ZINC000646880455 483406538 /nfs/dbraw/zinc/40/65/38/483406538.db2.gz PDUITMQGVNXSGK-LLVKDONJSA-N 0 3 356.448 -0.202 20 0 FBADHN CCN(CC)[C@H]1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)C1 ZINC000646880456 483406419 /nfs/dbraw/zinc/40/64/19/483406419.db2.gz PDUITMQGVNXSGK-NSHDSACASA-N 0 3 356.448 -0.202 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)C(=O)Nc1ccc3ncnn3c1)CCO2 ZINC000646888386 483425507 /nfs/dbraw/zinc/42/55/07/483425507.db2.gz BAHKGNXBEDXXTA-UHFFFAOYSA-N 0 3 358.402 -0.009 20 0 FBADHN CN(C)c1ncc(NC(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)cn1 ZINC000646888415 483424700 /nfs/dbraw/zinc/42/47/00/483424700.db2.gz DULGMAMAFZDTEM-UHFFFAOYSA-N 0 3 362.434 -0.196 20 0 FBADHN Cn1nc(NC(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)cc1C1CC1 ZINC000646888423 484094215 /nfs/dbraw/zinc/09/42/15/484094215.db2.gz FTJFOQJSSGMWGV-UHFFFAOYSA-N 0 3 361.446 0.559 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)cn(C)c1=O ZINC000646888424 483425102 /nfs/dbraw/zinc/42/51/02/483425102.db2.gz FTVNVYMSXBPYKK-UHFFFAOYSA-N 0 3 362.430 -0.045 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)C(=O)Nc1ncn(C(C)(C)C)n1)CCO2 ZINC000646888451 484140223 /nfs/dbraw/zinc/14/02/23/484140223.db2.gz HPJISNSTHBJIJP-UHFFFAOYSA-N 0 3 364.450 0.295 20 0 FBADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000646888458 483425208 /nfs/dbraw/zinc/42/52/08/483425208.db2.gz INPFVVATNGUXEQ-UHFFFAOYSA-N 0 3 362.430 -0.045 20 0 FBADHN COc1nn(C)cc1NC(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000646888525 483424841 /nfs/dbraw/zinc/42/48/41/483424841.db2.gz NLPWCYGHMLLERU-UHFFFAOYSA-N 0 3 351.407 -0.310 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)nn1C ZINC000646888575 483424855 /nfs/dbraw/zinc/42/48/55/483424855.db2.gz RGUAGNXBYDGSRM-UHFFFAOYSA-N 0 3 351.407 -0.310 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)C(=O)Nc1cc3n(n1)CCCC3)CCO2 ZINC000646888586 484139645 /nfs/dbraw/zinc/13/96/45/484139645.db2.gz SETJAHZYFTWOPJ-UHFFFAOYSA-N 0 3 361.446 0.481 20 0 FBADHN CN(C)c1cc(NC(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)ncn1 ZINC000646888642 483425633 /nfs/dbraw/zinc/42/56/33/483425633.db2.gz WZUDWBNXUMJQEF-UHFFFAOYSA-N 0 3 362.434 -0.196 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)c(=O)n(C)c1 ZINC000646889304 483426761 /nfs/dbraw/zinc/42/67/61/483426761.db2.gz IFFZHDMISOWKCE-UHFFFAOYSA-N 0 3 362.430 -0.045 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)CCO2 ZINC000646889349 484140704 /nfs/dbraw/zinc/14/07/04/484140704.db2.gz MDCRTAWDXPHWRZ-UHFFFAOYSA-N 0 3 371.388 0.410 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)C(=O)Nc1ccc(CC(N)=O)cc1)CCO2 ZINC000646890036 483426643 /nfs/dbraw/zinc/42/66/43/483426643.db2.gz BZRFONOFCGNXAO-UHFFFAOYSA-N 0 3 374.441 -0.024 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000646893421 483443857 /nfs/dbraw/zinc/44/38/57/483443857.db2.gz WPTITTZLRIZBOE-UHFFFAOYSA-N 0 3 350.485 -0.612 20 0 FBADHN COCCNCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000646909127 483527493 /nfs/dbraw/zinc/52/74/93/483527493.db2.gz DCCYIDFSJMQRNL-UHFFFAOYSA-N 0 3 374.463 -0.988 20 0 FBADHN COCCNCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000646909175 483527175 /nfs/dbraw/zinc/52/71/75/483527175.db2.gz FZLVTNJRJZSOMH-UHFFFAOYSA-N 0 3 361.420 -0.734 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)[C@@H]2C1 ZINC000646915085 483529887 /nfs/dbraw/zinc/52/98/87/483529887.db2.gz JNQMJYBFKHVNGX-AHIWAGSCSA-N 0 3 364.446 -0.236 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000646915086 483529899 /nfs/dbraw/zinc/52/98/99/483529899.db2.gz JNQMJYBFKHVNGX-DCGLDWPTSA-N 0 3 364.446 -0.236 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000646915087 483529591 /nfs/dbraw/zinc/52/95/91/483529591.db2.gz JNQMJYBFKHVNGX-GDZNZVCISA-N 0 3 364.446 -0.236 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)[C@@H]2C1 ZINC000646915088 483530073 /nfs/dbraw/zinc/53/00/73/483530073.db2.gz JNQMJYBFKHVNGX-OGHNNQOOSA-N 0 3 364.446 -0.236 20 0 FBADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)nc2c1c(=O)n(C)c(=O)n2C ZINC000646918257 483528463 /nfs/dbraw/zinc/52/84/63/483528463.db2.gz QNMBQFLTWGDUAE-AAEUAGOBSA-N 0 3 357.414 -0.283 20 0 FBADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)nc2c1c(=O)n(C)c(=O)n2C ZINC000646918258 483528878 /nfs/dbraw/zinc/52/88/78/483528878.db2.gz QNMBQFLTWGDUAE-DGCLKSJQSA-N 0 3 357.414 -0.283 20 0 FBADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)nc2c1c(=O)n(C)c(=O)n2C ZINC000646918259 483528261 /nfs/dbraw/zinc/52/82/61/483528261.db2.gz QNMBQFLTWGDUAE-WCQYABFASA-N 0 3 357.414 -0.283 20 0 FBADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)nc2c1c(=O)n(C)c(=O)n2C ZINC000646918260 483528693 /nfs/dbraw/zinc/52/86/93/483528693.db2.gz QNMBQFLTWGDUAE-YPMHNXCESA-N 0 3 357.414 -0.283 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000646919631 483528214 /nfs/dbraw/zinc/52/82/14/483528214.db2.gz KCDJADFYNJBDKP-BBWFWOEESA-N 0 3 364.490 -0.138 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000646919632 483528449 /nfs/dbraw/zinc/52/84/49/483528449.db2.gz KCDJADFYNJBDKP-GVDBMIGSSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000646919633 483528295 /nfs/dbraw/zinc/52/82/95/483528295.db2.gz KCDJADFYNJBDKP-ULQDDVLXSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000646919634 483528044 /nfs/dbraw/zinc/52/80/44/483528044.db2.gz KCDJADFYNJBDKP-YESZJQIVSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1 ZINC000646922823 484149736 /nfs/dbraw/zinc/14/97/36/484149736.db2.gz QJJWVRWHMKIQMS-CMPLNLGQSA-N 0 3 358.402 0.545 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000646922824 484150719 /nfs/dbraw/zinc/15/07/19/484150719.db2.gz QJJWVRWHMKIQMS-JQWIXIFHSA-N 0 3 358.402 0.545 20 0 FBADHN CN1C[C@H]2CCN(C(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)[C@H]2C1 ZINC000646922825 484149818 /nfs/dbraw/zinc/14/98/18/484149818.db2.gz QJJWVRWHMKIQMS-PWSUYJOCSA-N 0 3 358.402 0.545 20 0 FBADHN CN1C[C@H]2CCN(C(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1 ZINC000646922826 484149662 /nfs/dbraw/zinc/14/96/62/484149662.db2.gz QJJWVRWHMKIQMS-ZYHUDNBSSA-N 0 3 358.402 0.545 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000646924294 483528701 /nfs/dbraw/zinc/52/87/01/483528701.db2.gz FKKFBOYNKOMMEJ-BXUZGUMPSA-N 0 3 356.448 -0.285 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000646924295 483528798 /nfs/dbraw/zinc/52/87/98/483528798.db2.gz FKKFBOYNKOMMEJ-FZMZJTMJSA-N 0 3 356.448 -0.285 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000646924296 483528543 /nfs/dbraw/zinc/52/85/43/483528543.db2.gz FKKFBOYNKOMMEJ-RISCZKNCSA-N 0 3 356.448 -0.285 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000646924297 483528507 /nfs/dbraw/zinc/52/85/07/483528507.db2.gz FKKFBOYNKOMMEJ-SMDDNHRTSA-N 0 3 356.448 -0.285 20 0 FBADHN CCc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646924655 483528852 /nfs/dbraw/zinc/52/88/52/483528852.db2.gz KNJBHVMSFKVTBQ-BXUZGUMPSA-N 0 3 371.441 -0.029 20 0 FBADHN CCc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646924656 483528173 /nfs/dbraw/zinc/52/81/73/483528173.db2.gz KNJBHVMSFKVTBQ-FZMZJTMJSA-N 0 3 371.441 -0.029 20 0 FBADHN CCc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646924657 483528134 /nfs/dbraw/zinc/52/81/34/483528134.db2.gz KNJBHVMSFKVTBQ-RISCZKNCSA-N 0 3 371.441 -0.029 20 0 FBADHN CCc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646924658 483528814 /nfs/dbraw/zinc/52/88/14/483528814.db2.gz KNJBHVMSFKVTBQ-SMDDNHRTSA-N 0 3 371.441 -0.029 20 0 FBADHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646927089 483530251 /nfs/dbraw/zinc/53/02/51/483530251.db2.gz CDYNZYAPSWXCNE-AAEUAGOBSA-N 0 3 357.414 -0.283 20 0 FBADHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646927090 483529769 /nfs/dbraw/zinc/52/97/69/483529769.db2.gz CDYNZYAPSWXCNE-DGCLKSJQSA-N 0 3 357.414 -0.283 20 0 FBADHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646927091 483529838 /nfs/dbraw/zinc/52/98/38/483529838.db2.gz CDYNZYAPSWXCNE-WCQYABFASA-N 0 3 357.414 -0.283 20 0 FBADHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000646927092 483530299 /nfs/dbraw/zinc/53/02/99/483530299.db2.gz CDYNZYAPSWXCNE-YPMHNXCESA-N 0 3 357.414 -0.283 20 0 FBADHN CN(C)S(=O)(=O)NCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000646952454 483531922 /nfs/dbraw/zinc/53/19/22/483531922.db2.gz WMSRFDRCJPWOFY-UHFFFAOYSA-N 0 3 355.464 -0.190 20 0 FBADHN CN(C)S(=O)(=O)NCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000646956169 483534724 /nfs/dbraw/zinc/53/47/24/483534724.db2.gz BMYMEBNAWDQAQK-HNNXBMFYSA-N 0 3 370.475 -0.735 20 0 FBADHN CN(C)S(=O)(=O)NCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000646956170 483534217 /nfs/dbraw/zinc/53/42/17/483534217.db2.gz BMYMEBNAWDQAQK-OAHLLOKOSA-N 0 3 370.475 -0.735 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646956535 483534857 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/nfs/dbraw/zinc/56/20/88/483562088.db2.gz VPEWRVLDMBKBAR-NHYWBVRUSA-N 0 3 374.463 -0.157 20 0 FBADHN COC[C@]1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CCC[NH2+]1 ZINC000647042578 483561911 /nfs/dbraw/zinc/56/19/11/483561911.db2.gz VPEWRVLDMBKBAR-XHDPSFHLSA-N 0 3 374.463 -0.157 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)CCC1 ZINC000647043811 483564079 /nfs/dbraw/zinc/56/40/79/483564079.db2.gz CPZZETNBGFZPRC-UHFFFAOYSA-N 0 3 360.480 -0.919 20 0 FBADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000647047103 483565329 /nfs/dbraw/zinc/56/53/29/483565329.db2.gz MBJNVTJLHZLMJK-CYBMUJFWSA-N 0 3 358.442 -0.152 20 0 FBADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000647047104 483565236 /nfs/dbraw/zinc/56/52/36/483565236.db2.gz MBJNVTJLHZLMJK-ZDUSSCGKSA-N 0 3 358.442 -0.152 20 0 FBADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000647052133 483564474 /nfs/dbraw/zinc/56/44/74/483564474.db2.gz MHWDZUTUWWABMZ-CHWSQXEVSA-N 0 3 352.435 -0.236 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000647055312 483565861 /nfs/dbraw/zinc/56/58/61/483565861.db2.gz VATPPTGFKSQUJA-UHFFFAOYSA-N 0 3 362.496 -0.672 20 0 FBADHN O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@@H]1C[C@H](F)CN1 ZINC000647058519 484219588 /nfs/dbraw/zinc/21/95/88/484219588.db2.gz OEIGDRWAZVYLSU-IUCAKERBSA-N 0 3 350.354 0.198 20 0 FBADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000647058582 483568021 /nfs/dbraw/zinc/56/80/21/483568021.db2.gz SBWPLICWDQONKV-BBRMVZONSA-N 0 3 374.441 -0.484 20 0 FBADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000647058583 483567778 /nfs/dbraw/zinc/56/77/78/483567778.db2.gz SBWPLICWDQONKV-CJNGLKHVSA-N 0 3 374.441 -0.484 20 0 FBADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000647058584 483568049 /nfs/dbraw/zinc/56/80/49/483568049.db2.gz SBWPLICWDQONKV-CZUORRHYSA-N 0 3 374.441 -0.484 20 0 FBADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000647058585 483567695 /nfs/dbraw/zinc/56/76/95/483567695.db2.gz SBWPLICWDQONKV-XJKSGUPXSA-N 0 3 374.441 -0.484 20 0 FBADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000647060191 483567526 /nfs/dbraw/zinc/56/75/26/483567526.db2.gz GDBBNMRKAQWYME-GFCCVEGCSA-N 0 3 363.418 -0.715 20 0 FBADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000647060192 483568287 /nfs/dbraw/zinc/56/82/87/483568287.db2.gz GDBBNMRKAQWYME-LBPRGKRZSA-N 0 3 363.418 -0.715 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)CC1 ZINC000647060751 483569229 /nfs/dbraw/zinc/56/92/29/483569229.db2.gz ROVMKIWFXNRTGT-CYBMUJFWSA-N 0 3 354.451 -0.361 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)CC1 ZINC000647060752 483569791 /nfs/dbraw/zinc/56/97/91/483569791.db2.gz ROVMKIWFXNRTGT-ZDUSSCGKSA-N 0 3 354.451 -0.361 20 0 FBADHN C[C@@H](NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O)C1=CCN(C)CC1 ZINC000647073109 483570669 /nfs/dbraw/zinc/57/06/69/483570669.db2.gz RCYHJACGWGLSTQ-CYBMUJFWSA-N 0 3 372.491 -0.753 20 0 FBADHN C[C@H](NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O)C1=CCN(C)CC1 ZINC000647073110 483571002 /nfs/dbraw/zinc/57/10/02/483571002.db2.gz RCYHJACGWGLSTQ-ZDUSSCGKSA-N 0 3 372.491 -0.753 20 0 FBADHN Cn1c2c(ccn2CC(=O)N[C@H]2CNCCC2(F)F)c(=O)n(C)c1=O ZINC000647076274 483572131 /nfs/dbraw/zinc/57/21/31/483572131.db2.gz TVSDOZCOXUKOJO-JTQLQIEISA-N 0 3 355.345 -0.848 20 0 FBADHN Cn1c2c(ccn2CC(=O)N[C@@H]2CNCCC2(F)F)c(=O)n(C)c1=O ZINC000647076275 483571998 /nfs/dbraw/zinc/57/19/98/483571998.db2.gz TVSDOZCOXUKOJO-SNVBAGLBSA-N 0 3 355.345 -0.848 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cn1C ZINC000647081265 483571628 /nfs/dbraw/zinc/57/16/28/483571628.db2.gz YQQCUROWSMWRDG-GFCCVEGCSA-N 0 3 357.480 -0.099 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2CC[NH2+]CC2(C)C)cn1C ZINC000647081266 483572212 /nfs/dbraw/zinc/57/22/12/483572212.db2.gz YQQCUROWSMWRDG-LBPRGKRZSA-N 0 3 357.480 -0.099 20 0 FBADHN O=C(CNC(=O)CNC(=O)c1ccncc1)NCCN1CCCCCC1 ZINC000647081309 483572351 /nfs/dbraw/zinc/57/23/51/483572351.db2.gz HSZWTMREFNAHCM-UHFFFAOYSA-N 0 3 361.446 -0.080 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647081872 483573175 /nfs/dbraw/zinc/57/31/75/483573175.db2.gz UEQVQHBULCERDR-MRVPVSSYSA-N 0 3 361.196 -0.794 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647081873 483573116 /nfs/dbraw/zinc/57/31/16/483573116.db2.gz UEQVQHBULCERDR-QMMMGPOBSA-N 0 3 361.196 -0.794 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647081927 483573519 /nfs/dbraw/zinc/57/35/19/483573519.db2.gz YYDYQBXWADRPHM-CMPLNLGQSA-N 0 3 360.436 -0.547 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647081928 483573240 /nfs/dbraw/zinc/57/32/40/483573240.db2.gz YYDYQBXWADRPHM-JQWIXIFHSA-N 0 3 360.436 -0.547 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647081929 483573500 /nfs/dbraw/zinc/57/35/00/483573500.db2.gz YYDYQBXWADRPHM-PWSUYJOCSA-N 0 3 360.436 -0.547 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647081930 483573921 /nfs/dbraw/zinc/57/39/21/483573921.db2.gz YYDYQBXWADRPHM-ZYHUDNBSSA-N 0 3 360.436 -0.547 20 0 FBADHN O=C(CNC(=O)CNC(=O)c1cccnc1)NCCN1CCCCCC1 ZINC000647081950 483573273 /nfs/dbraw/zinc/57/32/73/483573273.db2.gz BGHZRKKSERUPDZ-UHFFFAOYSA-N 0 3 361.446 -0.080 20 0 FBADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000647082270 483571894 /nfs/dbraw/zinc/57/18/94/483571894.db2.gz BVCLSUJLOBYGJF-AWEZNQCLSA-N 0 3 374.507 -0.481 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000647082271 483571844 /nfs/dbraw/zinc/57/18/44/483571844.db2.gz BVCLSUJLOBYGJF-CQSZACIVSA-N 0 3 374.507 -0.481 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000647086392 483573785 /nfs/dbraw/zinc/57/37/85/483573785.db2.gz AXDDNHZHANGLKF-AWEZNQCLSA-N 0 3 369.443 -0.338 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CNCCO2)cc1 ZINC000647086393 483573894 /nfs/dbraw/zinc/57/38/94/483573894.db2.gz AXDDNHZHANGLKF-CQSZACIVSA-N 0 3 369.443 -0.338 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000647086550 483573966 /nfs/dbraw/zinc/57/39/66/483573966.db2.gz AMBIPCFPVNCSFB-INIZCTEOSA-N 0 3 367.471 -0.365 20 0 FBADHN O=C(NC[C@H]1CNCCO1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000647086551 483573719 /nfs/dbraw/zinc/57/37/19/483573719.db2.gz AMBIPCFPVNCSFB-MRXNPFEDSA-N 0 3 367.471 -0.365 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)Cn3nnc4ccccc4c3=O)C2)nn1 ZINC000647087328 483573947 /nfs/dbraw/zinc/57/39/47/483573947.db2.gz GZTGRPLBYCAIGD-CYBMUJFWSA-N 0 3 368.401 -0.295 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)Cn3nnc4ccccc4c3=O)C2)nn1 ZINC000647087329 483572946 /nfs/dbraw/zinc/57/29/46/483572946.db2.gz GZTGRPLBYCAIGD-ZDUSSCGKSA-N 0 3 368.401 -0.295 20 0 FBADHN CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000647087593 483573127 /nfs/dbraw/zinc/57/31/27/483573127.db2.gz OBIFGAYJYABCMN-GFCCVEGCSA-N 0 3 358.468 -0.382 20 0 FBADHN CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000647087594 483573339 /nfs/dbraw/zinc/57/33/39/483573339.db2.gz OBIFGAYJYABCMN-LBPRGKRZSA-N 0 3 358.468 -0.382 20 0 FBADHN CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000647087661 483573629 /nfs/dbraw/zinc/57/36/29/483573629.db2.gz WATUQYXLKDJYGA-KBPBESRZSA-N 0 3 370.479 -0.286 20 0 FBADHN CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000647087662 483573143 /nfs/dbraw/zinc/57/31/43/483573143.db2.gz WATUQYXLKDJYGA-KGLIPLIRSA-N 0 3 370.479 -0.286 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000647087663 483573804 /nfs/dbraw/zinc/57/38/04/483573804.db2.gz WATUQYXLKDJYGA-UONOGXRCSA-N 0 3 370.479 -0.286 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000647087664 483573314 /nfs/dbraw/zinc/57/33/14/483573314.db2.gz WATUQYXLKDJYGA-ZIAGYGMSSA-N 0 3 370.479 -0.286 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647088941 483574832 /nfs/dbraw/zinc/57/48/32/483574832.db2.gz ATTLTNXJBQHNSA-CMPLNLGQSA-N 0 3 360.436 -0.466 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647088942 483574441 /nfs/dbraw/zinc/57/44/41/483574441.db2.gz ATTLTNXJBQHNSA-JQWIXIFHSA-N 0 3 360.436 -0.466 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647088943 483575240 /nfs/dbraw/zinc/57/52/40/483575240.db2.gz ATTLTNXJBQHNSA-PWSUYJOCSA-N 0 3 360.436 -0.466 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647088944 483575425 /nfs/dbraw/zinc/57/54/25/483575425.db2.gz ATTLTNXJBQHNSA-ZYHUDNBSSA-N 0 3 360.436 -0.466 20 0 FBADHN N[C@@H](CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000647092180 483575165 /nfs/dbraw/zinc/57/51/65/483575165.db2.gz QEMDFIOLVRYYFU-HNNXBMFYSA-N 0 3 352.460 -0.478 20 0 FBADHN N[C@H](CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1 ZINC000647092181 483574284 /nfs/dbraw/zinc/57/42/84/483574284.db2.gz QEMDFIOLVRYYFU-OAHLLOKOSA-N 0 3 352.460 -0.478 20 0 FBADHN C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000647095065 483576689 /nfs/dbraw/zinc/57/66/89/483576689.db2.gz OPNCGJRUUVWJJW-NSHDSACASA-N 0 3 359.423 -0.195 20 0 FBADHN CS(=O)(=O)N1CCC(NCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647170324 661835505 /nfs/dbraw/zinc/83/55/05/661835505.db2.gz VQNRAPYDIBASSS-UHFFFAOYSA-N 0 3 365.452 -0.013 20 0 FBADHN CCS(=O)(=O)NCCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000647177124 483752030 /nfs/dbraw/zinc/75/20/30/483752030.db2.gz LZTNRNUHFUTCAP-UHFFFAOYSA-N 0 3 353.441 -0.108 20 0 FBADHN CN1CCN(C(=O)CCNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179584 483754131 /nfs/dbraw/zinc/75/41/31/483754131.db2.gz FTYRALVAFXUPSZ-UHFFFAOYSA-N 0 3 358.439 -0.273 20 0 FBADHN CS(=O)(=O)N1CCN(CCNCc2ccnn2-c2ccccn2)CC1 ZINC000647179632 483753905 /nfs/dbraw/zinc/75/39/05/483753905.db2.gz IFNYFKZVQUEAME-UHFFFAOYSA-N 0 3 364.475 -0.066 20 0 FBADHN NS(=O)(=O)c1ccc(CNCCCN2CCCS2(=O)=O)c(F)c1 ZINC000647180278 483754171 /nfs/dbraw/zinc/75/41/71/483754171.db2.gz 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FBADHN CC[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@@H]1[NH3+] ZINC000647269340 483890240 /nfs/dbraw/zinc/89/02/40/483890240.db2.gz QMHWKZUSIUULMC-SKDRFNHKSA-N 0 3 367.431 -0.218 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000647272050 483891357 /nfs/dbraw/zinc/89/13/57/483891357.db2.gz ZMODTRJEUNMONJ-CEFVDNRUSA-N 0 3 368.415 -0.482 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000647272051 483891394 /nfs/dbraw/zinc/89/13/94/483891394.db2.gz ZMODTRJEUNMONJ-QQXLSSBLSA-N 0 3 368.415 -0.482 20 0 FBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)s1 ZINC000647272608 483891839 /nfs/dbraw/zinc/89/18/39/483891839.db2.gz ZRJJWMFCEYMZPM-AOOOYVTPSA-N 0 3 367.518 -0.002 20 0 FBADHN COc1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000647273031 483892214 /nfs/dbraw/zinc/89/22/14/483892214.db2.gz XWHRLWHTKDVFHL-CLAHSXSESA-N 0 3 356.404 -0.625 20 0 FBADHN COc1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000647273032 483891862 /nfs/dbraw/zinc/89/18/62/483891862.db2.gz XWHRLWHTKDVFHL-RMLUDKJBSA-N 0 3 356.404 -0.625 20 0 FBADHN COc1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000647273033 483891759 /nfs/dbraw/zinc/89/17/59/483891759.db2.gz XWHRLWHTKDVFHL-RTHLEPHNSA-N 0 3 356.404 -0.625 20 0 FBADHN COc1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000647273034 483892076 /nfs/dbraw/zinc/89/20/76/483892076.db2.gz XWHRLWHTKDVFHL-XLKFXECMSA-N 0 3 356.404 -0.625 20 0 FBADHN COc1ccc(S(=O)(=O)N(C)C2CNC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000647299471 483930768 /nfs/dbraw/zinc/93/07/68/483930768.db2.gz LBWBQOBFXUTWDB-HNNXBMFYSA-N 0 3 368.415 -0.658 20 0 FBADHN COc1ccc(S(=O)(=O)N(C)C2CNC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000647299472 483930555 /nfs/dbraw/zinc/93/05/55/483930555.db2.gz LBWBQOBFXUTWDB-OAHLLOKOSA-N 0 3 368.415 -0.658 20 0 FBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C)C2CNC2)s1 ZINC000647299594 483931896 /nfs/dbraw/zinc/93/18/96/483931896.db2.gz UIUREGCOXUPFMQ-UHFFFAOYSA-N 0 3 367.518 -0.178 20 0 FBADHN CN(C1CNC1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000647299620 483931554 /nfs/dbraw/zinc/93/15/54/483931554.db2.gz WOEMIFRHKAHVFQ-UHFFFAOYSA-N 0 3 354.354 -0.091 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000647303674 483945976 /nfs/dbraw/zinc/94/59/76/483945976.db2.gz IEMPZIGQIQORHL-QWRGUYRKSA-N 0 3 365.452 -0.085 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1C ZINC000647304763 483950248 /nfs/dbraw/zinc/95/02/48/483950248.db2.gz DTZRSBILAQWYAX-QWRGUYRKSA-N 0 3 365.452 -0.119 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000647305127 483949763 /nfs/dbraw/zinc/94/97/63/483949763.db2.gz REVFBDPMTJIOBX-UWVGGRQHSA-N 0 3 351.425 -0.427 20 0 FBADHN COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000647314140 483982357 /nfs/dbraw/zinc/98/23/57/483982357.db2.gz ZGAKBIPIFWYRJX-IQMYEBEASA-N 0 3 370.431 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O=C(CN1CCC(=O)NC1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000647414152 484129978 /nfs/dbraw/zinc/12/99/78/484129978.db2.gz NXBLHGXQRLYKAS-OAHLLOKOSA-N 0 3 360.414 -0.536 20 0 FBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CN2CCN1CCC2 ZINC000647414160 484129779 /nfs/dbraw/zinc/12/97/79/484129779.db2.gz SJNTVAJRSPGFEA-MOPGFXCFSA-N 0 3 358.486 -0.088 20 0 FBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CN2CCN1CCC2 ZINC000647414161 484129645 /nfs/dbraw/zinc/12/96/45/484129645.db2.gz SJNTVAJRSPGFEA-RTBURBONSA-N 0 3 358.486 -0.088 20 0 FBADHN CS(=O)(=O)NCCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000647415000 484131933 /nfs/dbraw/zinc/13/19/33/484131933.db2.gz PZVPHKDUJYXSLT-OAHLLOKOSA-N 0 3 355.460 -0.539 20 0 FBADHN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccnn1CCN(C)C ZINC000647438053 484133335 /nfs/dbraw/zinc/13/33/35/484133335.db2.gz MUWLOVIZFXJEPQ-GFCCVEGCSA-N 0 3 352.439 -0.211 20 0 FBADHN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccnn1CCN(C)C ZINC000647438060 484133574 /nfs/dbraw/zinc/13/35/74/484133574.db2.gz 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C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)C1 ZINC000647565341 484311252 /nfs/dbraw/zinc/31/12/52/484311252.db2.gz KHJKHRUBIUSIHZ-HUUCEWRRSA-N 0 3 353.463 -0.214 20 0 FBADHN C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)C1 ZINC000647565342 484312261 /nfs/dbraw/zinc/31/22/61/484312261.db2.gz KHJKHRUBIUSIHZ-LSDHHAIUSA-N 0 3 353.463 -0.214 20 0 FBADHN C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000647565384 484311469 /nfs/dbraw/zinc/31/14/69/484311469.db2.gz MSCJWPASQHVAIH-CABCVRRESA-N 0 3 353.463 -0.071 20 0 FBADHN C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000647565385 484311956 /nfs/dbraw/zinc/31/19/56/484311956.db2.gz MSCJWPASQHVAIH-GJZGRUSLSA-N 0 3 353.463 -0.071 20 0 FBADHN C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000647565386 484311778 /nfs/dbraw/zinc/31/17/78/484311778.db2.gz MSCJWPASQHVAIH-HUUCEWRRSA-N 0 3 353.463 -0.071 20 0 FBADHN C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000647565387 484313120 /nfs/dbraw/zinc/31/31/20/484313120.db2.gz MSCJWPASQHVAIH-LSDHHAIUSA-N 0 3 353.463 -0.071 20 0 FBADHN CON1CCC(N(C)C(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)CC1 ZINC000647565687 484313048 /nfs/dbraw/zinc/31/30/48/484313048.db2.gz XMROIEZKTGNYQB-UHFFFAOYSA-N 0 3 368.478 -0.206 20 0 FBADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C1 ZINC000647565708 484312692 /nfs/dbraw/zinc/31/26/92/484312692.db2.gz YDLRXYCMVUIYSD-AWEZNQCLSA-N 0 3 374.507 -0.579 20 0 FBADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C1 ZINC000647565709 484313330 /nfs/dbraw/zinc/31/33/30/484313330.db2.gz YDLRXYCMVUIYSD-CQSZACIVSA-N 0 3 374.507 -0.579 20 0 FBADHN CN1CCC2(CC1)CN(C(=O)C(=O)N1CCC[C@@H]3COC[C@@H]31)CCO2 ZINC000647565711 484313037 /nfs/dbraw/zinc/31/30/37/484313037.db2.gz YGNKKOLIGBXDBL-CABCVRRESA-N 0 3 351.447 -0.053 20 0 FBADHN CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000647566779 484313227 /nfs/dbraw/zinc/31/32/27/484313227.db2.gz BRWHZFWQVUBUEW-UONOGXRCSA-N 0 3 372.491 -0.967 20 0 FBADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000647573284 484319181 /nfs/dbraw/zinc/31/91/81/484319181.db2.gz SQQFJJHTNJNGTF-ILXRZTDVSA-N 0 3 365.478 -0.883 20 0 FBADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000647573285 484318374 /nfs/dbraw/zinc/31/83/74/484318374.db2.gz SQQFJJHTNJNGTF-KFWWJZLASA-N 0 3 365.478 -0.883 20 0 FBADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000647573286 484318172 /nfs/dbraw/zinc/31/81/72/484318172.db2.gz SQQFJJHTNJNGTF-QLFBSQMISA-N 0 3 365.478 -0.883 20 0 FBADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000647573287 484318686 /nfs/dbraw/zinc/31/86/86/484318686.db2.gz SQQFJJHTNJNGTF-RBSFLKMASA-N 0 3 365.478 -0.883 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CN(C)C(=O)[C@H]2C)CC1 ZINC000647573552 484318213 /nfs/dbraw/zinc/31/82/13/484318213.db2.gz XKMYCHHVLYYSMK-GFCCVEGCSA-N 0 3 361.402 -0.615 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)CC1 ZINC000647573553 484318741 /nfs/dbraw/zinc/31/87/41/484318741.db2.gz XKMYCHHVLYYSMK-LBPRGKRZSA-N 0 3 361.402 -0.615 20 0 FBADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000647574355 484318263 /nfs/dbraw/zinc/31/82/63/484318263.db2.gz LLNDMJSGARCBDN-AWEZNQCLSA-N 0 3 365.478 -0.881 20 0 FBADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000647574356 484318189 /nfs/dbraw/zinc/31/81/89/484318189.db2.gz LLNDMJSGARCBDN-CQSZACIVSA-N 0 3 365.478 -0.881 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN)S(C)(=O)=O ZINC000647594425 484325235 /nfs/dbraw/zinc/32/52/35/484325235.db2.gz KIRJKRHIZRJEFO-BXUZGUMPSA-N 0 3 353.444 -0.380 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN)S(C)(=O)=O ZINC000647594426 484325148 /nfs/dbraw/zinc/32/51/48/484325148.db2.gz KIRJKRHIZRJEFO-FZMZJTMJSA-N 0 3 353.444 -0.380 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN)S(C)(=O)=O ZINC000647594427 484325635 /nfs/dbraw/zinc/32/56/35/484325635.db2.gz KIRJKRHIZRJEFO-RISCZKNCSA-N 0 3 353.444 -0.380 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN)S(C)(=O)=O ZINC000647594428 484325607 /nfs/dbraw/zinc/32/56/07/484325607.db2.gz KIRJKRHIZRJEFO-SMDDNHRTSA-N 0 3 353.444 -0.380 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000647594805 484325316 /nfs/dbraw/zinc/32/53/16/484325316.db2.gz ONNRICONFGQHIV-PBHICJAKSA-N 0 3 360.458 -0.092 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000647594806 484325367 /nfs/dbraw/zinc/32/53/67/484325367.db2.gz ONNRICONFGQHIV-RHSMWYFYSA-N 0 3 360.458 -0.092 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000647594807 484324349 /nfs/dbraw/zinc/32/43/49/484324349.db2.gz ONNRICONFGQHIV-WMLDXEAASA-N 0 3 360.458 -0.092 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000647594808 484324911 /nfs/dbraw/zinc/32/49/11/484324911.db2.gz ONNRICONFGQHIV-YOEHRIQHSA-N 0 3 360.458 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN)[C@H]1CN(C)CCO1 ZINC000647594915 484324751 /nfs/dbraw/zinc/32/47/51/484324751.db2.gz ZSYXOYGNXMFYDH-IAOVAPTHSA-N 0 3 360.458 -0.094 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN)[C@@H]1CN(C)CCO1 ZINC000647594916 484325290 /nfs/dbraw/zinc/32/52/90/484325290.db2.gz ZSYXOYGNXMFYDH-JQFCIGGWSA-N 0 3 360.458 -0.094 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN)[C@H]1CN(C)CCO1 ZINC000647594917 484325574 /nfs/dbraw/zinc/32/55/74/484325574.db2.gz ZSYXOYGNXMFYDH-RRQGHBQHSA-N 0 3 360.458 -0.094 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN)[C@@H]1CN(C)CCO1 ZINC000647594918 484324968 /nfs/dbraw/zinc/32/49/68/484324968.db2.gz ZSYXOYGNXMFYDH-XKQJLSEDSA-N 0 3 360.458 -0.094 20 0 FBADHN O=C(NCc1ccc2c(c1)OC(F)(F)O2)C(=O)NC[C@@H]1CNCCO1 ZINC000647596644 484325435 /nfs/dbraw/zinc/32/54/35/484325435.db2.gz FWYAOAPPSHSYRT-JTQLQIEISA-N 0 3 357.313 -0.271 20 0 FBADHN O=C(NCc1ccc2c(c1)OC(F)(F)O2)C(=O)NC[C@H]1CNCCO1 ZINC000647596645 484325625 /nfs/dbraw/zinc/32/56/25/484325625.db2.gz FWYAOAPPSHSYRT-SNVBAGLBSA-N 0 3 357.313 -0.271 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000647596737 484325548 /nfs/dbraw/zinc/32/55/48/484325548.db2.gz MHSCSTDKDVGJHF-UHFFFAOYSA-N 0 3 359.329 -0.024 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)OC(F)(F)O3)[C@H](CN)C1 ZINC000647598460 484326585 /nfs/dbraw/zinc/32/65/85/484326585.db2.gz PLOMKMAGHLWRKR-LLVKDONJSA-N 0 3 370.356 -0.274 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)OC(F)(F)O3)[C@@H](CN)C1 ZINC000647598461 484327053 /nfs/dbraw/zinc/32/70/53/484327053.db2.gz PLOMKMAGHLWRKR-NSHDSACASA-N 0 3 370.356 -0.274 20 0 FBADHN CNC(=O)[C@]1(C(F)(F)F)CCN([C@H]2CC(=O)N(CCN(C)C)C2=O)C1 ZINC000647600865 484326657 /nfs/dbraw/zinc/32/66/57/484326657.db2.gz LXXQXHGURSNNBR-HZMBPMFUSA-N 0 3 364.368 -0.324 20 0 FBADHN CNC(=O)[C@@]1(C(F)(F)F)CCN([C@H]2CC(=O)N(CCN(C)C)C2=O)C1 ZINC000647600866 484326914 /nfs/dbraw/zinc/32/69/14/484326914.db2.gz LXXQXHGURSNNBR-IINYFYTJSA-N 0 3 364.368 -0.324 20 0 FBADHN CNC(=O)[C@@]1(C(F)(F)F)CCN([C@@H]2CC(=O)N(CCN(C)C)C2=O)C1 ZINC000647600867 484327067 /nfs/dbraw/zinc/32/70/67/484327067.db2.gz LXXQXHGURSNNBR-QMTHXVAHSA-N 0 3 364.368 -0.324 20 0 FBADHN CNC(=O)[C@]1(C(F)(F)F)CCN([C@@H]2CC(=O)N(CCN(C)C)C2=O)C1 ZINC000647600868 484326109 /nfs/dbraw/zinc/32/61/09/484326109.db2.gz LXXQXHGURSNNBR-YGRLFVJLSA-N 0 3 364.368 -0.324 20 0 FBADHN CN1CC2(C1)CCN(C(=O)CCN1CCN(C(=O)[C@@H]3CCCO3)CC1)C2 ZINC000647621866 484329754 /nfs/dbraw/zinc/32/97/54/484329754.db2.gz FQWDMDPIVCOSFB-INIZCTEOSA-N 0 3 364.490 -0.136 20 0 FBADHN CN1CC2(C1)CCN(C(=O)CCN1CCN(C(=O)[C@H]3CCCO3)CC1)C2 ZINC000647621867 484329546 /nfs/dbraw/zinc/32/95/46/484329546.db2.gz FQWDMDPIVCOSFB-MRXNPFEDSA-N 0 3 364.490 -0.136 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1 ZINC000647624848 484329610 /nfs/dbraw/zinc/32/96/10/484329610.db2.gz OVCAHOZUVRLLKH-INIZCTEOSA-N 0 3 370.475 -0.139 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1 ZINC000647624849 484330067 /nfs/dbraw/zinc/33/00/67/484330067.db2.gz OVCAHOZUVRLLKH-MRXNPFEDSA-N 0 3 370.475 -0.139 20 0 FBADHN COc1ccccc1[C@H](N)CNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000647634285 484330576 /nfs/dbraw/zinc/33/05/76/484330576.db2.gz TYVCRDVFVAMFQL-CYBMUJFWSA-N 0 3 367.431 -0.255 20 0 FBADHN COc1ccccc1[C@@H](N)CNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000647634286 484330754 /nfs/dbraw/zinc/33/07/54/484330754.db2.gz TYVCRDVFVAMFQL-ZDUSSCGKSA-N 0 3 367.431 -0.255 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C2CC2)C2CC[NH2+]CC2)cn1C ZINC000647643244 484344463 /nfs/dbraw/zinc/34/44/63/484344463.db2.gz RVQYKTKFINJINM-UHFFFAOYSA-N 0 3 355.464 -0.250 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCNCc1cccnc1 ZINC000647644859 484361976 /nfs/dbraw/zinc/36/19/76/484361976.db2.gz DIOVPNPAONDDOQ-INIZCTEOSA-N 0 3 361.446 -0.195 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCNCc1cccnc1 ZINC000647644860 484362323 /nfs/dbraw/zinc/36/23/23/484362323.db2.gz DIOVPNPAONDDOQ-MRXNPFEDSA-N 0 3 361.446 -0.195 20 0 FBADHN Cc1cc(C)n2nc(NC(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)nc2n1 ZINC000647673757 484223788 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-0.047 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)C1=O ZINC000647822759 484297563 /nfs/dbraw/zinc/29/75/63/484297563.db2.gz YCJMVAACOJCVJK-KBPBESRZSA-N 0 3 352.435 -0.018 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CCOC[C@H]2[C@H]2CCCN2C)C1=O ZINC000647822760 484297993 /nfs/dbraw/zinc/29/79/93/484297993.db2.gz YCJMVAACOJCVJK-KGLIPLIRSA-N 0 3 352.435 -0.018 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)C1=O ZINC000647822761 484297913 /nfs/dbraw/zinc/29/79/13/484297913.db2.gz YCJMVAACOJCVJK-UONOGXRCSA-N 0 3 352.435 -0.018 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)C1=O ZINC000647822762 484297004 /nfs/dbraw/zinc/29/70/04/484297004.db2.gz YCJMVAACOJCVJK-ZIAGYGMSSA-N 0 3 352.435 -0.018 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000647823366 484297263 /nfs/dbraw/zinc/29/72/63/484297263.db2.gz HOBFVPWKRSHCTE-GXTWGEPZSA-N 0 3 356.448 -0.392 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000647823367 484297507 /nfs/dbraw/zinc/29/75/07/484297507.db2.gz HOBFVPWKRSHCTE-JSGCOSHPSA-N 0 3 356.448 -0.392 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000647823368 484297862 /nfs/dbraw/zinc/29/78/62/484297862.db2.gz HOBFVPWKRSHCTE-OCCSQVGLSA-N 0 3 356.448 -0.392 20 0 FBADHN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000647823369 484298820 /nfs/dbraw/zinc/29/88/20/484298820.db2.gz HOBFVPWKRSHCTE-TZMCWYRMSA-N 0 3 356.448 -0.392 20 0 FBADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647824122 484299604 /nfs/dbraw/zinc/29/96/04/484299604.db2.gz SILAWRLUXUGZDB-KBPBESRZSA-N 0 3 373.413 -0.031 20 0 FBADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647824124 484298854 /nfs/dbraw/zinc/29/88/54/484298854.db2.gz SILAWRLUXUGZDB-KGLIPLIRSA-N 0 3 373.413 -0.031 20 0 FBADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647824125 484299279 /nfs/dbraw/zinc/29/92/79/484299279.db2.gz SILAWRLUXUGZDB-UONOGXRCSA-N 0 3 373.413 -0.031 20 0 FBADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647824126 484298620 /nfs/dbraw/zinc/29/86/20/484298620.db2.gz SILAWRLUXUGZDB-ZIAGYGMSSA-N 0 3 373.413 -0.031 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000647824518 484299058 /nfs/dbraw/zinc/29/90/58/484299058.db2.gz YIFQMFICCOELPA-KBPBESRZSA-N 0 3 363.480 -0.736 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000647824519 484299546 /nfs/dbraw/zinc/29/95/46/484299546.db2.gz YIFQMFICCOELPA-KGLIPLIRSA-N 0 3 363.480 -0.736 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000647824520 484299248 /nfs/dbraw/zinc/29/92/48/484299248.db2.gz YIFQMFICCOELPA-UONOGXRCSA-N 0 3 363.480 -0.736 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000647824521 484298804 /nfs/dbraw/zinc/29/88/04/484298804.db2.gz YIFQMFICCOELPA-ZIAGYGMSSA-N 0 3 363.480 -0.736 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000647824594 484298251 /nfs/dbraw/zinc/29/82/51/484298251.db2.gz ZIGHMNNUOZIUPU-CHWSQXEVSA-N 0 3 371.463 -0.980 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000647824594 484298242 /nfs/dbraw/zinc/29/82/42/484298242.db2.gz ZIGHMNNUOZIUPU-CHWSQXEVSA-N 0 3 371.463 -0.980 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000647824595 484298466 /nfs/dbraw/zinc/29/84/66/484298466.db2.gz ZIGHMNNUOZIUPU-OLZOCXBDSA-N 0 3 371.463 -0.980 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000647824595 484298459 /nfs/dbraw/zinc/29/84/59/484298459.db2.gz ZIGHMNNUOZIUPU-OLZOCXBDSA-N 0 3 371.463 -0.980 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000647824596 484299041 /nfs/dbraw/zinc/29/90/41/484299041.db2.gz ZIGHMNNUOZIUPU-QWHCGFSZSA-N 0 3 371.463 -0.980 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000647824596 484299034 /nfs/dbraw/zinc/29/90/34/484299034.db2.gz ZIGHMNNUOZIUPU-QWHCGFSZSA-N 0 3 371.463 -0.980 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000647824597 484298781 /nfs/dbraw/zinc/29/87/81/484298781.db2.gz ZIGHMNNUOZIUPU-STQMWFEESA-N 0 3 371.463 -0.980 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000647824597 484298775 /nfs/dbraw/zinc/29/87/75/484298775.db2.gz ZIGHMNNUOZIUPU-STQMWFEESA-N 0 3 371.463 -0.980 20 0 FBADHN CN1CCN(CC2CN(C(=O)CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000647825409 484297692 /nfs/dbraw/zinc/29/76/92/484297692.db2.gz VVAUNZSGJUFGHW-UHFFFAOYSA-N 0 3 372.517 -0.091 20 0 FBADHN CCC1(CC)NC(=O)N(CC(=O)N2CC(CN3CCN(C)CC3)C2)C1=O ZINC000647826035 484299580 /nfs/dbraw/zinc/29/95/80/484299580.db2.gz SRWMZRXXOJOKJJ-UHFFFAOYSA-N 0 3 365.478 -0.197 20 0 FBADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)CCC[NH3+])s1 ZINC000647830468 484298302 /nfs/dbraw/zinc/29/83/02/484298302.db2.gz KEVGBDHGDFCOOL-UHFFFAOYSA-N 0 3 362.477 -0.530 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCNCC1(C)C ZINC000647840858 484300462 /nfs/dbraw/zinc/30/04/62/484300462.db2.gz BXTBOJVEBMDQGR-LLVKDONJSA-N 0 3 357.480 -0.086 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCNCC1(C)C ZINC000647840859 484300906 /nfs/dbraw/zinc/30/09/06/484300906.db2.gz BXTBOJVEBMDQGR-NSHDSACASA-N 0 3 357.480 -0.086 20 0 FBADHN CC1(C)CNCCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647841501 484300169 /nfs/dbraw/zinc/30/01/69/484300169.db2.gz ZFWIJOYTTNGQOJ-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CC1(C)CNCCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647841502 484301089 /nfs/dbraw/zinc/30/10/89/484301089.db2.gz ZFWIJOYTTNGQOJ-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCNCC1(C)C ZINC000647841640 484300052 /nfs/dbraw/zinc/30/00/52/484300052.db2.gz SEBUJDPZDMWKRN-LLVKDONJSA-N 0 3 368.459 -0.337 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCNCC1(C)C ZINC000647841641 484299998 /nfs/dbraw/zinc/29/99/98/484299998.db2.gz SEBUJDPZDMWKRN-NSHDSACASA-N 0 3 368.459 -0.337 20 0 FBADHN CC1(C)CNCCN1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000647851076 484303261 /nfs/dbraw/zinc/30/32/61/484303261.db2.gz KLLYWGSXXVOUBN-CABCVRRESA-N 0 3 373.519 -0.135 20 0 FBADHN CC1(C)CNCCN1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000647851080 484303100 /nfs/dbraw/zinc/30/31/00/484303100.db2.gz KLLYWGSXXVOUBN-GJZGRUSLSA-N 0 3 373.519 -0.135 20 0 FBADHN CC1(C)CNCCN1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000647851082 484302744 /nfs/dbraw/zinc/30/27/44/484302744.db2.gz KLLYWGSXXVOUBN-HUUCEWRRSA-N 0 3 373.519 -0.135 20 0 FBADHN CC1(C)CNCCN1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000647851084 484302031 /nfs/dbraw/zinc/30/20/31/484302031.db2.gz KLLYWGSXXVOUBN-LSDHHAIUSA-N 0 3 373.519 -0.135 20 0 FBADHN CN1CCN(C)[C@@H](CNc2cnc(NC[C@H]3CN(C)CCN3C)cn2)C1 ZINC000647868364 484311101 /nfs/dbraw/zinc/31/11/01/484311101.db2.gz RXQFXHFFKKFAOO-HOTGVXAUSA-N 0 3 362.526 -0.208 20 0 FBADHN CN1CCN(C)[C@H](CNc2cnc(NC[C@@H]3CN(C)CCN3C)cn2)C1 ZINC000647868365 484310174 /nfs/dbraw/zinc/31/01/74/484310174.db2.gz RXQFXHFFKKFAOO-HZPDHXFCSA-N 0 3 362.526 -0.208 20 0 FBADHN CN1CCN(C)[C@H](CNc2cnc(NC[C@H]3CN(C)CCN3C)cn2)C1 ZINC000647868366 484310028 /nfs/dbraw/zinc/31/00/28/484310028.db2.gz RXQFXHFFKKFAOO-IYBDPMFKSA-N 0 3 362.526 -0.208 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000647874427 484312134 /nfs/dbraw/zinc/31/21/34/484312134.db2.gz VKSJIXPOPKVMQC-AWEZNQCLSA-N 0 3 368.459 -0.731 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000647874428 484311812 /nfs/dbraw/zinc/31/18/12/484311812.db2.gz VKSJIXPOPKVMQC-CQSZACIVSA-N 0 3 368.459 -0.731 20 0 FBADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647888432 484379847 /nfs/dbraw/zinc/37/98/47/484379847.db2.gz FRFBBGUCGKTETQ-BXKDBHETSA-N 0 3 367.431 -0.253 20 0 FBADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647888433 484379733 /nfs/dbraw/zinc/37/97/33/484379733.db2.gz FRFBBGUCGKTETQ-CABZTGNLSA-N 0 3 367.431 -0.253 20 0 FBADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647888434 484379181 /nfs/dbraw/zinc/37/91/81/484379181.db2.gz FRFBBGUCGKTETQ-JOYOIKCWSA-N 0 3 367.431 -0.253 20 0 FBADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000647888435 484379360 /nfs/dbraw/zinc/37/93/60/484379360.db2.gz FRFBBGUCGKTETQ-SKDRFNHKSA-N 0 3 367.431 -0.253 20 0 FBADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000647888726 484378452 /nfs/dbraw/zinc/37/84/52/484378452.db2.gz MXPPICAUJCAGID-NOZJJQNGSA-N 0 3 352.416 -0.071 20 0 FBADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000647888727 484377495 /nfs/dbraw/zinc/37/74/95/484377495.db2.gz MXPPICAUJCAGID-RNCFNFMXSA-N 0 3 352.416 -0.071 20 0 FBADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000647888728 484377533 /nfs/dbraw/zinc/37/75/33/484377533.db2.gz 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484578415 /nfs/dbraw/zinc/57/84/15/484578415.db2.gz CNWIHWCSLSRIGS-RDTXWAMCSA-N 0 3 364.446 -0.514 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000649070180 484579250 /nfs/dbraw/zinc/57/92/50/484579250.db2.gz JLTXIWDEECBWKG-NEPJUHHUSA-N 0 3 366.384 -0.172 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000649070181 484578885 /nfs/dbraw/zinc/57/88/85/484578885.db2.gz JLTXIWDEECBWKG-NWDGAFQWSA-N 0 3 366.384 -0.172 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000649070182 484579480 /nfs/dbraw/zinc/57/94/80/484579480.db2.gz JLTXIWDEECBWKG-RYUDHWBXSA-N 0 3 366.384 -0.172 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000649070183 484579516 /nfs/dbraw/zinc/57/95/16/484579516.db2.gz JLTXIWDEECBWKG-VXGBXAGGSA-N 0 3 366.384 -0.172 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000649070192 484579360 /nfs/dbraw/zinc/57/93/60/484579360.db2.gz JTCAVHLJLABAJM-CXAGYDPISA-N 0 3 350.419 -0.822 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000649070193 484579071 /nfs/dbraw/zinc/57/90/71/484579071.db2.gz JTCAVHLJLABAJM-DYVFJYSZSA-N 0 3 350.419 -0.822 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000649070194 484578692 /nfs/dbraw/zinc/57/86/92/484578692.db2.gz JTCAVHLJLABAJM-GUYCJALGSA-N 0 3 350.419 -0.822 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000649070195 484579236 /nfs/dbraw/zinc/57/92/36/484579236.db2.gz JTCAVHLJLABAJM-SUMWQHHRSA-N 0 3 350.419 -0.822 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(C2CCOCC2)nn1 ZINC000649070629 484577810 /nfs/dbraw/zinc/57/78/10/484577810.db2.gz RXTFVUGITDQGCI-GFCCVEGCSA-N 0 3 350.423 -0.178 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(C2CCOCC2)nn1 ZINC000649070630 484577789 /nfs/dbraw/zinc/57/77/89/484577789.db2.gz RXTFVUGITDQGCI-LBPRGKRZSA-N 0 3 350.423 -0.178 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649070905 484580228 /nfs/dbraw/zinc/58/02/28/484580228.db2.gz YNYWJJAPHHFKKD-KBXCAEBGSA-N 0 3 364.446 -0.514 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649070906 484580508 /nfs/dbraw/zinc/58/05/08/484580508.db2.gz YNYWJJAPHHFKKD-KDOFPFPSSA-N 0 3 364.446 -0.514 20 0 FBADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649070907 484580697 /nfs/dbraw/zinc/58/06/97/484580697.db2.gz YNYWJJAPHHFKKD-KSSFIOAISA-N 0 3 364.446 -0.514 20 0 FBADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649070908 484579999 /nfs/dbraw/zinc/57/99/99/484579999.db2.gz YNYWJJAPHHFKKD-RDTXWAMCSA-N 0 3 364.446 -0.514 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000649071380 484580740 /nfs/dbraw/zinc/58/07/40/484580740.db2.gz IZMRUQDGBMZABP-GFCCVEGCSA-N 0 3 350.423 -0.493 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000649071381 484580374 /nfs/dbraw/zinc/58/03/74/484580374.db2.gz IZMRUQDGBMZABP-LBPRGKRZSA-N 0 3 350.423 -0.493 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cn1 ZINC000649071384 484581107 /nfs/dbraw/zinc/58/11/07/484581107.db2.gz JBSKIGCMZAVQCV-LLVKDONJSA-N 0 3 369.447 -0.818 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cn1 ZINC000649071385 484581073 /nfs/dbraw/zinc/58/10/73/484581073.db2.gz JBSKIGCMZAVQCV-NSHDSACASA-N 0 3 369.447 -0.818 20 0 FBADHN COc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1-n1cnnn1 ZINC000649071554 484580999 /nfs/dbraw/zinc/58/09/99/484580999.db2.gz MUQMNVSMHZBWJN-GFCCVEGCSA-N 0 3 373.417 -0.137 20 0 FBADHN COc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1-n1cnnn1 ZINC000649071555 484580283 /nfs/dbraw/zinc/58/02/83/484580283.db2.gz MUQMNVSMHZBWJN-LBPRGKRZSA-N 0 3 373.417 -0.137 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000649071850 484580250 /nfs/dbraw/zinc/58/02/50/484580250.db2.gz TYACLSVFGXLPDO-CYBMUJFWSA-N 0 3 374.445 -0.790 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000649071851 484579971 /nfs/dbraw/zinc/57/99/71/484579971.db2.gz TYACLSVFGXLPDO-ZDUSSCGKSA-N 0 3 374.445 -0.790 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000649072058 484580578 /nfs/dbraw/zinc/58/05/78/484580578.db2.gz YHAIVRGVJUGWQE-CYBMUJFWSA-N 0 3 372.429 -0.237 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000649072059 484581155 /nfs/dbraw/zinc/58/11/55/484581155.db2.gz YHAIVRGVJUGWQE-ZDUSSCGKSA-N 0 3 372.429 -0.237 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000649072460 484580610 /nfs/dbraw/zinc/58/06/10/484580610.db2.gz DPLPQDXFCFWBSJ-CYBMUJFWSA-N 0 3 362.430 -0.371 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000649072464 484580267 /nfs/dbraw/zinc/58/02/67/484580267.db2.gz DPLPQDXFCFWBSJ-ZDUSSCGKSA-N 0 3 362.430 -0.371 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000649072472 484580211 /nfs/dbraw/zinc/58/02/11/484580211.db2.gz DRVCZNBUVHLZSP-BDJLRTHQSA-N 0 3 353.423 -0.667 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000649072479 484580879 /nfs/dbraw/zinc/58/08/79/484580879.db2.gz DRVCZNBUVHLZSP-BZNIZROVSA-N 0 3 353.423 -0.667 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000649072481 484580039 /nfs/dbraw/zinc/58/00/39/484580039.db2.gz DRVCZNBUVHLZSP-MEDUHNTESA-N 0 3 353.423 -0.667 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000649072483 484580774 /nfs/dbraw/zinc/58/07/74/484580774.db2.gz DRVCZNBUVHLZSP-ZBEGNZNMSA-N 0 3 353.423 -0.667 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000649072577 484581171 /nfs/dbraw/zinc/58/11/71/484581171.db2.gz FHAHJZLFCFYNNQ-JTQLQIEISA-N 0 3 372.422 -0.335 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000649072578 484580849 /nfs/dbraw/zinc/58/08/49/484580849.db2.gz FHAHJZLFCFYNNQ-SNVBAGLBSA-N 0 3 372.422 -0.335 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000649072581 484580836 /nfs/dbraw/zinc/58/08/36/484580836.db2.gz FIGADNSVBWALKZ-LLVKDONJSA-N 0 3 372.447 -0.278 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000649072582 484580976 /nfs/dbraw/zinc/58/09/76/484580976.db2.gz FIGADNSVBWALKZ-NSHDSACASA-N 0 3 372.447 -0.278 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000649072595 484580240 /nfs/dbraw/zinc/58/02/40/484580240.db2.gz FVGHDJRFKICEGN-JTQLQIEISA-N 0 3 359.390 -0.980 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000649072596 484580532 /nfs/dbraw/zinc/58/05/32/484580532.db2.gz FVGHDJRFKICEGN-SNVBAGLBSA-N 0 3 359.390 -0.980 20 0 FBADHN CC(C)[C@@H](C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)N1CCCS1(=O)=O ZINC000649072801 484579958 /nfs/dbraw/zinc/57/99/58/484579958.db2.gz JAMWLKHZOJBPKR-KBPBESRZSA-N 0 3 374.507 -0.375 20 0 FBADHN CC(C)[C@@H](C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)N1CCCS1(=O)=O ZINC000649072802 484580710 /nfs/dbraw/zinc/58/07/10/484580710.db2.gz JAMWLKHZOJBPKR-KGLIPLIRSA-N 0 3 374.507 -0.375 20 0 FBADHN CC(C)[C@H](C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)N1CCCS1(=O)=O ZINC000649072803 484580475 /nfs/dbraw/zinc/58/04/75/484580475.db2.gz JAMWLKHZOJBPKR-UONOGXRCSA-N 0 3 374.507 -0.375 20 0 FBADHN CC(C)[C@H](C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)N1CCCS1(=O)=O ZINC000649072804 484580258 /nfs/dbraw/zinc/58/02/58/484580258.db2.gz JAMWLKHZOJBPKR-ZIAGYGMSSA-N 0 3 374.507 -0.375 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000649073073 484580029 /nfs/dbraw/zinc/58/00/29/484580029.db2.gz NYTFARVVLQGUCU-NEPJUHHUSA-N 0 3 362.496 -0.471 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000649073074 484580293 /nfs/dbraw/zinc/58/02/93/484580293.db2.gz NYTFARVVLQGUCU-NWDGAFQWSA-N 0 3 362.496 -0.471 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000649073075 484580305 /nfs/dbraw/zinc/58/03/05/484580305.db2.gz NYTFARVVLQGUCU-RYUDHWBXSA-N 0 3 362.496 -0.471 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000649073076 484580621 /nfs/dbraw/zinc/58/06/21/484580621.db2.gz NYTFARVVLQGUCU-VXGBXAGGSA-N 0 3 362.496 -0.471 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000649073077 484580357 /nfs/dbraw/zinc/58/03/57/484580357.db2.gz NZZSMWKVOLKDAJ-GFCCVEGCSA-N 0 3 368.459 -0.166 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000649073078 484581140 /nfs/dbraw/zinc/58/11/40/484581140.db2.gz NZZSMWKVOLKDAJ-LBPRGKRZSA-N 0 3 368.459 -0.166 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC(=O)N1CCC(O)CC1 ZINC000649073439 484580011 /nfs/dbraw/zinc/58/00/11/484580011.db2.gz XEZUEAVHKMXSQO-CYBMUJFWSA-N 0 3 354.451 -0.672 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC(=O)N1CCC(O)CC1 ZINC000649073440 484580197 /nfs/dbraw/zinc/58/01/97/484580197.db2.gz XEZUEAVHKMXSQO-ZDUSSCGKSA-N 0 3 354.451 -0.672 20 0 FBADHN Cc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cccc1S(N)(=O)=O ZINC000649073541 484581092 /nfs/dbraw/zinc/58/10/92/484581092.db2.gz ZRFGTHGYRWGABV-GFCCVEGCSA-N 0 3 368.459 -0.166 20 0 FBADHN Cc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cccc1S(N)(=O)=O ZINC000649073542 484580563 /nfs/dbraw/zinc/58/05/63/484580563.db2.gz ZRFGTHGYRWGABV-LBPRGKRZSA-N 0 3 368.459 -0.166 20 0 FBADHN Cc1cc(O)cc(=O)n1CCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649074139 484580424 /nfs/dbraw/zinc/58/04/24/484580424.db2.gz BXRMAUPRNXBPLR-CYBMUJFWSA-N 0 3 350.419 -0.169 20 0 FBADHN Cc1cc(O)cc(=O)n1CCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649074140 484580338 /nfs/dbraw/zinc/58/03/38/484580338.db2.gz BXRMAUPRNXBPLR-ZDUSSCGKSA-N 0 3 350.419 -0.169 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000649074343 484580952 /nfs/dbraw/zinc/58/09/52/484580952.db2.gz GOYMSSCTYQJOMM-JTQLQIEISA-N 0 3 374.488 -0.152 20 0 FBADHN CNS(=O)(=O)c1csc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000649074344 484580758 /nfs/dbraw/zinc/58/07/58/484580758.db2.gz GOYMSSCTYQJOMM-SNVBAGLBSA-N 0 3 374.488 -0.152 20 0 FBADHN Cc1oc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1S(N)(=O)=O ZINC000649074573 484578841 /nfs/dbraw/zinc/57/88/41/484578841.db2.gz LUCMGFLMMUZYFW-SECBINFHSA-N 0 3 358.420 -0.573 20 0 FBADHN Cc1oc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1S(N)(=O)=O ZINC000649074574 484579180 /nfs/dbraw/zinc/57/91/80/484579180.db2.gz LUCMGFLMMUZYFW-VIFPVBQESA-N 0 3 358.420 -0.573 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC000649074743 484579219 /nfs/dbraw/zinc/57/92/19/484579219.db2.gz OVCLBDNZVZPBFA-CYBMUJFWSA-N 0 3 357.418 -0.087 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC000649074744 484579375 /nfs/dbraw/zinc/57/93/75/484579375.db2.gz OVCLBDNZVZPBFA-ZDUSSCGKSA-N 0 3 357.418 -0.087 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000649074809 484578549 /nfs/dbraw/zinc/57/85/49/484578549.db2.gz PYNOFIJVZCAJOU-LLVKDONJSA-N 0 3 372.447 -0.479 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000649074810 484579017 /nfs/dbraw/zinc/57/90/17/484579017.db2.gz PYNOFIJVZCAJOU-NSHDSACASA-N 0 3 372.447 -0.479 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000649075313 484580088 /nfs/dbraw/zinc/58/00/88/484580088.db2.gz ALAOMWSXFCNDIN-GFCCVEGCSA-N 0 3 368.459 -0.333 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000649075314 484579946 /nfs/dbraw/zinc/57/99/46/484579946.db2.gz ALAOMWSXFCNDIN-LBPRGKRZSA-N 0 3 368.459 -0.333 20 0 FBADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649075655 484580385 /nfs/dbraw/zinc/58/03/85/484580385.db2.gz ILNYYSGJWIOILT-GFCCVEGCSA-N 0 3 360.418 -0.548 20 0 FBADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649075656 484580078 /nfs/dbraw/zinc/58/00/78/484580078.db2.gz ILNYYSGJWIOILT-LBPRGKRZSA-N 0 3 360.418 -0.548 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000649075733 484580799 /nfs/dbraw/zinc/58/07/99/484580799.db2.gz JFVRGPSCZVCXIU-GFCCVEGCSA-N 0 3 368.459 -0.545 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000649075734 484581027 /nfs/dbraw/zinc/58/10/27/484581027.db2.gz JFVRGPSCZVCXIU-LBPRGKRZSA-N 0 3 368.459 -0.545 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000649075865 484581779 /nfs/dbraw/zinc/58/17/79/484581779.db2.gz LQPTVTADOXMTET-DLGFLZQMSA-N 0 3 365.434 -0.667 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000649075866 484582406 /nfs/dbraw/zinc/58/24/06/484582406.db2.gz LQPTVTADOXMTET-ZBFVHZJFSA-N 0 3 365.434 -0.667 20 0 FBADHN Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1S(N)(=O)=O ZINC000649076179 484582614 /nfs/dbraw/zinc/58/26/14/484582614.db2.gz RJWDYDMOUFVGFK-GFCCVEGCSA-N 0 3 368.459 -0.166 20 0 FBADHN Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1S(N)(=O)=O ZINC000649076180 484581592 /nfs/dbraw/zinc/58/15/92/484581592.db2.gz RJWDYDMOUFVGFK-LBPRGKRZSA-N 0 3 368.459 -0.166 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000649076381 484584179 /nfs/dbraw/zinc/58/41/79/484584179.db2.gz WUWTUKZSVNQNAK-INIZCTEOSA-N 0 3 374.489 -0.218 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000649076382 484583431 /nfs/dbraw/zinc/58/34/31/484583431.db2.gz WUWTUKZSVNQNAK-MRXNPFEDSA-N 0 3 374.489 -0.218 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000649076912 484583775 /nfs/dbraw/zinc/58/37/75/484583775.db2.gz GNPFAMQEHRFWLY-SECBINFHSA-N 0 3 360.461 -0.413 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000649076913 484583937 /nfs/dbraw/zinc/58/39/37/484583937.db2.gz GNPFAMQEHRFWLY-VIFPVBQESA-N 0 3 360.461 -0.413 20 0 FBADHN Cc1nnc(CN(C)CC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1C ZINC000649077054 484581634 /nfs/dbraw/zinc/58/16/34/484581634.db2.gz KFNVDHJESIWTQY-GFCCVEGCSA-N 0 3 351.455 -0.866 20 0 FBADHN Cc1nnc(CN(C)CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n1C ZINC000649077055 484582168 /nfs/dbraw/zinc/58/21/68/484582168.db2.gz KFNVDHJESIWTQY-LBPRGKRZSA-N 0 3 351.455 -0.866 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)n1cccn1 ZINC000649077172 484582452 /nfs/dbraw/zinc/58/24/52/484582452.db2.gz NEAZAYCIOFZNPZ-KBPBESRZSA-N 0 3 364.450 -0.519 20 0 FBADHN C[C@@H](C(=O)N(C)CC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)n1cccn1 ZINC000649077173 484582054 /nfs/dbraw/zinc/58/20/54/484582054.db2.gz NEAZAYCIOFZNPZ-KGLIPLIRSA-N 0 3 364.450 -0.519 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)n1cccn1 ZINC000649077174 484582127 /nfs/dbraw/zinc/58/21/27/484582127.db2.gz NEAZAYCIOFZNPZ-UONOGXRCSA-N 0 3 364.450 -0.519 20 0 FBADHN C[C@H](C(=O)N(C)CC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)n1cccn1 ZINC000649077175 484582523 /nfs/dbraw/zinc/58/25/23/484582523.db2.gz NEAZAYCIOFZNPZ-ZIAGYGMSSA-N 0 3 364.450 -0.519 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000649077242 484582383 /nfs/dbraw/zinc/58/23/83/484582383.db2.gz OWCDECFQGFTXKC-GFCCVEGCSA-N 0 3 368.459 -0.333 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000649077243 484582085 /nfs/dbraw/zinc/58/20/85/484582085.db2.gz OWCDECFQGFTXKC-LBPRGKRZSA-N 0 3 368.459 -0.333 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000649077410 484584113 /nfs/dbraw/zinc/58/41/13/484584113.db2.gz RQVARARUWGWTDS-LLVKDONJSA-N 0 3 360.422 -0.633 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000649077411 484583133 /nfs/dbraw/zinc/58/31/33/484583133.db2.gz RQVARARUWGWTDS-NSHDSACASA-N 0 3 360.422 -0.633 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000649077434 484584079 /nfs/dbraw/zinc/58/40/79/484584079.db2.gz RYMCVHJAGFSNEJ-AWEZNQCLSA-N 0 3 374.507 -0.229 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000649077435 484583536 /nfs/dbraw/zinc/58/35/36/484583536.db2.gz RYMCVHJAGFSNEJ-CQSZACIVSA-N 0 3 374.507 -0.229 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)NCc1ccco1 ZINC000649077490 484584024 /nfs/dbraw/zinc/58/40/24/484584024.db2.gz SWLNHISMZARQLX-GFCCVEGCSA-N 0 3 351.407 -0.343 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)NCc1ccco1 ZINC000649077491 484583219 /nfs/dbraw/zinc/58/32/19/484583219.db2.gz SWLNHISMZARQLX-LBPRGKRZSA-N 0 3 351.407 -0.343 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000649077496 484583602 /nfs/dbraw/zinc/58/36/02/484583602.db2.gz TVHHEXQPEIFOBU-KBPBESRZSA-N 0 3 374.507 -0.374 20 0 FBADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000649077497 484583961 /nfs/dbraw/zinc/58/39/61/484583961.db2.gz TVHHEXQPEIFOBU-KGLIPLIRSA-N 0 3 374.507 -0.374 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000649077498 484583353 /nfs/dbraw/zinc/58/33/53/484583353.db2.gz TVHHEXQPEIFOBU-UONOGXRCSA-N 0 3 374.507 -0.374 20 0 FBADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000649077499 484584132 /nfs/dbraw/zinc/58/41/32/484584132.db2.gz TVHHEXQPEIFOBU-ZIAGYGMSSA-N 0 3 374.507 -0.374 20 0 FBADHN COCCn1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1=O ZINC000649077564 484583449 /nfs/dbraw/zinc/58/34/49/484583449.db2.gz VFABFUIKIRMXPD-CYBMUJFWSA-N 0 3 350.419 -0.313 20 0 FBADHN COCCn1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1=O ZINC000649077565 484583383 /nfs/dbraw/zinc/58/33/83/484583383.db2.gz VFABFUIKIRMXPD-ZDUSSCGKSA-N 0 3 350.419 -0.313 20 0 FBADHN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649077588 484585224 /nfs/dbraw/zinc/58/52/24/484585224.db2.gz VUFZTONDAWYTNP-JTQLQIEISA-N 0 3 374.488 -0.104 20 0 FBADHN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649077589 484584973 /nfs/dbraw/zinc/58/49/73/484584973.db2.gz VUFZTONDAWYTNP-SNVBAGLBSA-N 0 3 374.488 -0.104 20 0 FBADHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649078092 484583839 /nfs/dbraw/zinc/58/38/39/484583839.db2.gz AEVCOWNNAIHDKQ-KBPBESRZSA-N 0 3 374.507 -0.231 20 0 FBADHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649078093 484583081 /nfs/dbraw/zinc/58/30/81/484583081.db2.gz AEVCOWNNAIHDKQ-KGLIPLIRSA-N 0 3 374.507 -0.231 20 0 FBADHN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649078094 484584157 /nfs/dbraw/zinc/58/41/57/484584157.db2.gz AEVCOWNNAIHDKQ-UONOGXRCSA-N 0 3 374.507 -0.231 20 0 FBADHN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649078095 484583829 /nfs/dbraw/zinc/58/38/29/484583829.db2.gz AEVCOWNNAIHDKQ-ZIAGYGMSSA-N 0 3 374.507 -0.231 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000649078144 484583697 /nfs/dbraw/zinc/58/36/97/484583697.db2.gz BIWBOPPELJFLOL-CYBMUJFWSA-N 0 3 353.467 -0.042 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000649078145 484583114 /nfs/dbraw/zinc/58/31/14/484583114.db2.gz BIWBOPPELJFLOL-ZDUSSCGKSA-N 0 3 353.467 -0.042 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000649078202 484583346 /nfs/dbraw/zinc/58/33/46/484583346.db2.gz CMBITXYSDWSJMR-CYBMUJFWSA-N 0 3 359.430 -0.082 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000649078203 484584041 /nfs/dbraw/zinc/58/40/41/484584041.db2.gz CMBITXYSDWSJMR-ZDUSSCGKSA-N 0 3 359.430 -0.082 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000649078294 484584065 /nfs/dbraw/zinc/58/40/65/484584065.db2.gz FQJBTMSIYCNBFZ-CYBMUJFWSA-N 0 3 357.418 -0.082 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000649078295 484583805 /nfs/dbraw/zinc/58/38/05/484583805.db2.gz FQJBTMSIYCNBFZ-ZDUSSCGKSA-N 0 3 357.418 -0.082 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000649078310 484583184 /nfs/dbraw/zinc/58/31/84/484583184.db2.gz FXSORYNOIHYUOI-LLVKDONJSA-N 0 3 371.463 -0.543 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000649078311 484583270 /nfs/dbraw/zinc/58/32/70/484583270.db2.gz FXSORYNOIHYUOI-NSHDSACASA-N 0 3 371.463 -0.543 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000649078326 484583614 /nfs/dbraw/zinc/58/36/14/484583614.db2.gz GIBFCQUYPPVLFL-CYBMUJFWSA-N 0 3 357.418 -0.217 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000649078327 484583170 /nfs/dbraw/zinc/58/31/70/484583170.db2.gz GIBFCQUYPPVLFL-ZDUSSCGKSA-N 0 3 357.418 -0.217 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000649078456 484583737 /nfs/dbraw/zinc/58/37/37/484583737.db2.gz JOFZBAQWUJUYBH-SECBINFHSA-N 0 3 360.461 -0.413 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000649078457 484583686 /nfs/dbraw/zinc/58/36/86/484583686.db2.gz JOFZBAQWUJUYBH-VIFPVBQESA-N 0 3 360.461 -0.413 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000649078474 484583627 /nfs/dbraw/zinc/58/36/27/484583627.db2.gz KEGBUKCGWKENFD-JTQLQIEISA-N 0 3 359.386 -0.592 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000649078475 484583921 /nfs/dbraw/zinc/58/39/21/484583921.db2.gz KEGBUKCGWKENFD-SNVBAGLBSA-N 0 3 359.386 -0.592 20 0 FBADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649078514 484585054 /nfs/dbraw/zinc/58/50/54/484585054.db2.gz KTVBHUNSCZSDIZ-SECBINFHSA-N 0 3 372.447 -0.264 20 0 FBADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649078515 484585714 /nfs/dbraw/zinc/58/57/14/484585714.db2.gz KTVBHUNSCZSDIZ-VIFPVBQESA-N 0 3 372.447 -0.264 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000649078694 484585504 /nfs/dbraw/zinc/58/55/04/484585504.db2.gz OFGCTVCBVODBHD-GFCCVEGCSA-N 0 3 360.480 -0.764 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000649078695 484585135 /nfs/dbraw/zinc/58/51/35/484585135.db2.gz OFGCTVCBVODBHD-LBPRGKRZSA-N 0 3 360.480 -0.764 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000649078706 484585576 /nfs/dbraw/zinc/58/55/76/484585576.db2.gz OLYJUBWLYHZXRZ-LLVKDONJSA-N 0 3 372.447 -0.278 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000649078707 484585089 /nfs/dbraw/zinc/58/50/89/484585089.db2.gz OLYJUBWLYHZXRZ-NSHDSACASA-N 0 3 372.447 -0.278 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000649078786 484585598 /nfs/dbraw/zinc/58/55/98/484585598.db2.gz QQFPTMZPYPRAFV-CHWSQXEVSA-N 0 3 360.480 -0.621 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000649078787 484584838 /nfs/dbraw/zinc/58/48/38/484584838.db2.gz QQFPTMZPYPRAFV-OLZOCXBDSA-N 0 3 360.480 -0.621 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000649078788 484585433 /nfs/dbraw/zinc/58/54/33/484585433.db2.gz QQFPTMZPYPRAFV-QWHCGFSZSA-N 0 3 360.480 -0.621 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000649078789 484585648 /nfs/dbraw/zinc/58/56/48/484585648.db2.gz QQFPTMZPYPRAFV-STQMWFEESA-N 0 3 360.480 -0.621 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000649078816 484585241 /nfs/dbraw/zinc/58/52/41/484585241.db2.gz RCNGFHQNWSUYDM-JTQLQIEISA-N 0 3 374.488 -0.484 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000649078817 484585685 /nfs/dbraw/zinc/58/56/85/484585685.db2.gz RCNGFHQNWSUYDM-SNVBAGLBSA-N 0 3 374.488 -0.484 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000649078864 484584855 /nfs/dbraw/zinc/58/48/55/484584855.db2.gz SHERITQJTYVQPW-APPDUMDISA-N 0 3 365.434 -0.715 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000649078865 484584893 /nfs/dbraw/zinc/58/48/93/484584893.db2.gz SHERITQJTYVQPW-DIFFPNOSSA-N 0 3 365.434 -0.715 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000649078866 484584999 /nfs/dbraw/zinc/58/49/99/484584999.db2.gz SHERITQJTYVQPW-GTNSWQLSSA-N 0 3 365.434 -0.715 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000649078867 484584955 /nfs/dbraw/zinc/58/49/55/484584955.db2.gz SHERITQJTYVQPW-PIGZYNQJSA-N 0 3 365.434 -0.715 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000649078894 484585274 /nfs/dbraw/zinc/58/52/74/484585274.db2.gz 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CS(=O)(=O)C1(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCNCC1 ZINC000649279034 484789673 /nfs/dbraw/zinc/78/96/73/484789673.db2.gz RLBPKGPKQPHABK-AWEZNQCLSA-N 0 3 359.492 -0.524 20 0 FBADHN CS(=O)(=O)C1(C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCNCC1 ZINC000649279035 484790068 /nfs/dbraw/zinc/79/00/68/484790068.db2.gz RLBPKGPKQPHABK-CQSZACIVSA-N 0 3 359.492 -0.524 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000649280382 484793817 /nfs/dbraw/zinc/79/38/17/484793817.db2.gz KFCIXOAUOZUANE-HNNXBMFYSA-N 0 3 365.478 -0.907 20 0 FBADHN O=C(CN1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1)N1CCOCC1 ZINC000649280471 484792997 /nfs/dbraw/zinc/79/29/97/484792997.db2.gz YDQXCMKXHIIPMG-CYBMUJFWSA-N 0 3 360.405 -0.766 20 0 FBADHN O=C(CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1)N1CCOCC1 ZINC000649280472 484793571 /nfs/dbraw/zinc/79/35/71/484793571.db2.gz YDQXCMKXHIIPMG-ZDUSSCGKSA-N 0 3 360.405 -0.766 20 0 FBADHN CC1(OCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CNC1 ZINC000649281982 484801675 /nfs/dbraw/zinc/80/16/75/484801675.db2.gz 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ZINC000649284081 484806050 /nfs/dbraw/zinc/80/60/50/484806050.db2.gz IOYDRTCXRYDSGS-ZDUSSCGKSA-N 0 3 360.405 -0.766 20 0 FBADHN CC1(OCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CNC1 ZINC000649284142 484805751 /nfs/dbraw/zinc/80/57/51/484805751.db2.gz QQJUJXCGTADCGJ-UHFFFAOYSA-N 0 3 360.458 -0.175 20 0 FBADHN CC1(OCC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CNC1 ZINC000649287378 484811016 /nfs/dbraw/zinc/81/10/16/484811016.db2.gz AAPXMNUBSOEFMO-UHFFFAOYSA-N 0 3 368.459 -0.639 20 0 FBADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649294023 484830890 /nfs/dbraw/zinc/83/08/90/484830890.db2.gz ZLMDMEHZNWZCMD-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649294024 484832057 /nfs/dbraw/zinc/83/20/57/484832057.db2.gz ZLMDMEHZNWZCMD-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N2CCC(CN3CCOCC3)CC2)C1=O ZINC000649294451 484831181 /nfs/dbraw/zinc/83/11/81/484831181.db2.gz VYJGAVUNCOADIO-INIZCTEOSA-N 0 3 352.479 -0.103 20 0 FBADHN N[C@@H]1CCCCN(CC(=O)N2CCC(CN3CCOCC3)CC2)C1=O ZINC000649294452 484832318 /nfs/dbraw/zinc/83/23/18/484832318.db2.gz VYJGAVUNCOADIO-MRXNPFEDSA-N 0 3 352.479 -0.103 20 0 FBADHN CC[C@@H](C)[C@@H](NC(=O)COC1(C)CNC1)C(=O)NCCN1CCOCC1 ZINC000649301279 484841061 /nfs/dbraw/zinc/84/10/61/484841061.db2.gz RQBAICJQZBFLCW-GDBMZVCRSA-N 0 3 370.494 -0.656 20 0 FBADHN CC[C@H](C)[C@@H](NC(=O)COC1(C)CNC1)C(=O)NCCN1CCOCC1 ZINC000649301280 484841462 /nfs/dbraw/zinc/84/14/62/484841462.db2.gz RQBAICJQZBFLCW-GOEBONIOSA-N 0 3 370.494 -0.656 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)COC1(C)CNC1)C(=O)NCCN1CCOCC1 ZINC000649301281 484841024 /nfs/dbraw/zinc/84/10/24/484841024.db2.gz RQBAICJQZBFLCW-HOCLYGCPSA-N 0 3 370.494 -0.656 20 0 FBADHN CC[C@@H](C)[C@H](NC(=O)COC1(C)CNC1)C(=O)NCCN1CCOCC1 ZINC000649301282 484841158 /nfs/dbraw/zinc/84/11/58/484841158.db2.gz RQBAICJQZBFLCW-ZBFHGGJFSA-N 0 3 370.494 -0.656 20 0 FBADHN CC[C@H](C)[C@H](NC(=O)[C@@H]1NCC1(C)C)C(=O)NCCN1CCOCC1 ZINC000649301352 484840797 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Cc1c(C(=O)N2CCN(CCN(C)C)C(=O)C2)cnn1-c1ccc(=O)[nH]n1 ZINC000652736928 483801717 /nfs/dbraw/zinc/80/17/17/483801717.db2.gz UCGRKIHDEGAQSX-UHFFFAOYSA-N 0 3 373.417 -0.478 20 0 FBADHN CN(C)CCN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1=O ZINC000652736961 483801868 /nfs/dbraw/zinc/80/18/68/483801868.db2.gz VCAKMXYFWHPYDA-UHFFFAOYSA-N 0 3 350.394 -0.212 20 0 FBADHN COc1ccc(C(=O)NCC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC000652736962 483801959 /nfs/dbraw/zinc/80/19/59/483801959.db2.gz VEIUNNYZSDFWBU-UHFFFAOYSA-N 0 3 362.430 -0.343 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1=O ZINC000652737066 483802127 /nfs/dbraw/zinc/80/21/27/483802127.db2.gz YFNNNDTWPXGPHI-UHFFFAOYSA-N 0 3 368.459 -0.096 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCn3c(CC4CC4)nnc3C2)CC1=O ZINC000652751093 483869344 /nfs/dbraw/zinc/86/93/44/483869344.db2.gz NLTNMECIEKWMFB-AWEZNQCLSA-N 0 3 360.462 -0.017 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCn3c(CC4CC4)nnc3C2)CC1=O ZINC000652751094 483869183 /nfs/dbraw/zinc/86/91/83/483869183.db2.gz NLTNMECIEKWMFB-CQSZACIVSA-N 0 3 360.462 -0.017 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H](O)C[C@H]2COC)CC1=O ZINC000652781183 484020407 /nfs/dbraw/zinc/02/04/07/484020407.db2.gz RCPPFUKOZSODIC-FXUDXRNXSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](O)C[C@H]2COC)CC1=O ZINC000652781184 484020416 /nfs/dbraw/zinc/02/04/16/484020416.db2.gz RCPPFUKOZSODIC-LVQVYYBASA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](O)C[C@H]2COC)CC1=O ZINC000652781185 484020264 /nfs/dbraw/zinc/02/02/64/484020264.db2.gz RCPPFUKOZSODIC-XUWVNRHRSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H](O)C[C@H]2COC)CC1=O ZINC000652781186 484020454 /nfs/dbraw/zinc/02/04/54/484020454.db2.gz RCPPFUKOZSODIC-YHUYYLMFSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@]2(O)CCOC2)CC1=O ZINC000652806327 484061818 /nfs/dbraw/zinc/06/18/18/484061818.db2.gz PCGIOMOJOIIDOA-DAYGRLMNSA-N 0 3 353.463 -0.023 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@]2(O)CCOC2)CC1=O ZINC000652806328 484061768 /nfs/dbraw/zinc/06/17/68/484061768.db2.gz PCGIOMOJOIIDOA-HDMKZQKVSA-N 0 3 353.463 -0.023 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@]2(O)CCOC2)CC1=O ZINC000652806329 484062786 /nfs/dbraw/zinc/06/27/86/484062786.db2.gz PCGIOMOJOIIDOA-IIDMSEBBSA-N 0 3 353.463 -0.023 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@]2(O)CCOC2)CC1=O ZINC000652806330 484062497 /nfs/dbraw/zinc/06/24/97/484062497.db2.gz PCGIOMOJOIIDOA-RKVPGOIHSA-N 0 3 353.463 -0.023 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H](O)C[C@@H]2COC)CC1=O ZINC000652823815 484080880 /nfs/dbraw/zinc/08/08/80/484080880.db2.gz RCPPFUKOZSODIC-CAOSSQGBSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2COC)CC1=O ZINC000652823816 484080625 /nfs/dbraw/zinc/08/06/25/484080625.db2.gz RCPPFUKOZSODIC-KLHDSHLOSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2COC)CC1=O ZINC000652823817 484081725 /nfs/dbraw/zinc/08/17/25/484081725.db2.gz RCPPFUKOZSODIC-QKPAOTATSA-N 0 3 353.463 -0.073 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](O)C[C@@H]2COC)CC1=O ZINC000652823818 484080531 /nfs/dbraw/zinc/08/05/31/484080531.db2.gz RCPPFUKOZSODIC-ZJIFWQFVSA-N 0 3 353.463 -0.073 20 0 FBADHN Cn1ccnc(NC(=O)NCC(=O)NCCN2CCCCCC2)c1=O ZINC000652827968 484082508 /nfs/dbraw/zinc/08/25/08/484082508.db2.gz ALASVRWQGWALAJ-UHFFFAOYSA-N 0 3 350.423 -0.106 20 0 FBADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652889084 484488134 /nfs/dbraw/zinc/48/81/34/484488134.db2.gz GMONMSVNHKMKEF-DGCLKSJQSA-N 0 3 357.414 -0.041 20 0 FBADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652889085 484488273 /nfs/dbraw/zinc/48/82/73/484488273.db2.gz GMONMSVNHKMKEF-WCQYABFASA-N 0 3 357.414 -0.041 20 0 FBADHN O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652889112 484488636 /nfs/dbraw/zinc/48/86/36/484488636.db2.gz HSZKLIYQEPBQKM-CYBMUJFWSA-N 0 3 357.414 -0.040 20 0 FBADHN O=C(CCN1CCN(c2ccccn2)CC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652890035 484489176 /nfs/dbraw/zinc/48/91/76/484489176.db2.gz MTXBTYJHNUFCCQ-QGZVFWFLSA-N 0 3 359.474 -0.129 20 0 FBADHN CN1CCN(c2cccc(C(=O)N3CCN(Cc4nnc[nH]4)CC3)n2)CC1 ZINC000652901050 484529770 /nfs/dbraw/zinc/52/97/70/484529770.db2.gz NBVYRZAJRTWWDZ-UHFFFAOYSA-N 0 3 370.461 -0.091 20 0 FBADHN CN1CCN(c2cc(C(=O)N3CCN(Cc4nnc[nH]4)CC3)ccn2)CC1 ZINC000652902709 484546727 /nfs/dbraw/zinc/54/67/27/484546727.db2.gz XHWKZKIWHKXLQG-UHFFFAOYSA-N 0 3 370.461 -0.091 20 0 FBADHN CN1CCN(c2cc(C(=O)N3CCN(Cc4nc[nH]n4)CC3)ccn2)CC1 ZINC000652902709 484546722 /nfs/dbraw/zinc/54/67/22/484546722.db2.gz XHWKZKIWHKXLQG-UHFFFAOYSA-N 0 3 370.461 -0.091 20 0 FBADHN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652908387 483950418 /nfs/dbraw/zinc/95/04/18/483950418.db2.gz BIHZOCOZGGBHMC-CYBMUJFWSA-N 0 3 352.439 -0.211 20 0 FBADHN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652908388 483949348 /nfs/dbraw/zinc/94/93/48/483949348.db2.gz BIHZOCOZGGBHMC-ZDUSSCGKSA-N 0 3 352.439 -0.211 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc(-c3nncnn3)cc2)CC1=O ZINC000652925211 484217701 /nfs/dbraw/zinc/21/77/01/484217701.db2.gz IKCZOZKOQPGUIF-HNNXBMFYSA-N 0 3 369.429 -0.040 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCc2ccc(-c3nncnn3)cc2)CC1=O ZINC000652925212 484216949 /nfs/dbraw/zinc/21/69/49/484216949.db2.gz IKCZOZKOQPGUIF-OAHLLOKOSA-N 0 3 369.429 -0.040 20 0 FBADHN COCCN1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C(C)(C)C1 ZINC000652926312 484219272 /nfs/dbraw/zinc/21/92/72/484219272.db2.gz UUFZNAVKTVVHKE-HNNXBMFYSA-N 0 3 354.495 -0.034 20 0 FBADHN COCCN1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C(C)(C)C1 ZINC000652926313 484219448 /nfs/dbraw/zinc/21/94/48/484219448.db2.gz UUFZNAVKTVVHKE-OAHLLOKOSA-N 0 3 354.495 -0.034 20 0 FBADHN CN(CCN1CCCCC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000652986818 484496031 /nfs/dbraw/zinc/49/60/31/484496031.db2.gz GUHZDSXGXCJUFA-UHFFFAOYSA-N 0 3 362.434 -0.622 20 0 FBADHN CN(CCN1CCCCC1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000652987178 484495946 /nfs/dbraw/zinc/49/59/46/484495946.db2.gz ZOKCFHIIGDCPDN-UHFFFAOYSA-N 0 3 362.434 -0.622 20 0 FBADHN CN(CCN1CCCCC1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000652988224 484496049 /nfs/dbraw/zinc/49/60/49/484496049.db2.gz PYCPZSRJZLLAHG-CABCVRRESA-N 0 3 371.503 -0.034 20 0 FBADHN CN(CCN1CCCCC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000652988225 484495994 /nfs/dbraw/zinc/49/59/94/484495994.db2.gz PYCPZSRJZLLAHG-GJZGRUSLSA-N 0 3 371.503 -0.034 20 0 FBADHN CN(CCN1CCCCC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000652988226 484496191 /nfs/dbraw/zinc/49/61/91/484496191.db2.gz PYCPZSRJZLLAHG-HUUCEWRRSA-N 0 3 371.503 -0.034 20 0 FBADHN CN(CCN1CCCCC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000652988227 484495969 /nfs/dbraw/zinc/49/59/69/484495969.db2.gz PYCPZSRJZLLAHG-LSDHHAIUSA-N 0 3 371.503 -0.034 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N(C)CCN2CCCCC2)cn1C ZINC000652989011 484497013 /nfs/dbraw/zinc/49/70/13/484497013.db2.gz SLULCBGSQVXOHZ-UHFFFAOYSA-N 0 3 357.480 -0.049 20 0 FBADHN CN(CCN1CCCCC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000652990324 484496273 /nfs/dbraw/zinc/49/62/73/484496273.db2.gz PBNJHKHFAQMGJL-UHFFFAOYSA-N 0 3 371.463 -0.664 20 0 FBADHN COCCOCCN1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000652999548 484498239 /nfs/dbraw/zinc/49/82/39/484498239.db2.gz BGJUMBIZTAZIJR-INIZCTEOSA-N 0 3 370.494 -0.796 20 0 FBADHN COCCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000652999549 484498873 /nfs/dbraw/zinc/49/88/73/484498873.db2.gz BGJUMBIZTAZIJR-MRXNPFEDSA-N 0 3 370.494 -0.796 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(CCOCCOC)CC2)CC1 ZINC000652999723 484498726 /nfs/dbraw/zinc/49/87/26/484498726.db2.gz HMNLVYYMKFFKQK-UHFFFAOYSA-N 0 3 356.511 -0.179 20 0 FBADHN CN(C)CCNC(=O)c1ccc(NC(=O)c2nc(N)nc(N(C)C)n2)cc1 ZINC000653016531 484502163 /nfs/dbraw/zinc/50/21/63/484502163.db2.gz YRJUEYJWMUXRCM-UHFFFAOYSA-N 0 3 372.433 -0.106 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)c2nc(N)nc(N(C)C)n2)ccn1 ZINC000653023306 484504583 /nfs/dbraw/zinc/50/45/83/484504583.db2.gz QOOPNXLTBBMMIL-UHFFFAOYSA-N 0 3 360.422 -0.384 20 0 FBADHN CN(C)c1nc(N)nc(C(=O)NC(C)(C)CCN2CCN(C)CC2)n1 ZINC000653024036 484503363 /nfs/dbraw/zinc/50/33/63/484503363.db2.gz FJEQXSYMFOAXOW-UHFFFAOYSA-N 0 3 350.471 -0.504 20 0 FBADHN CN(C)CCOc1cnccc1CNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000653033947 484505756 /nfs/dbraw/zinc/50/57/56/484505756.db2.gz DZJCVCGQJAJJJA-UHFFFAOYSA-N 0 3 360.422 -0.384 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)C(C)(C)CNC(C)=O)CC1=O ZINC000653034049 484505574 /nfs/dbraw/zinc/50/55/74/484505574.db2.gz MFDQGUNIUYPVGE-AWEZNQCLSA-N 0 3 356.467 -0.556 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)C(C)(C)CNC(C)=O)CC1=O ZINC000653034050 484505904 /nfs/dbraw/zinc/50/59/04/484505904.db2.gz MFDQGUNIUYPVGE-CQSZACIVSA-N 0 3 356.467 -0.556 20 0 FBADHN CCn1ccc(CC(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)n1 ZINC000653034153 484506505 /nfs/dbraw/zinc/50/65/05/484506505.db2.gz RZCKPTLLBBVAPM-HNNXBMFYSA-N 0 3 351.451 -0.259 20 0 FBADHN CCn1ccc(CC(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)n1 ZINC000653034154 484506580 /nfs/dbraw/zinc/50/65/80/484506580.db2.gz RZCKPTLLBBVAPM-OAHLLOKOSA-N 0 3 351.451 -0.259 20 0 FBADHN CN(C)CCN1CCN(C(=O)Cn2c3ccccc3c(=O)[nH]c2=O)CC1=O ZINC000653037943 484511685 /nfs/dbraw/zinc/51/16/85/484511685.db2.gz SJJNEJZJVDJIOD-UHFFFAOYSA-N 0 3 373.413 -0.666 20 0 FBADHN O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(N2CCNCC2)cn1 ZINC000653047708 484518498 /nfs/dbraw/zinc/51/84/98/484518498.db2.gz LNGOYHMSWMQSBV-UHFFFAOYSA-N 0 3 357.418 -0.176 20 0 FBADHN Cc1nnnn1-c1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000653054445 484520947 /nfs/dbraw/zinc/52/09/47/484520947.db2.gz UGILEAQEHGOFJL-UHFFFAOYSA-N 0 3 354.378 -0.249 20 0 FBADHN C[C@@]1(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)NC(=O)[N-]C1=O ZINC000653084458 483423717 /nfs/dbraw/zinc/42/37/17/483423717.db2.gz HFMYJZLUSZXEKQ-KKXDTOCCSA-N 0 3 358.398 -0.407 20 0 FBADHN C[C@]1(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)NC(=O)[N-]C1=O ZINC000653084459 483424117 /nfs/dbraw/zinc/42/41/17/483424117.db2.gz HFMYJZLUSZXEKQ-VHSSKADRSA-N 0 3 358.398 -0.407 20 0 FBADHN CCN(CC)CCN(C(=O)[C@@H](N)CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000653147930 483633470 /nfs/dbraw/zinc/63/34/70/483633470.db2.gz GYIQDNAEZFMKOR-CABCVRRESA-N 0 3 362.540 -0.377 20 0 FBADHN CCN(CC)CCN(C(=O)[C@@H](N)CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000653147931 483633711 /nfs/dbraw/zinc/63/37/11/483633711.db2.gz GYIQDNAEZFMKOR-GJZGRUSLSA-N 0 3 362.540 -0.377 20 0 FBADHN CCN(CC)CCN(C(=O)[C@H](N)CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000653147932 483632845 /nfs/dbraw/zinc/63/28/45/483632845.db2.gz GYIQDNAEZFMKOR-HUUCEWRRSA-N 0 3 362.540 -0.377 20 0 FBADHN CCN(CC)CCN(C(=O)[C@H](N)CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000653147933 483633510 /nfs/dbraw/zinc/63/35/10/483633510.db2.gz GYIQDNAEZFMKOR-LSDHHAIUSA-N 0 3 362.540 -0.377 20 0 FBADHN C[NH+](C)CC[C@@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000653161050 483771364 /nfs/dbraw/zinc/77/13/64/483771364.db2.gz AVEWMYUSBQHLCV-GFCCVEGCSA-N 0 3 364.418 -0.362 20 0 FBADHN C[NH+](C)CC[C@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000653161051 483771465 /nfs/dbraw/zinc/77/14/65/483771465.db2.gz AVEWMYUSBQHLCV-LBPRGKRZSA-N 0 3 364.418 -0.362 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)nn1 ZINC000653163863 483829334 /nfs/dbraw/zinc/82/93/34/483829334.db2.gz XEROZFYYGDMMNJ-CYBMUJFWSA-N 0 3 360.422 -0.705 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)nn1 ZINC000653163864 483829279 /nfs/dbraw/zinc/82/92/79/483829279.db2.gz XEROZFYYGDMMNJ-ZDUSSCGKSA-N 0 3 360.422 -0.705 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1C ZINC000653195573 483839330 /nfs/dbraw/zinc/83/93/30/483839330.db2.gz CGTDOEVSKPECTJ-WFASDCNBSA-N 0 3 355.464 -0.406 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1C ZINC000653195609 483839466 /nfs/dbraw/zinc/83/94/66/483839466.db2.gz DEBWMHYFYXPILC-BBRMVZONSA-N 0 3 369.491 -0.016 20 0 FBADHN C[NH2+]Cc1ccccc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000653213420 483840882 /nfs/dbraw/zinc/84/08/82/483840882.db2.gz LNGCTAQNSSFFEJ-UHFFFAOYSA-N 0 3 351.432 -0.266 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000653224084 483841368 /nfs/dbraw/zinc/84/13/68/483841368.db2.gz JMIMGISYHGOMAP-UHFFFAOYSA-N 0 3 355.395 -0.387 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2ccc(C[NH3+])cc2F)cn1C ZINC000653224937 483841126 /nfs/dbraw/zinc/84/11/26/483841126.db2.gz KGQZXDPJKFLJKU-UHFFFAOYSA-N 0 3 369.422 -0.079 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cn1C ZINC000653235717 483843382 /nfs/dbraw/zinc/84/33/82/483843382.db2.gz DOMMGFYXQPUYKL-AAEUAGOBSA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cn1C ZINC000653235718 483843333 /nfs/dbraw/zinc/84/33/33/483843333.db2.gz DOMMGFYXQPUYKL-DGCLKSJQSA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cn1C ZINC000653235719 483843691 /nfs/dbraw/zinc/84/36/91/483843691.db2.gz DOMMGFYXQPUYKL-WCQYABFASA-N 0 3 357.480 -0.017 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1C ZINC000653235720 483843420 /nfs/dbraw/zinc/84/34/20/483843420.db2.gz DOMMGFYXQPUYKL-YPMHNXCESA-N 0 3 357.480 -0.017 20 0 FBADHN CCO[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@H]1C[NH3+] ZINC000653244624 483846895 /nfs/dbraw/zinc/84/68/95/483846895.db2.gz RSMZDPVREBUUFC-CYZMBNFOSA-N 0 3 374.463 -0.220 20 0 FBADHN CCO[C@@H]1CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@H]1C[NH3+] ZINC000653244625 483847100 /nfs/dbraw/zinc/84/71/00/483847100.db2.gz RSMZDPVREBUUFC-RAIGVLPGSA-N 0 3 374.463 -0.220 20 0 FBADHN CCO[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)C[C@H]1C[NH3+] ZINC000653246033 483848896 /nfs/dbraw/zinc/84/88/96/483848896.db2.gz YWEMTLFTHWKEBQ-CHWSQXEVSA-N 0 3 373.479 -0.781 20 0 FBADHN CCO[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)C[C@H]1C[NH3+] ZINC000653248783 483858678 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484024183 /nfs/dbraw/zinc/02/41/83/484024183.db2.gz HNVGNWWOTJTLBA-ZNMIVQPWSA-N 0 3 373.413 -0.280 20 0 FBADHN Cn1cnn(-c2ccc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2)c1=O ZINC000654027272 484025105 /nfs/dbraw/zinc/02/51/05/484025105.db2.gz MXXKYGFDJBDVNK-LSDHHAIUSA-N 0 3 358.402 -0.146 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)nc1 ZINC000654041396 484027762 /nfs/dbraw/zinc/02/77/62/484027762.db2.gz HNUAYAVNSLPODS-WDEREUQCSA-N 0 3 355.420 -0.728 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)nc1 ZINC000654057975 484027985 /nfs/dbraw/zinc/02/79/85/484027985.db2.gz GYLBTLVVUJVNSN-NWDGAFQWSA-N 0 3 369.447 -0.385 20 0 FBADHN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654109095 484034163 /nfs/dbraw/zinc/03/41/63/484034163.db2.gz SSSXLQWOEUGSHK-VHSXEESVSA-N 0 3 372.472 -0.103 20 0 FBADHN Cn1c2ncn(CC(=O)N[C@@H]3CCCN4CCCC[C@H]34)c2c(=O)n(C)c1=O ZINC000654302885 484186870 /nfs/dbraw/zinc/18/68/70/484186870.db2.gz BBKMCLZUZSIQKT-CHWSQXEVSA-N 0 3 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-0.835 20 0 FBADHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654557115 484338387 /nfs/dbraw/zinc/33/83/87/484338387.db2.gz JWOYZKONWXBJTK-RQJABVFESA-N 0 3 360.480 -0.835 20 0 FBADHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654557116 484338903 /nfs/dbraw/zinc/33/89/03/484338903.db2.gz JWOYZKONWXBJTK-XJFOESAGSA-N 0 3 360.480 -0.835 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654562322 484340147 /nfs/dbraw/zinc/34/01/47/484340147.db2.gz ARWXBUJYHUEPTD-HZSPNIEDSA-N 0 3 360.480 -0.739 20 0 FBADHN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654562323 484340177 /nfs/dbraw/zinc/34/01/77/484340177.db2.gz ARWXBUJYHUEPTD-MELADBBJSA-N 0 3 360.480 -0.739 20 0 FBADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654562765 484340354 /nfs/dbraw/zinc/34/03/54/484340354.db2.gz NZHJHXWPRHTVGT-XQQFMLRXSA-N 0 3 366.384 -0.290 20 0 FBADHN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654562766 484339921 /nfs/dbraw/zinc/33/99/21/484339921.db2.gz NZHJHXWPRHTVGT-YNEHKIRRSA-N 0 3 366.384 -0.290 20 0 FBADHN NS(=O)(=O)c1ccccc1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654564851 484341118 /nfs/dbraw/zinc/34/11/18/484341118.db2.gz YJHXFAHUXOAOMT-QWHCGFSZSA-N 0 3 354.432 -0.706 20 0 FBADHN COCCOC1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCOCC1 ZINC000654577797 484343496 /nfs/dbraw/zinc/34/34/96/484343496.db2.gz BXNIBFNHPAXKOI-LSDHHAIUSA-N 0 3 357.451 -0.341 20 0 FBADHN O=C(NCC1(N2CCOCC2)CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654589794 484344316 /nfs/dbraw/zinc/34/43/16/484344316.db2.gz YCANQTUZBQQLAJ-JKSUJKDBSA-N 0 3 368.478 -0.672 20 0 FBADHN CO[C@](C)(CO)CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000654592608 484345336 /nfs/dbraw/zinc/34/53/36/484345336.db2.gz YFMLCMLNAXIFAT-INIZCTEOSA-N 0 3 358.483 -0.520 20 0 FBADHN CO[C@@](C)(CO)CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000654592609 484344573 /nfs/dbraw/zinc/34/45/73/484344573.db2.gz YFMLCMLNAXIFAT-MRXNPFEDSA-N 0 3 358.483 -0.520 20 0 FBADHN O=C(NCc1ccc(-c2nncnn2)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654605429 484347732 /nfs/dbraw/zinc/34/77/32/484347732.db2.gz IGEFHWJIHKKCPG-LSDHHAIUSA-N 0 3 355.402 -0.106 20 0 FBADHN C[C@@H](CNC(=O)N1CCN(CCN(C)C)C(=O)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654655253 484358591 /nfs/dbraw/zinc/35/85/91/484358591.db2.gz FDTOJKMUFRUGGI-HRCADAONSA-N 0 3 369.510 -0.101 20 0 FBADHN C[C@H](CNC(=O)N1CCN(CCN(C)C)C(=O)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654655254 484357604 /nfs/dbraw/zinc/35/76/04/484357604.db2.gz FDTOJKMUFRUGGI-OAGGEKHMSA-N 0 3 369.510 -0.101 20 0 FBADHN Cc1nn(CC(=O)NCCCN2CCN(c3ccncc3)CC2)c(=O)n1C ZINC000654661911 484360418 /nfs/dbraw/zinc/36/04/18/484360418.db2.gz VMGKRDNRRXCSEI-UHFFFAOYSA-N 0 3 373.461 -0.386 20 0 FBADHN CN(C)CCN1CCN(C(=O)NCc2nnn(C(C)(C)C)n2)CC1=O ZINC000654687291 484370011 /nfs/dbraw/zinc/37/00/11/484370011.db2.gz WXHBLNOZZALRFQ-UHFFFAOYSA-N 0 3 352.443 -0.657 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC000654693471 484371780 /nfs/dbraw/zinc/37/17/80/484371780.db2.gz CFBDFPBRRDNQJX-HNNXBMFYSA-N 0 3 372.433 -0.270 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC000654693472 484372028 /nfs/dbraw/zinc/37/20/28/484372028.db2.gz CFBDFPBRRDNQJX-OAHLLOKOSA-N 0 3 372.433 -0.270 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000654709005 484378113 /nfs/dbraw/zinc/37/81/13/484378113.db2.gz QPJYYGMVAGKOEC-UHFFFAOYSA-N 0 3 370.417 -0.563 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000654717033 484377634 /nfs/dbraw/zinc/37/76/34/484377634.db2.gz AENCPEDKUMRHTK-UHFFFAOYSA-N 0 3 372.433 -0.317 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654732651 484380584 /nfs/dbraw/zinc/38/05/84/484380584.db2.gz CWEZBENVKGIDTJ-UHFFFAOYSA-N 0 3 362.540 0.000 20 0 FBADHN Cc1nn(CC(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)c(=O)n1C ZINC000654748972 484384113 /nfs/dbraw/zinc/38/41/13/484384113.db2.gz GLMBJFAFCIBQMB-UHFFFAOYSA-N 0 3 374.445 -0.502 20 0 FBADHN CC(C)Oc1cncc(NC(=O)C(=O)NCCCN2CCN(C)CC2)n1 ZINC000654763376 484390174 /nfs/dbraw/zinc/39/01/74/484390174.db2.gz ANLIQODKMUECSX-UHFFFAOYSA-N 0 3 364.450 -0.044 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cncc(OC(C)C)n2)CC1 ZINC000654765080 484389688 /nfs/dbraw/zinc/38/96/88/484389688.db2.gz QEQZAPSXWPWGJY-UHFFFAOYSA-N 0 3 364.450 -0.044 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000654765133 484389232 /nfs/dbraw/zinc/38/92/32/484389232.db2.gz SYUOBLOWJLEKML-UHFFFAOYSA-N 0 3 372.433 -0.270 20 0 FBADHN Cc1nn(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)c(=O)n1C ZINC000654765362 484389121 /nfs/dbraw/zinc/38/91/21/484389121.db2.gz SODWRBCSEKJVPO-UHFFFAOYSA-N 0 3 350.467 -0.624 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)c3ccnc(S(C)(=O)=O)n3)C2)CC1 ZINC000654775574 484405419 /nfs/dbraw/zinc/40/54/19/484405419.db2.gz PHAVIUYNFOBBSX-GFCCVEGCSA-N 0 3 367.475 -0.222 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)c3ccnc(S(C)(=O)=O)n3)C2)CC1 ZINC000654775575 484405834 /nfs/dbraw/zinc/40/58/34/484405834.db2.gz PHAVIUYNFOBBSX-LBPRGKRZSA-N 0 3 367.475 -0.222 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000654778131 484405873 /nfs/dbraw/zinc/40/58/73/484405873.db2.gz YJYBUDFKHFESIB-KRWDZBQOSA-N 0 3 361.402 -0.300 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000654778132 484405622 /nfs/dbraw/zinc/40/56/22/484405622.db2.gz YJYBUDFKHFESIB-QGZVFWFLSA-N 0 3 361.402 -0.300 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 ZINC000654779805 484407455 /nfs/dbraw/zinc/40/74/55/484407455.db2.gz FSPYZDNBJFAZCN-GFCCVEGCSA-N 0 3 369.491 -0.207 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 ZINC000654779806 484407764 /nfs/dbraw/zinc/40/77/64/484407764.db2.gz FSPYZDNBJFAZCN-LBPRGKRZSA-N 0 3 369.491 -0.207 20 0 FBADHN CCN1CCN(CCNC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000654780394 484407075 /nfs/dbraw/zinc/40/70/75/484407075.db2.gz VWMVNPDSBKDZKB-UHFFFAOYSA-N 0 3 360.524 -0.198 20 0 FBADHN CN1CCCN(CCCNC(=O)c2ccnc(S(C)(=O)=O)n2)CC1 ZINC000654783513 484407224 /nfs/dbraw/zinc/40/72/24/484407224.db2.gz GRNSCSDBPJSJML-UHFFFAOYSA-N 0 3 355.464 -0.363 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)c3ccnc(S(C)(=O)=O)n3)CC2)C1 ZINC000654795285 484421828 /nfs/dbraw/zinc/42/18/28/484421828.db2.gz CVEYINKYNIPCTM-CYBMUJFWSA-N 0 3 367.475 -0.268 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)c3ccnc(S(C)(=O)=O)n3)CC2)C1 ZINC000654795286 484420853 /nfs/dbraw/zinc/42/08/53/484420853.db2.gz CVEYINKYNIPCTM-ZDUSSCGKSA-N 0 3 367.475 -0.268 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)c3ccc(-n4cnnn4)cn3)CC2)C1 ZINC000654795303 484421501 /nfs/dbraw/zinc/42/15/01/484421501.db2.gz DKMMWHXDBPADRY-HNNXBMFYSA-N 0 3 356.434 -0.091 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc(-n4cnnn4)cn3)CC2)C1 ZINC000654795304 484421465 /nfs/dbraw/zinc/42/14/65/484421465.db2.gz DKMMWHXDBPADRY-OAHLLOKOSA-N 0 3 356.434 -0.091 20 0 FBADHN CN(C)CCn1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000654799410 484423438 /nfs/dbraw/zinc/42/34/38/484423438.db2.gz JPHQIANPQYEHCY-INIZCTEOSA-N 0 3 364.494 -0.419 20 0 FBADHN CN(C)CCn1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000654799411 484423714 /nfs/dbraw/zinc/42/37/14/484423714.db2.gz JPHQIANPQYEHCY-MRXNPFEDSA-N 0 3 364.494 -0.419 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NCCCN1CCC(O)CC1 ZINC000654811052 484429012 /nfs/dbraw/zinc/42/90/12/484429012.db2.gz MJIYXDQBVIWTTC-UHFFFAOYSA-N 0 3 356.448 -0.386 20 0 FBADHN Cc1nn(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000654847756 484439348 /nfs/dbraw/zinc/43/93/48/484439348.db2.gz IHUBTEFLBRKLEQ-GOSISDBHSA-N 0 3 359.430 -0.357 20 0 FBADHN Cc1nn(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000654847757 484439387 /nfs/dbraw/zinc/43/93/87/484439387.db2.gz IHUBTEFLBRKLEQ-SFHVURJKSA-N 0 3 359.430 -0.357 20 0 FBADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000654853039 484439778 /nfs/dbraw/zinc/43/97/78/484439778.db2.gz HDVCVFHTEUKVDH-ZFWWWQNUSA-N 0 3 373.450 -0.030 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)n1 ZINC000654855396 484441438 /nfs/dbraw/zinc/44/14/38/484441438.db2.gz BKSJKJGGIVCQQZ-PXAZEXFGSA-N 0 3 362.434 -0.105 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)n1 ZINC000654855397 484441539 /nfs/dbraw/zinc/44/15/39/484441539.db2.gz BKSJKJGGIVCQQZ-SJCJKPOMSA-N 0 3 362.434 -0.105 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)n1 ZINC000654855398 484441065 /nfs/dbraw/zinc/44/10/65/484441065.db2.gz BKSJKJGGIVCQQZ-SJKOYZFVSA-N 0 3 362.434 -0.105 20 0 FBADHN CN(C)CCn1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)n1 ZINC000654855399 484441424 /nfs/dbraw/zinc/44/14/24/484441424.db2.gz BKSJKJGGIVCQQZ-YVEFUNNKSA-N 0 3 362.434 -0.105 20 0 FBADHN CCN1CCC(n2nccc2NC(=O)C(=O)NC[C@@](C)(CO)OC)CC1 ZINC000654866154 484442405 /nfs/dbraw/zinc/44/24/05/484442405.db2.gz IAXXUMZIPXMFAX-KRWDZBQOSA-N 0 3 367.450 -0.008 20 0 FBADHN CCN1CCC(n2nccc2NC(=O)C(=O)NC[C@](C)(CO)OC)CC1 ZINC000654866155 484442945 /nfs/dbraw/zinc/44/29/45/484442945.db2.gz IAXXUMZIPXMFAX-QGZVFWFLSA-N 0 3 367.450 -0.008 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2(C)CC=CC2)cn1 ZINC000654875879 484444529 /nfs/dbraw/zinc/44/45/29/484444529.db2.gz VDMJZFPXPPGJAM-UHFFFAOYSA-N 0 3 362.434 -0.276 20 0 FBADHN CN(C)CCn1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)n1 ZINC000654879275 484446335 /nfs/dbraw/zinc/44/63/35/484446335.db2.gz BNNXJAHCNAAYRK-UHFFFAOYSA-N 0 3 350.452 -0.159 20 0 FBADHN Cc1nn(CC(=O)N2CC[C@H](OCCN3CCCCC3)C2)c(=O)n1C ZINC000654891642 484451477 /nfs/dbraw/zinc/45/14/77/484451477.db2.gz JVRUWJORCWNYMX-HNNXBMFYSA-N 0 3 351.451 -0.006 20 0 FBADHN Cc1nn(CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c(=O)n1C ZINC000654891643 484451329 /nfs/dbraw/zinc/45/13/29/484451329.db2.gz JVRUWJORCWNYMX-OAHLLOKOSA-N 0 3 351.451 -0.006 20 0 FBADHN Cc1nn(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(=O)n1C ZINC000654902105 484453377 /nfs/dbraw/zinc/45/33/77/484453377.db2.gz ZFSBDCYTNRVJFI-MRXNPFEDSA-N 0 3 359.430 -0.574 20 0 FBADHN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654907316 484455478 /nfs/dbraw/zinc/45/54/78/484455478.db2.gz ASMHTQZQMBSTLC-LSDHHAIUSA-N 0 3 356.386 -0.517 20 0 FBADHN O=C(Nc1ccnn1-c1ccncc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654907553 484456753 /nfs/dbraw/zinc/45/67/53/484456753.db2.gz KRPJNXALRLEFRL-UONOGXRCSA-N 0 3 356.386 -0.517 20 0 FBADHN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654907811 484456729 /nfs/dbraw/zinc/45/67/29/484456729.db2.gz YDLVJUAIGSNUJQ-UONOGXRCSA-N 0 3 356.386 -0.517 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000654920824 484463947 /nfs/dbraw/zinc/46/39/47/484463947.db2.gz RDGVOKKESMFOFP-HNNXBMFYSA-N 0 3 370.417 -0.564 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000654920825 484464270 /nfs/dbraw/zinc/46/42/70/484464270.db2.gz RDGVOKKESMFOFP-OAHLLOKOSA-N 0 3 370.417 -0.564 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000654927950 484470633 /nfs/dbraw/zinc/47/06/33/484470633.db2.gz NUAHGTBOIGPRTM-GFCCVEGCSA-N 0 3 356.448 -0.386 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000654927951 484471125 /nfs/dbraw/zinc/47/11/25/484471125.db2.gz NUAHGTBOIGPRTM-LBPRGKRZSA-N 0 3 356.448 -0.386 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654946912 484474067 /nfs/dbraw/zinc/47/40/67/484474067.db2.gz NZMSDTNUJZBWIX-KBPBESRZSA-N 0 3 362.434 -0.299 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654946914 484474187 /nfs/dbraw/zinc/47/41/87/484474187.db2.gz NZMSDTNUJZBWIX-KGLIPLIRSA-N 0 3 362.434 -0.299 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654946916 484474201 /nfs/dbraw/zinc/47/42/01/484474201.db2.gz NZMSDTNUJZBWIX-UONOGXRCSA-N 0 3 362.434 -0.299 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654946918 484473939 /nfs/dbraw/zinc/47/39/39/484473939.db2.gz NZMSDTNUJZBWIX-ZIAGYGMSSA-N 0 3 362.434 -0.299 20 0 FBADHN C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)NC(N)=O ZINC000654950195 484474282 /nfs/dbraw/zinc/47/42/82/484474282.db2.gz LKRCVIFEVKQECN-HIFRSBDPSA-N 0 3 363.462 -0.161 20 0 FBADHN C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)NC(N)=O ZINC000654950196 484474078 /nfs/dbraw/zinc/47/40/78/484474078.db2.gz LKRCVIFEVKQECN-ZFWWWQNUSA-N 0 3 363.462 -0.161 20 0 FBADHN CC(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cn1)C(=O)NCCN(C)C ZINC000654968437 484475400 /nfs/dbraw/zinc/47/54/00/484475400.db2.gz MLKMRKRVNHOHPX-HNNXBMFYSA-N 0 3 374.449 -0.120 20 0 FBADHN Cc1nn(CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c(=O)n1C ZINC000654968747 484475378 /nfs/dbraw/zinc/47/53/78/484475378.db2.gz YZFUNCXWWLOWAX-ZDUSSCGKSA-N 0 3 354.455 -0.901 20 0 FBADHN Cc1nn(CC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c(=O)n1C ZINC000654970299 484475139 /nfs/dbraw/zinc/47/51/39/484475139.db2.gz KXOFKSKJTAJDDB-UHFFFAOYSA-N 0 3 364.494 -0.093 20 0 FBADHN Cc1nn(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(=O)n1C ZINC000654971993 484476290 /nfs/dbraw/zinc/47/62/90/484476290.db2.gz BCPDSOUCIZSANT-DLBZAZTESA-N 0 3 373.457 -0.111 20 0 FBADHN Cc1nn(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(=O)n1C ZINC000654971994 484476671 /nfs/dbraw/zinc/47/66/71/484476671.db2.gz BCPDSOUCIZSANT-IAGOWNOFSA-N 0 3 373.457 -0.111 20 0 FBADHN Cc1nn(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(=O)n1C ZINC000654971995 484476692 /nfs/dbraw/zinc/47/66/92/484476692.db2.gz BCPDSOUCIZSANT-IRXDYDNUSA-N 0 3 373.457 -0.111 20 0 FBADHN Cc1nn(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(=O)n1C ZINC000654971996 484476536 /nfs/dbraw/zinc/47/65/36/484476536.db2.gz BCPDSOUCIZSANT-SJORKVTESA-N 0 3 373.457 -0.111 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1(CCO)CCN(C)CC1 ZINC000654985635 484476752 /nfs/dbraw/zinc/47/67/52/484476752.db2.gz DIIAAQBKALLMBQ-UHFFFAOYSA-N 0 3 356.448 -0.386 20 0 FBADHN Cc1nn(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c(=O)n1C ZINC000654991838 484476072 /nfs/dbraw/zinc/47/60/72/484476072.db2.gz KVCIWDMJPRSARE-INIZCTEOSA-N 0 3 359.430 -0.227 20 0 FBADHN Cc1nn(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c(=O)n1C ZINC000654991839 484476736 /nfs/dbraw/zinc/47/67/36/484476736.db2.gz KVCIWDMJPRSARE-MRXNPFEDSA-N 0 3 359.430 -0.227 20 0 FBADHN Cc1nn(CC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c(=O)n1C ZINC000654998702 484478186 /nfs/dbraw/zinc/47/81/86/484478186.db2.gz OINYPEPSEVXBMO-UHFFFAOYSA-N 0 3 364.494 -0.234 20 0 FBADHN Cc1nn(CC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000655011644 484477899 /nfs/dbraw/zinc/47/78/99/484477899.db2.gz COVRGSVGVQJVDL-IBGZPJMESA-N 0 3 373.457 -0.014 20 0 FBADHN Cc1nn(CC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000655011645 484477623 /nfs/dbraw/zinc/47/76/23/484477623.db2.gz COVRGSVGVQJVDL-LJQANCHMSA-N 0 3 373.457 -0.014 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC(=O)N(C)C(=O)C2)CC1=O ZINC000655062941 484481381 /nfs/dbraw/zinc/48/13/81/484481381.db2.gz FDXOXABRKXVCCO-CHWSQXEVSA-N 0 3 350.419 -0.854 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CC(=O)N(C)C(=O)C2)CC1=O ZINC000655062942 484482240 /nfs/dbraw/zinc/48/22/40/484482240.db2.gz FDXOXABRKXVCCO-OLZOCXBDSA-N 0 3 350.419 -0.854 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC(=O)N(C)C(=O)C2)CC1=O ZINC000655062943 484481427 /nfs/dbraw/zinc/48/14/27/484481427.db2.gz FDXOXABRKXVCCO-QWHCGFSZSA-N 0 3 350.419 -0.854 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CC(=O)N(C)C(=O)C2)CC1=O ZINC000655062944 484481917 /nfs/dbraw/zinc/48/19/17/484481917.db2.gz FDXOXABRKXVCCO-STQMWFEESA-N 0 3 350.419 -0.854 20 0 FBADHN CCN(CC)C(=O)CN1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000655074543 484481502 /nfs/dbraw/zinc/48/15/02/484481502.db2.gz JQMUXAZHLZCNAB-KRWDZBQOSA-N 0 3 365.522 -0.175 20 0 FBADHN CCN(CC)C(=O)CN1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000655074544 484482145 /nfs/dbraw/zinc/48/21/45/484482145.db2.gz JQMUXAZHLZCNAB-QGZVFWFLSA-N 0 3 365.522 -0.175 20 0 FBADHN CCN(CC)C(=O)CN1CCC(NC(=O)CN2CCN(C)CC2)CC1 ZINC000655074548 484482036 /nfs/dbraw/zinc/48/20/36/484482036.db2.gz KANQEHKVKYBCPV-UHFFFAOYSA-N 0 3 353.511 -0.317 20 0 FBADHN CN(CCCNC(=O)NC[C@H]1CCCCN1CCO)S(C)(=O)=O ZINC000655078691 484483352 /nfs/dbraw/zinc/48/33/52/484483352.db2.gz VVNOUISNBBZRGI-CYBMUJFWSA-N 0 3 350.485 -0.586 20 0 FBADHN CN(CCCNC(=O)NC[C@@H]1CCCCN1CCO)S(C)(=O)=O ZINC000655078692 484483070 /nfs/dbraw/zinc/48/30/70/484483070.db2.gz VVNOUISNBBZRGI-ZDUSSCGKSA-N 0 3 350.485 -0.586 20 0 FBADHN C[C@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)NCCN(C)C ZINC000655081014 484483302 /nfs/dbraw/zinc/48/33/02/484483302.db2.gz NEOALYUOQVRWKP-JTQLQIEISA-N 0 3 351.436 -0.416 20 0 FBADHN C[C@@H](NC(=O)Cn1nnnc1-c1ccsc1)C(=O)NCCN(C)C ZINC000655081015 484482987 /nfs/dbraw/zinc/48/29/87/484482987.db2.gz NEOALYUOQVRWKP-SNVBAGLBSA-N 0 3 351.436 -0.416 20 0 FBADHN Cc1c(C(=O)N[C@H](C)C(=O)NCCN(C)C)nnn1Cc1ccncc1 ZINC000655081110 484483518 /nfs/dbraw/zinc/48/35/18/484483518.db2.gz JQZSYGXCNYPCBI-GFCCVEGCSA-N 0 3 359.434 -0.174 20 0 FBADHN Cc1c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)nnn1Cc1ccncc1 ZINC000655081111 484483079 /nfs/dbraw/zinc/48/30/79/484483079.db2.gz JQZSYGXCNYPCBI-LBPRGKRZSA-N 0 3 359.434 -0.174 20 0 FBADHN COc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1OCCO ZINC000655081144 484483170 /nfs/dbraw/zinc/48/31/70/484483170.db2.gz UYIJOXBSXDUPLF-GFCCVEGCSA-N 0 3 353.419 -0.138 20 0 FBADHN COc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1OCCO ZINC000655081145 484482731 /nfs/dbraw/zinc/48/27/31/484482731.db2.gz UYIJOXBSXDUPLF-LBPRGKRZSA-N 0 3 353.419 -0.138 20 0 FBADHN CNC(=O)c1cccc(OCC(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000655081665 484482902 /nfs/dbraw/zinc/48/29/02/484482902.db2.gz ZSCOBPNXGBNFJH-GFCCVEGCSA-N 0 3 350.419 -0.393 20 0 FBADHN CNC(=O)c1cccc(OCC(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000655081666 484482967 /nfs/dbraw/zinc/48/29/67/484482967.db2.gz ZSCOBPNXGBNFJH-LBPRGKRZSA-N 0 3 350.419 -0.393 20 0 FBADHN C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)C(=O)NCCN(C)C ZINC000655081823 484483550 /nfs/dbraw/zinc/48/35/50/484483550.db2.gz KDWWBOPMLYCPNI-LLVKDONJSA-N 0 3 374.438 -0.714 20 0 FBADHN C[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)C(=O)NCCN(C)C ZINC000655081824 484483267 /nfs/dbraw/zinc/48/32/67/484483267.db2.gz KDWWBOPMLYCPNI-NSHDSACASA-N 0 3 374.438 -0.714 20 0 FBADHN Cc1ccc(-c2nnn(CC(=O)N[C@H](C)C(=O)NCCN(C)C)n2)cc1 ZINC000655082012 484482880 /nfs/dbraw/zinc/48/28/80/484482880.db2.gz XANIRFHSZLBGIU-CYBMUJFWSA-N 0 3 359.434 -0.169 20 0 FBADHN Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)C(=O)NCCN(C)C)n2)cc1 ZINC000655082013 484483028 /nfs/dbraw/zinc/48/30/28/484483028.db2.gz XANIRFHSZLBGIU-ZDUSSCGKSA-N 0 3 359.434 -0.169 20 0 FBADHN C[C@@H](NC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)NCCN(C)C ZINC000655082812 484482875 /nfs/dbraw/zinc/48/28/75/484482875.db2.gz OTUBYUALQARDQV-NEPJUHHUSA-N 0 3 374.445 -0.136 20 0 FBADHN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000655082813 484483485 /nfs/dbraw/zinc/48/34/85/484483485.db2.gz OTUBYUALQARDQV-NWDGAFQWSA-N 0 3 374.445 -0.136 20 0 FBADHN C[C@H](NC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)NCCN(C)C ZINC000655082814 484482783 /nfs/dbraw/zinc/48/27/83/484482783.db2.gz OTUBYUALQARDQV-RYUDHWBXSA-N 0 3 374.445 -0.136 20 0 FBADHN C[C@@H](NC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21)C(=O)NCCN(C)C ZINC000655082815 484482701 /nfs/dbraw/zinc/48/27/01/484482701.db2.gz OTUBYUALQARDQV-VXGBXAGGSA-N 0 3 374.445 -0.136 20 0 FBADHN Cn1cc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000655089435 484483137 /nfs/dbraw/zinc/48/31/37/484483137.db2.gz AVHKMJNPMCXMPC-GOSISDBHSA-N 0 3 358.398 -0.341 20 0 FBADHN Cn1cc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000655089436 484482813 /nfs/dbraw/zinc/48/28/13/484482813.db2.gz AVHKMJNPMCXMPC-SFHVURJKSA-N 0 3 358.398 -0.341 20 0 FBADHN CN(C)[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)C[C@@H]1O ZINC000655093252 484484179 /nfs/dbraw/zinc/48/41/79/484484179.db2.gz CXSRYGQVEKLTGR-JYJNAYRXSA-N 0 3 359.430 -0.119 20 0 FBADHN CN(C)[C@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)C[C@@H]1O ZINC000655093253 484484799 /nfs/dbraw/zinc/48/47/99/484484799.db2.gz CXSRYGQVEKLTGR-PMPSAXMXSA-N 0 3 359.430 -0.119 20 0 FBADHN CN(C)[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@@H]1O ZINC000655093301 484484395 /nfs/dbraw/zinc/48/43/95/484484395.db2.gz JUHPJMNQVKWYHY-GJZGRUSLSA-N 0 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483611806 /nfs/dbraw/zinc/61/18/06/483611806.db2.gz NOAHXCJCKYTCST-SVRRBLITSA-N 0 3 358.342 -0.036 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655508717 483611939 /nfs/dbraw/zinc/61/19/39/483611939.db2.gz NOAHXCJCKYTCST-XPUUQOCRSA-N 0 3 358.342 -0.036 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C[NH3+])C(F)(F)F)cn1C ZINC000655511287 483716684 /nfs/dbraw/zinc/71/66/84/483716684.db2.gz AJAMSTDPTCAGPW-MRVPVSSYSA-N 0 3 357.358 -0.597 20 0 FBADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C[NH3+])C(F)(F)F)cn1C ZINC000655511288 483716532 /nfs/dbraw/zinc/71/65/32/483716532.db2.gz AJAMSTDPTCAGPW-QMMMGPOBSA-N 0 3 357.358 -0.597 20 0 FBADHN NC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(F)(F)F ZINC000655512340 483729351 /nfs/dbraw/zinc/72/93/51/483729351.db2.gz DLFNCMXLCPFRBP-SECBINFHSA-N 0 3 353.322 -0.435 20 0 FBADHN NC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(F)(F)F ZINC000655512341 483729344 /nfs/dbraw/zinc/72/93/44/483729344.db2.gz DLFNCMXLCPFRBP-VIFPVBQESA-N 0 3 353.322 -0.435 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](CN)C(F)(F)F)c1 ZINC000655512502 483730710 /nfs/dbraw/zinc/73/07/10/483730710.db2.gz FYKUVACFCTVBPM-SECBINFHSA-N 0 3 358.342 -0.441 20 0 FBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CN)C(F)(F)F)c1 ZINC000655512503 483731121 /nfs/dbraw/zinc/73/11/21/483731121.db2.gz FYKUVACFCTVBPM-VIFPVBQESA-N 0 3 358.342 -0.441 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655513497 483737565 /nfs/dbraw/zinc/73/75/65/483737565.db2.gz XWFSICBKCMFRJW-APPZFPTMSA-N 0 3 371.385 -0.290 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655513498 483737432 /nfs/dbraw/zinc/73/74/32/483737432.db2.gz XWFSICBKCMFRJW-CBAPKCEASA-N 0 3 371.385 -0.290 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655513499 483737736 /nfs/dbraw/zinc/73/77/36/483737736.db2.gz XWFSICBKCMFRJW-IONNQARKSA-N 0 3 371.385 -0.290 20 0 FBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655513500 483737593 /nfs/dbraw/zinc/73/75/93/483737593.db2.gz XWFSICBKCMFRJW-VXNVDRBHSA-N 0 3 371.385 -0.290 20 0 FBADHN Cc1cc(C(=O)N[C@H](CN)C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C ZINC000655515122 483751144 /nfs/dbraw/zinc/75/11/44/483751144.db2.gz GYRVWDOOGNPDFD-MRVPVSSYSA-N 0 3 359.308 -0.440 20 0 FBADHN Cc1cc(C(=O)N[C@@H](CN)C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C ZINC000655515123 483751228 /nfs/dbraw/zinc/75/12/28/483751228.db2.gz GYRVWDOOGNPDFD-QMMMGPOBSA-N 0 3 359.308 -0.440 20 0 FBADHN CCc1c(C(=O)N[C@H](CN)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C ZINC000655516495 483752468 /nfs/dbraw/zinc/75/24/68/483752468.db2.gz ZWYMTPVUVMCMGK-SECBINFHSA-N 0 3 373.335 -0.186 20 0 FBADHN CCc1c(C(=O)N[C@@H](CN)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C ZINC000655516496 483752425 /nfs/dbraw/zinc/75/24/25/483752425.db2.gz ZWYMTPVUVMCMGK-VIFPVBQESA-N 0 3 373.335 -0.186 20 0 FBADHN CC(C)(CNC(=O)NC[C@H]1CCCCN1CCO)NS(C)(=O)=O ZINC000655516660 483752509 /nfs/dbraw/zinc/75/25/09/483752509.db2.gz BSHXIMKOSPPWNY-GFCCVEGCSA-N 0 3 350.485 -0.540 20 0 FBADHN CC(C)(CNC(=O)NC[C@@H]1CCCCN1CCO)NS(C)(=O)=O ZINC000655516661 483752530 /nfs/dbraw/zinc/75/25/30/483752530.db2.gz BSHXIMKOSPPWNY-LBPRGKRZSA-N 0 3 350.485 -0.540 20 0 FBADHN Cc1c(C(=O)N[C@H](CN)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C ZINC000655518713 483755163 /nfs/dbraw/zinc/75/51/63/483755163.db2.gz KWGOQPKQVXNVJY-MRVPVSSYSA-N 0 3 359.308 -0.440 20 0 FBADHN Cc1c(C(=O)N[C@@H](CN)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C ZINC000655518714 483755447 /nfs/dbraw/zinc/75/54/47/483755447.db2.gz KWGOQPKQVXNVJY-QMMMGPOBSA-N 0 3 359.308 -0.440 20 0 FBADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000655575985 483898305 /nfs/dbraw/zinc/89/83/05/483898305.db2.gz JDOIRIJZIVTFEN-AWEZNQCLSA-N 0 3 359.496 -0.302 20 0 FBADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000655575990 483898379 /nfs/dbraw/zinc/89/83/79/483898379.db2.gz JDOIRIJZIVTFEN-CQSZACIVSA-N 0 3 359.496 -0.302 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCn2nncc2C1 ZINC000655629912 484051908 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Cn1nnc2c1CC[C@H](NC(=O)Nc1cnc(N3CCNCC3)nc1)C2 ZINC000655910292 484516416 /nfs/dbraw/zinc/51/64/16/484516416.db2.gz WUURTNGHYDXOGK-NSHDSACASA-N 0 3 357.422 -0.306 20 0 FBADHN NC[C@H](NC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(F)(F)F ZINC000655910941 484518095 /nfs/dbraw/zinc/51/80/95/484518095.db2.gz FMIBUWZEIAIWIG-JTQLQIEISA-N 0 3 360.340 -0.098 20 0 FBADHN NC[C@@H](NC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(F)(F)F ZINC000655910942 484517483 /nfs/dbraw/zinc/51/74/83/484517483.db2.gz FMIBUWZEIAIWIG-SNVBAGLBSA-N 0 3 360.340 -0.098 20 0 FBADHN NC[C@@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C(F)(F)F ZINC000655911111 484517679 /nfs/dbraw/zinc/51/76/79/484517679.db2.gz AWAHTWJGLBBFTB-LLVKDONJSA-N 0 3 351.373 -0.174 20 0 FBADHN NC[C@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)C(F)(F)F ZINC000655911112 484517938 /nfs/dbraw/zinc/51/79/38/484517938.db2.gz AWAHTWJGLBBFTB-NSHDSACASA-N 0 3 351.373 -0.174 20 0 FBADHN NC[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(F)(F)F ZINC000655911774 484517884 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CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655912200 484517734 /nfs/dbraw/zinc/51/77/34/484517734.db2.gz SBEUZORCNCNYDY-SECBINFHSA-N 0 3 353.345 -0.746 20 0 FBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655912201 484517926 /nfs/dbraw/zinc/51/79/26/484517926.db2.gz SBEUZORCNCNYDY-VIFPVBQESA-N 0 3 353.345 -0.746 20 0 FBADHN NC[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(F)(F)F ZINC000655912631 484517558 /nfs/dbraw/zinc/51/75/58/484517558.db2.gz WTSRUCCCHTXRPF-JTQLQIEISA-N 0 3 365.356 -0.648 20 0 FBADHN NC[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(F)(F)F ZINC000655912635 484517876 /nfs/dbraw/zinc/51/78/76/484517876.db2.gz WTSRUCCCHTXRPF-SNVBAGLBSA-N 0 3 365.356 -0.648 20 0 FBADHN NC[C@@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)C(F)(F)F ZINC000655913883 484518086 /nfs/dbraw/zinc/51/80/86/484518086.db2.gz CMLRLPNRKJGQKF-MRVPVSSYSA-N 0 3 364.415 -0.446 20 0 FBADHN NC[C@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)C(F)(F)F ZINC000655913887 484517770 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NC[C@@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(F)(F)F ZINC000655917733 484517722 /nfs/dbraw/zinc/51/77/22/484517722.db2.gz ACPVAOKCXQNHHR-SNVBAGLBSA-N 0 3 364.328 -0.247 20 0 FBADHN COCCNC(=O)Cn1cc(NC(=O)N[C@H](CN)C(F)(F)F)cn1 ZINC000655918279 484517791 /nfs/dbraw/zinc/51/77/91/484517791.db2.gz IWVOMLMVZYKMKN-SECBINFHSA-N 0 3 352.317 -0.343 20 0 FBADHN COCCNC(=O)Cn1cc(NC(=O)N[C@@H](CN)C(F)(F)F)cn1 ZINC000655918280 484517994 /nfs/dbraw/zinc/51/79/94/484517994.db2.gz IWVOMLMVZYKMKN-VIFPVBQESA-N 0 3 352.317 -0.343 20 0 FBADHN C[C@@]1(C2CCN(C(=O)N[C@H](CN)C(F)(F)F)CC2)NC(=O)NC1=O ZINC000655918410 484518223 /nfs/dbraw/zinc/51/82/23/484518223.db2.gz APKXRIXDENHQSX-PELKAZGASA-N 0 3 351.329 -0.104 20 0 FBADHN C[C@]1(C2CCN(C(=O)N[C@H](CN)C(F)(F)F)CC2)NC(=O)NC1=O ZINC000655918411 484517952 /nfs/dbraw/zinc/51/79/52/484517952.db2.gz APKXRIXDENHQSX-PRHODGIISA-N 0 3 351.329 -0.104 20 0 FBADHN C[C@]1(C2CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC2)NC(=O)NC1=O ZINC000655918412 484517915 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/nfs/dbraw/zinc/51/79/44/484517944.db2.gz QMOSUCIWSUXWIL-NSHDSACASA-N 0 3 367.372 -0.938 20 0 FBADHN CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655925960 484518815 /nfs/dbraw/zinc/51/88/15/484518815.db2.gz BAASGGAUKNYBEA-SECBINFHSA-N 0 3 361.390 -0.554 20 0 FBADHN CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655925961 484519277 /nfs/dbraw/zinc/51/92/77/484519277.db2.gz BAASGGAUKNYBEA-VIFPVBQESA-N 0 3 361.390 -0.554 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655926050 484519359 /nfs/dbraw/zinc/51/93/59/484519359.db2.gz BMBFDSSGIQNSPA-BDAKNGLRSA-N 0 3 361.390 -0.554 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655926052 484518807 /nfs/dbraw/zinc/51/88/07/484518807.db2.gz BMBFDSSGIQNSPA-RKDXNWHRSA-N 0 3 361.390 -0.554 20 0 FBADHN CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655927574 484517762 /nfs/dbraw/zinc/51/77/62/484517762.db2.gz OVTQSVMEKBMPJT-SECBINFHSA-N 0 3 361.390 -0.600 20 0 FBADHN 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/nfs/dbraw/zinc/51/93/14/484519314.db2.gz LCEJHXDBFBLDQT-MRVPVSSYSA-N 0 3 370.357 -0.685 20 0 FBADHN NC[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C(F)(F)F ZINC000655930208 484518936 /nfs/dbraw/zinc/51/89/36/484518936.db2.gz LCEJHXDBFBLDQT-QMMMGPOBSA-N 0 3 370.357 -0.685 20 0 FBADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@@H](CN)C(F)(F)F)C(F)(F)F ZINC000655930544 484519045 /nfs/dbraw/zinc/51/90/45/484519045.db2.gz RFCHOZXPFAWGBS-NTSWFWBYSA-N 0 3 374.307 -0.003 20 0 FBADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)C(F)(F)F ZINC000655930545 484519098 /nfs/dbraw/zinc/51/90/98/484519098.db2.gz RFCHOZXPFAWGBS-PHDIDXHHSA-N 0 3 374.307 -0.003 20 0 FBADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N[C@H](CN)C(F)(F)F)C(F)(F)F ZINC000655930546 484518688 /nfs/dbraw/zinc/51/86/88/484518688.db2.gz RFCHOZXPFAWGBS-RITPCOANSA-N 0 3 374.307 -0.003 20 0 FBADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N[C@@H](CN)C(F)(F)F)C(F)(F)F ZINC000655930547 484519572 /nfs/dbraw/zinc/51/95/72/484519572.db2.gz RFCHOZXPFAWGBS-WDSKDSINSA-N 0 3 374.307 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/nfs/dbraw/zinc/52/18/42/484521842.db2.gz NTOLYTMGVPVFIJ-UHFFFAOYSA-N 0 3 369.429 -0.252 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655956163 484521148 /nfs/dbraw/zinc/52/11/48/484521148.db2.gz NTTQIGIOTCZWOR-UHFFFAOYSA-N 0 3 357.418 -0.178 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N2CCN(c3nncn3C)CC2)c1 ZINC000655956227 484521633 /nfs/dbraw/zinc/52/16/33/484521633.db2.gz QUQBNULTKSWRHD-UHFFFAOYSA-N 0 3 357.418 -0.178 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000655956292 484522098 /nfs/dbraw/zinc/52/20/98/484522098.db2.gz UHWJGCMAKMRQFI-UHFFFAOYSA-N 0 3 369.429 -0.252 20 0 FBADHN O=C(Nc1ccc2c(c1F)CCNC2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655956341 484521443 /nfs/dbraw/zinc/52/14/43/484521443.db2.gz WBIYQQZIZRSFQI-QWHCGFSZSA-N 0 3 362.405 -0.313 20 0 FBADHN Cn1c2ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc2n(C)c1=O ZINC000655957568 484522914 /nfs/dbraw/zinc/52/29/14/484522914.db2.gz CBIDEKJUOYCJGO-JTQLQIEISA-N 0 3 359.308 -0.179 20 0 FBADHN Cn1c2ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc2n(C)c1=O ZINC000655957569 484522484 /nfs/dbraw/zinc/52/24/84/484522484.db2.gz CBIDEKJUOYCJGO-SNVBAGLBSA-N 0 3 359.308 -0.179 20 0 FBADHN Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc1-n1cnnn1 ZINC000655957904 484522522 /nfs/dbraw/zinc/52/25/22/484522522.db2.gz BNBMIJZSSJDMGC-JTQLQIEISA-N 0 3 357.296 -0.085 20 0 FBADHN Cc1ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc1-n1cnnn1 ZINC000655957907 484522758 /nfs/dbraw/zinc/52/27/58/484522758.db2.gz BNBMIJZSSJDMGC-SNVBAGLBSA-N 0 3 357.296 -0.085 20 0 FBADHN Cc1cc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)ccc1-n1cnnn1 ZINC000655958639 484522561 /nfs/dbraw/zinc/52/25/61/484522561.db2.gz JFRYVBJDBXYXOP-JTQLQIEISA-N 0 3 357.296 -0.085 20 0 FBADHN Cc1cc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)ccc1-n1cnnn1 ZINC000655958640 484522748 /nfs/dbraw/zinc/52/27/48/484522748.db2.gz JFRYVBJDBXYXOP-SNVBAGLBSA-N 0 3 357.296 -0.085 20 0 FBADHN CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc2C1=O ZINC000655958934 484522738 /nfs/dbraw/zinc/52/27/38/484522738.db2.gz MJDKCTKKFBUSBJ-SECBINFHSA-N 0 3 358.276 -0.143 20 0 FBADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655958940 484522587 /nfs/dbraw/zinc/52/25/87/484522587.db2.gz QLRPRDDQBJDZLO-LURJTMIESA-N 0 3 350.301 -0.505 20 0 FBADHN CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc2C1=O ZINC000655958942 484522649 /nfs/dbraw/zinc/52/26/49/484522649.db2.gz MJDKCTKKFBUSBJ-VIFPVBQESA-N 0 3 358.276 -0.143 20 0 FBADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000655958945 484522702 /nfs/dbraw/zinc/52/27/02/484522702.db2.gz QLRPRDDQBJDZLO-ZCFIWIBFSA-N 0 3 350.301 -0.505 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](CN)C(F)(F)F)c2ccccc2O1 ZINC000655959040 484522811 /nfs/dbraw/zinc/52/28/11/484522811.db2.gz NMJWQPYGIFXYRL-GHMZBOCLSA-N 0 3 374.319 -0.468 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C(F)(F)F)c2ccccc2O1 ZINC000655959042 484522610 /nfs/dbraw/zinc/52/26/10/484522610.db2.gz NMJWQPYGIFXYRL-MNOVXSKESA-N 0 3 374.319 -0.468 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C(F)(F)F)c2ccccc2O1 ZINC000655959046 484522849 /nfs/dbraw/zinc/52/28/49/484522849.db2.gz NMJWQPYGIFXYRL-QWRGUYRKSA-N 0 3 374.319 -0.468 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C(F)(F)F)c2ccccc2O1 ZINC000655959048 484522693 /nfs/dbraw/zinc/52/26/93/484522693.db2.gz NMJWQPYGIFXYRL-WDEREUQCSA-N 0 3 374.319 -0.468 20 0 FBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc2)c1=O ZINC000655959183 484522839 /nfs/dbraw/zinc/52/28/39/484522839.db2.gz RWRLTHPKSXYRTD-JTQLQIEISA-N 0 3 372.307 -0.485 20 0 FBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc2)c1=O ZINC000655959185 484522799 /nfs/dbraw/zinc/52/27/99/484522799.db2.gz RWRLTHPKSXYRTD-SNVBAGLBSA-N 0 3 372.307 -0.485 20 0 FBADHN NC[C@@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(F)(F)F ZINC000655959314 484522411 /nfs/dbraw/zinc/52/24/11/484522411.db2.gz UNUVICQCYVQBRF-SECBINFHSA-N 0 3 361.259 -0.254 20 0 FBADHN NC[C@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C(F)(F)F ZINC000655959322 484522779 /nfs/dbraw/zinc/52/27/79/484522779.db2.gz UNUVICQCYVQBRF-VIFPVBQESA-N 0 3 361.259 -0.254 20 0 FBADHN COc1ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc1-n1cnnn1 ZINC000655959510 484522825 /nfs/dbraw/zinc/52/28/25/484522825.db2.gz VAQCLZVNOAGRFM-JTQLQIEISA-N 0 3 373.295 -0.385 20 0 FBADHN COc1ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc1-n1cnnn1 ZINC000655959511 484522863 /nfs/dbraw/zinc/52/28/63/484522863.db2.gz VAQCLZVNOAGRFM-SNVBAGLBSA-N 0 3 373.295 -0.385 20 0 FBADHN Cc1c(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cccc1-n1cnnn1 ZINC000655960055 484521193 /nfs/dbraw/zinc/52/11/93/484521193.db2.gz UMERPKOVUNTVHS-JTQLQIEISA-N 0 3 357.296 -0.085 20 0 FBADHN Cc1c(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cccc1-n1cnnn1 ZINC000655960058 484522041 /nfs/dbraw/zinc/52/20/41/484522041.db2.gz UMERPKOVUNTVHS-SNVBAGLBSA-N 0 3 357.296 -0.085 20 0 FBADHN CC(C)(C)n1nnc(CNC(=O)C(=O)NCCCNCc2cccnc2)n1 ZINC000656020960 484540890 /nfs/dbraw/zinc/54/08/90/484540890.db2.gz YWQZEXZNEBOPJY-UHFFFAOYSA-N 0 3 374.449 -0.265 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000656021698 484542087 /nfs/dbraw/zinc/54/20/87/484542087.db2.gz HDACKBPQIIKJKC-AWEZNQCLSA-N 0 3 357.418 -0.720 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000656021699 484541911 /nfs/dbraw/zinc/54/19/11/484541911.db2.gz HDACKBPQIIKJKC-CQSZACIVSA-N 0 3 357.418 -0.720 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022247 484540797 /nfs/dbraw/zinc/54/07/97/484540797.db2.gz CSEJKQWBZFSLAC-MRLBHPIUSA-N 0 3 370.494 -0.171 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022248 484540937 /nfs/dbraw/zinc/54/09/37/484540937.db2.gz CSEJKQWBZFSLAC-NIFZNCRKSA-N 0 3 370.494 -0.171 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022249 484540698 /nfs/dbraw/zinc/54/06/98/484540698.db2.gz CSEJKQWBZFSLAC-RMEBNNNOSA-N 0 3 370.494 -0.171 20 0 FBADHN 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484542323 /nfs/dbraw/zinc/54/23/23/484542323.db2.gz ZPJVMEHYPZWPNZ-AWEZNQCLSA-N 0 3 363.466 -0.513 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000656023246 484542429 /nfs/dbraw/zinc/54/24/29/484542429.db2.gz ZPJVMEHYPZWPNZ-CQSZACIVSA-N 0 3 363.466 -0.513 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000656024067 484542346 /nfs/dbraw/zinc/54/23/46/484542346.db2.gz IBHBPUAKPWTSMS-UHFFFAOYSA-N 0 3 369.429 -0.617 20 0 FBADHN CC(C)(C)n1nnc(CNC(=O)C(=O)NCc2ccc3c(c2)CNC3)n1 ZINC000656024345 484542259 /nfs/dbraw/zinc/54/22/59/484542259.db2.gz KRWHXCUKBHUFFR-UHFFFAOYSA-N 0 3 357.418 -0.036 20 0 FBADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)nc1 ZINC000656024408 484542557 /nfs/dbraw/zinc/54/25/57/484542557.db2.gz OPGLIENIGZTEBF-AWEZNQCLSA-N 0 3 363.418 -0.741 20 0 FBADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)nc1 ZINC000656024409 484542245 /nfs/dbraw/zinc/54/22/45/484542245.db2.gz OPGLIENIGZTEBF-CQSZACIVSA-N 0 3 363.418 -0.741 20 0 FBADHN 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/nfs/dbraw/zinc/54/45/83/484544583.db2.gz GQOVGLYVGZKOOB-YLFCFFPRSA-N 0 3 374.489 -0.194 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000656027990 484543580 /nfs/dbraw/zinc/54/35/80/484543580.db2.gz GQOVGLYVGZKOOB-YVSFHVDLSA-N 0 3 374.489 -0.194 20 0 FBADHN COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000656028875 484544050 /nfs/dbraw/zinc/54/40/50/484544050.db2.gz SQNPWDLMRFYNMC-GXTWGEPZSA-N 0 3 362.430 -0.264 20 0 FBADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000656028876 484544682 /nfs/dbraw/zinc/54/46/82/484544682.db2.gz SQNPWDLMRFYNMC-JSGCOSHPSA-N 0 3 362.430 -0.264 20 0 FBADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000656028877 484544518 /nfs/dbraw/zinc/54/45/18/484544518.db2.gz SQNPWDLMRFYNMC-OCCSQVGLSA-N 0 3 362.430 -0.264 20 0 FBADHN COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000656028878 484544559 /nfs/dbraw/zinc/54/45/59/484544559.db2.gz SQNPWDLMRFYNMC-TZMCWYRMSA-N 0 3 362.430 -0.264 20 0 FBADHN COCC1(CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000656029994 484543289 /nfs/dbraw/zinc/54/32/89/484543289.db2.gz MUGAMPJLNRCZPW-CYBMUJFWSA-N 0 3 350.423 -0.557 20 0 FBADHN COCC1(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000656029995 484543756 /nfs/dbraw/zinc/54/37/56/484543756.db2.gz MUGAMPJLNRCZPW-ZDUSSCGKSA-N 0 3 350.423 -0.557 20 0 FBADHN CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000656060805 484547460 /nfs/dbraw/zinc/54/74/60/484547460.db2.gz MYFNCOHIGVRJJC-UHFFFAOYSA-N 0 3 372.433 -0.212 20 0 FBADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000656060837 484547065 /nfs/dbraw/zinc/54/70/65/484547065.db2.gz ONVXEDVHKVXOMU-JKSUJKDBSA-N 0 3 359.430 -0.992 20 0 FBADHN COC1(CO)CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000656060893 484547637 /nfs/dbraw/zinc/54/76/37/484547637.db2.gz REMDMASCMCCNNC-UHFFFAOYSA-N 0 3 362.430 -0.270 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656062720 484549328 /nfs/dbraw/zinc/54/93/28/484549328.db2.gz QLOQXPNPZCZMQM-UHFFFAOYSA-N 0 3 365.482 -0.490 20 0 FBADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCN(C2CCCC2)CC1 ZINC000656062917 484549286 /nfs/dbraw/zinc/54/92/86/484549286.db2.gz UTAAKUUNHVSSMV-JKSUJKDBSA-N 0 3 350.463 -0.649 20 0 FBADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCN(C2CCCCC2)CC1 ZINC000656063013 484550044 /nfs/dbraw/zinc/55/00/44/484550044.db2.gz VJEBKXYCMDGEDI-DLBZAZTESA-N 0 3 364.490 -0.259 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656064120 484549146 /nfs/dbraw/zinc/54/91/46/484549146.db2.gz PRRHEENIUQJPSD-AWEZNQCLSA-N 0 3 363.466 -0.736 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656064121 484549947 /nfs/dbraw/zinc/54/99/47/484549947.db2.gz PRRHEENIUQJPSD-CQSZACIVSA-N 0 3 363.466 -0.736 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656064428 484550235 /nfs/dbraw/zinc/55/02/35/484550235.db2.gz VDWLXVUKPROQAR-GFCCVEGCSA-N 0 3 351.455 -0.156 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656064429 484549472 /nfs/dbraw/zinc/54/94/72/484549472.db2.gz VDWLXVUKPROQAR-LBPRGKRZSA-N 0 3 351.455 -0.156 20 0 FBADHN O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656065980 484549544 /nfs/dbraw/zinc/54/95/44/484549544.db2.gz UTOCWQFFMUHXPY-HRCADAONSA-N 0 3 350.463 -0.649 20 0 FBADHN O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656065981 484550074 /nfs/dbraw/zinc/55/00/74/484550074.db2.gz UTOCWQFFMUHXPY-OWCLPIDISA-N 0 3 350.463 -0.649 20 0 FBADHN Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC000656066162 484549704 /nfs/dbraw/zinc/54/97/04/484549704.db2.gz XJXWVOQGNPRHNC-JKSUJKDBSA-N 0 3 373.457 -0.684 20 0 FBADHN COC1(CO)CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000656066666 484551364 /nfs/dbraw/zinc/55/13/64/484551364.db2.gz ANGMYRWPUFBPRK-HNNXBMFYSA-N 0 3 371.478 -0.445 20 0 FBADHN COC1(CO)CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000656066667 484552099 /nfs/dbraw/zinc/55/20/99/484552099.db2.gz ANGMYRWPUFBPRK-OAHLLOKOSA-N 0 3 371.478 -0.445 20 0 FBADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000656066807 484551916 /nfs/dbraw/zinc/55/19/16/484551916.db2.gz JBMKKLCWVHDVQR-IXDOHACOSA-N 0 3 364.490 -0.259 20 0 FBADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC[C@H]1CN1CCCCC1 ZINC000656066808 484551649 /nfs/dbraw/zinc/55/16/49/484551649.db2.gz JBMKKLCWVHDVQR-YESZJQIVSA-N 0 3 364.490 -0.259 20 0 FBADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC[C@H]1CN1CCCC1 ZINC000656066851 484551007 /nfs/dbraw/zinc/55/10/07/484551007.db2.gz MUDDALRLFUASGV-HRCADAONSA-N 0 3 350.463 -0.649 20 0 FBADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC[C@@H]1CN1CCCC1 ZINC000656066852 484551470 /nfs/dbraw/zinc/55/14/70/484551470.db2.gz MUDDALRLFUASGV-OWCLPIDISA-N 0 3 350.463 -0.649 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656067807 484551796 /nfs/dbraw/zinc/55/17/96/484551796.db2.gz MWYIYHAXVRALNC-UHFFFAOYSA-N 0 3 351.455 -0.013 20 0 FBADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067881 484550770 /nfs/dbraw/zinc/55/07/70/484550770.db2.gz OIIOJCUXRSOSBO-LSDHHAIUSA-N 0 3 352.479 -0.403 20 0 FBADHN CC(C)(C)CCN1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656068011 484551083 /nfs/dbraw/zinc/55/10/83/484551083.db2.gz XYBAVYUJSKGOKY-JKSUJKDBSA-N 0 3 366.506 -0.156 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000656068105 484550875 /nfs/dbraw/zinc/55/08/75/484550875.db2.gz OREBKNRMWBZPDP-AWEZNQCLSA-N 0 3 361.450 -0.840 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000656068106 484551734 /nfs/dbraw/zinc/55/17/34/484551734.db2.gz OREBKNRMWBZPDP-CQSZACIVSA-N 0 3 361.450 -0.840 20 0 FBADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656068338 484551972 /nfs/dbraw/zinc/55/19/72/484551972.db2.gz VOEGMLCWXKEVGC-DLBZAZTESA-N 0 3 364.490 -0.259 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC1 ZINC000656068466 484551214 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ZINC000656094681 484572481 /nfs/dbraw/zinc/57/24/81/484572481.db2.gz WNBRJJAAEKDCQI-VYDXJSESSA-N 0 3 366.506 -0.157 20 0 FBADHN C[C@H](O)CN(C(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)C1CC1 ZINC000656094682 484572804 /nfs/dbraw/zinc/57/28/04/484572804.db2.gz WNBRJJAAEKDCQI-YQQAZPJKSA-N 0 3 366.506 -0.157 20 0 FBADHN C[C@H](O)CN(C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)C1CC1 ZINC000656094683 484572213 /nfs/dbraw/zinc/57/22/13/484572213.db2.gz WNBRJJAAEKDCQI-ZOBUZTSGSA-N 0 3 366.506 -0.157 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656103736 484576232 /nfs/dbraw/zinc/57/62/32/484576232.db2.gz BTKCYMYKFDPCNN-UXLLHSPISA-N 0 3 358.442 -0.652 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656103742 484576488 /nfs/dbraw/zinc/57/64/88/484576488.db2.gz BTKCYMYKFDPCNN-ZMSDIMECSA-N 0 3 358.442 -0.652 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)N(CCN)Cc2ccccc2)CC1 ZINC000656104030 484576081 /nfs/dbraw/zinc/57/60/81/484576081.db2.gz 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C[C@H](N[C@H]1CCCN2CCCC[C@H]12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000656130367 484593144 /nfs/dbraw/zinc/59/31/44/484593144.db2.gz UXVOAIOMHVMANN-RWMBFGLXSA-N 0 3 363.462 -0.156 20 0 FBADHN C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000656130368 484593035 /nfs/dbraw/zinc/59/30/35/484593035.db2.gz UXVOAIOMHVMANN-XQQFMLRXSA-N 0 3 363.462 -0.156 20 0 FBADHN C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000656130369 484593239 /nfs/dbraw/zinc/59/32/39/484593239.db2.gz UXVOAIOMHVMANN-YNEHKIRRSA-N 0 3 363.462 -0.156 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656150523 484599924 /nfs/dbraw/zinc/59/99/24/484599924.db2.gz XJABSXKKRCZBGP-CABCVRRESA-N 0 3 373.523 -0.381 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656150524 484600485 /nfs/dbraw/zinc/60/04/85/484600485.db2.gz XJABSXKKRCZBGP-GJZGRUSLSA-N 0 3 373.523 -0.381 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656150525 484599847 /nfs/dbraw/zinc/59/98/47/484599847.db2.gz XJABSXKKRCZBGP-HUUCEWRRSA-N 0 3 373.523 -0.381 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656150526 484599535 /nfs/dbraw/zinc/59/95/35/484599535.db2.gz XJABSXKKRCZBGP-LSDHHAIUSA-N 0 3 373.523 -0.381 20 0 FBADHN CCN(C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O ZINC000656151402 484600178 /nfs/dbraw/zinc/60/01/78/484600178.db2.gz KTGXLRGLDIJLLW-PBHICJAKSA-N 0 3 373.417 -0.258 20 0 FBADHN CCN(C)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O ZINC000656151403 484600525 /nfs/dbraw/zinc/60/05/25/484600525.db2.gz KTGXLRGLDIJLLW-RHSMWYFYSA-N 0 3 373.417 -0.258 20 0 FBADHN CCN(C)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O ZINC000656151404 484599763 /nfs/dbraw/zinc/59/97/63/484599763.db2.gz KTGXLRGLDIJLLW-WMLDXEAASA-N 0 3 373.417 -0.258 20 0 FBADHN CCN(C)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O ZINC000656151405 484599993 /nfs/dbraw/zinc/59/99/93/484599993.db2.gz KTGXLRGLDIJLLW-YOEHRIQHSA-N 0 3 373.417 -0.258 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3nncn3C)CC2)n1 ZINC000656218546 484616336 /nfs/dbraw/zinc/61/63/36/484616336.db2.gz SUOGLPRUCDTJMW-UHFFFAOYSA-N 0 3 362.442 -0.449 20 0 FBADHN Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)cc(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000656219215 484616165 /nfs/dbraw/zinc/61/61/65/484616165.db2.gz PJRAKBPDIQOYKM-MWDXBVQZSA-N 0 3 374.489 -0.705 20 0 FBADHN COc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)cc(OC)c1OCC(N)=O ZINC000656273048 484622086 /nfs/dbraw/zinc/62/20/86/484622086.db2.gz POPBJBKALXMGHX-UONOGXRCSA-N 0 3 365.430 -0.181 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656281603 484623420 /nfs/dbraw/zinc/62/34/20/484623420.db2.gz BQRNKSRLMBDGPV-BBWFWOEESA-N 0 3 360.458 -0.317 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656281604 484623551 /nfs/dbraw/zinc/62/35/51/484623551.db2.gz BQRNKSRLMBDGPV-GVDBMIGSSA-N 0 3 360.458 -0.317 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656282550 484623035 /nfs/dbraw/zinc/62/30/35/484623035.db2.gz NNJZGLKGZURFQF-CVEARBPZSA-N 0 3 352.479 -0.042 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656282551 484622837 /nfs/dbraw/zinc/62/28/37/484622837.db2.gz NNJZGLKGZURFQF-HOTGVXAUSA-N 0 3 352.479 -0.042 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656282552 484623060 /nfs/dbraw/zinc/62/30/60/484623060.db2.gz NNJZGLKGZURFQF-HZPDHXFCSA-N 0 3 352.479 -0.042 20 0 FBADHN O=C(NCCCN1CCOCC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656282553 484622713 /nfs/dbraw/zinc/62/27/13/484622713.db2.gz NNJZGLKGZURFQF-JKSUJKDBSA-N 0 3 352.479 -0.042 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccs1 ZINC000656284001 484623675 /nfs/dbraw/zinc/62/36/75/484623675.db2.gz KJDTWPUWDYTYDG-BFHYXJOUSA-N 0 3 366.487 -0.256 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccs1 ZINC000656284002 484623510 /nfs/dbraw/zinc/62/35/10/484623510.db2.gz KJDTWPUWDYTYDG-MJBXVCDLSA-N 0 3 366.487 -0.256 20 0 FBADHN CC(C)(CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCCCC1 ZINC000656284752 484625325 /nfs/dbraw/zinc/62/53/25/484625325.db2.gz YBPFSXMRRZNSOI-LSDHHAIUSA-N 0 3 352.479 -0.356 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656285520 484624215 /nfs/dbraw/zinc/62/42/15/484624215.db2.gz CZPFHALNWDNUCT-FGTMMUONSA-N 0 3 374.485 -0.447 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656285521 484625584 /nfs/dbraw/zinc/62/55/84/484625584.db2.gz CZPFHALNWDNUCT-OKZBNKHCSA-N 0 3 374.485 -0.447 20 0 FBADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656286160 484624735 /nfs/dbraw/zinc/62/47/35/484624735.db2.gz LIJXRIPMYVQUIG-FGTMMUONSA-N 0 3 372.469 -0.346 20 0 FBADHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656286162 484625090 /nfs/dbraw/zinc/62/50/90/484625090.db2.gz LIJXRIPMYVQUIG-OKZBNKHCSA-N 0 3 372.469 -0.346 20 0 FBADHN Cn1cnnc1N1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000656290468 484627035 /nfs/dbraw/zinc/62/70/35/484627035.db2.gz YYCSSYLZBYHZLQ-UHFFFAOYSA-N 0 3 361.450 -0.793 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656294465 484628470 /nfs/dbraw/zinc/62/84/70/484628470.db2.gz AVTNTIIVSUATOU-BZUAXINKSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656294466 484628766 /nfs/dbraw/zinc/62/87/66/484628766.db2.gz AVTNTIIVSUATOU-OAGGEKHMSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656294467 484628797 /nfs/dbraw/zinc/62/87/97/484628797.db2.gz AVTNTIIVSUATOU-OWCLPIDISA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656294468 484629824 /nfs/dbraw/zinc/62/98/24/484629824.db2.gz AVTNTIIVSUATOU-PMPSAXMXSA-N 0 3 352.479 -0.044 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccsc1 ZINC000656294918 484625518 /nfs/dbraw/zinc/62/55/18/484625518.db2.gz COBQUDSUNQGCFK-RRFJBIMHSA-N 0 3 366.487 -0.256 20 0 FBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccsc1 ZINC000656294920 484625115 /nfs/dbraw/zinc/62/51/15/484625115.db2.gz COBQUDSUNQGCFK-ZNMIVQPWSA-N 0 3 366.487 -0.256 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C1 ZINC000656295158 484625270 /nfs/dbraw/zinc/62/52/70/484625270.db2.gz FRBFMBUOIGPSKW-GFCCVEGCSA-N 0 3 351.455 -0.108 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C1 ZINC000656295159 484625208 /nfs/dbraw/zinc/62/52/08/484625208.db2.gz FRBFMBUOIGPSKW-LBPRGKRZSA-N 0 3 351.455 -0.108 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656295496 484625053 /nfs/dbraw/zinc/62/50/53/484625053.db2.gz JXPORYHZRKIFQK-AWEZNQCLSA-N 0 3 363.466 -0.688 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656295501 484625704 /nfs/dbraw/zinc/62/57/04/484625704.db2.gz JXPORYHZRKIFQK-CQSZACIVSA-N 0 3 363.466 -0.688 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656296122 484624322 /nfs/dbraw/zinc/62/43/22/484624322.db2.gz QMKOVFKCNFQNKJ-UHFFFAOYSA-N 0 3 351.455 -0.108 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656296267 484625181 /nfs/dbraw/zinc/62/51/81/484625181.db2.gz RKEMRONGOLXPQI-AWEZNQCLSA-N 0 3 363.466 -0.546 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656296268 484624134 /nfs/dbraw/zinc/62/41/34/484624134.db2.gz RKEMRONGOLXPQI-CQSZACIVSA-N 0 3 363.466 -0.546 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N(C[C@H](C)O)C2CC2)CC1 ZINC000656296362 484624937 /nfs/dbraw/zinc/62/49/37/484624937.db2.gz ILTYGWSFINIBAG-HNNXBMFYSA-N 0 3 354.495 -0.108 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N(C[C@@H](C)O)C2CC2)CC1 ZINC000656296363 484625195 /nfs/dbraw/zinc/62/51/95/484625195.db2.gz ILTYGWSFINIBAG-OAHLLOKOSA-N 0 3 354.495 -0.108 20 0 FBADHN O=C(NCCN1CCc2ccccc2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656296461 484626807 /nfs/dbraw/zinc/62/68/07/484626807.db2.gz UHHQJCGYHFMABG-ZWKOTPCHSA-N 0 3 372.469 -0.562 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(c3nncn3C)CC2)CC1 ZINC000656296503 484626505 /nfs/dbraw/zinc/62/65/05/484626505.db2.gz VGEZBCILJZZMKO-UHFFFAOYSA-N 0 3 363.466 -0.688 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CCSC1 ZINC000656299296 484629220 /nfs/dbraw/zinc/62/92/20/484629220.db2.gz PKCOSIIPRZRGKG-HNNXBMFYSA-N 0 3 369.495 -0.402 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CCSC1 ZINC000656299297 484628912 /nfs/dbraw/zinc/62/89/12/484628912.db2.gz PKCOSIIPRZRGKG-OAHLLOKOSA-N 0 3 369.495 -0.402 20 0 FBADHN CN(C)Cc1cccc(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000656299364 484628398 /nfs/dbraw/zinc/62/83/98/484628398.db2.gz RDZYPUKYJZPHKT-DLBZAZTESA-N 0 3 360.458 -0.358 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2(COC)CC2)CC1 ZINC000656299898 484629178 /nfs/dbraw/zinc/62/91/78/484629178.db2.gz DTSLPXBZMGZSBR-HNNXBMFYSA-N 0 3 354.495 -0.081 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2(COC)CC2)CC1 ZINC000656299899 484629030 /nfs/dbraw/zinc/62/90/30/484629030.db2.gz DTSLPXBZMGZSBR-OAHLLOKOSA-N 0 3 354.495 -0.081 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C[C@H](C)O)C2CC2)CC1 ZINC000656299961 484629852 /nfs/dbraw/zinc/62/98/52/484629852.db2.gz GCVSFAAPDJDHEJ-CABCVRRESA-N 0 3 354.495 -0.252 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C[C@H](C)O)C2CC2)CC1 ZINC000656299962 484629136 /nfs/dbraw/zinc/62/91/36/484629136.db2.gz GCVSFAAPDJDHEJ-GJZGRUSLSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C[C@@H](C)O)C2CC2)CC1 ZINC000656299963 484629357 /nfs/dbraw/zinc/62/93/57/484629357.db2.gz GCVSFAAPDJDHEJ-HUUCEWRRSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C[C@@H](C)O)C2CC2)CC1 ZINC000656299964 484628638 /nfs/dbraw/zinc/62/86/38/484628638.db2.gz GCVSFAAPDJDHEJ-LSDHHAIUSA-N 0 3 354.495 -0.252 20 0 FBADHN Cc1ccc([C@H](CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)N(C)C)cc1 ZINC000656300275 484628993 /nfs/dbraw/zinc/62/89/93/484628993.db2.gz NMNJNGVENANIGG-KSZLIROESA-N 0 3 374.485 -0.009 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/nfs/dbraw/zinc/63/26/52/484632652.db2.gz KRNIIUUPKDJNTH-CQSZACIVSA-N 0 3 363.466 -0.546 20 0 FBADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656309992 484632601 /nfs/dbraw/zinc/63/26/01/484632601.db2.gz WNDUIOZVVBPDND-CYBMUJFWSA-N 0 3 351.455 -0.690 20 0 FBADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656309994 484632947 /nfs/dbraw/zinc/63/29/47/484632947.db2.gz WNDUIOZVVBPDND-ZDUSSCGKSA-N 0 3 351.455 -0.690 20 0 FBADHN COCC1(CNC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000656311851 484635493 /nfs/dbraw/zinc/63/54/93/484635493.db2.gz IHGTWWVMANSTHT-UHFFFAOYSA-N 0 3 368.478 -0.412 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656312443 484636809 /nfs/dbraw/zinc/63/68/09/484636809.db2.gz VADHAIQSHPAEDI-ARFHVFGLSA-N 0 3 352.479 -0.044 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656312444 484636659 /nfs/dbraw/zinc/63/66/59/484636659.db2.gz VADHAIQSHPAEDI-HRCADAONSA-N 0 3 352.479 -0.044 20 0 FBADHN 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/nfs/dbraw/zinc/63/71/78/484637178.db2.gz HAVPPUIRKCPPSD-HRCADAONSA-N 0 3 352.479 -0.356 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656315054 484636692 /nfs/dbraw/zinc/63/66/92/484636692.db2.gz HAVPPUIRKCPPSD-OWCLPIDISA-N 0 3 352.479 -0.356 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656316765 484639051 /nfs/dbraw/zinc/63/90/51/484639051.db2.gz UPRVCQYLROCCOQ-AWEZNQCLSA-N 0 3 363.466 -0.546 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656316766 484638905 /nfs/dbraw/zinc/63/89/05/484638905.db2.gz UPRVCQYLROCCOQ-CQSZACIVSA-N 0 3 363.466 -0.546 20 0 FBADHN COCC1(CNC(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000656317467 484637543 /nfs/dbraw/zinc/63/75/43/484637543.db2.gz XNZNYALSFOHLEF-AWEZNQCLSA-N 0 3 352.479 -0.186 20 0 FBADHN COCC1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000656317468 484637346 /nfs/dbraw/zinc/63/73/46/484637346.db2.gz XNZNYALSFOHLEF-CQSZACIVSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCOCCN(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656325239 484641036 /nfs/dbraw/zinc/64/10/36/484641036.db2.gz MASBTGVNVFOFHI-KFWWJZLASA-N 0 3 358.483 -0.705 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCOCCN(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656325240 484640551 /nfs/dbraw/zinc/64/05/51/484640551.db2.gz MASBTGVNVFOFHI-SOUVJXGZSA-N 0 3 358.483 -0.705 20 0 FBADHN CCCN(CC)CCNC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656325834 484640155 /nfs/dbraw/zinc/64/01/55/484640155.db2.gz ZAGPDLNCZRUBMR-UHFFFAOYSA-N 0 3 351.455 -0.688 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326227 484640147 /nfs/dbraw/zinc/64/01/47/484640147.db2.gz JTVXOWUUBWYSLJ-BSDSXHPESA-N 0 3 372.469 -0.175 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326230 484640062 /nfs/dbraw/zinc/64/00/62/484640062.db2.gz JTVXOWUUBWYSLJ-MHORFTMASA-N 0 3 372.469 -0.175 20 0 FBADHN CN1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326232 484641121 /nfs/dbraw/zinc/64/11/21/484641121.db2.gz JTVXOWUUBWYSLJ-MLHJIOFPSA-N 0 3 372.469 -0.175 20 0 FBADHN CN1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326233 484640224 /nfs/dbraw/zinc/64/02/24/484640224.db2.gz JTVXOWUUBWYSLJ-XWTMOSNGSA-N 0 3 372.469 -0.175 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656333380 484642292 /nfs/dbraw/zinc/64/22/92/484642292.db2.gz HLYFJVHKAANIDF-KBPBESRZSA-N 0 3 372.491 -0.873 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656333381 484642022 /nfs/dbraw/zinc/64/20/22/484642022.db2.gz HLYFJVHKAANIDF-KGLIPLIRSA-N 0 3 372.491 -0.873 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656333382 484642873 /nfs/dbraw/zinc/64/28/73/484642873.db2.gz HLYFJVHKAANIDF-UONOGXRCSA-N 0 3 372.491 -0.873 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656333383 484642724 /nfs/dbraw/zinc/64/27/24/484642724.db2.gz HLYFJVHKAANIDF-ZIAGYGMSSA-N 0 3 372.491 -0.873 20 0 FBADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CN(C)CCO1 ZINC000656334448 484644362 /nfs/dbraw/zinc/64/43/62/484644362.db2.gz PLIVIDUKIVSJKS-FZKCQIBNSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CN(C)CCO1 ZINC000656334451 484644644 /nfs/dbraw/zinc/64/46/44/484644644.db2.gz PLIVIDUKIVSJKS-JJXSEGSLSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CN(C)CCO1 ZINC000656334453 484643626 /nfs/dbraw/zinc/64/36/26/484643626.db2.gz PLIVIDUKIVSJKS-XUWVNRHRSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CN(C)CCO1 ZINC000656334456 484644163 /nfs/dbraw/zinc/64/41/63/484644163.db2.gz PLIVIDUKIVSJKS-ZJIFWQFVSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2nncn2C)CC1)C1=CCN(C)CC1 ZINC000656336032 484645046 /nfs/dbraw/zinc/64/50/46/484645046.db2.gz STSXZTJIKWVANN-CYBMUJFWSA-N 0 3 361.450 -0.770 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2nncn2C)CC1)C1=CCN(C)CC1 ZINC000656336033 484645346 /nfs/dbraw/zinc/64/53/46/484645346.db2.gz STSXZTJIKWVANN-ZDUSSCGKSA-N 0 3 361.450 -0.770 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656336684 484647361 /nfs/dbraw/zinc/64/73/61/484647361.db2.gz LDLSLYSHVLHDDW-RRFJBIMHSA-N 0 3 352.479 -0.500 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656336685 484647150 /nfs/dbraw/zinc/64/71/50/484647150.db2.gz LDLSLYSHVLHDDW-ZNMIVQPWSA-N 0 3 352.479 -0.500 20 0 FBADHN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656337210 484647072 /nfs/dbraw/zinc/64/70/72/484647072.db2.gz PVXDEYMECJDXMR-HRCADAONSA-N 0 3 350.463 -0.603 20 0 FBADHN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656337212 484647410 /nfs/dbraw/zinc/64/74/10/484647410.db2.gz PVXDEYMECJDXMR-OWCLPIDISA-N 0 3 350.463 -0.603 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CCCCO1 ZINC000656350363 484649745 /nfs/dbraw/zinc/64/97/45/484649745.db2.gz WLBBFNRDZQZQAU-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CCCCO1 ZINC000656350365 484649805 /nfs/dbraw/zinc/64/98/05/484649805.db2.gz WLBBFNRDZQZQAU-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CCCCO1 ZINC000656350367 484650624 /nfs/dbraw/zinc/65/06/24/484650624.db2.gz WLBBFNRDZQZQAU-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN CC[C@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CCCCO1 ZINC000656350369 484650448 /nfs/dbraw/zinc/65/04/48/484650448.db2.gz WLBBFNRDZQZQAU-LSDHHAIUSA-N 0 3 368.478 -0.317 20 0 FBADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000656353416 484651711 /nfs/dbraw/zinc/65/17/11/484651711.db2.gz AQHHKLCETRTGPB-ARFHVFGLSA-N 0 3 350.463 -0.338 20 0 FBADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000656353430 484651494 /nfs/dbraw/zinc/65/14/94/484651494.db2.gz AQHHKLCETRTGPB-BZUAXINKSA-N 0 3 350.463 -0.338 20 0 FBADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000656353434 484651957 /nfs/dbraw/zinc/65/19/57/484651957.db2.gz AQHHKLCETRTGPB-OAGGEKHMSA-N 0 3 350.463 -0.338 20 0 FBADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000656353438 484651631 /nfs/dbraw/zinc/65/16/31/484651631.db2.gz AQHHKLCETRTGPB-XHSDSOJGSA-N 0 3 350.463 -0.338 20 0 FBADHN NC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000656353831 484652218 /nfs/dbraw/zinc/65/22/18/484652218.db2.gz CXOFPGDIUTWURN-DZGCQCFKSA-N 0 3 359.430 -0.070 20 0 FBADHN NC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000656353833 484652543 /nfs/dbraw/zinc/65/25/43/484652543.db2.gz CXOFPGDIUTWURN-HIFRSBDPSA-N 0 3 359.430 -0.070 20 0 FBADHN NC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000656353835 484652125 /nfs/dbraw/zinc/65/21/25/484652125.db2.gz CXOFPGDIUTWURN-UKRRQHHQSA-N 0 3 359.430 -0.070 20 0 FBADHN NC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000656353836 484652605 /nfs/dbraw/zinc/65/26/05/484652605.db2.gz CXOFPGDIUTWURN-ZFWWWQNUSA-N 0 3 359.430 -0.070 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656354582 484652274 /nfs/dbraw/zinc/65/22/74/484652274.db2.gz GPNHLYFIXPSVTG-AGIUHOORSA-N 0 3 358.464 -0.991 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656354583 484651864 /nfs/dbraw/zinc/65/18/64/484651864.db2.gz GPNHLYFIXPSVTG-FRRDWIJNSA-N 0 3 358.464 -0.991 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656354584 484651833 /nfs/dbraw/zinc/65/18/33/484651833.db2.gz GPNHLYFIXPSVTG-JHJVBQTASA-N 0 3 358.464 -0.991 20 0 FBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656354585 484652042 /nfs/dbraw/zinc/65/20/42/484652042.db2.gz GPNHLYFIXPSVTG-UPJWGTAASA-N 0 3 358.464 -0.991 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656355835 484652024 /nfs/dbraw/zinc/65/20/24/484652024.db2.gz OSWHNLWWUBJBHM-IHRRRGAJSA-N 0 3 352.435 -0.907 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656355836 484651976 /nfs/dbraw/zinc/65/19/76/484651976.db2.gz OSWHNLWWUBJBHM-MCIONIFRSA-N 0 3 352.435 -0.907 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656355837 484652632 /nfs/dbraw/zinc/65/26/32/484652632.db2.gz OSWHNLWWUBJBHM-MJBXVCDLSA-N 0 3 352.435 -0.907 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656355838 484651672 /nfs/dbraw/zinc/65/16/72/484651672.db2.gz OSWHNLWWUBJBHM-RDBSUJKOSA-N 0 3 352.435 -0.907 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656355955 484653695 /nfs/dbraw/zinc/65/36/95/484653695.db2.gz PXTQPUXHYBIFEZ-BZUAXINKSA-N 0 3 366.462 -0.517 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656355956 484653883 /nfs/dbraw/zinc/65/38/83/484653883.db2.gz PXTQPUXHYBIFEZ-OAGGEKHMSA-N 0 3 366.462 -0.517 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656355957 484653972 /nfs/dbraw/zinc/65/39/72/484653972.db2.gz PXTQPUXHYBIFEZ-OWCLPIDISA-N 0 3 366.462 -0.517 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656355958 484654123 /nfs/dbraw/zinc/65/41/23/484654123.db2.gz PXTQPUXHYBIFEZ-PMPSAXMXSA-N 0 3 366.462 -0.517 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656357263 484653621 /nfs/dbraw/zinc/65/36/21/484653621.db2.gz YLYRUKKGEYRWNR-KBPBESRZSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656357264 484653149 /nfs/dbraw/zinc/65/31/49/484653149.db2.gz YLYRUKKGEYRWNR-KGLIPLIRSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656357265 484653098 /nfs/dbraw/zinc/65/30/98/484653098.db2.gz YLYRUKKGEYRWNR-UONOGXRCSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656357266 484653655 /nfs/dbraw/zinc/65/36/55/484653655.db2.gz YLYRUKKGEYRWNR-ZIAGYGMSSA-N 0 3 353.467 -0.151 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656357669 484653524 /nfs/dbraw/zinc/65/35/24/484653524.db2.gz GHUCIPQBEROTLA-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656357670 484653186 /nfs/dbraw/zinc/65/31/86/484653186.db2.gz GHUCIPQBEROTLA-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656357671 484654457 /nfs/dbraw/zinc/65/44/57/484654457.db2.gz GHUCIPQBEROTLA-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656357672 484653346 /nfs/dbraw/zinc/65/33/46/484653346.db2.gz GHUCIPQBEROTLA-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656358310 484653400 /nfs/dbraw/zinc/65/34/00/484653400.db2.gz JNTBAAHLRDNYHG-BZUAXINKSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656358312 484654228 /nfs/dbraw/zinc/65/42/28/484654228.db2.gz JNTBAAHLRDNYHG-OAGGEKHMSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656358314 484654369 /nfs/dbraw/zinc/65/43/69/484654369.db2.gz JNTBAAHLRDNYHG-OWCLPIDISA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656358316 484654432 /nfs/dbraw/zinc/65/44/32/484654432.db2.gz JNTBAAHLRDNYHG-PMPSAXMXSA-N 0 3 352.479 -0.044 20 0 FBADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656358365 484653788 /nfs/dbraw/zinc/65/37/88/484653788.db2.gz QSMSWIPNXDZEEE-FZKCQIBNSA-N 0 3 350.463 -0.603 20 0 FBADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656358367 484654401 /nfs/dbraw/zinc/65/44/01/484654401.db2.gz QSMSWIPNXDZEEE-JJXSEGSLSA-N 0 3 350.463 -0.603 20 0 FBADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656358369 484653583 /nfs/dbraw/zinc/65/35/83/484653583.db2.gz QSMSWIPNXDZEEE-XUWVNRHRSA-N 0 3 350.463 -0.603 20 0 FBADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656358371 484654089 /nfs/dbraw/zinc/65/40/89/484654089.db2.gz QSMSWIPNXDZEEE-ZJIFWQFVSA-N 0 3 350.463 -0.603 20 0 FBADHN COC[C@]1(CO)CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656358779 484653016 /nfs/dbraw/zinc/65/30/16/484653016.db2.gz UNCCOFSOAKTULU-HDMKZQKVSA-N 0 3 353.463 -0.023 20 0 FBADHN COC[C@]1(CO)CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656358780 484654490 /nfs/dbraw/zinc/65/44/90/484654490.db2.gz UNCCOFSOAKTULU-IIDMSEBBSA-N 0 3 353.463 -0.023 20 0 FBADHN COC[C@]1(CO)CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656358782 484654646 /nfs/dbraw/zinc/65/46/46/484654646.db2.gz UNCCOFSOAKTULU-RLFYNMQTSA-N 0 3 353.463 -0.023 20 0 FBADHN COC[C@]1(CO)CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656358784 484653607 /nfs/dbraw/zinc/65/36/07/484653607.db2.gz UNCCOFSOAKTULU-RVKKMQEKSA-N 0 3 353.463 -0.023 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656359531 484653736 /nfs/dbraw/zinc/65/37/36/484653736.db2.gz PDFRSRUKHXBINZ-KBPBESRZSA-N 0 3 372.491 -0.777 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656359560 484654527 /nfs/dbraw/zinc/65/45/27/484654527.db2.gz PDFRSRUKHXBINZ-KGLIPLIRSA-N 0 3 372.491 -0.777 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656359561 484654578 /nfs/dbraw/zinc/65/45/78/484654578.db2.gz PDFRSRUKHXBINZ-UONOGXRCSA-N 0 3 372.491 -0.777 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656359562 484653084 /nfs/dbraw/zinc/65/30/84/484653084.db2.gz PDFRSRUKHXBINZ-ZIAGYGMSSA-N 0 3 372.491 -0.777 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656360452 484655585 /nfs/dbraw/zinc/65/55/85/484655585.db2.gz SYKGAJWZMSCXKO-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656360453 484655312 /nfs/dbraw/zinc/65/53/12/484655312.db2.gz SYKGAJWZMSCXKO-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656360454 484655977 /nfs/dbraw/zinc/65/59/77/484655977.db2.gz SYKGAJWZMSCXKO-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(CCN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656360455 484655478 /nfs/dbraw/zinc/65/54/78/484655478.db2.gz SYKGAJWZMSCXKO-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656360620 484655997 /nfs/dbraw/zinc/65/59/97/484655997.db2.gz UKJGKGUDOOWYHO-CABCVRRESA-N 0 3 366.462 -0.563 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656360621 484655946 /nfs/dbraw/zinc/65/59/46/484655946.db2.gz UKJGKGUDOOWYHO-GJZGRUSLSA-N 0 3 366.462 -0.563 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656360622 484655164 /nfs/dbraw/zinc/65/51/64/484655164.db2.gz UKJGKGUDOOWYHO-HUUCEWRRSA-N 0 3 366.462 -0.563 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656360623 484655393 /nfs/dbraw/zinc/65/53/93/484655393.db2.gz UKJGKGUDOOWYHO-LSDHHAIUSA-N 0 3 366.462 -0.563 20 0 FBADHN O=C(CNC(=O)NC[C@@H]1CCCNC1=O)NCCN1CCCCCC1 ZINC000656385732 484660815 /nfs/dbraw/zinc/66/08/15/484660815.db2.gz NXUSWXFYDQLCOW-AWEZNQCLSA-N 0 3 353.467 -0.196 20 0 FBADHN O=C(CNC(=O)NC[C@H]1CCCNC1=O)NCCN1CCCCCC1 ZINC000656385733 484660602 /nfs/dbraw/zinc/66/06/02/484660602.db2.gz NXUSWXFYDQLCOW-CQSZACIVSA-N 0 3 353.467 -0.196 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 ZINC000656386962 484660736 /nfs/dbraw/zinc/66/07/36/484660736.db2.gz LCFSPEYRVPWWRQ-KBPBESRZSA-N 0 3 351.451 -0.539 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 ZINC000656386963 484661318 /nfs/dbraw/zinc/66/13/18/484661318.db2.gz LCFSPEYRVPWWRQ-KGLIPLIRSA-N 0 3 351.451 -0.539 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 ZINC000656386964 484661617 /nfs/dbraw/zinc/66/16/17/484661617.db2.gz LCFSPEYRVPWWRQ-UONOGXRCSA-N 0 3 351.451 -0.539 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 ZINC000656386965 484661387 /nfs/dbraw/zinc/66/13/87/484661387.db2.gz LCFSPEYRVPWWRQ-ZIAGYGMSSA-N 0 3 351.451 -0.539 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 ZINC000656387775 484661496 /nfs/dbraw/zinc/66/14/96/484661496.db2.gz GBWDTJZGFHUXHU-AWEZNQCLSA-N 0 3 351.451 -0.538 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 ZINC000656387776 484660799 /nfs/dbraw/zinc/66/07/99/484660799.db2.gz GBWDTJZGFHUXHU-CQSZACIVSA-N 0 3 351.451 -0.538 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 ZINC000656388471 484663189 /nfs/dbraw/zinc/66/31/89/484663189.db2.gz JUGXEBQPEXTMQN-AWEZNQCLSA-N 0 3 353.467 -0.292 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 ZINC000656388472 484662762 /nfs/dbraw/zinc/66/27/62/484662762.db2.gz JUGXEBQPEXTMQN-CQSZACIVSA-N 0 3 353.467 -0.292 20 0 FBADHN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(C[C@@H]2CNCCO2)C1=O ZINC000656611421 484676139 /nfs/dbraw/zinc/67/61/39/484676139.db2.gz HOMRDJBYVSWLNR-BBRMVZONSA-N 0 3 357.374 -0.582 20 0 FBADHN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(C[C@H]2CNCCO2)C1=O ZINC000656611422 484675339 /nfs/dbraw/zinc/67/53/39/484675339.db2.gz HOMRDJBYVSWLNR-CJNGLKHVSA-N 0 3 357.374 -0.582 20 0 FBADHN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(C[C@H]2CNCCO2)C1=O ZINC000656611423 484675464 /nfs/dbraw/zinc/67/54/64/484675464.db2.gz HOMRDJBYVSWLNR-CZUORRHYSA-N 0 3 357.374 -0.582 20 0 FBADHN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(C[C@@H]2CNCCO2)C1=O ZINC000656611424 484675705 /nfs/dbraw/zinc/67/57/05/484675705.db2.gz HOMRDJBYVSWLNR-XJKSGUPXSA-N 0 3 357.374 -0.582 20 0 FBADHN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@H]1CNCCO1 ZINC000656611573 484676119 /nfs/dbraw/zinc/67/61/19/484676119.db2.gz LGNRRULMJHCBLL-GFCCVEGCSA-N 0 3 369.443 -0.063 20 0 FBADHN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@@H]1CNCCO1 ZINC000656611577 484676245 /nfs/dbraw/zinc/67/62/45/484676245.db2.gz LGNRRULMJHCBLL-LBPRGKRZSA-N 0 3 369.443 -0.063 20 0 FBADHN C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H]2CNCCO2)C1=O ZINC000656612228 484676107 /nfs/dbraw/zinc/67/61/07/484676107.db2.gz SOVDTXFHGJSKEP-BBRMVZONSA-N 0 3 357.374 -0.582 20 0 FBADHN C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H]2CNCCO2)C1=O ZINC000656612229 484675740 /nfs/dbraw/zinc/67/57/40/484675740.db2.gz SOVDTXFHGJSKEP-CJNGLKHVSA-N 0 3 357.374 -0.582 20 0 FBADHN C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H]2CNCCO2)C1=O ZINC000656612230 484676097 /nfs/dbraw/zinc/67/60/97/484676097.db2.gz SOVDTXFHGJSKEP-CZUORRHYSA-N 0 3 357.374 -0.582 20 0 FBADHN C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H]2CNCCO2)C1=O ZINC000656612231 484675849 /nfs/dbraw/zinc/67/58/49/484675849.db2.gz SOVDTXFHGJSKEP-XJKSGUPXSA-N 0 3 357.374 -0.582 20 0 FBADHN COC1CCN(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 ZINC000656892732 484689539 /nfs/dbraw/zinc/68/95/39/484689539.db2.gz GPJHOPRKEZTKSC-CYBMUJFWSA-N 0 3 362.496 -0.481 20 0 FBADHN COC1CCN(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 ZINC000656892740 484689920 /nfs/dbraw/zinc/68/99/20/484689920.db2.gz GPJHOPRKEZTKSC-ZDUSSCGKSA-N 0 3 362.496 -0.481 20 0 FBADHN CO[C@@H](CS(=O)(=O)N(CCN(C)C)CCN(C)C)[C@@H]1CCOC1 ZINC000656893667 484689867 /nfs/dbraw/zinc/68/98/67/484689867.db2.gz FDWWSCCVWSKFPI-CABCVRRESA-N 0 3 351.513 -0.207 20 0 FBADHN CO[C@@H](CS(=O)(=O)N(CCN(C)C)CCN(C)C)[C@H]1CCOC1 ZINC000656893674 484689372 /nfs/dbraw/zinc/68/93/72/484689372.db2.gz FDWWSCCVWSKFPI-GJZGRUSLSA-N 0 3 351.513 -0.207 20 0 FBADHN CO[C@H](CS(=O)(=O)N(CCN(C)C)CCN(C)C)[C@@H]1CCOC1 ZINC000656893676 484689719 /nfs/dbraw/zinc/68/97/19/484689719.db2.gz FDWWSCCVWSKFPI-HUUCEWRRSA-N 0 3 351.513 -0.207 20 0 FBADHN CO[C@H](CS(=O)(=O)N(CCN(C)C)CCN(C)C)[C@H]1CCOC1 ZINC000656893677 484690061 /nfs/dbraw/zinc/69/00/61/484690061.db2.gz FDWWSCCVWSKFPI-LSDHHAIUSA-N 0 3 351.513 -0.207 20 0 FBADHN COC1CCN(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000656895114 484690269 /nfs/dbraw/zinc/69/02/69/484690269.db2.gz QNSOZCMAGXUPJN-UHFFFAOYSA-N 0 3 374.507 -0.418 20 0 FBADHN COC1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000656937134 484695796 /nfs/dbraw/zinc/69/57/96/484695796.db2.gz GFDUXSALPMHSFK-HNNXBMFYSA-N 0 3 374.507 -0.420 20 0 FBADHN COC1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000656937135 484695759 /nfs/dbraw/zinc/69/57/59/484695759.db2.gz GFDUXSALPMHSFK-OAHLLOKOSA-N 0 3 374.507 -0.420 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000656965864 484698271 /nfs/dbraw/zinc/69/82/71/484698271.db2.gz QBQIFLJNHBEXTC-BZUAXINKSA-N 0 3 363.524 -0.017 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000656965867 484699292 /nfs/dbraw/zinc/69/92/92/484699292.db2.gz QBQIFLJNHBEXTC-OAGGEKHMSA-N 0 3 363.524 -0.017 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000656965869 484698403 /nfs/dbraw/zinc/69/84/03/484698403.db2.gz QBQIFLJNHBEXTC-OWCLPIDISA-N 0 3 363.524 -0.017 20 0 FBADHN CCN1CCN([C@H](C)CNS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000656965873 484698504 /nfs/dbraw/zinc/69/85/04/484698504.db2.gz QBQIFLJNHBEXTC-PMPSAXMXSA-N 0 3 363.524 -0.017 20 0 FBADHN CO[C@@H](CS(=O)(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000656980916 484700751 /nfs/dbraw/zinc/70/07/51/484700751.db2.gz KMJIPZGTQLIAFH-CABCVRRESA-N 0 3 363.524 -0.017 20 0 FBADHN CO[C@@H](CS(=O)(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCOC1 ZINC000656980917 484700345 /nfs/dbraw/zinc/70/03/45/484700345.db2.gz KMJIPZGTQLIAFH-GJZGRUSLSA-N 0 3 363.524 -0.017 20 0 FBADHN CO[C@H](CS(=O)(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000656980918 484700268 /nfs/dbraw/zinc/70/02/68/484700268.db2.gz KMJIPZGTQLIAFH-HUUCEWRRSA-N 0 3 363.524 -0.017 20 0 FBADHN CO[C@H](CS(=O)(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCOC1 ZINC000656980919 484700021 /nfs/dbraw/zinc/70/00/21/484700021.db2.gz KMJIPZGTQLIAFH-LSDHHAIUSA-N 0 3 363.524 -0.017 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000657009795 484706809 /nfs/dbraw/zinc/70/68/09/484706809.db2.gz YIEIVBQVGKRRGL-HNNXBMFYSA-N 0 3 360.480 -0.431 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000657009796 484706517 /nfs/dbraw/zinc/70/65/17/484706517.db2.gz YIEIVBQVGKRRGL-OAHLLOKOSA-N 0 3 360.480 -0.431 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)[C@@H]1CCOC1 ZINC000657019495 484707828 /nfs/dbraw/zinc/70/78/28/484707828.db2.gz AMHXCNFBMBKXHE-BFHYXJOUSA-N 0 3 363.480 -0.581 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)[C@H]1CCOC1 ZINC000657019496 484708485 /nfs/dbraw/zinc/70/84/85/484708485.db2.gz AMHXCNFBMBKXHE-HZSPNIEDSA-N 0 3 363.480 -0.581 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)[C@H]1CCOC1 ZINC000657019497 484708928 /nfs/dbraw/zinc/70/89/28/484708928.db2.gz AMHXCNFBMBKXHE-MELADBBJSA-N 0 3 363.480 -0.581 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)[C@@H]1CCOC1 ZINC000657019498 484708033 /nfs/dbraw/zinc/70/80/33/484708033.db2.gz AMHXCNFBMBKXHE-MGPQQGTHSA-N 0 3 363.480 -0.581 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000657020173 484708953 /nfs/dbraw/zinc/70/89/53/484708953.db2.gz QOCTYEKUUIUZCM-GFCCVEGCSA-N 0 3 368.459 -0.166 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000657020174 484708423 /nfs/dbraw/zinc/70/84/23/484708423.db2.gz QOCTYEKUUIUZCM-LBPRGKRZSA-N 0 3 368.459 -0.166 20 0 FBADHN CO[C@@H](CS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CCOC1 ZINC000657020924 484708176 /nfs/dbraw/zinc/70/81/76/484708176.db2.gz JVXZYLXWIGLEKG-KBPBESRZSA-N 0 3 363.480 -0.927 20 0 FBADHN CO[C@@H](CS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CCOC1 ZINC000657020925 484708556 /nfs/dbraw/zinc/70/85/56/484708556.db2.gz JVXZYLXWIGLEKG-KGLIPLIRSA-N 0 3 363.480 -0.927 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CCOC1 ZINC000657020926 484708783 /nfs/dbraw/zinc/70/87/83/484708783.db2.gz JVXZYLXWIGLEKG-UONOGXRCSA-N 0 3 363.480 -0.927 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CCOC1 ZINC000657020927 484708695 /nfs/dbraw/zinc/70/86/95/484708695.db2.gz JVXZYLXWIGLEKG-ZIAGYGMSSA-N 0 3 363.480 -0.927 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000657021481 484708237 /nfs/dbraw/zinc/70/82/37/484708237.db2.gz XULPWHQABREYAJ-UHFFFAOYSA-N 0 3 368.459 -0.512 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCN(C(C)(C)C)C1 ZINC000657032984 484710338 /nfs/dbraw/zinc/71/03/38/484710338.db2.gz ILKFQKJWUQDXJM-GFCCVEGCSA-N 0 3 355.526 -0.035 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCN(C(C)(C)C)C1 ZINC000657032985 484710130 /nfs/dbraw/zinc/71/01/30/484710130.db2.gz ILKFQKJWUQDXJM-LBPRGKRZSA-N 0 3 355.526 -0.035 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCc1nc(C(N)=O)co1 ZINC000657070368 484713977 /nfs/dbraw/zinc/71/39/77/484713977.db2.gz FQVPYOYQRSKEHD-UHFFFAOYSA-N 0 3 370.435 -0.373 20 0 FBADHN Cn1nncc1S(=O)(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657083663 484718070 /nfs/dbraw/zinc/71/80/70/484718070.db2.gz DGUGLZJEFNRBNZ-AWEZNQCLSA-N 0 3 351.432 -0.140 20 0 FBADHN Cn1nncc1S(=O)(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657083667 484718664 /nfs/dbraw/zinc/71/86/64/484718664.db2.gz DGUGLZJEFNRBNZ-CQSZACIVSA-N 0 3 351.432 -0.140 20 0 FBADHN O=S(=O)(NCc1ccc(CN2CC[C@H](O)C2)cc1)N1CCOCC1 ZINC000657085086 484718380 /nfs/dbraw/zinc/71/83/80/484718380.db2.gz LPPCANNHQPEYHN-INIZCTEOSA-N 0 3 355.460 -0.080 20 0 FBADHN O=S(=O)(NCc1ccc(CN2CC[C@@H](O)C2)cc1)N1CCOCC1 ZINC000657085087 484717891 /nfs/dbraw/zinc/71/78/91/484717891.db2.gz LPPCANNHQPEYHN-MRXNPFEDSA-N 0 3 355.460 -0.080 20 0 FBADHN C[C@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)[NH+](C)C ZINC000657091948 484718006 /nfs/dbraw/zinc/71/80/06/484718006.db2.gz YFKTVERLMRSVBD-SECBINFHSA-N 0 3 355.420 -0.347 20 0 FBADHN C[C@@H](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)[NH+](C)C ZINC000657091950 484718680 /nfs/dbraw/zinc/71/86/80/484718680.db2.gz YFKTVERLMRSVBD-VIFPVBQESA-N 0 3 355.420 -0.347 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000657100267 484722266 /nfs/dbraw/zinc/72/22/66/484722266.db2.gz KWGPJBFPAOSTGR-KBPBESRZSA-N 0 3 362.473 -0.162 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000657100268 484721966 /nfs/dbraw/zinc/72/19/66/484721966.db2.gz KWGPJBFPAOSTGR-KGLIPLIRSA-N 0 3 362.473 -0.162 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000657100269 484722403 /nfs/dbraw/zinc/72/24/03/484722403.db2.gz KWGPJBFPAOSTGR-UONOGXRCSA-N 0 3 362.473 -0.162 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000657100270 484722624 /nfs/dbraw/zinc/72/26/24/484722624.db2.gz KWGPJBFPAOSTGR-ZIAGYGMSSA-N 0 3 362.473 -0.162 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(=O)N(C)CC1 ZINC000657183656 484738870 /nfs/dbraw/zinc/73/88/70/484738870.db2.gz JGYFCRBPDBFQMK-UHFFFAOYSA-N 0 3 357.480 -0.086 20 0 FBADHN CS(=O)(=O)N1CCN(CCNCc2ccnn2-c2ccncc2)CC1 ZINC000657346358 484754708 /nfs/dbraw/zinc/75/47/08/484754708.db2.gz CNBMFMOVUIHLTH-UHFFFAOYSA-N 0 3 364.475 -0.066 20 0 FBADHN CC[C@@H]1OCC[C@H]1NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000657365849 484763135 /nfs/dbraw/zinc/76/31/35/484763135.db2.gz PAICPXOKOLERIM-CVEARBPZSA-N 0 3 368.478 -0.854 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@H](C)O1 ZINC000657442464 484775337 /nfs/dbraw/zinc/77/53/37/484775337.db2.gz OXFDSKYUEHRITK-OWCLPIDISA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@H](C)O1 ZINC000657442465 484775483 /nfs/dbraw/zinc/77/54/83/484775483.db2.gz OXFDSKYUEHRITK-XHSDSOJGSA-N 0 3 352.479 -0.139 20 0 FBADHN CCN1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 ZINC000657450922 484772924 /nfs/dbraw/zinc/77/29/24/484772924.db2.gz ISFMOVHMEFPSSK-INIZCTEOSA-N 0 3 351.495 -0.611 20 0 FBADHN CCN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1 ZINC000657450923 484773305 /nfs/dbraw/zinc/77/33/05/484773305.db2.gz ISFMOVHMEFPSSK-MRXNPFEDSA-N 0 3 351.495 -0.611 20 0 FBADHN CC(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)nn1 ZINC000657518985 484788117 /nfs/dbraw/zinc/78/81/17/484788117.db2.gz VDTHCCMTWTVXEV-GFCCVEGCSA-N 0 3 353.423 -0.121 20 0 FBADHN CC(C)CCOc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)nn1 ZINC000657518986 484789002 /nfs/dbraw/zinc/78/90/02/484789002.db2.gz VDTHCCMTWTVXEV-LBPRGKRZSA-N 0 3 353.423 -0.121 20 0 FBADHN Cc1nn(C)c(N2CCOCC2)c1CNCCCN(C)S(C)(=O)=O ZINC000657527194 484790338 /nfs/dbraw/zinc/79/03/38/484790338.db2.gz SDCULUFEEXMURB-UHFFFAOYSA-N 0 3 359.496 -0.064 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)Nc1cc(C)nnc1N(C)C ZINC000657528751 484790469 /nfs/dbraw/zinc/79/04/69/484790469.db2.gz JRPIUWZLBPCYLY-UHFFFAOYSA-N 0 3 352.439 -0.126 20 0 FBADHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657529367 484791005 /nfs/dbraw/zinc/79/10/05/484791005.db2.gz USMIZRUVCLPVPB-UHFFFAOYSA-N 0 3 362.430 -0.005 20 0 FBADHN CCCCN(CCO)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000657567032 484794846 /nfs/dbraw/zinc/79/48/46/484794846.db2.gz IDAOHZXRJHNKFR-INIZCTEOSA-N 0 3 354.495 -0.154 20 0 FBADHN CCCCN(CCO)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000657567033 484794245 /nfs/dbraw/zinc/79/42/45/484794245.db2.gz IDAOHZXRJHNKFR-MRXNPFEDSA-N 0 3 354.495 -0.154 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3CCO)CC2)C1 ZINC000657588263 484796186 /nfs/dbraw/zinc/79/61/86/484796186.db2.gz VMRSBTVZRMXMKS-DLBZAZTESA-N 0 3 366.506 -0.012 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3CCO)CC2)C1 ZINC000657588264 484796461 /nfs/dbraw/zinc/79/64/61/484796461.db2.gz VMRSBTVZRMXMKS-IAGOWNOFSA-N 0 3 366.506 -0.012 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3CCO)CC2)C1 ZINC000657588265 484796440 /nfs/dbraw/zinc/79/64/40/484796440.db2.gz VMRSBTVZRMXMKS-IRXDYDNUSA-N 0 3 366.506 -0.012 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3CCO)CC2)C1 ZINC000657588266 484795703 /nfs/dbraw/zinc/79/57/03/484795703.db2.gz VMRSBTVZRMXMKS-SJORKVTESA-N 0 3 366.506 -0.012 20 0 FBADHN Cn1cc(CNCc2ccc(CN3CC[C@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595758 484797760 /nfs/dbraw/zinc/79/77/60/484797760.db2.gz RZFLRTDUSVHJIB-KRWDZBQOSA-N 0 3 358.442 -0.060 20 0 FBADHN Cn1cc(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595763 484797238 /nfs/dbraw/zinc/79/72/38/484797238.db2.gz RZFLRTDUSVHJIB-QGZVFWFLSA-N 0 3 358.442 -0.060 20 0 FBADHN CN1CCN(c2ncc(CNC[C@@]3(OCCO)CCOC3)cn2)CC1 ZINC000657597402 484798205 /nfs/dbraw/zinc/79/82/05/484798205.db2.gz NJYIZXXOPYLUHK-KRWDZBQOSA-N 0 3 351.451 -0.514 20 0 FBADHN CN1CCN(c2ncc(CNC[C@]3(OCCO)CCOC3)cn2)CC1 ZINC000657597403 484797918 /nfs/dbraw/zinc/79/79/18/484797918.db2.gz NJYIZXXOPYLUHK-QGZVFWFLSA-N 0 3 351.451 -0.514 20 0 FBADHN Cc1nn(C)c(N2CCOCC2)c1CNC[C@@]1(OCCO)CCOC1 ZINC000657597446 484797490 /nfs/dbraw/zinc/79/74/90/484797490.db2.gz OQWKXEXYRAMIMG-KRWDZBQOSA-N 0 3 354.451 -0.177 20 0 FBADHN Cc1nn(C)c(N2CCOCC2)c1CNC[C@]1(OCCO)CCOC1 ZINC000657597447 484797715 /nfs/dbraw/zinc/79/77/15/484797715.db2.gz OQWKXEXYRAMIMG-QGZVFWFLSA-N 0 3 354.451 -0.177 20 0 FBADHN CCn1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000657617017 484799172 /nfs/dbraw/zinc/79/91/72/484799172.db2.gz NWABAHTZEPRHCU-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN CCn1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000657617019 484798884 /nfs/dbraw/zinc/79/88/84/484798884.db2.gz NWABAHTZEPRHCU-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN Cc1cnn(C)c1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000657617607 484800133 /nfs/dbraw/zinc/80/01/33/484800133.db2.gz VVBIDCHABNUEIN-CYBMUJFWSA-N 0 3 364.450 -0.274 20 0 FBADHN Cc1cnn(C)c1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000657617608 484798816 /nfs/dbraw/zinc/79/88/16/484798816.db2.gz VVBIDCHABNUEIN-ZDUSSCGKSA-N 0 3 364.450 -0.274 20 0 FBADHN Cc1cn(C)nc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000657617665 484799103 /nfs/dbraw/zinc/79/91/03/484799103.db2.gz YUKLLFVBVAERIO-CYBMUJFWSA-N 0 3 364.450 -0.274 20 0 FBADHN Cc1cn(C)nc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000657617666 484799559 /nfs/dbraw/zinc/79/95/59/484799559.db2.gz YUKLLFVBVAERIO-ZDUSSCGKSA-N 0 3 364.450 -0.274 20 0 FBADHN Cc1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000657623219 484799226 /nfs/dbraw/zinc/79/92/26/484799226.db2.gz LCAGECXJILCGDE-UHFFFAOYSA-N 0 3 362.434 -0.566 20 0 FBADHN Cc1cn(C)nc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000657623220 484799324 /nfs/dbraw/zinc/79/93/24/484799324.db2.gz LEOVNAOVTHTXDM-UHFFFAOYSA-N 0 3 362.434 -0.566 20 0 FBADHN CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000657623241 484799420 /nfs/dbraw/zinc/79/94/20/484799420.db2.gz PCXDZSSLEOPMFN-UHFFFAOYSA-N 0 3 362.434 -0.392 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2c(C)cnn2C)CC1 ZINC000657623561 484798998 /nfs/dbraw/zinc/79/89/98/484798998.db2.gz KVKUJLJXHYDCFD-UHFFFAOYSA-N 0 3 364.450 -0.320 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC)n2)CC1 ZINC000657623569 484799575 /nfs/dbraw/zinc/79/95/75/484799575.db2.gz LFIUXPKIKNUKJU-UHFFFAOYSA-N 0 3 364.450 -0.146 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2nn(C)cc2C)CC1 ZINC000657623666 484799051 /nfs/dbraw/zinc/79/90/51/484799051.db2.gz SUQYXOQLTWYIBY-UHFFFAOYSA-N 0 3 364.450 -0.320 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C)nnc1N(C)C ZINC000657626170 484799017 /nfs/dbraw/zinc/79/90/17/484799017.db2.gz PHXOFDFFUSEVAJ-UHFFFAOYSA-N 0 3 352.439 -0.174 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657626238 484799439 /nfs/dbraw/zinc/79/94/39/484799439.db2.gz TTYNRBXHTVRXJT-UHFFFAOYSA-N 0 3 362.430 -0.052 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000657631461 484800394 /nfs/dbraw/zinc/80/03/94/484800394.db2.gz LWADOYYCLCZSIY-UHFFFAOYSA-N 0 3 368.459 -0.162 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(C)nnc1N(C)C ZINC000657678418 484804340 /nfs/dbraw/zinc/80/43/40/484804340.db2.gz FRHQRGCRQGQYNS-UHFFFAOYSA-N 0 3 352.439 -0.126 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657680721 484804090 /nfs/dbraw/zinc/80/40/90/484804090.db2.gz VVAVCFJSGHRAOH-UHFFFAOYSA-N 0 3 362.430 -0.005 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000657687866 484804453 /nfs/dbraw/zinc/80/44/53/484804453.db2.gz MQVAKHJTFCYWQU-CABCVRRESA-N 0 3 364.446 -0.857 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000657687869 484804218 /nfs/dbraw/zinc/80/42/18/484804218.db2.gz MQVAKHJTFCYWQU-GJZGRUSLSA-N 0 3 364.446 -0.857 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000657687872 484804261 /nfs/dbraw/zinc/80/42/61/484804261.db2.gz MQVAKHJTFCYWQU-HUUCEWRRSA-N 0 3 364.446 -0.857 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000657687875 484804235 /nfs/dbraw/zinc/80/42/35/484804235.db2.gz MQVAKHJTFCYWQU-LSDHHAIUSA-N 0 3 364.446 -0.857 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccnc(OCCO)c2)CCSC1 ZINC000657700292 484805331 /nfs/dbraw/zinc/80/53/31/484805331.db2.gz VQWIXMKGTIONKU-INIZCTEOSA-N 0 3 368.459 -0.055 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccnc(OCCO)c2)CCSC1 ZINC000657700293 484805637 /nfs/dbraw/zinc/80/56/37/484805637.db2.gz VQWIXMKGTIONKU-MRXNPFEDSA-N 0 3 368.459 -0.055 20 0 FBADHN Cc1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000657738403 484809419 /nfs/dbraw/zinc/80/94/19/484809419.db2.gz FTVCHQAVDTULKP-CYBMUJFWSA-N 0 3 362.434 -0.568 20 0 FBADHN Cc1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000657738404 484809231 /nfs/dbraw/zinc/80/92/31/484809231.db2.gz FTVCHQAVDTULKP-ZDUSSCGKSA-N 0 3 362.434 -0.568 20 0 FBADHN Cc1cn(C)nc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000657738420 484810353 /nfs/dbraw/zinc/81/03/53/484810353.db2.gz HUXZIPVIYUJQKS-CYBMUJFWSA-N 0 3 362.434 -0.568 20 0 FBADHN Cc1cn(C)nc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000657738421 484809685 /nfs/dbraw/zinc/80/96/85/484809685.db2.gz HUXZIPVIYUJQKS-ZDUSSCGKSA-N 0 3 362.434 -0.568 20 0 FBADHN CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000657739086 484810496 /nfs/dbraw/zinc/81/04/96/484810496.db2.gz YHIDMARLZJWBAW-CYBMUJFWSA-N 0 3 362.434 -0.394 20 0 FBADHN CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000657739088 484809623 /nfs/dbraw/zinc/80/96/23/484809623.db2.gz YHIDMARLZJWBAW-ZDUSSCGKSA-N 0 3 362.434 -0.394 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C[C@@H]21 ZINC000657741528 484810094 /nfs/dbraw/zinc/81/00/94/484810094.db2.gz MSJPVOYBZOZWOC-OAGGEKHMSA-N 0 3 350.463 -0.528 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C[C@@H]21 ZINC000657741530 484810242 /nfs/dbraw/zinc/81/02/42/484810242.db2.gz MSJPVOYBZOZWOC-PMPSAXMXSA-N 0 3 350.463 -0.528 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000657741741 484809483 /nfs/dbraw/zinc/80/94/83/484809483.db2.gz XBOUCVUSOGIIQZ-INIZCTEOSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000657741743 484809856 /nfs/dbraw/zinc/80/98/56/484809856.db2.gz XBOUCVUSOGIIQZ-MRXNPFEDSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000657743947 484810478 /nfs/dbraw/zinc/81/04/78/484810478.db2.gz FCOHXJVEEKFWIL-CVEARBPZSA-N 0 3 352.479 -0.138 20 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/nfs/dbraw/zinc/81/87/23/484818723.db2.gz ASBWKKDCXSSDJL-GOSISDBHSA-N 0 3 371.485 -0.010 20 0 FBADHN Cn1cc(CNC[C@H]2CN(C)CCN2Cc2ccccc2)c(=O)n(C)c1=O ZINC000657800039 484818768 /nfs/dbraw/zinc/81/87/68/484818768.db2.gz ASBWKKDCXSSDJL-SFHVURJKSA-N 0 3 371.485 -0.010 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000657801233 484818826 /nfs/dbraw/zinc/81/88/26/484818826.db2.gz PLEGOEWLODHJSJ-UHFFFAOYSA-N 0 3 362.430 -0.316 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000657802260 484817741 /nfs/dbraw/zinc/81/77/41/484817741.db2.gz XPDRSIPJKFZWFA-UHFFFAOYSA-N 0 3 362.430 -0.316 20 0 FBADHN COCc1nccc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)n1 ZINC000657839042 484825926 /nfs/dbraw/zinc/82/59/26/484825926.db2.gz KFPHLLRHCIGHPL-UHFFFAOYSA-N 0 3 352.439 -0.487 20 0 FBADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c(N(C)C)nn1 ZINC000657839145 484825644 /nfs/dbraw/zinc/82/56/44/484825644.db2.gz MXLLQOHTWZDFAG-UHFFFAOYSA-N 0 3 365.482 -0.259 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000657863502 484841570 /nfs/dbraw/zinc/84/15/70/484841570.db2.gz JKMIGVLHGLKVEW-UHFFFAOYSA-N 0 3 362.430 -0.052 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000657865488 484840686 /nfs/dbraw/zinc/84/06/86/484840686.db2.gz ZBLHUPAOHVRLAD-UHFFFAOYSA-N 0 3 362.430 -0.052 20 0 FBADHN Cc1cn(C)nc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000657865814 484840835 /nfs/dbraw/zinc/84/08/35/484840835.db2.gz TWGQDPVWQXPKQV-ZDUSSCGKSA-N 0 3 366.466 -0.124 20 0 FBADHN Cc1cnn(C)c1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000657865949 484840470 /nfs/dbraw/zinc/84/04/70/484840470.db2.gz VPGLQEHMTFTQAA-ZDUSSCGKSA-N 0 3 366.466 -0.124 20 0 FBADHN COCCOCCN(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657870114 484842259 /nfs/dbraw/zinc/84/22/59/484842259.db2.gz ADIAJNXPUWVGMT-UHFFFAOYSA-N 0 3 350.419 -0.148 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@@H](C)O1 ZINC000657870514 484842565 /nfs/dbraw/zinc/84/25/65/484842565.db2.gz 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Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c(N(C)C)nn1 ZINC000657982033 485000197 /nfs/dbraw/zinc/00/01/97/485000197.db2.gz LALOPNAZCMKPPK-CYBMUJFWSA-N 0 3 364.450 -0.247 20 0 FBADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c(N(C)C)nn1 ZINC000657982034 485000162 /nfs/dbraw/zinc/00/01/62/485000162.db2.gz LALOPNAZCMKPPK-ZDUSSCGKSA-N 0 3 364.450 -0.247 20 0 FBADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657982035 485001188 /nfs/dbraw/zinc/00/11/88/485001188.db2.gz LAWBFZTWXVAKDY-HNNXBMFYSA-N 0 3 374.441 -0.126 20 0 FBADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657982036 485000106 /nfs/dbraw/zinc/00/01/06/485000106.db2.gz LAWBFZTWXVAKDY-OAHLLOKOSA-N 0 3 374.441 -0.126 20 0 FBADHN COCc1nccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000658040512 485048538 /nfs/dbraw/zinc/04/85/38/485048538.db2.gz OBXLTZHMRNWAKM-LLVKDONJSA-N 0 3 364.406 -0.860 20 0 FBADHN COCc1nccc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000658040514 485048325 /nfs/dbraw/zinc/04/83/25/485048325.db2.gz OBXLTZHMRNWAKM-NSHDSACASA-N 0 3 364.406 -0.860 20 0 FBADHN CCn1ncc(C)c1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000658041545 485049888 /nfs/dbraw/zinc/04/98/88/485049888.db2.gz ZMBFENUITBEFSQ-GFCCVEGCSA-N 0 3 350.423 -0.272 20 0 FBADHN CCn1ncc(C)c1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000658041546 485049629 /nfs/dbraw/zinc/04/96/29/485049629.db2.gz ZMBFENUITBEFSQ-LBPRGKRZSA-N 0 3 350.423 -0.272 20 0 FBADHN Cc1cn2ccc(NC(=O)C(=O)N3CCN(CCN(C)C)C(=O)C3)cc2n1 ZINC000658045282 485054996 /nfs/dbraw/zinc/05/49/96/485054996.db2.gz GTJRMBLOCFHNBC-UHFFFAOYSA-N 0 3 372.429 -0.186 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCOC3)CC1=O ZINC000658047471 485055945 /nfs/dbraw/zinc/05/59/45/485055945.db2.gz QUNLXNUQOKZVDR-UHFFFAOYSA-N 0 3 374.441 -0.070 20 0 FBADHN CCn1ncc(C)c1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000658048055 485056071 /nfs/dbraw/zinc/05/60/71/485056071.db2.gz VRBNUXPMWQODBI-UHFFFAOYSA-N 0 3 350.423 -0.618 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCO1 ZINC000658063240 485065494 /nfs/dbraw/zinc/06/54/94/485065494.db2.gz DDKMJWBMBVDAIE-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCO1 ZINC000658063241 485065637 /nfs/dbraw/zinc/06/56/37/485065637.db2.gz DDKMJWBMBVDAIE-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCO1 ZINC000658063242 485065265 /nfs/dbraw/zinc/06/52/65/485065265.db2.gz DDKMJWBMBVDAIE-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCO1 ZINC000658063243 485065052 /nfs/dbraw/zinc/06/50/52/485065052.db2.gz DDKMJWBMBVDAIE-JKSUJKDBSA-N 0 3 352.479 -0.138 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000658084633 485082979 /nfs/dbraw/zinc/08/29/79/485082979.db2.gz XCDMZASEPBNZCR-UHFFFAOYSA-N 0 3 356.511 -0.052 20 0 FBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCNC3=O)cc2)CC1 ZINC000658098960 485093977 /nfs/dbraw/zinc/09/39/77/485093977.db2.gz STDIMZWOYQSBRC-INIZCTEOSA-N 0 3 373.457 -0.233 20 0 FBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCNC3=O)c2)CC1 ZINC000658104558 485097807 /nfs/dbraw/zinc/09/78/07/485097807.db2.gz XQCCAJVHGYLXOA-HNNXBMFYSA-N 0 3 359.430 -0.228 20 0 FBADHN COc1cc(NC(=O)C(=O)N[C@H]2CCNC2=O)ccc1OCCN(C)C ZINC000658105886 485098766 /nfs/dbraw/zinc/09/87/66/485098766.db2.gz LRDURWKTPVZWBV-LBPRGKRZSA-N 0 3 364.402 -0.421 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)cc1F ZINC000658107394 485103625 /nfs/dbraw/zinc/10/36/25/485103625.db2.gz UNCOOZFUHGJSKX-LBPRGKRZSA-N 0 3 352.366 -0.291 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN(C4CC4)CC3)CC2)C1 ZINC000658191802 485128994 /nfs/dbraw/zinc/12/89/94/485128994.db2.gz MDVRRNCJOBWTTD-KRWDZBQOSA-N 0 3 363.506 -0.469 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN(C4CC4)CC3)CC2)C1 ZINC000658191803 485129185 /nfs/dbraw/zinc/12/91/85/485129185.db2.gz MDVRRNCJOBWTTD-QGZVFWFLSA-N 0 3 363.506 -0.469 20 0 FBADHN CN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000658197884 485130337 /nfs/dbraw/zinc/13/03/37/485130337.db2.gz VEZRBKKRNLSTOT-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000658197888 485130239 /nfs/dbraw/zinc/13/02/39/485130239.db2.gz VEZRBKKRNLSTOT-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000658197893 485130161 /nfs/dbraw/zinc/13/01/61/485130161.db2.gz VEZRBKKRNLSTOT-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000658197897 485130062 /nfs/dbraw/zinc/13/00/62/485130062.db2.gz VEZRBKKRNLSTOT-JKSUJKDBSA-N 0 3 352.479 -0.138 20 0 FBADHN CCN1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000658216499 485131788 /nfs/dbraw/zinc/13/17/88/485131788.db2.gz MHNAVTSSJUVEFQ-INIZCTEOSA-N 0 3 352.479 -0.279 20 0 FBADHN CCN1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000658216500 485131497 /nfs/dbraw/zinc/13/14/97/485131497.db2.gz MHNAVTSSJUVEFQ-MRXNPFEDSA-N 0 3 352.479 -0.279 20 0 FBADHN CCN1CCCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 ZINC000658222213 485132281 /nfs/dbraw/zinc/13/22/81/485132281.db2.gz OTGOCICEZKRNON-KRWDZBQOSA-N 0 3 365.522 -0.221 20 0 FBADHN CCN1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1 ZINC000658222216 485133108 /nfs/dbraw/zinc/13/31/08/485133108.db2.gz OTGOCICEZKRNON-QGZVFWFLSA-N 0 3 365.522 -0.221 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)n1 ZINC000658227380 485133594 /nfs/dbraw/zinc/13/35/94/485133594.db2.gz VPGFMNHNXMVKNK-CYBMUJFWSA-N 0 3 360.422 -0.477 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)n1 ZINC000658227382 485134251 /nfs/dbraw/zinc/13/42/51/485134251.db2.gz VPGFMNHNXMVKNK-ZDUSSCGKSA-N 0 3 360.422 -0.477 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)cn1 ZINC000658228131 485134100 /nfs/dbraw/zinc/13/41/00/485134100.db2.gz GJLYFXOMTTUBJR-CYBMUJFWSA-N 0 3 360.422 -0.477 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)cn1 ZINC000658228132 485134140 /nfs/dbraw/zinc/13/41/40/485134140.db2.gz GJLYFXOMTTUBJR-ZDUSSCGKSA-N 0 3 360.422 -0.477 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)C[C@@H]21 ZINC000658228901 485133985 /nfs/dbraw/zinc/13/39/85/485133985.db2.gz FLVKFVPFWNJWKU-ZBFHGGJFSA-N 0 3 371.441 -0.472 20 0 FBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1 ZINC000658261556 485139785 /nfs/dbraw/zinc/13/97/85/485139785.db2.gz LWMVJKYKNJJYPW-GFCCVEGCSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)n1 ZINC000658261557 485139287 /nfs/dbraw/zinc/13/92/87/485139287.db2.gz LWMVJKYKNJJYPW-LBPRGKRZSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cn1 ZINC000658262443 485139555 /nfs/dbraw/zinc/13/95/55/485139555.db2.gz SYROPDIKYSXGCO-GFCCVEGCSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cn1 ZINC000658262444 485139912 /nfs/dbraw/zinc/13/99/12/485139912.db2.gz SYROPDIKYSXGCO-LBPRGKRZSA-N 0 3 364.450 -0.101 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1C ZINC000658265322 485139055 /nfs/dbraw/zinc/13/90/55/485139055.db2.gz XZDSSDQSZJGSNA-GFCCVEGCSA-N 0 3 364.450 -0.135 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1C ZINC000658265323 485139033 /nfs/dbraw/zinc/13/90/33/485139033.db2.gz XZDSSDQSZJGSNA-LBPRGKRZSA-N 0 3 364.450 -0.135 20 0 FBADHN CC(C)n1[nH]cnc1=NC(=O)C(=O)N[C@@H](C)CN(C)CCCN(C)C ZINC000658339422 485143561 /nfs/dbraw/zinc/14/35/61/485143561.db2.gz RVYXATPDGWCHBG-ZDUSSCGKSA-N 0 3 353.471 -0.392 20 0 FBADHN CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCN3CC[NH2+]CC3)cc2C1 ZINC000658364467 485143953 /nfs/dbraw/zinc/14/39/53/485143953.db2.gz NQWBIIGJHHCZRH-UHFFFAOYSA-N 0 3 372.516 -0.164 20 0 FBADHN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(C)C[C@H]3CN)cc2C1 ZINC000658372836 483977365 /nfs/dbraw/zinc/97/73/65/483977365.db2.gz OOOVCZMJDLKGMQ-CYBMUJFWSA-N 0 3 372.516 -0.084 20 0 FBADHN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(C)C[C@@H]3CN)cc2C1 ZINC000658372837 483977455 /nfs/dbraw/zinc/97/74/55/483977455.db2.gz OOOVCZMJDLKGMQ-ZDUSSCGKSA-N 0 3 372.516 -0.084 20 0 FBADHN COCCNCCNS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O ZINC000658377039 483448332 /nfs/dbraw/zinc/44/83/32/483448332.db2.gz NMPTYKJSCYALRK-UHFFFAOYSA-N 0 3 371.459 -0.115 20 0 FBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000658377981 483453903 /nfs/dbraw/zinc/45/39/03/483453903.db2.gz JOFMGPIITSRNCG-UHFFFAOYSA-N 0 3 374.488 -0.799 20 0 FBADHN CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H]3CNCCO3)cc2C1 ZINC000658382507 485144122 /nfs/dbraw/zinc/14/41/22/485144122.db2.gz NYJYPEHMJCBIRZ-GFCCVEGCSA-N 0 3 359.473 -0.081 20 0 FBADHN CC(=O)N1CCc2sc(S(=O)(=O)NC[C@@H]3CNCCO3)cc2C1 ZINC000658382508 485144333 /nfs/dbraw/zinc/14/43/33/485144333.db2.gz NYJYPEHMJCBIRZ-LBPRGKRZSA-N 0 3 359.473 -0.081 20 0 FBADHN COc1cc2c(cc1S(=O)(=O)NC[C@H]1CNCCO1)C(=O)NCCC2 ZINC000658382678 485143840 /nfs/dbraw/zinc/14/38/40/485143840.db2.gz WXOJMUSBSLFDCW-GFCCVEGCSA-N 0 3 369.443 -0.362 20 0 FBADHN COc1cc2c(cc1S(=O)(=O)NC[C@@H]1CNCCO1)C(=O)NCCC2 ZINC000658382679 485144567 /nfs/dbraw/zinc/14/45/67/485144567.db2.gz WXOJMUSBSLFDCW-LBPRGKRZSA-N 0 3 369.443 -0.362 20 0 FBADHN Cc1cc(C(N)=O)cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000658384040 483555931 /nfs/dbraw/zinc/55/59/31/483555931.db2.gz SOOQIDDAXBJAKN-LSDHHAIUSA-N 0 3 363.443 -0.057 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC3([NH3+])CCCC3)cnc21 ZINC000658388939 485144372 /nfs/dbraw/zinc/14/43/72/485144372.db2.gz CUOIVSWQQRNPNS-UHFFFAOYSA-N 0 3 353.404 -0.416 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(CN4CCOCC4)CC3)C[C@@H]21 ZINC000658393070 485143873 /nfs/dbraw/zinc/14/38/73/485143873.db2.gz JXTSIYVKWTYAAB-SJORKVTESA-N 0 3 364.490 -0.280 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CC4CC3(C[NH3+])C4)cc2c(=O)[n-]c1=O ZINC000658396495 484076980 /nfs/dbraw/zinc/07/69/80/484076980.db2.gz NWGCOOCGTVGZGQ-UHFFFAOYSA-N 0 3 351.388 -0.854 20 0 FBADHN C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H](C[NH3+])C1 ZINC000658400710 483928384 /nfs/dbraw/zinc/92/83/84/483928384.db2.gz XAHKGNDYINCILN-ZJUUUORDSA-N 0 3 367.431 -0.218 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC12CC(C1)C[NH2+]2 ZINC000658403389 485143911 /nfs/dbraw/zinc/14/39/11/485143911.db2.gz FITUJRSRFYEBAL-UHFFFAOYSA-N 0 3 359.473 -0.033 20 0 FBADHN Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC34CC(C3)C[NH2+]4)cnc21 ZINC000658403718 485143937 /nfs/dbraw/zinc/14/39/37/485143937.db2.gz JUJUTVGEVSUNLD-UHFFFAOYSA-N 0 3 351.388 -0.936 20 0 FBADHN CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000658406690 484649263 /nfs/dbraw/zinc/64/92/63/484649263.db2.gz QLUWPMBZWXXICV-LLVKDONJSA-N 0 3 355.420 -0.314 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000658407558 484679795 /nfs/dbraw/zinc/67/97/95/484679795.db2.gz ACEOARZINKEBEK-CHWSQXEVSA-N 0 3 365.452 -0.003 20 0 FBADHN N[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC[C@H]1F ZINC000658407808 484683743 /nfs/dbraw/zinc/68/37/43/484683743.db2.gz CKSCMLJURMILRU-CHWSQXEVSA-N 0 3 365.452 -0.334 20 0 FBADHN Cn1c2ncc(S(=O)(=O)N3CC[C@@H](F)[C@H](N)C3)cc2c(=O)[nH]c1=O ZINC000658407838 484683123 /nfs/dbraw/zinc/68/31/23/484683123.db2.gz DTJVADPRWXIDBY-NXEZZACHSA-N 0 3 357.367 -0.906 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1C ZINC000658407932 484684013 /nfs/dbraw/zinc/68/40/13/484684013.db2.gz FRJGBLNKPNUMID-VXGBXAGGSA-N 0 3 365.452 -0.037 20 0 FBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000658407993 484693389 /nfs/dbraw/zinc/69/33/89/484693389.db2.gz IAFVGVQBTHSKDF-VXGBXAGGSA-N 0 3 351.425 -0.346 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000658408062 485144236 /nfs/dbraw/zinc/14/42/36/485144236.db2.gz WEXKGVOSEAFOES-CHWSQXEVSA-N 0 3 365.452 -0.003 20 0 FBADHN CCc1nn(C)c(CC)c1S(=O)(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000658408469 484712887 /nfs/dbraw/zinc/71/28/87/484712887.db2.gz HXPFUIVXCIHPAY-UHFFFAOYSA-N 0 3 354.436 -0.022 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000658408514 484719856 /nfs/dbraw/zinc/71/98/56/484719856.db2.gz JNBVZGAOABHCNR-UHFFFAOYSA-N 0 3 363.399 -0.595 20 0 FBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658408540 484718323 /nfs/dbraw/zinc/71/83/23/484718323.db2.gz UZTDMQKHWBSVOG-GHMZBOCLSA-N 0 3 365.452 -0.003 20 0 FBADHN C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000658411430 485059883 /nfs/dbraw/zinc/05/98/83/485059883.db2.gz OWEYXPNFAWTYEJ-BJOHPYRUSA-N 0 3 370.431 -0.364 20 0 FBADHN C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000658411438 485060693 /nfs/dbraw/zinc/06/06/93/485060693.db2.gz OWEYXPNFAWTYEJ-PSLIRLAXSA-N 0 3 370.431 -0.364 20 0 FBADHN C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000658411441 485060248 /nfs/dbraw/zinc/06/02/48/485060248.db2.gz OWEYXPNFAWTYEJ-RFAUZJTJSA-N 0 3 370.431 -0.364 20 0 FBADHN C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000658411442 485060352 /nfs/dbraw/zinc/06/03/52/485060352.db2.gz OWEYXPNFAWTYEJ-VFZGTOFNSA-N 0 3 370.431 -0.364 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658413490 485143889 /nfs/dbraw/zinc/14/38/89/485143889.db2.gz IIUYQMIPADUDKO-HNNXBMFYSA-N 0 3 362.430 -0.926 20 0 FBADHN CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658413491 485144302 /nfs/dbraw/zinc/14/43/02/485144302.db2.gz IIUYQMIPADUDKO-OAHLLOKOSA-N 0 3 362.430 -0.926 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@]2(OCCO)CCOC2)c1 ZINC000658414198 485099416 /nfs/dbraw/zinc/09/94/16/485099416.db2.gz MSVMOEARUSRXDN-GOSISDBHSA-N 0 3 365.430 -0.029 20 0 FBADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@]2(OCCO)CCOC2)c1 ZINC000658414200 485099120 /nfs/dbraw/zinc/09/91/20/485099120.db2.gz MSVMOEARUSRXDN-SFHVURJKSA-N 0 3 365.430 -0.029 20 0 FBADHN C[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](C)CO1 ZINC000658419511 485180325 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CO[C@]1(CO)CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000658441660 485146584 /nfs/dbraw/zinc/14/65/84/485146584.db2.gz YHKRWOGDPDNZQD-MRXNPFEDSA-N 0 3 353.423 -0.617 20 0 FBADHN O=C(C(=O)N1CCN([C@H]2CCOC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000658442653 485146680 /nfs/dbraw/zinc/14/66/80/485146680.db2.gz RYUMBPKGAMHSNJ-KRWDZBQOSA-N 0 3 373.457 -0.337 20 0 FBADHN O=C(C(=O)N1CCN([C@@H]2CCOC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000658442654 484229464 /nfs/dbraw/zinc/22/94/64/484229464.db2.gz RYUMBPKGAMHSNJ-QGZVFWFLSA-N 0 3 373.457 -0.337 20 0 FBADHN NC(=O)c1csc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000658443542 485147516 /nfs/dbraw/zinc/14/75/16/485147516.db2.gz XNBPPPDYXDRAIV-UHFFFAOYSA-N 0 3 374.426 -0.398 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000658450191 485146923 /nfs/dbraw/zinc/14/69/23/485146923.db2.gz MNWZXOOGXMYPTJ-KBPBESRZSA-N 0 3 369.443 -0.385 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000658450194 485147118 /nfs/dbraw/zinc/14/71/18/485147118.db2.gz MNWZXOOGXMYPTJ-KGLIPLIRSA-N 0 3 369.443 -0.385 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000658450197 485147020 /nfs/dbraw/zinc/14/70/20/485147020.db2.gz MNWZXOOGXMYPTJ-UONOGXRCSA-N 0 3 369.443 -0.385 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000658450198 484489986 /nfs/dbraw/zinc/48/99/86/484489986.db2.gz MNWZXOOGXMYPTJ-ZIAGYGMSSA-N 0 3 369.443 -0.385 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)C(=O)N(C)CCN(C)C)CC2)nn1 ZINC000658451653 485147960 /nfs/dbraw/zinc/14/79/60/485147960.db2.gz AMMCCOWKLAAOGY-UHFFFAOYSA-N 0 3 364.450 -0.456 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658455401 484987265 /nfs/dbraw/zinc/98/72/65/484987265.db2.gz LLGRWYLZGOSLRU-UHFFFAOYSA-N 0 3 355.464 -0.096 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658455404 484986845 /nfs/dbraw/zinc/98/68/45/484986845.db2.gz LOGALCDWWGZSMS-INIZCTEOSA-N 0 3 354.495 -0.034 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658455407 484987453 /nfs/dbraw/zinc/98/74/53/484987453.db2.gz LOGALCDWWGZSMS-MRXNPFEDSA-N 0 3 354.495 -0.034 20 0 FBADHN CCN(C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)[C@H]1CCN(CC)C1 ZINC000658467091 485150875 /nfs/dbraw/zinc/15/08/75/485150875.db2.gz AWXCZDKAAYKPNC-AWEZNQCLSA-N 0 3 364.450 -0.148 20 0 FBADHN CCN(C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)[C@@H]1CCN(CC)C1 ZINC000658467094 485150726 /nfs/dbraw/zinc/15/07/26/485150726.db2.gz AWXCZDKAAYKPNC-CQSZACIVSA-N 0 3 364.450 -0.148 20 0 FBADHN CCN(C(=O)C(=O)Nc1cnn(CC(=O)NC)c1)[C@@H]1CCN(CC)C1 ZINC000658468423 485078564 /nfs/dbraw/zinc/07/85/64/485078564.db2.gz OIJATGXUYOMADK-CYBMUJFWSA-N 0 3 350.423 -0.490 20 0 FBADHN CCN(C(=O)C(=O)Nc1cnn(CC(=O)NC)c1)[C@H]1CCN(CC)C1 ZINC000658468425 485079214 /nfs/dbraw/zinc/07/92/14/485079214.db2.gz OIJATGXUYOMADK-ZDUSSCGKSA-N 0 3 350.423 -0.490 20 0 FBADHN CCN(C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1)[C@@H]1CCN(CC)C1 ZINC000658469130 485150566 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CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000658483925 485151535 /nfs/dbraw/zinc/15/15/35/485151535.db2.gz WLCMWHTYCZLBTN-UHFFFAOYSA-N 0 3 354.382 -0.043 20 0 FBADHN CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000658484108 485151700 /nfs/dbraw/zinc/15/17/00/485151700.db2.gz YFMHZPQEGAUMGZ-UHFFFAOYSA-N 0 3 366.418 -0.174 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658486529 485151383 /nfs/dbraw/zinc/15/13/83/485151383.db2.gz IUNQEOSQMLFUMH-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658486530 485151822 /nfs/dbraw/zinc/15/18/22/485151822.db2.gz IUNQEOSQMLFUMH-HOTGVXAUSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658486531 485151318 /nfs/dbraw/zinc/15/13/18/485151318.db2.gz IUNQEOSQMLFUMH-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658486532 485151410 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FBADHN CN(CCOCCO)C(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659082834 485207389 /nfs/dbraw/zinc/20/73/89/485207389.db2.gz IZPWHIDPTUNCHJ-OAHLLOKOSA-N 0 3 351.403 -0.247 20 0 FBADHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000659083605 485207505 /nfs/dbraw/zinc/20/75/05/485207505.db2.gz OOBXVOLVYRFIDA-OWCLPIDISA-N 0 3 361.398 -0.088 20 0 FBADHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000659083606 485207132 /nfs/dbraw/zinc/20/71/32/485207132.db2.gz OOBXVOLVYRFIDA-XHSDSOJGSA-N 0 3 361.398 -0.088 20 0 FBADHN C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659083647 485207302 /nfs/dbraw/zinc/20/73/02/485207302.db2.gz PGISVRVSBNMWJU-PNPHSEOMSA-N 0 3 363.414 -0.058 20 0 FBADHN C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659083648 485207478 /nfs/dbraw/zinc/20/74/78/485207478.db2.gz PGISVRVSBNMWJU-QITLCBANSA-N 0 3 363.414 -0.058 20 0 FBADHN C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659083649 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374.445 -0.146 20 0 FBADHN O=C(Nc1cnc(N2CCNCC2)nc1)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000659088379 485208222 /nfs/dbraw/zinc/20/82/22/485208222.db2.gz IGUPWPFHBWDPHB-SFHVURJKSA-N 0 3 374.445 -0.146 20 0 FBADHN CN1CCc2c(NC(=O)C(=O)N3CCOC4(CNC4)C3)cccc2C1=O ZINC000659088562 485208458 /nfs/dbraw/zinc/20/84/58/485208458.db2.gz YOFGUZVETJHIMC-UHFFFAOYSA-N 0 3 358.398 -0.546 20 0 FBADHN CN1CCc2cc(NC(=O)C(=O)N3CCOC4(CNC4)C3)ccc2C1=O ZINC000659088672 485208333 /nfs/dbraw/zinc/20/83/33/485208333.db2.gz ZOGPFBFYZFAUSL-UHFFFAOYSA-N 0 3 358.398 -0.546 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC000659091245 485208037 /nfs/dbraw/zinc/20/80/37/485208037.db2.gz FAYCQXPXPSSLFC-UHFFFAOYSA-N 0 3 356.448 -0.258 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])ccc1F ZINC000659092202 485208268 /nfs/dbraw/zinc/20/82/68/485208268.db2.gz OEMFNFPPEMVIFO-UHFFFAOYSA-N 0 3 360.411 -0.132 20 0 FBADHN CN(CCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2)S(C)(=O)=O ZINC000659092264 485208535 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CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000659095234 485208054 /nfs/dbraw/zinc/20/80/54/485208054.db2.gz DRVTYSBDOBEPJA-UONOGXRCSA-N 0 3 367.427 -0.801 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000659095236 485208292 /nfs/dbraw/zinc/20/82/92/485208292.db2.gz DRVTYSBDOBEPJA-ZIAGYGMSSA-N 0 3 367.427 -0.801 20 0 FBADHN C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)Nc1cnc(N3CCNCC3)nc1)C2 ZINC000659095253 485208255 /nfs/dbraw/zinc/20/82/55/485208255.db2.gz FGBCYNLAXIENTQ-HDICACEKSA-N 0 3 374.445 -0.290 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000659095453 485208390 /nfs/dbraw/zinc/20/83/90/485208390.db2.gz KDIRDGOCLJZDOG-KBPBESRZSA-N 0 3 367.427 -0.801 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000659095454 485208249 /nfs/dbraw/zinc/20/82/49/485208249.db2.gz KDIRDGOCLJZDOG-KGLIPLIRSA-N 0 3 367.427 -0.801 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000659095455 485208594 /nfs/dbraw/zinc/20/85/94/485208594.db2.gz KDIRDGOCLJZDOG-UONOGXRCSA-N 0 3 367.427 -0.801 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000659095456 485208560 /nfs/dbraw/zinc/20/85/60/485208560.db2.gz KDIRDGOCLJZDOG-ZIAGYGMSSA-N 0 3 367.427 -0.801 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000659095748 485208232 /nfs/dbraw/zinc/20/82/32/485208232.db2.gz RGLYAVYOIRUAFP-CHWSQXEVSA-N 0 3 355.416 -0.727 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659095750 485208095 /nfs/dbraw/zinc/20/80/95/485208095.db2.gz RGLYAVYOIRUAFP-OLZOCXBDSA-N 0 3 355.416 -0.727 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000659095751 485208195 /nfs/dbraw/zinc/20/81/95/485208195.db2.gz RGLYAVYOIRUAFP-QWHCGFSZSA-N 0 3 355.416 -0.727 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659095753 485208431 /nfs/dbraw/zinc/20/84/31/485208431.db2.gz RGLYAVYOIRUAFP-STQMWFEESA-N 0 3 355.416 -0.727 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000659095773 485208203 /nfs/dbraw/zinc/20/82/03/485208203.db2.gz SAXNOEACVFGKJN-CHWSQXEVSA-N 0 3 355.416 -0.727 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000659095774 485208484 /nfs/dbraw/zinc/20/84/84/485208484.db2.gz SAXNOEACVFGKJN-OLZOCXBDSA-N 0 3 355.416 -0.727 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000659095776 484218346 /nfs/dbraw/zinc/21/83/46/484218346.db2.gz SAXNOEACVFGKJN-QWHCGFSZSA-N 0 3 355.416 -0.727 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000659095780 484219115 /nfs/dbraw/zinc/21/91/15/484219115.db2.gz SAXNOEACVFGKJN-STQMWFEESA-N 0 3 355.416 -0.727 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000659095949 485209092 /nfs/dbraw/zinc/20/90/92/485209092.db2.gz WTEVSROOIOMYCY-CHWSQXEVSA-N 0 3 355.416 -0.680 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000659095950 485209411 /nfs/dbraw/zinc/20/94/11/485209411.db2.gz WTEVSROOIOMYCY-OLZOCXBDSA-N 0 3 355.416 -0.680 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000659095951 485208905 /nfs/dbraw/zinc/20/89/05/485208905.db2.gz WTEVSROOIOMYCY-QWHCGFSZSA-N 0 3 355.416 -0.680 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000659095952 485209351 /nfs/dbraw/zinc/20/93/51/485209351.db2.gz WTEVSROOIOMYCY-STQMWFEESA-N 0 3 355.416 -0.680 20 0 FBADHN O=C(Nc1cnc(N2CCNCC2)nc1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000659098745 485209148 /nfs/dbraw/zinc/20/91/48/485209148.db2.gz DZIZDCFRAVDGMV-GOSISDBHSA-N 0 3 374.445 -0.412 20 0 FBADHN O=C(Nc1cnc(N2CCNCC2)nc1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000659098746 485209301 /nfs/dbraw/zinc/20/93/01/485209301.db2.gz DZIZDCFRAVDGMV-SFHVURJKSA-N 0 3 374.445 -0.412 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000659098801 485209115 /nfs/dbraw/zinc/20/91/15/485209115.db2.gz GZVXQTHPIFJLGY-UHFFFAOYSA-N 0 3 369.447 -0.966 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000659099114 485209466 /nfs/dbraw/zinc/20/94/66/485209466.db2.gz RDGRCILXSSIMCL-UHFFFAOYSA-N 0 3 361.446 -0.293 20 0 FBADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC3CC2(CN)C3)ccc1F ZINC000659099372 485208967 /nfs/dbraw/zinc/20/89/67/485208967.db2.gz BAHUMTJOZNHTKS-UHFFFAOYSA-N 0 3 359.365 -0.002 20 0 FBADHN CN(c1ccccc1NC(=O)C(=O)N1CC2CC1(CN)C2)S(C)(=O)=O ZINC000659099374 485209226 /nfs/dbraw/zinc/20/92/26/485209226.db2.gz BCVCGTDNBRFJDQ-UHFFFAOYSA-N 0 3 366.443 -0.029 20 0 FBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC3CC2(CN)C3)c1C ZINC000659099577 485209322 /nfs/dbraw/zinc/20/93/22/485209322.db2.gz HTIDEXHTHBFKRN-UHFFFAOYSA-N 0 3 366.443 -0.161 20 0 FBADHN CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1 ZINC000659099582 485208897 /nfs/dbraw/zinc/20/88/97/485208897.db2.gz HXYBCYGXPKAABM-UHFFFAOYSA-N 0 3 366.443 -0.376 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000659099597 485209136 /nfs/dbraw/zinc/20/91/36/485209136.db2.gz IOGNDBMAWKBZRM-UHFFFAOYSA-N 0 3 374.445 -0.170 20 0 FBADHN CCc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1S(N)(=O)=O ZINC000659099871 485209018 /nfs/dbraw/zinc/20/90/18/485209018.db2.gz LMNGHIZNENWIHU-UHFFFAOYSA-N 0 3 366.443 -0.215 20 0 FBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659100149 485209127 /nfs/dbraw/zinc/20/91/27/485209127.db2.gz OJXRQCMLLKDECV-UHFFFAOYSA-N 0 3 366.443 -0.209 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1-n1nnnc1C ZINC000659100243 485209064 /nfs/dbraw/zinc/20/90/64/485209064.db2.gz UBBXFILHLHIHOS-UHFFFAOYSA-N 0 3 371.401 -0.132 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000659100283 485209340 /nfs/dbraw/zinc/20/93/40/485209340.db2.gz LNGNWPQJVZVIJY-FWHMADFJSA-N 0 3 370.409 -0.220 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000659100286 485208868 /nfs/dbraw/zinc/20/88/68/485208868.db2.gz LNGNWPQJVZVIJY-MLZJXEJWSA-N 0 3 370.409 -0.220 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1F ZINC000659100347 485209155 /nfs/dbraw/zinc/20/91/55/485209155.db2.gz NCKXMEIUPKQQTL-UHFFFAOYSA-N 0 3 370.406 -0.378 20 0 FBADHN CNCc1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000659100467 484261875 /nfs/dbraw/zinc/26/18/75/484261875.db2.gz AMMKEWOREDWJIJ-GFCCVEGCSA-N 0 3 368.459 -0.163 20 0 FBADHN Cc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1S(N)(=O)=O ZINC000659100544 485208994 /nfs/dbraw/zinc/20/89/94/485208994.db2.gz VYFBRXFVQOALFP-UHFFFAOYSA-N 0 3 352.416 -0.469 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1-n1cnnn1 ZINC000659100590 485209422 /nfs/dbraw/zinc/20/94/22/485209422.db2.gz XFJKBENPELBOTG-UHFFFAOYSA-N 0 3 357.374 -0.441 20 0 FBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC3CC2(CN)C3)c1C ZINC000659100622 485209329 /nfs/dbraw/zinc/20/93/29/485209329.db2.gz XTGDWIMNKVWEST-UHFFFAOYSA-N 0 3 366.443 -0.209 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000659100646 485208958 /nfs/dbraw/zinc/20/89/58/485208958.db2.gz YNFAOVLMHVNPSF-UHFFFAOYSA-N 0 3 356.379 -0.639 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1 ZINC000659100673 484261951 /nfs/dbraw/zinc/26/19/51/484261951.db2.gz QASPRIGSPVYBBO-UHFFFAOYSA-N 0 3 352.416 -0.517 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN)c2)CCN1S(C)(=O)=O ZINC000659100960 485209203 /nfs/dbraw/zinc/20/92/03/485209203.db2.gz GUPWODUGTCXNJM-LLVKDONJSA-N 0 3 354.432 -0.424 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CCN1S(C)(=O)=O ZINC000659100987 485209457 /nfs/dbraw/zinc/20/94/57/485209457.db2.gz HOZXJWIZZOKJGB-LLVKDONJSA-N 0 3 366.443 -0.279 20 0 FBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC4CC3(CN)C4)cc2)c1=O ZINC000659101095 485209485 /nfs/dbraw/zinc/20/94/85/485209485.db2.gz YSIPJCFNEVPRSU-UHFFFAOYSA-N 0 3 356.386 -0.541 20 0 FBADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659101125 485209438 /nfs/dbraw/zinc/20/94/38/485209438.db2.gz JUQVPADSGYWYAV-UHFFFAOYSA-N 0 3 360.414 -0.049 20 0 FBADHN COc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)c(S(C)(=O)=O)c1 ZINC000659101132 485209179 /nfs/dbraw/zinc/20/91/79/485209179.db2.gz JYXLXZRAVSMUCT-UHFFFAOYSA-N 0 3 367.427 -0.013 20 0 FBADHN C[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnc(N3CCNCC3)nc1)C2 ZINC000659101137 485208889 /nfs/dbraw/zinc/20/88/89/485208889.db2.gz KCYVHWFJHRJBCA-PXAZEXFGSA-N 0 3 360.418 -0.680 20 0 FBADHN C[C@]12COC[C@@H]1CN(C(=O)C(=O)Nc1cnc(N3CCNCC3)nc1)C2 ZINC000659101138 485209294 /nfs/dbraw/zinc/20/92/94/485209294.db2.gz KCYVHWFJHRJBCA-SJCJKPOMSA-N 0 3 360.418 -0.680 20 0 FBADHN C[C@@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnc(N3CCNCC3)nc1)C2 ZINC000659101139 485209418 /nfs/dbraw/zinc/20/94/18/485209418.db2.gz KCYVHWFJHRJBCA-SJKOYZFVSA-N 0 3 360.418 -0.680 20 0 FBADHN C[C@@]12COC[C@@H]1CN(C(=O)C(=O)Nc1cnc(N3CCNCC3)nc1)C2 ZINC000659101140 485209053 /nfs/dbraw/zinc/20/90/53/485209053.db2.gz KCYVHWFJHRJBCA-YVEFUNNKSA-N 0 3 360.418 -0.680 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000659101149 485209036 /nfs/dbraw/zinc/20/90/36/485209036.db2.gz KGVDINWQQUFQPZ-UHFFFAOYSA-N 0 3 371.441 -0.493 20 0 FBADHN CNCc1ccccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000659101365 485209261 /nfs/dbraw/zinc/20/92/61/485209261.db2.gz QUUOMMHGCOWEQY-GFCCVEGCSA-N 0 3 368.459 -0.163 20 0 FBADHN Cc1cc(CN)cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000659101418 485209101 /nfs/dbraw/zinc/20/91/01/485209101.db2.gz RPVFUGJYQPMQJU-GFCCVEGCSA-N 0 3 368.459 -0.115 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)c2ccccc2O1 ZINC000659101548 485209516 /nfs/dbraw/zinc/20/95/16/485209516.db2.gz BRBYRNLLKXFBGG-NDBLMLTRSA-N 0 3 358.398 -0.524 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)c2ccccc2O1 ZINC000659101549 485209074 /nfs/dbraw/zinc/20/90/74/485209074.db2.gz BRBYRNLLKXFBGG-QNNTWYEPSA-N 0 3 358.398 -0.524 20 0 FBADHN CN1CCN(C(=O)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCC1=O ZINC000659101717 485208985 /nfs/dbraw/zinc/20/89/85/485208985.db2.gz VCEDDZJCJLRJLX-HNNXBMFYSA-N 0 3 360.414 -0.023 20 0 FBADHN CN1CCN(C(=O)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCC1=O ZINC000659101718 485209028 /nfs/dbraw/zinc/20/90/28/485209028.db2.gz VCEDDZJCJLRJLX-OAHLLOKOSA-N 0 3 360.414 -0.023 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000659101828 485209004 /nfs/dbraw/zinc/20/90/04/485209004.db2.gz IWRFUQLVBDCPRD-UHFFFAOYSA-N 0 3 371.397 -0.373 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000659101843 485209085 /nfs/dbraw/zinc/20/90/85/485209085.db2.gz JUNDVYGKGLEERH-UHFFFAOYSA-N 0 3 371.397 -0.373 20 0 FBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC3CC2(CN)C3)ccc1C ZINC000659102248 485209476 /nfs/dbraw/zinc/20/94/76/485209476.db2.gz ULHSGVUBPOYXAT-UHFFFAOYSA-N 0 3 366.443 -0.209 20 0 FBADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659102446 485209490 /nfs/dbraw/zinc/20/94/90/485209490.db2.gz XBCJAGGWNNVIJJ-UHFFFAOYSA-N 0 3 366.443 -0.175 20 0 FBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(CN)c3)C[C@H]21 ZINC000659102722 485209382 /nfs/dbraw/zinc/20/93/82/485209382.db2.gz HBAFPIIOYFKEHD-MJBXVCDLSA-N 0 3 367.427 -0.646 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)C[C@H](C)O1 ZINC000659103631 485209268 /nfs/dbraw/zinc/20/92/68/485209268.db2.gz TZNUPVPJIADAML-OLZOCXBDSA-N 0 3 362.434 -0.149 20 0 FBADHN C[C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)O1 ZINC000659104095 485208877 /nfs/dbraw/zinc/20/88/77/485208877.db2.gz VVIJEAGGAVGTCC-GXTWGEPZSA-N 0 3 362.434 -0.102 20 0 FBADHN C[C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)O1 ZINC000659104096 485209445 /nfs/dbraw/zinc/20/94/45/485209445.db2.gz VVIJEAGGAVGTCC-JSGCOSHPSA-N 0 3 362.434 -0.102 20 0 FBADHN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)O1 ZINC000659104098 485209369 /nfs/dbraw/zinc/20/93/69/485209369.db2.gz VVIJEAGGAVGTCC-OCCSQVGLSA-N 0 3 362.434 -0.102 20 0 FBADHN C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)O1 ZINC000659104099 485209279 /nfs/dbraw/zinc/20/92/79/485209279.db2.gz VVIJEAGGAVGTCC-TZMCWYRMSA-N 0 3 362.434 -0.102 20 0 FBADHN C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccc1F ZINC000659104774 485210220 /nfs/dbraw/zinc/21/02/20/485210220.db2.gz RTNDFKWZTYTSQU-UHFFFAOYSA-N 0 3 370.406 -0.460 20 0 FBADHN Cc1cc2c(cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)OCO2 ZINC000659110700 485209902 /nfs/dbraw/zinc/20/99/02/485209902.db2.gz QGDKVCTVBZWXGR-UHFFFAOYSA-N 0 3 359.342 -0.067 20 0 FBADHN CN1CCc2ccc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cc21 ZINC000659111003 485209833 /nfs/dbraw/zinc/20/98/33/485209833.db2.gz VYMOWNMPVXQNES-UHFFFAOYSA-N 0 3 356.386 -0.112 20 0 FBADHN CCOc1ncc(C)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111008 485210364 /nfs/dbraw/zinc/21/03/64/485210364.db2.gz WDVWWUFMYCOVSZ-UHFFFAOYSA-N 0 3 360.374 -0.002 20 0 FBADHN C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000659114025 485211214 /nfs/dbraw/zinc/21/12/14/485211214.db2.gz ZZRZSTQIQAMXRW-SECBINFHSA-N 0 3 372.422 -0.071 20 0 FBADHN C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000659114026 485211325 /nfs/dbraw/zinc/21/13/25/485211325.db2.gz ZZRZSTQIQAMXRW-VIFPVBQESA-N 0 3 372.422 -0.071 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)S(C)(=O)=O ZINC000659114934 485211280 /nfs/dbraw/zinc/21/12/80/485211280.db2.gz SGJUWFNLTLSXKI-SECBINFHSA-N 0 3 357.407 -0.041 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2)S(C)(=O)=O ZINC000659114935 485210942 /nfs/dbraw/zinc/21/09/42/485210942.db2.gz SGJUWFNLTLSXKI-VIFPVBQESA-N 0 3 357.407 -0.041 20 0 FBADHN O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CCN(c2ccncc2)CC1 ZINC000659116581 485211369 /nfs/dbraw/zinc/21/13/69/485211369.db2.gz JLYXXTUSGTZVAO-CVEARBPZSA-N 0 3 371.441 0.000 20 0 FBADHN O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)N1CCN(c2ccncc2)CC1 ZINC000659116582 485211452 /nfs/dbraw/zinc/21/14/52/485211452.db2.gz JLYXXTUSGTZVAO-HOTGVXAUSA-N 0 3 371.441 0.000 20 0 FBADHN O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)N1CCN(c2ccncc2)CC1 ZINC000659116583 485211383 /nfs/dbraw/zinc/21/13/83/485211383.db2.gz JLYXXTUSGTZVAO-HZPDHXFCSA-N 0 3 371.441 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CN1c2ccccc2C[C@@H](NC(=O)C2(S(C)(=O)=O)CCNCC2)C1=O ZINC000659335683 485214186 /nfs/dbraw/zinc/21/41/86/485214186.db2.gz BOSCDAAQSHRWSZ-CYBMUJFWSA-N 0 3 365.455 -0.143 20 0 FBADHN CN1c2ccccc2C[C@H](NC(=O)C2(S(C)(=O)=O)CCNCC2)C1=O ZINC000659335692 485214787 /nfs/dbraw/zinc/21/47/87/485214787.db2.gz BOSCDAAQSHRWSZ-ZDUSSCGKSA-N 0 3 365.455 -0.143 20 0 FBADHN COCCNCC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659338205 484904030 /nfs/dbraw/zinc/90/40/30/484904030.db2.gz ZXDOEFKDBWBEAD-UHFFFAOYSA-N 0 3 359.224 -0.074 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCN1CCO ZINC000659345435 485214934 /nfs/dbraw/zinc/21/49/34/485214934.db2.gz UUGQEYODBQIOJC-INIZCTEOSA-N 0 3 366.506 -0.012 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCN1CCO ZINC000659345436 485214289 /nfs/dbraw/zinc/21/42/89/485214289.db2.gz UUGQEYODBQIOJC-MRXNPFEDSA-N 0 3 366.506 -0.012 20 0 FBADHN CN(CC1CCN(C)CC1)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000659356401 485216371 /nfs/dbraw/zinc/21/63/71/485216371.db2.gz KZPXPVPNSJZUTG-UHFFFAOYSA-N 0 3 354.495 -0.298 20 0 FBADHN CN(C(=O)C(=O)N1CCN(CCO)C(C)(C)C1)[C@H]1CCN(C2CC2)C1 ZINC000659364324 485216178 /nfs/dbraw/zinc/21/61/78/485216178.db2.gz PSXZSVIIEHDMCL-HNNXBMFYSA-N 0 3 352.479 -0.403 20 0 FBADHN CN(C(=O)C(=O)N1CCN(CCO)C(C)(C)C1)[C@@H]1CCN(C2CC2)C1 ZINC000659364325 485216261 /nfs/dbraw/zinc/21/62/61/485216261.db2.gz PSXZSVIIEHDMCL-OAHLLOKOSA-N 0 3 352.479 -0.403 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000659376376 485216330 /nfs/dbraw/zinc/21/63/30/485216330.db2.gz HHBJDYOCFFNTEH-CABCVRRESA-N 0 3 357.451 -0.571 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000659376377 485216434 /nfs/dbraw/zinc/21/64/34/485216434.db2.gz HHBJDYOCFFNTEH-GJZGRUSLSA-N 0 3 357.451 -0.571 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000659376379 485215670 /nfs/dbraw/zinc/21/56/70/485215670.db2.gz HHBJDYOCFFNTEH-HUUCEWRRSA-N 0 3 357.451 -0.571 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000659376381 485216402 /nfs/dbraw/zinc/21/64/02/485216402.db2.gz HHBJDYOCFFNTEH-LSDHHAIUSA-N 0 3 357.451 -0.571 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000659378727 485216025 /nfs/dbraw/zinc/21/60/25/485216025.db2.gz LZWARMALMCOHJR-INIZCTEOSA-N 0 3 370.494 -0.654 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000659378728 485216151 /nfs/dbraw/zinc/21/61/51/485216151.db2.gz LZWARMALMCOHJR-MRXNPFEDSA-N 0 3 370.494 -0.654 20 0 FBADHN CCc1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000659388556 485216081 /nfs/dbraw/zinc/21/60/81/485216081.db2.gz KFAABVAGMYPEPA-VXGBXAGGSA-N 0 3 363.393 -0.294 20 0 FBADHN N[C@@H]1CN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC[C@H]1F ZINC000659389845 485215909 /nfs/dbraw/zinc/21/59/09/485215909.db2.gz RTFVJRDEUTWLNA-HUUCEWRRSA-N 0 3 360.389 -0.044 20 0 FBADHN N[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC[C@H]1F ZINC000659390830 485215961 /nfs/dbraw/zinc/21/59/61/485215961.db2.gz IXDUNLIGYNYLEP-GHMZBOCLSA-N 0 3 361.395 -0.188 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659390990 485216387 /nfs/dbraw/zinc/21/63/87/485216387.db2.gz LDLWDLOXZCMCRU-CHWSQXEVSA-N 0 3 374.438 -0.443 20 0 FBADHN CC(C)N(C[C@@H](C)O)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659407532 485216975 /nfs/dbraw/zinc/21/69/75/485216975.db2.gz ZWNNOQJGEVWMFF-CVEARBPZSA-N 0 3 354.495 -0.157 20 0 FBADHN CC(C)N(C[C@H](C)O)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659407533 483435193 /nfs/dbraw/zinc/43/51/93/483435193.db2.gz ZWNNOQJGEVWMFF-HOTGVXAUSA-N 0 3 354.495 -0.157 20 0 FBADHN CC(C)N(C[C@@H](C)O)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659407534 483436326 /nfs/dbraw/zinc/43/63/26/483436326.db2.gz ZWNNOQJGEVWMFF-HZPDHXFCSA-N 0 3 354.495 -0.157 20 0 FBADHN CC(C)N(C[C@H](C)O)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659407535 483436008 /nfs/dbraw/zinc/43/60/08/483436008.db2.gz ZWNNOQJGEVWMFF-JKSUJKDBSA-N 0 3 354.495 -0.157 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659430201 485217717 /nfs/dbraw/zinc/21/77/17/485217717.db2.gz DHRPCSABRWXFCW-CYBMUJFWSA-N 0 3 352.439 -0.203 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659430202 485217681 /nfs/dbraw/zinc/21/76/81/485217681.db2.gz DHRPCSABRWXFCW-ZDUSSCGKSA-N 0 3 352.439 -0.203 20 0 FBADHN CC(C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCN(C)CC1 ZINC000659431656 485218162 /nfs/dbraw/zinc/21/81/62/485218162.db2.gz PEVKNCYVSOPNPK-AWEZNQCLSA-N 0 3 365.482 -0.288 20 0 FBADHN CC(C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCN(C)CC1 ZINC000659431657 485217970 /nfs/dbraw/zinc/21/79/70/485217970.db2.gz PEVKNCYVSOPNPK-CQSZACIVSA-N 0 3 365.482 -0.288 20 0 FBADHN CC(C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCOCC1 ZINC000659431680 485218385 /nfs/dbraw/zinc/21/83/85/485218385.db2.gz QDHSBOMEXAXUIS-CYBMUJFWSA-N 0 3 352.439 -0.203 20 0 FBADHN CC(C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCOCC1 ZINC000659431681 485218074 /nfs/dbraw/zinc/21/80/74/485218074.db2.gz QDHSBOMEXAXUIS-ZDUSSCGKSA-N 0 3 352.439 -0.203 20 0 FBADHN C[C@H]1CN(CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H](C)O1 ZINC000659431771 485218093 /nfs/dbraw/zinc/21/80/93/485218093.db2.gz YMQXKHNCRZEJMD-RYUDHWBXSA-N 0 3 352.439 -0.061 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H](C)O1 ZINC000659431772 485218245 /nfs/dbraw/zinc/21/82/45/485218245.db2.gz YMQXKHNCRZEJMD-TXEJJXNPSA-N 0 3 352.439 -0.061 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H](C)O1 ZINC000659431773 485218357 /nfs/dbraw/zinc/21/83/57/485218357.db2.gz YMQXKHNCRZEJMD-VXGBXAGGSA-N 0 3 352.439 -0.061 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000659437094 485219186 /nfs/dbraw/zinc/21/91/86/485219186.db2.gz AHRKMUZHQBYDLL-LLVKDONJSA-N 0 3 358.406 -0.101 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000659437095 485219449 /nfs/dbraw/zinc/21/94/49/485219449.db2.gz AHRKMUZHQBYDLL-NSHDSACASA-N 0 3 358.406 -0.101 20 0 FBADHN CC(C)(C)NS(=O)(=O)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659437976 485219029 /nfs/dbraw/zinc/21/90/29/485219029.db2.gz UVVFIPBZCXKVDU-UHFFFAOYSA-N 0 3 360.440 -0.842 20 0 FBADHN CCS(=O)(=O)N(C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659437987 485219006 /nfs/dbraw/zinc/21/90/06/485219006.db2.gz LDLZMGIZWSBHGU-UHFFFAOYSA-N 0 3 360.440 -0.888 20 0 FBADHN COc1ccc(C(=O)NCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659440609 485219824 /nfs/dbraw/zinc/21/98/24/485219824.db2.gz VQHOMPOLWNOFCR-UHFFFAOYSA-N 0 3 374.401 -0.121 20 0 FBADHN CCN(CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)S(C)(=O)=O ZINC000659441054 485219207 /nfs/dbraw/zinc/21/92/07/485219207.db2.gz YQLGLLFJNIZWLV-UHFFFAOYSA-N 0 3 360.440 -0.888 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCS(=O)(=O)c2ccccc2)n1 ZINC000659441815 485219773 /nfs/dbraw/zinc/21/97/73/485219773.db2.gz APLMFWHASACROX-UHFFFAOYSA-N 0 3 365.415 -0.086 20 0 FBADHN N[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC[C@H]1F ZINC000659453150 485219231 /nfs/dbraw/zinc/21/92/31/485219231.db2.gz RERQWAZUNXFUKA-GHMZBOCLSA-N 0 3 354.473 -0.554 20 0 FBADHN N[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[C@H]1F ZINC000659453317 485219412 /nfs/dbraw/zinc/21/94/12/485219412.db2.gz LBCSBMFEEVMUMC-JHJVBQTASA-N 0 3 366.459 -0.444 20 0 FBADHN N[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[C@H]1F ZINC000659453318 485219664 /nfs/dbraw/zinc/21/96/64/485219664.db2.gz LBCSBMFEEVMUMC-YNEHKIRRSA-N 0 3 366.459 -0.444 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCS(=O)(=O)NCC2CCC2)n1 ZINC000659453379 485219468 /nfs/dbraw/zinc/21/94/68/485219468.db2.gz ZBLGBNUQUDECIB-UHFFFAOYSA-N 0 3 372.451 -0.840 20 0 FBADHN Cn1cc(N2CCC[C@@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)cn1 ZINC000659458895 485219349 /nfs/dbraw/zinc/21/93/49/485219349.db2.gz AQFLEHPFRYEOEU-LLVKDONJSA-N 0 3 360.422 -0.157 20 0 FBADHN Cn1cc(N2CCC[C@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)cn1 ZINC000659458899 485219749 /nfs/dbraw/zinc/21/97/49/485219749.db2.gz AQFLEHPFRYEOEU-NSHDSACASA-N 0 3 360.422 -0.157 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNC(=O)c2cccs2)n1 ZINC000659477561 485220918 /nfs/dbraw/zinc/22/09/18/485220918.db2.gz KWXMDTOVLKLKKG-UHFFFAOYSA-N 0 3 350.404 -0.068 20 0 FBADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC000659479218 485220761 /nfs/dbraw/zinc/22/07/61/485220761.db2.gz IRJVRDRIUSXOOD-JHJVBQTASA-N 0 3 352.414 -0.008 20 0 FBADHN Cn1ccnc1CN1CCC[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC000659479219 485220437 /nfs/dbraw/zinc/22/04/37/485220437.db2.gz IRJVRDRIUSXOOD-UPJWGTAASA-N 0 3 352.414 -0.008 20 0 FBADHN Cc1cnn(C[C@H]2CN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CCO2)c1 ZINC000659487650 485222622 /nfs/dbraw/zinc/22/26/22/485222622.db2.gz SAOXVTNHGYBEMU-OAGGEKHMSA-N 0 3 361.446 -0.419 20 0 FBADHN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CCO2)c1 ZINC000659487651 485222119 /nfs/dbraw/zinc/22/21/19/485222119.db2.gz SAOXVTNHGYBEMU-PMPSAXMXSA-N 0 3 361.446 -0.419 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659491013 485223540 /nfs/dbraw/zinc/22/35/40/485223540.db2.gz CVUIJMGTMDCHKB-GXSJLCMTSA-N 0 3 372.451 -0.842 20 0 FBADHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659491014 485224462 /nfs/dbraw/zinc/22/44/62/485224462.db2.gz CVUIJMGTMDCHKB-KOLCDFICSA-N 0 3 372.451 -0.842 20 0 FBADHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659491015 485223296 /nfs/dbraw/zinc/22/32/96/485223296.db2.gz CVUIJMGTMDCHKB-MWLCHTKSSA-N 0 3 372.451 -0.842 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659491016 485224351 /nfs/dbraw/zinc/22/43/51/485224351.db2.gz CVUIJMGTMDCHKB-ONGXEEELSA-N 0 3 372.451 -0.842 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659492808 485223854 /nfs/dbraw/zinc/22/38/54/485223854.db2.gz LMRPVCZTQOKKKN-IJLUTSLNSA-N 0 3 351.448 -0.662 20 0 FBADHN COc1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1S(N)(=O)=O ZINC000659493796 485223686 /nfs/dbraw/zinc/22/36/86/485223686.db2.gz NDPBLCIPLJMVTE-GHMZBOCLSA-N 0 3 360.411 -0.077 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659496265 485223321 /nfs/dbraw/zinc/22/33/21/485223321.db2.gz UBOZVGMXORZJHA-LLVKDONJSA-N 0 3 372.451 -0.746 20 0 FBADHN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659496266 485223728 /nfs/dbraw/zinc/22/37/28/485223728.db2.gz UBOZVGMXORZJHA-NSHDSACASA-N 0 3 372.451 -0.746 20 0 FBADHN O=C(CNC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)N1CCNCC1 ZINC000659509411 485226123 /nfs/dbraw/zinc/22/61/23/485226123.db2.gz ZORXZBGDLGRONO-HUUCEWRRSA-N 0 3 365.478 -0.639 20 0 FBADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)C[C@@H](C)O2 ZINC000659512073 485225558 /nfs/dbraw/zinc/22/55/58/485225558.db2.gz JQRBFXRLJPEQSR-ADAWSYLGSA-N 0 3 369.462 -0.430 20 0 FBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)C[C@@H](C)O2 ZINC000659512075 485225493 /nfs/dbraw/zinc/22/54/93/485225493.db2.gz JQRBFXRLJPEQSR-ATNYBXOESA-N 0 3 369.462 -0.430 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)C[C@@H](C)O2 ZINC000659512077 485226171 /nfs/dbraw/zinc/22/61/71/485226171.db2.gz JQRBFXRLJPEQSR-BASYENTBSA-N 0 3 369.462 -0.430 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)C[C@@H](C)O2 ZINC000659512079 485225423 /nfs/dbraw/zinc/22/54/23/485225423.db2.gz JQRBFXRLJPEQSR-FSZRXZPDSA-N 0 3 369.462 -0.430 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CCO2 ZINC000659513391 485225570 /nfs/dbraw/zinc/22/55/70/485225570.db2.gz TXCICBSCWCZCMM-GRDNDAEWSA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)CCO2 ZINC000659513395 485225768 /nfs/dbraw/zinc/22/57/68/485225768.db2.gz TXCICBSCWCZCMM-JJRVBVJISA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)CCO2 ZINC000659513397 485225360 /nfs/dbraw/zinc/22/53/60/485225360.db2.gz TXCICBSCWCZCMM-VBQJREDUSA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CCO2 ZINC000659513400 485225988 /nfs/dbraw/zinc/22/59/88/485225988.db2.gz TXCICBSCWCZCMM-ZQIUZPCESA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)C[C@@]2(CCOC2)O1 ZINC000659513405 485225935 /nfs/dbraw/zinc/22/59/35/485225935.db2.gz UUHKREAGWXOBHQ-CKEIUWERSA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)C[C@]2(CCOC2)O1 ZINC000659513407 485225431 /nfs/dbraw/zinc/22/54/31/485225431.db2.gz UUHKREAGWXOBHQ-CPUCHLNUSA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)C[C@@]2(CCOC2)O1 ZINC000659513408 485225185 /nfs/dbraw/zinc/22/51/85/485225185.db2.gz UUHKREAGWXOBHQ-JKIFEVAISA-N 0 3 355.435 -0.818 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)C[C@]2(CCOC2)O1 ZINC000659513410 485225784 /nfs/dbraw/zinc/22/57/84/485225784.db2.gz 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485226101 /nfs/dbraw/zinc/22/61/01/485226101.db2.gz QOUMRUWVHMYBIY-MRXNPFEDSA-N 0 3 350.463 -0.384 20 0 FBADHN CCc1nc([C@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CCO2)n[nH]1 ZINC000659521809 485225527 /nfs/dbraw/zinc/22/55/27/485225527.db2.gz WPOYRYYODULIGR-CHWSQXEVSA-N 0 3 362.434 -0.426 20 0 FBADHN CCc1nnc([C@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CCO2)[nH]1 ZINC000659521809 485225524 /nfs/dbraw/zinc/22/55/24/485225524.db2.gz WPOYRYYODULIGR-CHWSQXEVSA-N 0 3 362.434 -0.426 20 0 FBADHN CCc1nc([C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CCO2)n[nH]1 ZINC000659521810 485225928 /nfs/dbraw/zinc/22/59/28/485225928.db2.gz WPOYRYYODULIGR-OLZOCXBDSA-N 0 3 362.434 -0.426 20 0 FBADHN CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)CCO2)[nH]1 ZINC000659521810 485225924 /nfs/dbraw/zinc/22/59/24/485225924.db2.gz WPOYRYYODULIGR-OLZOCXBDSA-N 0 3 362.434 -0.426 20 0 FBADHN CCc1nc([C@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CCO2)n[nH]1 ZINC000659521811 485225407 /nfs/dbraw/zinc/22/54/07/485225407.db2.gz WPOYRYYODULIGR-QWHCGFSZSA-N 0 3 362.434 -0.426 20 0 FBADHN CCc1nnc([C@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CCO2)[nH]1 ZINC000659521811 485225402 /nfs/dbraw/zinc/22/54/02/485225402.db2.gz WPOYRYYODULIGR-QWHCGFSZSA-N 0 3 362.434 -0.426 20 0 FBADHN CCc1nc([C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CCO2)n[nH]1 ZINC000659521813 485225223 /nfs/dbraw/zinc/22/52/23/485225223.db2.gz WPOYRYYODULIGR-STQMWFEESA-N 0 3 362.434 -0.426 20 0 FBADHN CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)CCO2)[nH]1 ZINC000659521813 485225217 /nfs/dbraw/zinc/22/52/17/485225217.db2.gz WPOYRYYODULIGR-STQMWFEESA-N 0 3 362.434 -0.426 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCN(CC2CCOCC2)CC1 ZINC000659525706 485225483 /nfs/dbraw/zinc/22/54/83/485225483.db2.gz YXIYURQGWIIMES-KRWDZBQOSA-N 0 3 364.490 -0.136 20 0 FBADHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCN(CC2CCOCC2)CC1 ZINC000659525708 485225855 /nfs/dbraw/zinc/22/58/55/485225855.db2.gz YXIYURQGWIIMES-QGZVFWFLSA-N 0 3 364.490 -0.136 20 0 FBADHN COCCNCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659527526 483850340 /nfs/dbraw/zinc/85/03/40/483850340.db2.gz NTIMTOQSJHJJHB-UWVGGRQHSA-N 0 3 361.386 -0.161 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)NCCNCCOC)CC2)nn1 ZINC000659529199 485224925 /nfs/dbraw/zinc/22/49/25/485224925.db2.gz WUJKKCINOIPOEK-UHFFFAOYSA-N 0 3 352.439 -0.057 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](n4cccn4)C3)CC2)C1 ZINC000659531840 485225156 /nfs/dbraw/zinc/22/51/56/485225156.db2.gz HVZAGEKHYJHWFW-DLBZAZTESA-N 0 3 374.489 -0.105 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](n4cccn4)C3)CC2)C1 ZINC000659531841 485225461 /nfs/dbraw/zinc/22/54/61/485225461.db2.gz HVZAGEKHYJHWFW-IAGOWNOFSA-N 0 3 374.489 -0.105 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](n4cccn4)C3)CC2)C1 ZINC000659531842 485225946 /nfs/dbraw/zinc/22/59/46/485225946.db2.gz HVZAGEKHYJHWFW-IRXDYDNUSA-N 0 3 374.489 -0.105 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](n4cccn4)C3)CC2)C1 ZINC000659531843 485226183 /nfs/dbraw/zinc/22/61/83/485226183.db2.gz HVZAGEKHYJHWFW-SJORKVTESA-N 0 3 374.489 -0.105 20 0 FBADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659531935 485225449 /nfs/dbraw/zinc/22/54/49/485225449.db2.gz MKHVOQOXSBQRKX-CVEARBPZSA-N 0 3 352.479 -0.546 20 0 FBADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659531936 485226141 /nfs/dbraw/zinc/22/61/41/485226141.db2.gz MKHVOQOXSBQRKX-HOTGVXAUSA-N 0 3 352.479 -0.546 20 0 FBADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659531937 485225141 /nfs/dbraw/zinc/22/51/41/485225141.db2.gz MKHVOQOXSBQRKX-HZPDHXFCSA-N 0 3 352.479 -0.546 20 0 FBADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659531938 485225620 /nfs/dbraw/zinc/22/56/20/485225620.db2.gz MKHVOQOXSBQRKX-JKSUJKDBSA-N 0 3 352.479 -0.546 20 0 FBADHN CN(CC1(O)CCC1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659531982 483871840 /nfs/dbraw/zinc/87/18/40/483871840.db2.gz QFERXHXPEVNVFM-HNNXBMFYSA-N 0 3 352.479 -0.402 20 0 FBADHN CN(CC1(O)CCC1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659531983 483871684 /nfs/dbraw/zinc/87/16/84/483871684.db2.gz QFERXHXPEVNVFM-OAHLLOKOSA-N 0 3 352.479 -0.402 20 0 FBADHN Cc1cn2c(n1)CN(C(=O)C(=O)N1CCN([C@H]3CCCN(C)C3)CC1)CC2 ZINC000659532021 485225338 /nfs/dbraw/zinc/22/53/38/485225338.db2.gz SHFZGPCFVOPGIE-INIZCTEOSA-N 0 3 374.489 -0.228 20 0 FBADHN Cc1cn2c(n1)CN(C(=O)C(=O)N1CCN([C@@H]3CCCN(C)C3)CC1)CC2 ZINC000659532025 485225672 /nfs/dbraw/zinc/22/56/72/485225672.db2.gz SHFZGPCFVOPGIE-MRXNPFEDSA-N 0 3 374.489 -0.228 20 0 FBADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659532111 485225016 /nfs/dbraw/zinc/22/50/16/485225016.db2.gz UAWOSCWBOSBFGJ-IKGGRYGDSA-N 0 3 366.506 -0.156 20 0 FBADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659532114 485225122 /nfs/dbraw/zinc/22/51/22/485225122.db2.gz UAWOSCWBOSBFGJ-IXDOHACOSA-N 0 3 366.506 -0.156 20 0 FBADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659532117 485225634 /nfs/dbraw/zinc/22/56/34/485225634.db2.gz UAWOSCWBOSBFGJ-ULQDDVLXSA-N 0 3 366.506 -0.156 20 0 FBADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659532121 485225604 /nfs/dbraw/zinc/22/56/04/485225604.db2.gz UAWOSCWBOSBFGJ-YESZJQIVSA-N 0 3 366.506 -0.156 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCO[C@@H](C4CC4)C3)CC2)C1 ZINC000659532210 485225238 /nfs/dbraw/zinc/22/52/38/485225238.db2.gz YJHHFKSUSJWILU-DLBZAZTESA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCO[C@@H](C4CC4)C3)CC2)C1 ZINC000659532213 485226013 /nfs/dbraw/zinc/22/60/13/485226013.db2.gz YJHHFKSUSJWILU-IAGOWNOFSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCO[C@H](C4CC4)C3)CC2)C1 ZINC000659532216 485226059 /nfs/dbraw/zinc/22/60/59/485226059.db2.gz YJHHFKSUSJWILU-IRXDYDNUSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCO[C@H](C4CC4)C3)CC2)C1 ZINC000659532219 485225290 /nfs/dbraw/zinc/22/52/90/485225290.db2.gz YJHHFKSUSJWILU-SJORKVTESA-N 0 3 364.490 -0.138 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000659533887 485225834 /nfs/dbraw/zinc/22/58/34/485225834.db2.gz WMOLUQAHJPMCQU-UHFFFAOYSA-N 0 3 367.475 -0.077 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@H](C)N1C ZINC000659534676 485225265 /nfs/dbraw/zinc/22/52/65/485225265.db2.gz FDIWCZKCHCBELU-BBWFWOEESA-N 0 3 365.522 -0.224 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@H](C)N1C ZINC000659534680 485226165 /nfs/dbraw/zinc/22/61/65/485226165.db2.gz FDIWCZKCHCBELU-IXDOHACOSA-N 0 3 365.522 -0.224 20 0 FBADHN CN(CC(C)(C)CO)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659534742 485225089 /nfs/dbraw/zinc/22/50/89/485225089.db2.gz HTILBIRQGLFYRO-HNNXBMFYSA-N 0 3 354.495 -0.298 20 0 FBADHN CN(CC(C)(C)CO)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659534743 485224987 /nfs/dbraw/zinc/22/49/87/485224987.db2.gz HTILBIRQGLFYRO-OAHLLOKOSA-N 0 3 354.495 -0.298 20 0 FBADHN CN(CC1(O)CCCC1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659534914 485226203 /nfs/dbraw/zinc/22/62/03/485226203.db2.gz LDXXPBQIUPHUSZ-INIZCTEOSA-N 0 3 366.506 -0.012 20 0 FBADHN CN(CC1(O)CCCC1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659534916 485225715 /nfs/dbraw/zinc/22/57/15/485225715.db2.gz LDXXPBQIUPHUSZ-MRXNPFEDSA-N 0 3 366.506 -0.012 20 0 FBADHN CC(C)N1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 ZINC000659534955 485226540 /nfs/dbraw/zinc/22/65/40/485226540.db2.gz OEUQQEZDXFZGRV-KRWDZBQOSA-N 0 3 365.522 -0.223 20 0 FBADHN CC(C)N1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1 ZINC000659534957 485226933 /nfs/dbraw/zinc/22/69/33/485226933.db2.gz OEUQQEZDXFZGRV-QGZVFWFLSA-N 0 3 365.522 -0.223 20 0 FBADHN CN(CCn1cccn1)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659535185 485226653 /nfs/dbraw/zinc/22/66/53/485226653.db2.gz VGFZFTFXRZDNNP-INIZCTEOSA-N 0 3 362.478 -0.420 20 0 FBADHN CN(CCn1cccn1)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659535186 485227021 /nfs/dbraw/zinc/22/70/21/485227021.db2.gz VGFZFTFXRZDNNP-MRXNPFEDSA-N 0 3 362.478 -0.420 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@](C)(O)C3)CC2)C1 ZINC000659535295 485226783 /nfs/dbraw/zinc/22/67/83/485226783.db2.gz ZKGXICNLALOAOM-CRAIPNDOSA-N 0 3 352.479 -0.402 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@](C)(O)C3)CC2)C1 ZINC000659535299 485227193 /nfs/dbraw/zinc/22/71/93/485227193.db2.gz ZKGXICNLALOAOM-MAUKXSAKSA-N 0 3 352.479 -0.402 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@](C)(O)C3)CC2)C1 ZINC000659535300 485227141 /nfs/dbraw/zinc/22/71/41/485227141.db2.gz ZKGXICNLALOAOM-QAPCUYQASA-N 0 3 352.479 -0.402 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@](C)(O)C3)CC2)C1 ZINC000659535302 485226767 /nfs/dbraw/zinc/22/67/67/485226767.db2.gz ZKGXICNLALOAOM-YJBOKZPZSA-N 0 3 352.479 -0.402 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)nn1 ZINC000659551324 485226729 /nfs/dbraw/zinc/22/67/29/485226729.db2.gz ALYYDCLHZPNFFU-CYBMUJFWSA-N 0 3 350.423 -0.305 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)nn1 ZINC000659551325 485227459 /nfs/dbraw/zinc/22/74/59/485227459.db2.gz ALYYDCLHZPNFFU-ZDUSSCGKSA-N 0 3 350.423 -0.305 20 0 FBADHN CS(=O)(=O)[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)C[C@H]1C(F)(F)F ZINC000659551853 485226718 /nfs/dbraw/zinc/22/67/18/485226718.db2.gz CFEBOWXZTZRMTM-IVZWLZJFSA-N 0 3 359.370 -0.408 20 0 FBADHN CS(=O)(=O)[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)C[C@H]1C(F)(F)F ZINC000659551854 485226751 /nfs/dbraw/zinc/22/67/51/485226751.db2.gz CFEBOWXZTZRMTM-OPRDCNLKSA-N 0 3 359.370 -0.408 20 0 FBADHN O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659553186 485226851 /nfs/dbraw/zinc/22/68/51/485226851.db2.gz HODVBDJHSZSAHR-HRCADAONSA-N 0 3 372.425 -0.199 20 0 FBADHN O=C(NC[C@H]1CNCCO1)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659553187 485227126 /nfs/dbraw/zinc/22/71/26/485227126.db2.gz HODVBDJHSZSAHR-OAGGEKHMSA-N 0 3 372.425 -0.199 20 0 FBADHN C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000659561799 485227281 /nfs/dbraw/zinc/22/72/81/485227281.db2.gz SVQNYEUSGHHXQZ-SDDRHHMPSA-N 0 3 352.439 -0.062 20 0 FBADHN C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000659561800 485226686 /nfs/dbraw/zinc/22/66/86/485226686.db2.gz SVQNYEUSGHHXQZ-UTUOFQBUSA-N 0 3 352.439 -0.062 20 0 FBADHN CCCN1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000659608166 484155426 /nfs/dbraw/zinc/15/54/26/484155426.db2.gz ADGXDHMTOTUHJP-CYBMUJFWSA-N 0 3 359.496 -0.901 20 0 FBADHN CCCN1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000659608167 484156407 /nfs/dbraw/zinc/15/64/07/484156407.db2.gz ADGXDHMTOTUHJP-ZDUSSCGKSA-N 0 3 359.496 -0.901 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@@H](CN)C1 ZINC000659609002 485228030 /nfs/dbraw/zinc/22/80/30/485228030.db2.gz HUXJSBDHMKNZOU-ARFHVFGLSA-N 0 3 351.495 -0.086 20 0 FBADHN CN1CCN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@H](CN)C1 ZINC000659609004 485227982 /nfs/dbraw/zinc/22/79/82/485227982.db2.gz HUXJSBDHMKNZOU-BZUAXINKSA-N 0 3 351.495 -0.086 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCN2C[C@H]3CCCCN3C2=O)n1 ZINC000659610954 485228245 /nfs/dbraw/zinc/22/82/45/485228245.db2.gz OBSRYFLNNZBEQV-GFCCVEGCSA-N 0 3 363.422 -0.270 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)n1 ZINC000659610958 485228125 /nfs/dbraw/zinc/22/81/25/485228125.db2.gz OBSRYFLNNZBEQV-LBPRGKRZSA-N 0 3 363.422 -0.270 20 0 FBADHN COCCOCCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659628642 485229132 /nfs/dbraw/zinc/22/91/32/485229132.db2.gz IIFUBXSTAHLSTP-UHFFFAOYSA-N 0 3 368.438 -0.869 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC(=O)N(CCC(F)(F)F)C2)n1 ZINC000659628958 485229020 /nfs/dbraw/zinc/22/90/20/485229020.db2.gz APKNDGVMYHTALT-UHFFFAOYSA-N 0 3 362.312 -0.095 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)C1 ZINC000659628995 485229600 /nfs/dbraw/zinc/22/96/00/485229600.db2.gz BPXMUTZGYOOJSB-SNVBAGLBSA-N 0 3 372.451 -0.794 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N(CCN2CCOCC2)CC2CC2)n1 ZINC000659629159 485229525 /nfs/dbraw/zinc/22/95/25/485229525.db2.gz OLIHKDFNPFPQNG-UHFFFAOYSA-N 0 3 364.450 -0.105 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)n1 ZINC000659629272 485229309 /nfs/dbraw/zinc/22/93/09/485229309.db2.gz DPGDACWVQUIEDI-UHFFFAOYSA-N 0 3 362.312 -0.443 20 0 FBADHN CCN1CCN(CC(C)(C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659629379 485229230 /nfs/dbraw/zinc/22/92/30/485229230.db2.gz FYDLXJMYYOYKHJ-UHFFFAOYSA-N 0 3 365.482 -0.144 20 0 FBADHN COCC(C)(C)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659629434 485229874 /nfs/dbraw/zinc/22/98/74/485229874.db2.gz SLNQRBVUKNSNHY-UHFFFAOYSA-N 0 3 352.439 -0.107 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000659629568 485229273 /nfs/dbraw/zinc/22/92/73/485229273.db2.gz HALRTOCIMJDHKI-CYBMUJFWSA-N 0 3 364.450 -0.105 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000659629569 485229145 /nfs/dbraw/zinc/22/91/45/485229145.db2.gz HALRTOCIMJDHKI-ZDUSSCGKSA-N 0 3 364.450 -0.105 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H]2CN2CCOCC2)n1 ZINC000659629598 485228987 /nfs/dbraw/zinc/22/89/87/485228987.db2.gz HWKZPELJKVIBMT-ZDUSSCGKSA-N 0 3 350.423 -0.353 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629852 485228818 /nfs/dbraw/zinc/22/88/18/485228818.db2.gz AOJREVDLCROCCK-LLVKDONJSA-N 0 3 352.439 -0.373 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629853 485229897 /nfs/dbraw/zinc/22/98/97/485229897.db2.gz AOJREVDLCROCCK-NSHDSACASA-N 0 3 352.439 -0.373 20 0 FBADHN C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1CC(C)(C)O ZINC000659629897 485229641 /nfs/dbraw/zinc/22/96/41/485229641.db2.gz CCHMNCHRXIKPEJ-LLVKDONJSA-N 0 3 352.439 -0.373 20 0 FBADHN C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1CC(C)(C)O ZINC000659629898 485229169 /nfs/dbraw/zinc/22/91/69/485229169.db2.gz CCHMNCHRXIKPEJ-NSHDSACASA-N 0 3 352.439 -0.373 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H](C)O1 ZINC000659630001 485229244 /nfs/dbraw/zinc/22/92/44/485229244.db2.gz KMWFIBAEQBGJJF-TXEJJXNPSA-N 0 3 352.439 -0.109 20 0 FBADHN CC[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H](C)S1(=O)=O ZINC000659630265 485228759 /nfs/dbraw/zinc/22/87/59/485228759.db2.gz MZWDCLNNRMFYPM-GXSJLCMTSA-N 0 3 357.436 -0.252 20 0 FBADHN CC[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H](C)S1(=O)=O ZINC000659630266 485229697 /nfs/dbraw/zinc/22/96/97/485229697.db2.gz MZWDCLNNRMFYPM-KOLCDFICSA-N 0 3 357.436 -0.252 20 0 FBADHN CC[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H](C)S1(=O)=O ZINC000659630267 485229185 /nfs/dbraw/zinc/22/91/85/485229185.db2.gz MZWDCLNNRMFYPM-MWLCHTKSSA-N 0 3 357.436 -0.252 20 0 FBADHN CC[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H](C)S1(=O)=O ZINC000659630268 485229038 /nfs/dbraw/zinc/22/90/38/485229038.db2.gz MZWDCLNNRMFYPM-ONGXEEELSA-N 0 3 357.436 -0.252 20 0 FBADHN CN(CCN1CCOC(C)(C)C1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630540 485228790 /nfs/dbraw/zinc/22/87/90/485228790.db2.gz QJMBDUQXJZETQF-UHFFFAOYSA-N 0 3 352.439 -0.107 20 0 FBADHN CC(C)(C)NC(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659630625 485229506 /nfs/dbraw/zinc/22/95/06/485229506.db2.gz KTYMSPYDFXWZLG-UHFFFAOYSA-N 0 3 365.438 -0.024 20 0 FBADHN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630752 485229981 /nfs/dbraw/zinc/22/99/81/485229981.db2.gz UJQUOCIZOJGEGJ-AAEUAGOBSA-N 0 3 350.423 -0.355 20 0 FBADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630753 485228934 /nfs/dbraw/zinc/22/89/34/485228934.db2.gz UJQUOCIZOJGEGJ-DGCLKSJQSA-N 0 3 350.423 -0.355 20 0 FBADHN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630754 485229008 /nfs/dbraw/zinc/22/90/08/485229008.db2.gz UJQUOCIZOJGEGJ-WCQYABFASA-N 0 3 350.423 -0.355 20 0 FBADHN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630755 485229739 /nfs/dbraw/zinc/22/97/39/485229739.db2.gz UJQUOCIZOJGEGJ-YPMHNXCESA-N 0 3 350.423 -0.355 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659630774 485229718 /nfs/dbraw/zinc/22/97/18/485229718.db2.gz VDWWMCZWBGAOJH-UHFFFAOYSA-N 0 3 358.406 -0.229 20 0 FBADHN COc1cc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)ncn1 ZINC000659630830 485229665 /nfs/dbraw/zinc/22/96/65/485229665.db2.gz MVZPMSGJRQDECW-UHFFFAOYSA-N 0 3 374.405 -0.529 20 0 FBADHN Cc1nccc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)n1 ZINC000659630836 485229801 /nfs/dbraw/zinc/22/98/01/485229801.db2.gz NBXDCCIBJRHOIC-UHFFFAOYSA-N 0 3 358.406 -0.229 20 0 FBADHN COCCNC(=O)[C@H](CC(C)C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659631079 485228878 /nfs/dbraw/zinc/22/88/78/485228878.db2.gz QFJWYKVZTOCOTB-LBPRGKRZSA-N 0 3 368.438 -0.383 20 0 FBADHN COCCN1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000659631286 485229678 /nfs/dbraw/zinc/22/96/78/485229678.db2.gz UDMZQEUKDKXKDZ-UHFFFAOYSA-N 0 3 352.395 -0.969 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000659631834 485229471 /nfs/dbraw/zinc/22/94/71/485229471.db2.gz HWKZPELJKVIBMT-CYBMUJFWSA-N 0 3 350.423 -0.353 20 0 FBADHN CC(C)OCCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631993 485229105 /nfs/dbraw/zinc/22/91/05/485229105.db2.gz NAYDJECFWKIASE-UHFFFAOYSA-N 0 3 352.439 -0.107 20 0 FBADHN CCN(CC)C(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632197 485230621 /nfs/dbraw/zinc/23/06/21/485230621.db2.gz RJXUIFGUDJDRTP-UHFFFAOYSA-N 0 3 365.438 -0.070 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC(CN3CCOCC3)CC2)n1 ZINC000659632921 485230824 /nfs/dbraw/zinc/23/08/24/485230824.db2.gz LBIIQWPSZSGIFT-UHFFFAOYSA-N 0 3 364.450 -0.105 20 0 FBADHN COc1ccnc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)n1 ZINC000659632931 485230858 /nfs/dbraw/zinc/23/08/58/485230858.db2.gz LRERKGZEKQQKOZ-UHFFFAOYSA-N 0 3 374.405 -0.529 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C(=O)N3CCCC3)CC2)n1 ZINC000659632972 485230468 /nfs/dbraw/zinc/23/04/68/485230468.db2.gz NHNKFKOFRFAVEN-UHFFFAOYSA-N 0 3 363.422 -0.316 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000659632979 485230287 /nfs/dbraw/zinc/23/02/87/485230287.db2.gz NNNIKPKSTZFTNQ-CYBMUJFWSA-N 0 3 350.423 -0.353 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000659632980 485230268 /nfs/dbraw/zinc/23/02/68/485230268.db2.gz NNNIKPKSTZFTNQ-ZDUSSCGKSA-N 0 3 350.423 -0.353 20 0 FBADHN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659633208 485230321 /nfs/dbraw/zinc/23/03/21/485230321.db2.gz QYRFUTPHYRQCEF-LLVKDONJSA-N 0 3 372.451 -0.746 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659633210 485230961 /nfs/dbraw/zinc/23/09/61/485230961.db2.gz QYRFUTPHYRQCEF-NSHDSACASA-N 0 3 372.451 -0.746 20 0 FBADHN Cc1cc(CN2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)on1 ZINC000659633484 485230373 /nfs/dbraw/zinc/23/03/73/485230373.db2.gz VIKUUMMNEVSZSE-UHFFFAOYSA-N 0 3 361.406 -0.035 20 0 FBADHN Cc1cc(CN2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)no1 ZINC000659633549 485230303 /nfs/dbraw/zinc/23/03/03/485230303.db2.gz WGOQWTDTXGSYFO-UHFFFAOYSA-N 0 3 361.406 -0.035 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)[C@H](CN)C1 ZINC000659672413 485239178 /nfs/dbraw/zinc/23/91/78/485239178.db2.gz VOLHKTHGIYWRFC-HIFRSBDPSA-N 0 3 367.494 -0.759 20 0 FBADHN COc1ccccc1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659673372 485238825 /nfs/dbraw/zinc/23/88/25/485238825.db2.gz BWBSEFZYRUJABJ-UHFFFAOYSA-N 0 3 359.386 -0.375 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000659673475 485239064 /nfs/dbraw/zinc/23/90/64/485239064.db2.gz JVUCTHCMLKVDEJ-GNZRSQJKSA-N 0 3 372.469 -0.047 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000659673477 485238841 /nfs/dbraw/zinc/23/88/41/485238841.db2.gz JVUCTHCMLKVDEJ-OHTSDLOESA-N 0 3 372.469 -0.047 20 0 FBADHN CN(CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659674114 485238929 /nfs/dbraw/zinc/23/89/29/485238929.db2.gz KRGNDCTZLKMDNK-UHFFFAOYSA-N 0 3 372.429 -0.100 20 0 FBADHN CCN(CCCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)S(C)(=O)=O ZINC000659675738 485238874 /nfs/dbraw/zinc/23/88/74/485238874.db2.gz SSVQQGUCSSFVDN-OLZOCXBDSA-N 0 3 362.496 -0.640 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000659676970 485240428 /nfs/dbraw/zinc/24/04/28/485240428.db2.gz ISCMLDAFXQUILI-BTUGKURYSA-N 0 3 371.441 -0.362 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000659676971 485239757 /nfs/dbraw/zinc/23/97/57/485239757.db2.gz ISCMLDAFXQUILI-SHBDPFAUSA-N 0 3 371.441 -0.362 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000659677053 485240101 /nfs/dbraw/zinc/24/01/01/485240101.db2.gz MELLSCOBZJAYEU-UHFFFAOYSA-N 0 3 359.430 -0.516 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCc3ccccc3C2)n1 ZINC000659677275 485240487 /nfs/dbraw/zinc/24/04/87/485240487.db2.gz NGDLCWVPGJFHSK-CYBMUJFWSA-N 0 3 355.398 -0.069 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCc3ccccc3C2)n1 ZINC000659677276 485240240 /nfs/dbraw/zinc/24/02/40/485240240.db2.gz NGDLCWVPGJFHSK-ZDUSSCGKSA-N 0 3 355.398 -0.069 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000659677489 485239966 /nfs/dbraw/zinc/23/99/66/485239966.db2.gz PBAJITUMSGSVJG-FHBSJOOWSA-N 0 3 357.414 -0.357 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000659677491 485240284 /nfs/dbraw/zinc/24/02/84/485240284.db2.gz PBAJITUMSGSVJG-HZEYSBKDSA-N 0 3 357.414 -0.357 20 0 FBADHN CN(CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccccc1 ZINC000659677558 485240072 /nfs/dbraw/zinc/24/00/72/485240072.db2.gz DXVIJNTWCGWBDI-UHFFFAOYSA-N 0 3 372.429 -0.495 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2cc(F)ccc2F)n1 ZINC000659677641 485240193 /nfs/dbraw/zinc/24/01/93/485240193.db2.gz GLRLZUZKWKIUQS-UHFFFAOYSA-N 0 3 365.340 -0.106 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000659677913 485240368 /nfs/dbraw/zinc/24/03/68/485240368.db2.gz IRLRCWMQISNHPZ-OPASDULOSA-N 0 3 362.352 -0.394 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000659677915 485240255 /nfs/dbraw/zinc/24/02/55/485240255.db2.gz IRLRCWMQISNHPZ-XIRUVYRFSA-N 0 3 362.352 -0.394 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@H](CN)C1 ZINC000659678872 485239821 /nfs/dbraw/zinc/23/98/21/485239821.db2.gz PJIQNQAHADZVOF-OCCSQVGLSA-N 0 3 362.430 -0.247 20 0 FBADHN COCC1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCC1 ZINC000659679232 485239890 /nfs/dbraw/zinc/23/98/90/485239890.db2.gz FNSNCTKBNXSSKA-UHFFFAOYSA-N 0 3 351.407 -0.420 20 0 FBADHN CO[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659679301 485239693 /nfs/dbraw/zinc/23/96/93/485239693.db2.gz UKOYUNZKYPWTQW-CYBMUJFWSA-N 0 3 359.386 -0.239 20 0 FBADHN CO[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659679303 485239742 /nfs/dbraw/zinc/23/97/42/485239742.db2.gz UKOYUNZKYPWTQW-ZDUSSCGKSA-N 0 3 359.386 -0.239 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCOCC2CCCC2)n1 ZINC000659679540 485239878 /nfs/dbraw/zinc/23/98/78/485239878.db2.gz LADPFWQXDYIVEI-UHFFFAOYSA-N 0 3 351.407 -0.420 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCOc2ccccc2)n1 ZINC000659680109 485240301 /nfs/dbraw/zinc/24/03/01/485240301.db2.gz AAKGMCYVXBENDL-UHFFFAOYSA-N 0 3 359.386 -0.158 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000659680185 485239664 /nfs/dbraw/zinc/23/96/64/485239664.db2.gz BDVMBDUPYVPEIN-BLDCVEFLSA-N 0 3 368.503 -0.740 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000659680187 485240441 /nfs/dbraw/zinc/24/04/41/485240441.db2.gz BDVMBDUPYVPEIN-PWZRNIHTSA-N 0 3 368.503 -0.740 20 0 FBADHN CN(C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)ccn1 ZINC000659680365 485240450 /nfs/dbraw/zinc/24/04/50/485240450.db2.gz WQYADCSCBKOJDI-ZIAGYGMSSA-N 0 3 367.425 -0.464 20 0 FBADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680586 485240392 /nfs/dbraw/zinc/24/03/92/485240392.db2.gz ZFSOOEHCNIWCHJ-VXGBXAGGSA-N 0 3 351.407 -0.279 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCN2Cc3ccccc3C2)n1 ZINC000659680715 485240407 /nfs/dbraw/zinc/24/04/07/485240407.db2.gz JTAMCZWHSUDOQQ-UHFFFAOYSA-N 0 3 370.413 -0.611 20 0 FBADHN COc1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1C ZINC000659680899 485240048 /nfs/dbraw/zinc/24/00/48/485240048.db2.gz MKIKDJDNWWAYLG-UHFFFAOYSA-N 0 3 359.386 -0.109 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccc3c(c2)OCO3)n1 ZINC000659681275 485239775 /nfs/dbraw/zinc/23/97/75/485239775.db2.gz DXKAZXUORTWRKT-UHFFFAOYSA-N 0 3 373.369 -0.655 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccc(F)cc2F)n1 ZINC000659681328 485241556 /nfs/dbraw/zinc/24/15/56/485241556.db2.gz ZWBAPMIAEYMROV-UHFFFAOYSA-N 0 3 365.340 -0.106 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC2CC1(CN)C2)c1cccc(S(N)(=O)=O)c1 ZINC000659681564 485241037 /nfs/dbraw/zinc/24/10/37/485241037.db2.gz KBMUQPCCVDMUGG-SGWRBKMISA-N 0 3 366.443 -0.539 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)c1cccc(S(N)(=O)=O)c1 ZINC000659681565 485241517 /nfs/dbraw/zinc/24/15/17/485241517.db2.gz KBMUQPCCVDMUGG-VHTNMKBUSA-N 0 3 366.443 -0.539 20 0 FBADHN COc1ccc(C)cc1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659681730 485241095 /nfs/dbraw/zinc/24/10/95/485241095.db2.gz NDIWLBWMPRETQG-UHFFFAOYSA-N 0 3 373.413 -0.067 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000659681796 485241507 /nfs/dbraw/zinc/24/15/07/485241507.db2.gz ABKZYORWSLLSMH-DGSCNEQVSA-N 0 3 350.463 -0.304 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000659681797 485241224 /nfs/dbraw/zinc/24/12/24/485241224.db2.gz ABKZYORWSLLSMH-DIODGJHASA-N 0 3 350.463 -0.304 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000659681798 485241081 /nfs/dbraw/zinc/24/10/81/485241081.db2.gz ABKZYORWSLLSMH-NWPKHEMWSA-N 0 3 350.463 -0.304 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000659681799 485241873 /nfs/dbraw/zinc/24/18/73/485241873.db2.gz ABKZYORWSLLSMH-QRHJNKNDSA-N 0 3 350.463 -0.304 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)[C@H](CN)C1 ZINC000659682068 485241582 /nfs/dbraw/zinc/24/15/82/485241582.db2.gz GIZNRWUQCBWYJD-OUAUKWLOSA-N 0 3 364.368 -0.148 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)[C@H](CN)C1 ZINC000659682069 485241771 /nfs/dbraw/zinc/24/17/71/485241771.db2.gz GIZNRWUQCBWYJD-VWYCJHECSA-N 0 3 364.368 -0.148 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000659682865 485241801 /nfs/dbraw/zinc/24/18/01/485241801.db2.gz IBWVJPJGMGLXOO-UHFFFAOYSA-N 0 3 359.430 -0.516 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000659683013 485241019 /nfs/dbraw/zinc/24/10/19/485241019.db2.gz RFLAGRZYJRRKRF-HLZQHVJHSA-N 0 3 360.389 -0.003 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000659683014 485241692 /nfs/dbraw/zinc/24/16/92/485241692.db2.gz RFLAGRZYJRRKRF-NOBQPIJMSA-N 0 3 360.389 -0.003 20 0 FBADHN CN(CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659683077 485241120 /nfs/dbraw/zinc/24/11/20/485241120.db2.gz LYNHFXWYIBWPHF-UHFFFAOYSA-N 0 3 358.402 -0.490 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@@H](C)O1 ZINC000659683139 485240825 /nfs/dbraw/zinc/24/08/25/485240825.db2.gz OHVLUSDHBPMRAF-AAVRWANBSA-N 0 3 358.458 -0.112 20 0 FBADHN C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@H](C)O1 ZINC000659683140 485241650 /nfs/dbraw/zinc/24/16/50/485241650.db2.gz OHVLUSDHBPMRAF-IGQOVBAYSA-N 0 3 358.458 -0.112 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@H](C)O1 ZINC000659683141 485241014 /nfs/dbraw/zinc/24/10/14/485241014.db2.gz OHVLUSDHBPMRAF-XJFOESAGSA-N 0 3 358.458 -0.112 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC3CC2(CN)C3)C[C@H](C)O1 ZINC000659683329 485241890 /nfs/dbraw/zinc/24/18/90/485241890.db2.gz RCKBTTRGEAWGIF-PHDAOHEYSA-N 0 3 352.479 -0.060 20 0 FBADHN C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC3CC2(CN)C3)C[C@H](C)O1 ZINC000659683330 485241056 /nfs/dbraw/zinc/24/10/56/485241056.db2.gz RCKBTTRGEAWGIF-RKSAHCFOSA-N 0 3 352.479 -0.060 20 0 FBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC3CC2(CN)C3)C[C@@H](C)O1 ZINC000659683331 485241264 /nfs/dbraw/zinc/24/12/64/485241264.db2.gz RCKBTTRGEAWGIF-ZBUWUSMVSA-N 0 3 352.479 -0.060 20 0 FBADHN CS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659683673 485243099 /nfs/dbraw/zinc/24/30/99/485243099.db2.gz ABIUPAXHYLXMHG-UHFFFAOYSA-N 0 3 351.428 -0.344 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000659683792 485242403 /nfs/dbraw/zinc/24/24/03/485242403.db2.gz BVXBSXLDQBIADA-NDBLMLTRSA-N 0 3 360.389 -0.003 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000659683794 485242817 /nfs/dbraw/zinc/24/28/17/485242817.db2.gz BVXBSXLDQBIADA-QNNTWYEPSA-N 0 3 360.389 -0.003 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659683829 485242713 /nfs/dbraw/zinc/24/27/13/485242713.db2.gz CEKLTPGKHVJEAJ-HUUCEWRRSA-N 0 3 358.458 -0.110 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)N1CCN(C)CC1 ZINC000659683895 485243049 /nfs/dbraw/zinc/24/30/49/485243049.db2.gz BGQQYEMBXGCCOY-IKGGRYGDSA-N 0 3 367.538 -0.040 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)N1CCN(C)CC1 ZINC000659683896 485242328 /nfs/dbraw/zinc/24/23/28/485242328.db2.gz BGQQYEMBXGCCOY-IXDOHACOSA-N 0 3 367.538 -0.040 20 0 FBADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC3CC2(CN)C3)C1=O ZINC000659684140 485242762 /nfs/dbraw/zinc/24/27/62/485242762.db2.gz GZGCKNGQDNVBOP-FWHMADFJSA-N 0 3 372.425 -0.134 20 0 FBADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC3CC2(CN)C3)C1=O ZINC000659684145 485242965 /nfs/dbraw/zinc/24/29/65/485242965.db2.gz GZGCKNGQDNVBOP-MLZJXEJWSA-N 0 3 372.425 -0.134 20 0 FBADHN CC(C)Oc1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccn1 ZINC000659684936 485242588 /nfs/dbraw/zinc/24/25/88/485242588.db2.gz JQIRGQRTEBGVSW-UHFFFAOYSA-N 0 3 374.401 -0.244 20 0 FBADHN CCCOc1ncccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659685187 485243089 /nfs/dbraw/zinc/24/30/89/485243089.db2.gz OIAGMVMEXFJJTN-UHFFFAOYSA-N 0 3 374.401 -0.243 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000659686305 485242740 /nfs/dbraw/zinc/24/27/40/485242740.db2.gz YQMSCGNXBWBMET-BTUGKURYSA-N 0 3 374.416 -0.008 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000659686306 485242884 /nfs/dbraw/zinc/24/28/84/485242884.db2.gz YQMSCGNXBWBMET-SHBDPFAUSA-N 0 3 374.416 -0.008 20 0 FBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N3CC4CC3(CN)C4)cn2)CC1 ZINC000659686437 485242469 /nfs/dbraw/zinc/24/24/69/485242469.db2.gz YGLSATXLLJOBSL-UHFFFAOYSA-N 0 3 372.473 -0.601 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)N1CCN(C)CC1 ZINC000659686487 485243021 /nfs/dbraw/zinc/24/30/21/485243021.db2.gz ZMNBXRXPEPMSBQ-KFWWJZLASA-N 0 3 357.474 -0.728 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)N1CCN(C)CC1 ZINC000659686491 485242956 /nfs/dbraw/zinc/24/29/56/485242956.db2.gz ZMNBXRXPEPMSBQ-RBSFLKMASA-N 0 3 357.474 -0.728 20 0 FBADHN COc1cc(F)cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659686611 485242639 /nfs/dbraw/zinc/24/26/39/485242639.db2.gz HXDZCJRWJGMQIQ-UHFFFAOYSA-N 0 3 363.349 -0.279 20 0 FBADHN COc1cc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1C ZINC000659686616 485242302 /nfs/dbraw/zinc/24/23/02/485242302.db2.gz IFOQXWUZASDQLS-UHFFFAOYSA-N 0 3 373.413 -0.067 20 0 FBADHN CCOc1ccccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659687590 485242389 /nfs/dbraw/zinc/24/23/89/485242389.db2.gz GKOXPJPIIGWRGP-UHFFFAOYSA-N 0 3 359.386 -0.028 20 0 FBADHN CN(C)c1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659687607 485242804 /nfs/dbraw/zinc/24/28/04/485242804.db2.gz HDXCISMROODEMA-UHFFFAOYSA-N 0 3 358.402 -0.361 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000659687842 485242993 /nfs/dbraw/zinc/24/29/93/485242993.db2.gz PFLJBCDUEFDVNL-UHFFFAOYSA-N 0 3 366.443 -0.969 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000659687889 485242932 /nfs/dbraw/zinc/24/29/32/485242932.db2.gz LEZXBFMFSIDSPK-UHFFFAOYSA-N 0 3 365.455 -0.084 20 0 FBADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)cc1 ZINC000659688299 485243993 /nfs/dbraw/zinc/24/39/93/485243993.db2.gz UMLLNUIBHQCBHC-UHFFFAOYSA-N 0 3 351.428 -0.344 20 0 FBADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CC3CC2(CN)C3)cc1F ZINC000659688373 485244420 /nfs/dbraw/zinc/24/44/20/485244420.db2.gz YLXFLEGXONQRRL-UHFFFAOYSA-N 0 3 362.405 -0.070 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000659688496 485244329 /nfs/dbraw/zinc/24/43/29/485244329.db2.gz YWARVKIICMWDDB-UHFFFAOYSA-N 0 3 372.351 -0.027 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccc(F)c(F)c2)n1 ZINC000659689128 485244444 /nfs/dbraw/zinc/24/44/44/485244444.db2.gz TWBFRGGPMNLAOH-UHFFFAOYSA-N 0 3 365.340 -0.106 20 0 FBADHN COc1ccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(C)c1 ZINC000659689248 485244205 /nfs/dbraw/zinc/24/42/05/485244205.db2.gz XXWFPFBZCRXBHH-UHFFFAOYSA-N 0 3 359.386 -0.109 20 0 FBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659689268 485244165 /nfs/dbraw/zinc/24/41/65/485244165.db2.gz YLBLRQXMJFOFPV-UHFFFAOYSA-N 0 3 372.473 -0.601 20 0 FBADHN CN1CCN(c2cc(CNC(=O)C(=O)N3CC4CC3(CN)C4)ccn2)CC1 ZINC000659689431 485244382 /nfs/dbraw/zinc/24/43/82/485244382.db2.gz AMPMGOHOMCFMRM-UHFFFAOYSA-N 0 3 372.473 -0.601 20 0 FBADHN COc1cccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659689708 485243725 /nfs/dbraw/zinc/24/37/25/485243725.db2.gz IFHOXMBXBKLSEZ-UHFFFAOYSA-N 0 3 359.386 -0.375 20 0 FBADHN CCO[C@H](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000659689937 485244232 /nfs/dbraw/zinc/24/42/32/485244232.db2.gz JMTUMFCBHRNQFB-GFCCVEGCSA-N 0 3 353.423 -0.176 20 0 FBADHN CCO[C@@H](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000659689938 485243555 /nfs/dbraw/zinc/24/35/55/485243555.db2.gz JMTUMFCBHRNQFB-LBPRGKRZSA-N 0 3 353.423 -0.176 20 0 FBADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659690110 485244143 /nfs/dbraw/zinc/24/41/43/485244143.db2.gz OEQBMUHUCYASFS-UHFFFAOYSA-N 0 3 360.414 -0.163 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000659690397 485244539 /nfs/dbraw/zinc/24/45/39/485244539.db2.gz SYKLOWXODCTZPQ-UHFFFAOYSA-N 0 3 359.430 -0.516 20 0 FBADHN COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659690614 485244355 /nfs/dbraw/zinc/24/43/55/485244355.db2.gz PBNFCOVETKYFDW-HIFRSBDPSA-N 0 3 368.478 -0.284 20 0 FBADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659690733 485244299 /nfs/dbraw/zinc/24/42/99/485244299.db2.gz UZDHPHRYSFVNGI-UHFFFAOYSA-N 0 3 374.441 -0.281 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCOC2CCCC2)n1 ZINC000659691061 485244178 /nfs/dbraw/zinc/24/41/78/485244178.db2.gz GOIJNMHSRQPKRK-UHFFFAOYSA-N 0 3 351.407 -0.277 20 0 FBADHN CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659691287 485243939 /nfs/dbraw/zinc/24/39/39/485243939.db2.gz MQXNUIAJSZSAIG-UHFFFAOYSA-N 0 3 365.455 -0.203 20 0 FBADHN COc1nc(C)cc(C)c1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659691461 485243702 /nfs/dbraw/zinc/24/37/02/485243702.db2.gz JEBXQAPPKMUJRP-UHFFFAOYSA-N 0 3 374.401 -0.406 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000659691480 485244515 /nfs/dbraw/zinc/24/45/15/485244515.db2.gz JINYGMPIZPEVBI-HVEKOLDVSA-N 0 3 356.426 -0.147 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000659691485 485244338 /nfs/dbraw/zinc/24/43/38/485244338.db2.gz JINYGMPIZPEVBI-XAUUPUKJSA-N 0 3 356.426 -0.147 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659691614 485243787 /nfs/dbraw/zinc/24/37/87/485243787.db2.gz LMKFPBYNMGACDU-CYBMUJFWSA-N 0 3 359.386 -0.239 20 0 FBADHN COC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659691615 485244279 /nfs/dbraw/zinc/24/42/79/485244279.db2.gz LMKFPBYNMGACDU-ZDUSSCGKSA-N 0 3 359.386 -0.239 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000659692141 485244473 /nfs/dbraw/zinc/24/44/73/485244473.db2.gz QFKUNTZSUVGQHX-UHFFFAOYSA-N 0 3 359.430 -0.516 20 0 FBADHN CCOc1ccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659692144 485244317 /nfs/dbraw/zinc/24/43/17/485244317.db2.gz QMKHVURSUGTKHX-UHFFFAOYSA-N 0 3 359.386 -0.028 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](CN)C1 ZINC000659692385 485244088 /nfs/dbraw/zinc/24/40/88/485244088.db2.gz BQQVOIWPLXDARK-DYEKYZERSA-N 0 3 362.434 -0.773 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](CN)C1 ZINC000659692387 485244040 /nfs/dbraw/zinc/24/40/40/485244040.db2.gz BQQVOIWPLXDARK-MBNYWOFBSA-N 0 3 362.434 -0.773 20 0 FBADHN CCOc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659692575 485244408 /nfs/dbraw/zinc/24/44/08/485244408.db2.gz SURNKIFVSVECNX-UHFFFAOYSA-N 0 3 359.386 -0.028 20 0 FBADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CC4CC3(CN)C4)cn2)CCO1 ZINC000659692581 485244135 /nfs/dbraw/zinc/24/41/35/485244135.db2.gz SYBMEKQIJNZPHC-VZDIAYEVSA-N 0 3 373.457 -0.127 20 0 FBADHN C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CC4CC3(CN)C4)cn2)CCO1 ZINC000659692582 485243979 /nfs/dbraw/zinc/24/39/79/485243979.db2.gz SYBMEKQIJNZPHC-XIWWETDGSA-N 0 3 373.457 -0.127 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2cc(F)cc(F)c2)n1 ZINC000659692694 485243818 /nfs/dbraw/zinc/24/38/18/485243818.db2.gz VJRUFKZLSPRLDU-UHFFFAOYSA-N 0 3 365.340 -0.106 20 0 FBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)CC2 ZINC000659695392 485245618 /nfs/dbraw/zinc/24/56/18/485245618.db2.gz VQVOGAVEUJUWBL-AGIUHOORSA-N 0 3 364.450 -0.559 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)CC2 ZINC000659695393 485245165 /nfs/dbraw/zinc/24/51/65/485245165.db2.gz VQVOGAVEUJUWBL-UPJWGTAASA-N 0 3 364.450 -0.559 20 0 FBADHN CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659696396 485245766 /nfs/dbraw/zinc/24/57/66/485245766.db2.gz LLOBIGOGRFGAIS-NEPJUHHUSA-N 0 3 365.434 -0.035 20 0 FBADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659696400 485245453 /nfs/dbraw/zinc/24/54/53/485245453.db2.gz LLOBIGOGRFGAIS-NWDGAFQWSA-N 0 3 365.434 -0.035 20 0 FBADHN CC(C)O[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659696404 485245734 /nfs/dbraw/zinc/24/57/34/485245734.db2.gz LLOBIGOGRFGAIS-RYUDHWBXSA-N 0 3 365.434 -0.035 20 0 FBADHN CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659696408 485245749 /nfs/dbraw/zinc/24/57/49/485245749.db2.gz LLOBIGOGRFGAIS-VXGBXAGGSA-N 0 3 365.434 -0.035 20 0 FBADHN CCC1(CC)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1OC ZINC000659696753 485245852 /nfs/dbraw/zinc/24/58/52/485245852.db2.gz MVBWOLSUHADTLX-NEPJUHHUSA-N 0 3 365.434 -0.033 20 0 FBADHN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659696754 485245909 /nfs/dbraw/zinc/24/59/09/485245909.db2.gz MVBWOLSUHADTLX-NWDGAFQWSA-N 0 3 365.434 -0.033 20 0 FBADHN CCC1(CC)[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1OC ZINC000659696755 485245286 /nfs/dbraw/zinc/24/52/86/485245286.db2.gz MVBWOLSUHADTLX-RYUDHWBXSA-N 0 3 365.434 -0.033 20 0 FBADHN CCC1(CC)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1OC ZINC000659696756 485245357 /nfs/dbraw/zinc/24/53/57/485245357.db2.gz MVBWOLSUHADTLX-VXGBXAGGSA-N 0 3 365.434 -0.033 20 0 FBADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)s1 ZINC000659696898 485245498 /nfs/dbraw/zinc/24/54/98/485245498.db2.gz ORRFKIYRGBLDPE-UHFFFAOYSA-N 0 3 357.457 -0.283 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CCOc3ccccc32)n1 ZINC000659697123 485245691 /nfs/dbraw/zinc/24/56/91/485245691.db2.gz SWBPDRMQAHGZPA-LLVKDONJSA-N 0 3 371.397 -0.060 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CCOc3ccccc32)n1 ZINC000659697126 485245508 /nfs/dbraw/zinc/24/55/08/485245508.db2.gz SWBPDRMQAHGZPA-NSHDSACASA-N 0 3 371.397 -0.060 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659697363 485245199 /nfs/dbraw/zinc/24/51/99/485245199.db2.gz CETCYRUKTLHHGG-HUUCEWRRSA-N 0 3 357.474 -0.582 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000659697568 485244921 /nfs/dbraw/zinc/24/49/21/485244921.db2.gz YFDLKKQMNVYLQG-UHFFFAOYSA-N 0 3 362.405 -0.450 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N(C)c1ccccc1 ZINC000659698382 485245052 /nfs/dbraw/zinc/24/50/52/485245052.db2.gz MTVFRSSQFISMFN-GFCCVEGCSA-N 0 3 372.429 -0.102 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N(C)c1ccccc1 ZINC000659698383 485245811 /nfs/dbraw/zinc/24/58/11/485245811.db2.gz MTVFRSSQFISMFN-LBPRGKRZSA-N 0 3 372.429 -0.102 20 0 FBADHN CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659698564 485245303 /nfs/dbraw/zinc/24/53/03/485245303.db2.gz UOUCDUDNPQILIF-UHFFFAOYSA-N 0 3 359.430 -0.852 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000659698672 485245998 /nfs/dbraw/zinc/24/59/98/485245998.db2.gz HVJNDDWOULYENA-UHFFFAOYSA-N 0 3 371.485 -0.126 20 0 FBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659698879 485244907 /nfs/dbraw/zinc/24/49/07/485244907.db2.gz RSMYTJDHOSYASN-UHFFFAOYSA-N 0 3 366.443 -0.839 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)[C@H](CN)C1 ZINC000659699131 485246964 /nfs/dbraw/zinc/24/69/64/485246964.db2.gz QHWRPAMZILNPFF-UPJWGTAASA-N 0 3 360.480 -0.888 20 0 FBADHN CC(C)Oc1ccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cn1 ZINC000659699314 485246607 /nfs/dbraw/zinc/24/66/07/485246607.db2.gz NFFJTOMONMJGGY-UHFFFAOYSA-N 0 3 374.401 -0.244 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2c(F)cccc2F)n1 ZINC000659699358 485246379 /nfs/dbraw/zinc/24/63/79/485246379.db2.gz RPLJKRGENLKNIM-UHFFFAOYSA-N 0 3 365.340 -0.106 20 0 FBADHN C[C@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659699634 485246764 /nfs/dbraw/zinc/24/67/64/485246764.db2.gz QXXWNHSVXCQVLI-AAEUAGOBSA-N 0 3 365.434 -0.031 20 0 FBADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659699635 485247163 /nfs/dbraw/zinc/24/71/63/485247163.db2.gz QXXWNHSVXCQVLI-DGCLKSJQSA-N 0 3 365.434 -0.031 20 0 FBADHN C[C@H]1CCCC[C@H]1OCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659699636 485247159 /nfs/dbraw/zinc/24/71/59/485247159.db2.gz QXXWNHSVXCQVLI-WCQYABFASA-N 0 3 365.434 -0.031 20 0 FBADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659699637 485246977 /nfs/dbraw/zinc/24/69/77/485246977.db2.gz QXXWNHSVXCQVLI-YPMHNXCESA-N 0 3 365.434 -0.031 20 0 FBADHN CC(C)Oc1ncccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659699861 485247111 /nfs/dbraw/zinc/24/71/11/485247111.db2.gz WGIZEBCGOSTWQD-UHFFFAOYSA-N 0 3 374.401 -0.244 20 0 FBADHN CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CC3CC2(CN)C3)c1 ZINC000659700092 485246940 /nfs/dbraw/zinc/24/69/40/485246940.db2.gz AKLQMRUZWAJUCK-UHFFFAOYSA-N 0 3 358.442 -0.003 20 0 FBADHN COc1cc(C)cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659700433 485247051 /nfs/dbraw/zinc/24/70/51/485247051.db2.gz KLQITUXSXUIMFU-UHFFFAOYSA-N 0 3 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FBADHN COc1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659707467 485248267 /nfs/dbraw/zinc/24/82/67/485248267.db2.gz VVQCSSQTXBQYDW-UHFFFAOYSA-N 0 3 359.386 -0.375 20 0 FBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC4CC3(CN)C4)C2)n(C)n1 ZINC000659707490 485247426 /nfs/dbraw/zinc/24/74/26/485247426.db2.gz DZRPNIBLPGIQRK-FVRSWCFKSA-N 0 3 360.462 -0.237 20 0 FBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC4CC3(CN)C4)C2)n(C)n1 ZINC000659707505 485247887 /nfs/dbraw/zinc/24/78/87/485247887.db2.gz DZRPNIBLPGIQRK-TXKKKEFDSA-N 0 3 360.462 -0.237 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)n1 ZINC000659707838 485248168 /nfs/dbraw/zinc/24/81/68/485248168.db2.gz ZPLVXVWCKHZAOP-CYBMUJFWSA-N 0 3 362.434 -0.610 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)n1 ZINC000659707839 485247778 /nfs/dbraw/zinc/24/77/78/485247778.db2.gz ZPLVXVWCKHZAOP-ZDUSSCGKSA-N 0 3 362.434 -0.610 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000659707919 485248312 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485251670 /nfs/dbraw/zinc/25/16/70/485251670.db2.gz ZMJCGNAIQVVHFT-CQSZACIVSA-N 0 3 365.478 -0.942 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)CC2)nn1 ZINC000659716409 485251290 /nfs/dbraw/zinc/25/12/90/485251290.db2.gz ABIQNAZMKFVLNE-CYBMUJFWSA-N 0 3 362.434 -0.623 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC2)nn1 ZINC000659716410 485250965 /nfs/dbraw/zinc/25/09/65/485250965.db2.gz ABIQNAZMKFVLNE-ZDUSSCGKSA-N 0 3 362.434 -0.623 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000659716629 485251584 /nfs/dbraw/zinc/25/15/84/485251584.db2.gz BAMRCIZPULNRPX-AVGNSLFASA-N 0 3 368.478 -0.021 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000659716631 485251700 /nfs/dbraw/zinc/25/17/00/485251700.db2.gz BAMRCIZPULNRPX-RWMBFGLXSA-N 0 3 368.478 -0.021 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000659716633 485251542 /nfs/dbraw/zinc/25/15/42/485251542.db2.gz 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CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000659717723 485250850 /nfs/dbraw/zinc/25/08/50/485250850.db2.gz JUBOSYOHBABTJO-QZTJIDSGSA-N 0 3 373.501 -0.228 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000659717724 485251730 /nfs/dbraw/zinc/25/17/30/485251730.db2.gz JUBOSYOHBABTJO-ROUUACIJSA-N 0 3 373.501 -0.228 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000659717725 485250990 /nfs/dbraw/zinc/25/09/90/485250990.db2.gz JUBOSYOHBABTJO-ZWKOTPCHSA-N 0 3 373.501 -0.228 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000659717726 485250895 /nfs/dbraw/zinc/25/08/95/485250895.db2.gz JVLANYIGGOBTBU-RBSFLKMASA-N 0 3 350.463 -0.401 20 0 FBADHN NC[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000659717727 485250778 /nfs/dbraw/zinc/25/07/78/485250778.db2.gz JVLANYIGGOBTBU-RRFJBIMHSA-N 0 3 350.463 -0.401 20 0 FBADHN CC(C)[C@H](N)CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659717830 485250923 /nfs/dbraw/zinc/25/09/23/485250923.db2.gz KDPCSPWGEOJZOP-AEJSXWLSSA-N 0 3 373.397 -0.480 20 0 FBADHN CC(C)[C@@H](N)CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659717831 485251371 /nfs/dbraw/zinc/25/13/71/485251371.db2.gz KDPCSPWGEOJZOP-GUBZILKMSA-N 0 3 373.397 -0.480 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659717862 485251753 /nfs/dbraw/zinc/25/17/53/485251753.db2.gz KOQLOTUADATUKZ-CVEARBPZSA-N 0 3 352.479 -0.057 20 0 FBADHN NC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000659717863 485251691 /nfs/dbraw/zinc/25/16/91/485251691.db2.gz KOQLOTUADATUKZ-HOTGVXAUSA-N 0 3 352.479 -0.057 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659717864 485251638 /nfs/dbraw/zinc/25/16/38/485251638.db2.gz KOQLOTUADATUKZ-HZPDHXFCSA-N 0 3 352.479 -0.057 20 0 FBADHN NC[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000659717865 485250933 /nfs/dbraw/zinc/25/09/33/485250933.db2.gz KOQLOTUADATUKZ-JKSUJKDBSA-N 0 3 352.479 -0.057 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659717962 485251160 /nfs/dbraw/zinc/25/11/60/485251160.db2.gz MGONFWRQAPXUBI-BFHYXJOUSA-N 0 3 354.451 -0.851 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659717963 485250753 /nfs/dbraw/zinc/25/07/53/485250753.db2.gz MGONFWRQAPXUBI-IHRRRGAJSA-N 0 3 354.451 -0.851 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659717964 485251281 /nfs/dbraw/zinc/25/12/81/485251281.db2.gz MGONFWRQAPXUBI-MELADBBJSA-N 0 3 354.451 -0.851 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659717965 485251237 /nfs/dbraw/zinc/25/12/37/485251237.db2.gz MGONFWRQAPXUBI-MJBXVCDLSA-N 0 3 354.451 -0.851 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCc1nc(C(N)=O)cs1)C1CCCCC1 ZINC000659718042 485251087 /nfs/dbraw/zinc/25/10/87/485251087.db2.gz LPFKDEPGHGRTND-JTQLQIEISA-N 0 3 353.448 -0.118 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCc1nc(C(N)=O)cs1)C1CCCCC1 ZINC000659718043 485251169 /nfs/dbraw/zinc/25/11/69/485251169.db2.gz LPFKDEPGHGRTND-SNVBAGLBSA-N 0 3 353.448 -0.118 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659718096 485250808 /nfs/dbraw/zinc/25/08/08/485250808.db2.gz MZPHJOLSSDCBAS-AEGPPILISA-N 0 3 368.478 -0.415 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659718097 485251004 /nfs/dbraw/zinc/25/10/04/485251004.db2.gz MZPHJOLSSDCBAS-CFVMTHIKSA-N 0 3 368.478 -0.415 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659718098 485251735 /nfs/dbraw/zinc/25/17/35/485251735.db2.gz MZPHJOLSSDCBAS-NWANDNLSSA-N 0 3 368.478 -0.415 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659718099 485250882 /nfs/dbraw/zinc/25/08/82/485250882.db2.gz MZPHJOLSSDCBAS-QEJZJMRPSA-N 0 3 368.478 -0.415 20 0 FBADHN COc1ccc(N2C[C@H](NC(=O)C(=O)N[C@@H](CN)C3CC3)CC2=O)cc1 ZINC000659718806 485251393 /nfs/dbraw/zinc/25/13/93/485251393.db2.gz RVQYVKWRTROCKR-DOMZBBRYSA-N 0 3 360.414 -0.230 20 0 FBADHN COc1ccc(N2C[C@H](NC(=O)C(=O)N[C@H](CN)C3CC3)CC2=O)cc1 ZINC000659718807 485251520 /nfs/dbraw/zinc/25/15/20/485251520.db2.gz RVQYVKWRTROCKR-IUODEOHRSA-N 0 3 360.414 -0.230 20 0 FBADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N[C@H](CN)C3CC3)CC2=O)cc1 ZINC000659718808 485251551 /nfs/dbraw/zinc/25/15/51/485251551.db2.gz RVQYVKWRTROCKR-SWLSCSKDSA-N 0 3 360.414 -0.230 20 0 FBADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N[C@@H](CN)C3CC3)CC2=O)cc1 ZINC000659718809 485251710 /nfs/dbraw/zinc/25/17/10/485251710.db2.gz RVQYVKWRTROCKR-WFASDCNBSA-N 0 3 360.414 -0.230 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000659718825 485251138 /nfs/dbraw/zinc/25/11/38/485251138.db2.gz SDCVFACPAQDRDE-BFHYXJOUSA-N 0 3 366.462 -0.314 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000659718826 485251511 /nfs/dbraw/zinc/25/15/11/485251511.db2.gz SDCVFACPAQDRDE-IHRRRGAJSA-N 0 3 366.462 -0.314 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000659718827 485251111 /nfs/dbraw/zinc/25/11/11/485251111.db2.gz SDCVFACPAQDRDE-MELADBBJSA-N 0 3 366.462 -0.314 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000659718828 485250786 /nfs/dbraw/zinc/25/07/86/485250786.db2.gz SDCVFACPAQDRDE-MJBXVCDLSA-N 0 3 366.462 -0.314 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000659719124 485252907 /nfs/dbraw/zinc/25/29/07/485252907.db2.gz VHBVWKCYNMTBTE-AVGNSLFASA-N 0 3 350.423 -0.644 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000659719125 485252057 /nfs/dbraw/zinc/25/20/57/485252057.db2.gz VHBVWKCYNMTBTE-RWMBFGLXSA-N 0 3 350.423 -0.644 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000659719126 485252761 /nfs/dbraw/zinc/25/27/61/485252761.db2.gz VHBVWKCYNMTBTE-XQQFMLRXSA-N 0 3 350.423 -0.644 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000659719127 485252435 /nfs/dbraw/zinc/25/24/35/485252435.db2.gz VHBVWKCYNMTBTE-YNEHKIRRSA-N 0 3 350.423 -0.644 20 0 FBADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000659719376 485253009 /nfs/dbraw/zinc/25/30/09/485253009.db2.gz WSWQOXYZPPIDGN-HTQZYQBOSA-N 0 3 355.420 -0.913 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000659719382 485252897 /nfs/dbraw/zinc/25/28/97/485252897.db2.gz WSWQOXYZPPIDGN-JGVFFNPUSA-N 0 3 355.420 -0.913 20 0 FBADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000659719383 485252592 /nfs/dbraw/zinc/25/25/92/485252592.db2.gz WSWQOXYZPPIDGN-SFYZADRCSA-N 0 3 355.420 -0.913 20 0 FBADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000659719384 485252951 /nfs/dbraw/zinc/25/29/51/485252951.db2.gz WSWQOXYZPPIDGN-YUMQZZPRSA-N 0 3 355.420 -0.913 20 0 FBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659719428 485252878 /nfs/dbraw/zinc/25/28/78/485252878.db2.gz XKFTUIMDIXULNW-BNOWGMLFSA-N 0 3 358.398 -0.907 20 0 FBADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000659719710 485252809 /nfs/dbraw/zinc/25/28/09/485252809.db2.gz KWKRABQGAAUABT-KBPBESRZSA-N 0 3 353.467 -0.166 20 0 FBADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000659719711 485252390 /nfs/dbraw/zinc/25/23/90/485252390.db2.gz KWKRABQGAAUABT-KGLIPLIRSA-N 0 3 353.467 -0.166 20 0 FBADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000659719712 485252466 /nfs/dbraw/zinc/25/24/66/485252466.db2.gz KWKRABQGAAUABT-UONOGXRCSA-N 0 3 353.467 -0.166 20 0 FBADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000659719713 485252975 /nfs/dbraw/zinc/25/29/75/485252975.db2.gz KWKRABQGAAUABT-ZIAGYGMSSA-N 0 3 353.467 -0.166 20 0 FBADHN CC(C)(N)CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659720095 485252754 /nfs/dbraw/zinc/25/27/54/485252754.db2.gz QGHQRICVTFTBPI-YUMQZZPRSA-N 0 3 359.370 -0.726 20 0 FBADHN O=C(NCc1ccc2c(c1)CNC2)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659720164 485252715 /nfs/dbraw/zinc/25/27/15/485252715.db2.gz AUUFMSNVMQIZEO-KRWDZBQOSA-N 0 3 358.442 -0.161 20 0 FBADHN O=C(NCc1ccc2c(c1)CNC2)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659720165 485252943 /nfs/dbraw/zinc/25/29/43/485252943.db2.gz AUUFMSNVMQIZEO-QGZVFWFLSA-N 0 3 358.442 -0.161 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659721180 485252379 /nfs/dbraw/zinc/25/23/79/485252379.db2.gz DUBUAKLRUBLQGS-HUUCEWRRSA-N 0 3 368.478 -0.902 20 0 FBADHN CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@H]1C(F)(F)F ZINC000659721312 485252578 /nfs/dbraw/zinc/25/25/78/485252578.db2.gz ZTBQUINCSQYKAN-KXUCPTDWSA-N 0 3 371.381 -0.726 20 0 FBADHN CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)C[C@H]1C(F)(F)F ZINC000659721314 485252917 /nfs/dbraw/zinc/25/29/17/485252917.db2.gz ZTBQUINCSQYKAN-OPRDCNLKSA-N 0 3 371.381 -0.726 20 0 FBADHN COCCNCCNC(=O)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000659722720 485251999 /nfs/dbraw/zinc/25/19/99/485251999.db2.gz MQLASGNJWAWTFB-UHFFFAOYSA-N 0 3 359.329 -0.024 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000659722943 485252523 /nfs/dbraw/zinc/25/25/23/485252523.db2.gz NYELWDPBHQIYLZ-CABCVRRESA-N 0 3 351.451 -0.400 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000659722945 485252686 /nfs/dbraw/zinc/25/26/86/485252686.db2.gz NYELWDPBHQIYLZ-GJZGRUSLSA-N 0 3 351.451 -0.400 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000659722946 485252027 /nfs/dbraw/zinc/25/20/27/485252027.db2.gz NYELWDPBHQIYLZ-HUUCEWRRSA-N 0 3 351.451 -0.400 20 0 FBADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000659722948 485252405 /nfs/dbraw/zinc/25/24/05/485252405.db2.gz NYELWDPBHQIYLZ-LSDHHAIUSA-N 0 3 351.451 -0.400 20 0 FBADHN CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NCC2(N)CCC2)C[C@H]1C(F)(F)F ZINC000659723586 484534710 /nfs/dbraw/zinc/53/47/10/484534710.db2.gz RULBMHFJCADHKM-RKDXNWHRSA-N 0 3 371.381 -0.582 20 0 FBADHN COc1cccc(OC)c1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000659725749 485253909 /nfs/dbraw/zinc/25/39/09/485253909.db2.gz DMRTUUGQIMOPLN-GFCCVEGCSA-N 0 3 350.419 -0.579 20 0 FBADHN COc1cccc(OC)c1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000659725751 485253813 /nfs/dbraw/zinc/25/38/13/485253813.db2.gz DMRTUUGQIMOPLN-LBPRGKRZSA-N 0 3 350.419 -0.579 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCCCO1 ZINC000659726611 485255053 /nfs/dbraw/zinc/25/50/53/485255053.db2.gz LHOCWXDAODIUPH-NEPJUHHUSA-N 0 3 351.407 -0.279 20 0 FBADHN CC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCCCO1 ZINC000659726616 485254792 /nfs/dbraw/zinc/25/47/92/485254792.db2.gz LHOCWXDAODIUPH-NWDGAFQWSA-N 0 3 351.407 -0.279 20 0 FBADHN CC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCCCO1 ZINC000659726621 485254441 /nfs/dbraw/zinc/25/44/41/485254441.db2.gz LHOCWXDAODIUPH-RYUDHWBXSA-N 0 3 351.407 -0.279 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCCCO1 ZINC000659726624 485255166 /nfs/dbraw/zinc/25/51/66/485255166.db2.gz LHOCWXDAODIUPH-VXGBXAGGSA-N 0 3 351.407 -0.279 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)[C@H](CN)C1 ZINC000659728185 485254417 /nfs/dbraw/zinc/25/44/17/485254417.db2.gz LTSHCKGBICYNCU-OCCSQVGLSA-N 0 3 357.414 -0.104 20 0 FBADHN COc1c(C)cccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659728554 485254589 /nfs/dbraw/zinc/25/45/89/485254589.db2.gz WEXAXCQSUOXKTI-UHFFFAOYSA-N 0 3 359.386 -0.109 20 0 FBADHN COC[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(OC)c1 ZINC000659728967 485255150 /nfs/dbraw/zinc/25/51/50/485255150.db2.gz PPCNUNWTVJFCSD-CABCVRRESA-N 0 3 351.403 -0.397 20 0 FBADHN COC[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(OC)c1 ZINC000659728968 485255078 /nfs/dbraw/zinc/25/50/78/485255078.db2.gz PPCNUNWTVJFCSD-GJZGRUSLSA-N 0 3 351.403 -0.397 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(OC)c1 ZINC000659728969 485255219 /nfs/dbraw/zinc/25/52/19/485255219.db2.gz PPCNUNWTVJFCSD-HUUCEWRRSA-N 0 3 351.403 -0.397 20 0 FBADHN COC[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(OC)c1 ZINC000659728970 485254371 /nfs/dbraw/zinc/25/43/71/485254371.db2.gz PPCNUNWTVJFCSD-LSDHHAIUSA-N 0 3 351.403 -0.397 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cccc(OC)c1 ZINC000659729109 485254873 /nfs/dbraw/zinc/25/48/73/485254873.db2.gz NCLDSJOFULOBEW-GDBMZVCRSA-N 0 3 364.446 -0.400 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cccc(OC)c1 ZINC000659729110 485254522 /nfs/dbraw/zinc/25/45/22/485254522.db2.gz NCLDSJOFULOBEW-GOEBONIOSA-N 0 3 364.446 -0.400 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cccc(OC)c1 ZINC000659729111 485254708 /nfs/dbraw/zinc/25/47/08/485254708.db2.gz NCLDSJOFULOBEW-HOCLYGCPSA-N 0 3 364.446 -0.400 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cccc(OC)c1 ZINC000659729113 485255036 /nfs/dbraw/zinc/25/50/36/485255036.db2.gz NCLDSJOFULOBEW-ZBFHGGJFSA-N 0 3 364.446 -0.400 20 0 FBADHN O=C(NCc1cccc2c1OC(F)(F)O2)C(=O)NC[C@@H]1CNCCO1 ZINC000659729314 485254508 /nfs/dbraw/zinc/25/45/08/485254508.db2.gz QRJNIGKQAOOZOF-JTQLQIEISA-N 0 3 357.313 -0.271 20 0 FBADHN O=C(NCc1cccc2c1OC(F)(F)O2)C(=O)NC[C@H]1CNCCO1 ZINC000659729316 485254603 /nfs/dbraw/zinc/25/46/03/485254603.db2.gz QRJNIGKQAOOZOF-SNVBAGLBSA-N 0 3 357.313 -0.271 20 0 FBADHN COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCCNCC3)CC2=O)cc1 ZINC000659729455 485255200 /nfs/dbraw/zinc/25/52/00/485255200.db2.gz NJSWNBOPZLJBRD-CYBMUJFWSA-N 0 3 360.414 -0.261 20 0 FBADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CCCNCC3)CC2=O)cc1 ZINC000659729456 485254454 /nfs/dbraw/zinc/25/44/54/485254454.db2.gz NJSWNBOPZLJBRD-ZDUSSCGKSA-N 0 3 360.414 -0.261 20 0 FBADHN COc1ccc(N2C[C@H](NC(=O)C(=O)N3CC4CC3(CN)C4)CC2=O)cc1 ZINC000659730329 485255577 /nfs/dbraw/zinc/25/55/77/485255577.db2.gz SMPJBYOGMCIRTK-FWHMADFJSA-N 0 3 372.425 -0.134 20 0 FBADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CC4CC3(CN)C4)CC2=O)cc1 ZINC000659730330 485255825 /nfs/dbraw/zinc/25/58/25/485255825.db2.gz SMPJBYOGMCIRTK-MLZJXEJWSA-N 0 3 372.425 -0.134 20 0 FBADHN Cc1ccncc1CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000659730893 485255642 /nfs/dbraw/zinc/25/56/42/485255642.db2.gz XOANVNOPGUXAFT-JKSUJKDBSA-N 0 3 356.430 -0.264 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccnc3ccccc23)[C@@H](CN)C1 ZINC000659730923 485255930 /nfs/dbraw/zinc/25/59/30/485255930.db2.gz YLRNFIBVRATSIU-HNNXBMFYSA-N 0 3 355.442 -0.005 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCc2ccnc3ccccc23)[C@H](CN)C1 ZINC000659730924 485256273 /nfs/dbraw/zinc/25/62/73/485256273.db2.gz YLRNFIBVRATSIU-OAHLLOKOSA-N 0 3 355.442 -0.005 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCO[C@@H]3CC3(F)F)C[C@H]2N)cn1 ZINC000659731406 485255663 /nfs/dbraw/zinc/25/56/63/485255663.db2.gz CLVFPSVMSSNADA-QJPTWQEYSA-N 0 3 357.361 -0.786 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCO[C@H]3CC3(F)F)C[C@H]2N)cn1 ZINC000659731407 485256139 /nfs/dbraw/zinc/25/61/39/485256139.db2.gz CLVFPSVMSSNADA-TUAOUCFPSA-N 0 3 357.361 -0.786 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCO[C@H]3CC3(F)F)C2)nn1 ZINC000659731682 485255611 /nfs/dbraw/zinc/25/56/11/485255611.db2.gz YPQSXKITWNLQAC-NEPJUHHUSA-N 0 3 372.376 -0.559 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCO[C@@H]3CC3(F)F)C2)nn1 ZINC000659731683 485256226 /nfs/dbraw/zinc/25/62/26/485256226.db2.gz YPQSXKITWNLQAC-NWDGAFQWSA-N 0 3 372.376 -0.559 20 0 FBADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCO[C@H]3CC3(F)F)C2)nn1 ZINC000659731684 485255567 /nfs/dbraw/zinc/25/55/67/485255567.db2.gz YPQSXKITWNLQAC-RYUDHWBXSA-N 0 3 372.376 -0.559 20 0 FBADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCO[C@@H]3CC3(F)F)C2)nn1 ZINC000659731685 485255622 /nfs/dbraw/zinc/25/56/22/485255622.db2.gz YPQSXKITWNLQAC-VXGBXAGGSA-N 0 3 372.376 -0.559 20 0 FBADHN C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)O1 ZINC000659735471 485257264 /nfs/dbraw/zinc/25/72/64/485257264.db2.gz GPQVNDBSQUZWGZ-BPLDGKMQSA-N 0 3 364.450 -0.026 20 0 FBADHN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)O1 ZINC000659735473 485256955 /nfs/dbraw/zinc/25/69/55/485256955.db2.gz GPQVNDBSQUZWGZ-SNPRPXQTSA-N 0 3 364.450 -0.026 20 0 FBADHN C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)O1 ZINC000659735476 485256880 /nfs/dbraw/zinc/25/68/80/485256880.db2.gz GPQVNDBSQUZWGZ-VHDGCEQUSA-N 0 3 364.450 -0.026 20 0 FBADHN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)O1 ZINC000659735478 485257083 /nfs/dbraw/zinc/25/70/83/485257083.db2.gz GPQVNDBSQUZWGZ-YUELXQCFSA-N 0 3 364.450 -0.026 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)[C@H](CN)C1 ZINC000659737636 485256690 /nfs/dbraw/zinc/25/66/90/485256690.db2.gz XYEPVKZNKFHOCL-BBWFWOEESA-N 0 3 360.458 -0.223 20 0 FBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)[C@@H](CN)C1 ZINC000659737637 485256652 /nfs/dbraw/zinc/25/66/52/485256652.db2.gz XYEPVKZNKFHOCL-ULQDDVLXSA-N 0 3 360.458 -0.223 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659738134 485257231 /nfs/dbraw/zinc/25/72/31/485257231.db2.gz AGUAHTWGCOILDL-RBSFLKMASA-N 0 3 350.463 -0.434 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659738135 485256939 /nfs/dbraw/zinc/25/69/39/485256939.db2.gz AGUAHTWGCOILDL-RRFJBIMHSA-N 0 3 350.463 -0.434 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659738153 485256970 /nfs/dbraw/zinc/25/69/70/485256970.db2.gz ARJIHVPDHHITRT-NWPKHEMWSA-N 0 3 362.474 -0.304 20 0 FBADHN O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C(=O)N1CCCNCC1 ZINC000659738240 485257357 /nfs/dbraw/zinc/25/73/57/485257357.db2.gz CAXIDYDWXIEVMS-HUUCEWRRSA-N 0 3 350.463 -0.432 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCN1 ZINC000659738603 485256845 /nfs/dbraw/zinc/25/68/45/485256845.db2.gz GTSAHMNVEIAJKH-HZPDHXFCSA-N 0 3 352.479 -0.188 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCN1 ZINC000659738605 485257065 /nfs/dbraw/zinc/25/70/65/485257065.db2.gz GTSAHMNVEIAJKH-JKSUJKDBSA-N 0 3 352.479 -0.188 20 0 FBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000659738632 485256998 /nfs/dbraw/zinc/25/69/98/485256998.db2.gz HHMFSBAPAOSMQB-OWCLPIDISA-N 0 3 350.463 -0.291 20 0 FBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000659738633 485256825 /nfs/dbraw/zinc/25/68/25/485256825.db2.gz HHMFSBAPAOSMQB-XHSDSOJGSA-N 0 3 350.463 -0.291 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000659738652 485256906 /nfs/dbraw/zinc/25/69/06/485256906.db2.gz HUVMNBFACKODKU-CABCVRRESA-N 0 3 365.478 -0.990 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000659738653 485256732 /nfs/dbraw/zinc/25/67/32/485256732.db2.gz HUVMNBFACKODKU-GJZGRUSLSA-N 0 3 365.478 -0.990 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000659738654 485257513 /nfs/dbraw/zinc/25/75/13/485257513.db2.gz HUVMNBFACKODKU-HUUCEWRRSA-N 0 3 365.478 -0.990 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000659738655 485257334 /nfs/dbraw/zinc/25/73/34/485257334.db2.gz HUVMNBFACKODKU-LSDHHAIUSA-N 0 3 365.478 -0.990 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659738695 485257936 /nfs/dbraw/zinc/25/79/36/485257936.db2.gz INIMGIJRZCIPAP-CVEARBPZSA-N 0 3 352.479 -0.044 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659738696 485258216 /nfs/dbraw/zinc/25/82/16/485258216.db2.gz INIMGIJRZCIPAP-HOTGVXAUSA-N 0 3 352.479 -0.044 20 0 FBADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659738697 485258253 /nfs/dbraw/zinc/25/82/53/485258253.db2.gz INIMGIJRZCIPAP-HZPDHXFCSA-N 0 3 352.479 -0.044 20 0 FBADHN CCC[C@H]1CNCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659738698 485258669 /nfs/dbraw/zinc/25/86/69/485258669.db2.gz INIMGIJRZCIPAP-JKSUJKDBSA-N 0 3 352.479 -0.044 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@H](C)N1 ZINC000659738707 485258131 /nfs/dbraw/zinc/25/81/31/485258131.db2.gz IQGHAEDLFQUIKJ-CAOSSQGBSA-N 0 3 364.490 -0.045 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@@H](C)N1 ZINC000659738708 485258225 /nfs/dbraw/zinc/25/82/25/485258225.db2.gz IQGHAEDLFQUIKJ-KLHDSHLOSA-N 0 3 364.490 -0.045 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@H](C)N1 ZINC000659738709 485258543 /nfs/dbraw/zinc/25/85/43/485258543.db2.gz IQGHAEDLFQUIKJ-QKPAOTATSA-N 0 3 364.490 -0.045 20 0 FBADHN NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659738864 485258268 /nfs/dbraw/zinc/25/82/68/485258268.db2.gz JHCNBFWFTYMTEV-RBSFLKMASA-N 0 3 350.463 -0.304 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC[C@H]1F ZINC000659738918 485258291 /nfs/dbraw/zinc/25/82/91/485258291.db2.gz KOIRCIDXOOKIBK-KBUPBQIOSA-N 0 3 368.453 -0.356 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659739264 485258388 /nfs/dbraw/zinc/25/83/88/485258388.db2.gz PHCFLBOWFNRFEH-DZGCQCFKSA-N 0 3 363.466 -0.499 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659739265 485258592 /nfs/dbraw/zinc/25/85/92/485258592.db2.gz PHCFLBOWFNRFEH-HIFRSBDPSA-N 0 3 363.466 -0.499 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659739266 485258475 /nfs/dbraw/zinc/25/84/75/485258475.db2.gz PHCFLBOWFNRFEH-UKRRQHHQSA-N 0 3 363.466 -0.499 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659739267 485258037 /nfs/dbraw/zinc/25/80/37/485258037.db2.gz PHCFLBOWFNRFEH-ZFWWWQNUSA-N 0 3 363.466 -0.499 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCN1 ZINC000659739275 485258080 /nfs/dbraw/zinc/25/80/80/485258080.db2.gz PPEBWHQGZFAFPN-RBSFLKMASA-N 0 3 350.463 -0.434 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCN1 ZINC000659739276 485257959 /nfs/dbraw/zinc/25/79/59/485257959.db2.gz PPEBWHQGZFAFPN-RRFJBIMHSA-N 0 3 350.463 -0.434 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@@H](C)CN1 ZINC000659739481 485258441 /nfs/dbraw/zinc/25/84/41/485258441.db2.gz VNIWSOCVBSKABJ-CAOSSQGBSA-N 0 3 364.490 -0.045 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@H](C)CN1 ZINC000659739482 485258280 /nfs/dbraw/zinc/25/82/80/485258280.db2.gz VNIWSOCVBSKABJ-KLHDSHLOSA-N 0 3 364.490 -0.045 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@@H](C)CN1 ZINC000659739483 485258009 /nfs/dbraw/zinc/25/80/09/485258009.db2.gz VNIWSOCVBSKABJ-QKPAOTATSA-N 0 3 364.490 -0.045 20 0 FBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659739484 485258053 /nfs/dbraw/zinc/25/80/53/485258053.db2.gz VNIWSOCVBSKABJ-ZJIFWQFVSA-N 0 3 364.490 -0.045 20 0 FBADHN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(=O)N2CCN(C)C[C@H]2CN)cn1 ZINC000659740201 485258988 /nfs/dbraw/zinc/25/89/88/485258988.db2.gz GHIMQMFGWOZFSR-ARFHVFGLSA-N 0 3 362.478 -0.651 20 0 FBADHN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)C(=O)N2CCN(C)C[C@H]2CN)cn1 ZINC000659740202 485259100 /nfs/dbraw/zinc/25/91/00/485259100.db2.gz GHIMQMFGWOZFSR-BZUAXINKSA-N 0 3 362.478 -0.651 20 0 FBADHN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cn1 ZINC000659740203 485259642 /nfs/dbraw/zinc/25/96/42/485259642.db2.gz GHIMQMFGWOZFSR-HRCADAONSA-N 0 3 362.478 -0.651 20 0 FBADHN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cn1 ZINC000659740204 485259297 /nfs/dbraw/zinc/25/92/97/485259297.db2.gz GHIMQMFGWOZFSR-OWCLPIDISA-N 0 3 362.478 -0.651 20 0 FBADHN CO[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CCCC1 ZINC000659740472 485259388 /nfs/dbraw/zinc/25/93/88/485259388.db2.gz NMKGZMGTKMACIH-ARFHVFGLSA-N 0 3 363.462 -0.005 20 0 FBADHN CO[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CCCC1 ZINC000659740474 485259022 /nfs/dbraw/zinc/25/90/22/485259022.db2.gz NMKGZMGTKMACIH-XHSDSOJGSA-N 0 3 363.462 -0.005 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000659741518 485259714 /nfs/dbraw/zinc/25/97/14/485259714.db2.gz NSSSTPJNMBQQKX-UHFFFAOYSA-N 0 3 361.427 -0.154 20 0 FBADHN CO[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCC1 ZINC000659742132 485259203 /nfs/dbraw/zinc/25/92/03/485259203.db2.gz ZEWJIAJLXZUOQF-GFCCVEGCSA-N 0 3 351.407 -0.422 20 0 FBADHN CO[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCC1 ZINC000659742134 485259162 /nfs/dbraw/zinc/25/91/62/485259162.db2.gz ZEWJIAJLXZUOQF-LBPRGKRZSA-N 0 3 351.407 -0.422 20 0 FBADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000659743135 485260476 /nfs/dbraw/zinc/26/04/76/485260476.db2.gz XFIQNFQPOHPBLJ-CYBMUJFWSA-N 0 3 373.438 -0.057 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000659743136 485260378 /nfs/dbraw/zinc/26/03/78/485260378.db2.gz XFIQNFQPOHPBLJ-ZDUSSCGKSA-N 0 3 373.438 -0.057 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCNCC2)C1 ZINC000659745437 485260515 /nfs/dbraw/zinc/26/05/15/485260515.db2.gz BGYJICASEZEJAD-KRWDZBQOSA-N 0 3 359.474 -0.649 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCNCC2)C1 ZINC000659745438 485260133 /nfs/dbraw/zinc/26/01/33/485260133.db2.gz BGYJICASEZEJAD-QGZVFWFLSA-N 0 3 359.474 -0.649 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746335 485262190 /nfs/dbraw/zinc/26/21/90/485262190.db2.gz KHGBXKWZZCGOSD-DOTOQJQBSA-N 0 3 361.490 -0.276 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746336 485261234 /nfs/dbraw/zinc/26/12/34/485261234.db2.gz KHGBXKWZZCGOSD-NVXWUHKLSA-N 0 3 361.490 -0.276 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746337 485261527 /nfs/dbraw/zinc/26/15/27/485261527.db2.gz KHGBXKWZZCGOSD-RDJZCZTQSA-N 0 3 361.490 -0.276 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746338 485262111 /nfs/dbraw/zinc/26/21/11/485262111.db2.gz KHGBXKWZZCGOSD-WBVHZDCISA-N 0 3 361.490 -0.276 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000659746354 485261260 /nfs/dbraw/zinc/26/12/60/485261260.db2.gz KZDJRUYMLXOQTH-GOSISDBHSA-N 0 3 373.501 -0.259 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000659746355 485261765 /nfs/dbraw/zinc/26/17/65/485261765.db2.gz KZDJRUYMLXOQTH-SFHVURJKSA-N 0 3 373.501 -0.259 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CCN1 ZINC000659746401 485261202 /nfs/dbraw/zinc/26/12/02/485261202.db2.gz MOBXDWWCZZYXGN-AEFFLSMTSA-N 0 3 373.501 -0.261 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CCN1 ZINC000659746402 485261327 /nfs/dbraw/zinc/26/13/27/485261327.db2.gz MOBXDWWCZZYXGN-FUHWJXTLSA-N 0 3 373.501 -0.261 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CCN1 ZINC000659746403 485261918 /nfs/dbraw/zinc/26/19/18/485261918.db2.gz MOBXDWWCZZYXGN-SJLPKXTDSA-N 0 3 373.501 -0.261 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CCN1 ZINC000659746404 485261374 /nfs/dbraw/zinc/26/13/74/485261374.db2.gz MOBXDWWCZZYXGN-WMZOPIPTSA-N 0 3 373.501 -0.261 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000659746548 485261095 /nfs/dbraw/zinc/26/10/95/485261095.db2.gz NXHWAPBFMAABBA-MSOLQXFVSA-N 0 3 373.501 -0.132 20 0 FBADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000659746549 485262382 /nfs/dbraw/zinc/26/23/82/485262382.db2.gz NXHWAPBFMAABBA-QZTJIDSGSA-N 0 3 373.501 -0.132 20 0 FBADHN CO[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCCC1 ZINC000659746789 485260941 /nfs/dbraw/zinc/26/09/41/485260941.db2.gz QWCNWFTUBSOCDU-CYBMUJFWSA-N 0 3 365.434 -0.031 20 0 FBADHN CO[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCCC1 ZINC000659746790 485261930 /nfs/dbraw/zinc/26/19/30/485261930.db2.gz QWCNWFTUBSOCDU-ZDUSSCGKSA-N 0 3 365.434 -0.031 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc3c2OC(F)(F)O3)[C@H](CN)C1 ZINC000659746860 485261788 /nfs/dbraw/zinc/26/17/88/485261788.db2.gz RQRZSQLSJYNTFT-LLVKDONJSA-N 0 3 370.356 -0.274 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2cccc3c2OC(F)(F)O3)[C@@H](CN)C1 ZINC000659746861 485262228 /nfs/dbraw/zinc/26/22/28/485262228.db2.gz RQRZSQLSJYNTFT-NSHDSACASA-N 0 3 370.356 -0.274 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746934 485261450 /nfs/dbraw/zinc/26/14/50/485261450.db2.gz SWVHBEUSFPUQLT-AEFFLSMTSA-N 0 3 373.501 -0.261 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746935 485261011 /nfs/dbraw/zinc/26/10/11/485261011.db2.gz SWVHBEUSFPUQLT-FUHWJXTLSA-N 0 3 373.501 -0.261 20 0 FBADHN C[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746936 485261798 /nfs/dbraw/zinc/26/17/98/485261798.db2.gz SWVHBEUSFPUQLT-SJLPKXTDSA-N 0 3 373.501 -0.261 20 0 FBADHN C[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000659746937 485261575 /nfs/dbraw/zinc/26/15/75/485261575.db2.gz SWVHBEUSFPUQLT-WMZOPIPTSA-N 0 3 373.501 -0.261 20 0 FBADHN CCN1C[C@@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C ZINC000659747281 485261478 /nfs/dbraw/zinc/26/14/78/485261478.db2.gz ACBMGIRBIOCLCS-GHMZBOCLSA-N 0 3 350.423 -0.802 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C ZINC000659747282 485261116 /nfs/dbraw/zinc/26/11/16/485261116.db2.gz ACBMGIRBIOCLCS-MNOVXSKESA-N 0 3 350.423 -0.802 20 0 FBADHN CCN1C[C@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C ZINC000659747283 485261398 /nfs/dbraw/zinc/26/13/98/485261398.db2.gz ACBMGIRBIOCLCS-QWRGUYRKSA-N 0 3 350.423 -0.802 20 0 FBADHN CCN1C[C@@H](C)N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C ZINC000659747284 485260912 /nfs/dbraw/zinc/26/09/12/485260912.db2.gz ACBMGIRBIOCLCS-WDEREUQCSA-N 0 3 350.423 -0.802 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000659747348 485261664 /nfs/dbraw/zinc/26/16/64/485261664.db2.gz CKYRECGUFDFKDD-UHFFFAOYSA-N 0 3 370.413 -0.394 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@]3(CCCOC3)C2)n1 ZINC000659747354 485261339 /nfs/dbraw/zinc/26/13/39/485261339.db2.gz CTFUQBKJOCBIAA-KRWDZBQOSA-N 0 3 363.418 -0.324 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@@]3(CCCOC3)C2)n1 ZINC000659747355 485261686 /nfs/dbraw/zinc/26/16/86/485261686.db2.gz CTFUQBKJOCBIAA-QGZVFWFLSA-N 0 3 363.418 -0.324 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)n1 ZINC000659747564 485262042 /nfs/dbraw/zinc/26/20/42/485262042.db2.gz DYYLRZZPEQNYAP-CYBMUJFWSA-N 0 3 363.418 -0.325 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@H](OCC3CC3)C2)n1 ZINC000659747565 485261058 /nfs/dbraw/zinc/26/10/58/485261058.db2.gz DYYLRZZPEQNYAP-ZDUSSCGKSA-N 0 3 363.418 -0.325 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCc3cccc(F)c3C2)n1 ZINC000659747604 485261074 /nfs/dbraw/zinc/26/10/74/485261074.db2.gz GAPSOVZRSOVYBR-UHFFFAOYSA-N 0 3 359.361 -0.019 20 0 FBADHN CCC(C)(C)N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659747610 485262356 /nfs/dbraw/zinc/26/23/56/485262356.db2.gz GFXNJZVKVSZIDJ-UHFFFAOYSA-N 0 3 364.450 -0.410 20 0 FBADHN CC(C)O[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747618 485260997 /nfs/dbraw/zinc/26/09/97/485260997.db2.gz GNUYCEAKSOVTMD-GFCCVEGCSA-N 0 3 351.407 -0.327 20 0 FBADHN CC(C)O[C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747619 485261021 /nfs/dbraw/zinc/26/10/21/485261021.db2.gz GNUYCEAKSOVTMD-LBPRGKRZSA-N 0 3 351.407 -0.327 20 0 FBADHN COCC[C@H]1CCCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747645 485262277 /nfs/dbraw/zinc/26/22/77/485262277.db2.gz HFAWXLZKTNUBNX-GFCCVEGCSA-N 0 3 365.434 -0.078 20 0 FBADHN COCC[C@@H]1CCCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747646 485262332 /nfs/dbraw/zinc/26/23/32/485262332.db2.gz HFAWXLZKTNUBNX-LBPRGKRZSA-N 0 3 365.434 -0.078 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)n1 ZINC000659747655 485260957 /nfs/dbraw/zinc/26/09/57/485260957.db2.gz HKCDDJAZXKNCOC-AWEZNQCLSA-N 0 3 371.397 -0.143 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)n1 ZINC000659747659 485261214 /nfs/dbraw/zinc/26/12/14/485261214.db2.gz HKCDDJAZXKNCOC-CQSZACIVSA-N 0 3 371.397 -0.143 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)Cc2ccccc21 ZINC000659747662 485261771 /nfs/dbraw/zinc/26/17/71/485261771.db2.gz HKTUFMMICIICIB-UHFFFAOYSA-N 0 3 370.413 -0.264 20 0 FBADHN COc1ccc2c(c1)CCN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2 ZINC000659747765 485262129 /nfs/dbraw/zinc/26/21/29/485262129.db2.gz JGEADPMTUFQVSJ-UHFFFAOYSA-N 0 3 371.397 -0.149 20 0 FBADHN COC[C@@H]1CCCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747802 485262699 /nfs/dbraw/zinc/26/26/99/485262699.db2.gz JZVSIQUQSIFPFP-LLVKDONJSA-N 0 3 351.407 -0.468 20 0 FBADHN COC[C@H]1CCCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747804 485263418 /nfs/dbraw/zinc/26/34/18/485263418.db2.gz JZVSIQUQSIFPFP-NSHDSACASA-N 0 3 351.407 -0.468 20 0 FBADHN CC[C@H](COCC1CC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747854 485263015 /nfs/dbraw/zinc/26/30/15/485263015.db2.gz KUYCJPMGPQZODK-LLVKDONJSA-N 0 3 351.407 -0.422 20 0 FBADHN CC[C@@H](COCC1CC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747856 485263322 /nfs/dbraw/zinc/26/33/22/485263322.db2.gz KUYCJPMGPQZODK-NSHDSACASA-N 0 3 351.407 -0.422 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCc3ccc(O)cc3C2)n1 ZINC000659747897 485263862 /nfs/dbraw/zinc/26/38/62/485263862.db2.gz AERNLHYDJWJMPA-UHFFFAOYSA-N 0 3 357.370 -0.452 20 0 FBADHN CC(C)COC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659747902 485263103 /nfs/dbraw/zinc/26/31/03/485263103.db2.gz AKWTUWPFMPTOCZ-UHFFFAOYSA-N 0 3 365.434 -0.079 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@H](Oc3ccccc3)C2)n1 ZINC000659747952 485263999 /nfs/dbraw/zinc/26/39/99/485263999.db2.gz LMCBEPSDXHXJFQ-AWEZNQCLSA-N 0 3 371.397 -0.063 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000659747954 485263633 /nfs/dbraw/zinc/26/36/33/485263633.db2.gz LMCBEPSDXHXJFQ-CQSZACIVSA-N 0 3 371.397 -0.063 20 0 FBADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747955 485262715 /nfs/dbraw/zinc/26/27/15/485262715.db2.gz BKNJOOMMRHQKHY-KRWDZBQOSA-N 0 3 365.434 -0.343 20 0 FBADHN CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747957 485263531 /nfs/dbraw/zinc/26/35/31/485263531.db2.gz BKNJOOMMRHQKHY-QGZVFWFLSA-N 0 3 365.434 -0.343 20 0 FBADHN COc1ccccc1CN(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747967 485263587 /nfs/dbraw/zinc/26/35/87/485263587.db2.gz LSALZEFFNKPYAO-UHFFFAOYSA-N 0 3 359.386 -0.076 20 0 FBADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747975 485262912 /nfs/dbraw/zinc/26/29/12/485262912.db2.gz LZNPKGGRAPPVOG-UHFFFAOYSA-N 0 3 372.429 -0.148 20 0 FBADHN COc1ccccc1CCN(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748043 485263874 /nfs/dbraw/zinc/26/38/74/485263874.db2.gz MQWRYFKXOZWUKK-UHFFFAOYSA-N 0 3 373.413 -0.033 20 0 FBADHN COCC1(C)CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748044 485263671 /nfs/dbraw/zinc/26/36/71/485263671.db2.gz MVOXBRZUUOASQU-UHFFFAOYSA-N 0 3 351.407 -0.468 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000659748083 485262878 /nfs/dbraw/zinc/26/28/78/485262878.db2.gz OMVUDVUUJGPVAW-UHFFFAOYSA-N 0 3 371.401 -0.999 20 0 FBADHN COc1ccc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659748120 485264037 /nfs/dbraw/zinc/26/40/37/485264037.db2.gz DDGZUDXWHDGYMP-UHFFFAOYSA-N 0 3 359.386 -0.076 20 0 FBADHN CN(CCOc1ccccc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748128 485263696 /nfs/dbraw/zinc/26/36/96/485263696.db2.gz DPAJFBVTFIOARN-UHFFFAOYSA-N 0 3 359.386 -0.206 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)n1 ZINC000659748131 485263071 /nfs/dbraw/zinc/26/30/71/485263071.db2.gz DUOXXWDBGQDMTG-GFCCVEGCSA-N 0 3 361.358 -0.550 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)n1 ZINC000659748132 485263254 /nfs/dbraw/zinc/26/32/54/485263254.db2.gz DUOXXWDBGQDMTG-LBPRGKRZSA-N 0 3 361.358 -0.550 20 0 FBADHN COCCN(Cc1ccccc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748153 485262808 /nfs/dbraw/zinc/26/28/08/485262808.db2.gz FFCQCNQZXKEQGR-UHFFFAOYSA-N 0 3 373.413 -0.068 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H]1CCO ZINC000659748171 485262994 /nfs/dbraw/zinc/26/29/94/485262994.db2.gz PEXUCUWEPUGQTG-CMPLNLGQSA-N 0 3 351.407 -0.733 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H]1CCO ZINC000659748173 485263355 /nfs/dbraw/zinc/26/33/55/485263355.db2.gz PEXUCUWEPUGQTG-JQWIXIFHSA-N 0 3 351.407 -0.733 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H]1CCO ZINC000659748174 485263124 /nfs/dbraw/zinc/26/31/24/485263124.db2.gz PEXUCUWEPUGQTG-PWSUYJOCSA-N 0 3 351.407 -0.733 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H]1CCO ZINC000659748177 485263210 /nfs/dbraw/zinc/26/32/10/485263210.db2.gz PEXUCUWEPUGQTG-ZYHUDNBSSA-N 0 3 351.407 -0.733 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCS1 ZINC000659748188 485263238 /nfs/dbraw/zinc/26/32/38/485263238.db2.gz PQDIBRCSKADCOA-LLVKDONJSA-N 0 3 353.448 -0.143 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCS1 ZINC000659748195 485263502 /nfs/dbraw/zinc/26/35/02/485263502.db2.gz PQDIBRCSKADCOA-NSHDSACASA-N 0 3 353.448 -0.143 20 0 FBADHN CCC(CC)N(CCOC)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748199 485263087 /nfs/dbraw/zinc/26/30/87/485263087.db2.gz PSFPYNKYPCQKAC-UHFFFAOYSA-N 0 3 353.423 -0.079 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1n1ccnc1 ZINC000659748244 485263848 /nfs/dbraw/zinc/26/38/48/485263848.db2.gz HBJUADULQPLKSY-AAEUAGOBSA-N 0 3 373.417 -0.437 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1n1ccnc1 ZINC000659748246 485263945 /nfs/dbraw/zinc/26/39/45/485263945.db2.gz HBJUADULQPLKSY-DGCLKSJQSA-N 0 3 373.417 -0.437 20 0 FBADHN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659748248 485263273 /nfs/dbraw/zinc/26/32/73/485263273.db2.gz QQELGUVJZGSTKA-NEPJUHHUSA-N 0 3 365.434 -0.081 20 0 FBADHN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659748249 485264053 /nfs/dbraw/zinc/26/40/53/485264053.db2.gz QQELGUVJZGSTKA-NWDGAFQWSA-N 0 3 365.434 -0.081 20 0 FBADHN CCO[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659748250 485263915 /nfs/dbraw/zinc/26/39/15/485263915.db2.gz QQELGUVJZGSTKA-RYUDHWBXSA-N 0 3 365.434 -0.081 20 0 FBADHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659748251 485262726 /nfs/dbraw/zinc/26/27/26/485262726.db2.gz QQELGUVJZGSTKA-VXGBXAGGSA-N 0 3 365.434 -0.081 20 0 FBADHN COc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1C ZINC000659748252 485263562 /nfs/dbraw/zinc/26/35/62/485263562.db2.gz QROTZKJSZZNEHH-UHFFFAOYSA-N 0 3 359.386 -0.109 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCc3ccc(F)cc3C2)n1 ZINC000659748288 485262824 /nfs/dbraw/zinc/26/28/24/485262824.db2.gz SIGIPXXNMZEMLZ-UHFFFAOYSA-N 0 3 359.361 -0.019 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCc3cc(F)ccc3C2)n1 ZINC000659748292 485262948 /nfs/dbraw/zinc/26/29/48/485262948.db2.gz SNFBNDGNWFLCJP-UHFFFAOYSA-N 0 3 359.361 -0.019 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1n1ccnc1 ZINC000659748295 485263795 /nfs/dbraw/zinc/26/37/95/485263795.db2.gz HBJUADULQPLKSY-WCQYABFASA-N 0 3 373.417 -0.437 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1n1ccnc1 ZINC000659748296 485263546 /nfs/dbraw/zinc/26/35/46/485263546.db2.gz HBJUADULQPLKSY-YPMHNXCESA-N 0 3 373.417 -0.437 20 0 FBADHN COc1ccc2c(c1)CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2 ZINC000659748347 485262738 /nfs/dbraw/zinc/26/27/38/485262738.db2.gz UCJSDVZTYGKHQY-UHFFFAOYSA-N 0 3 357.370 -0.192 20 0 FBADHN COC[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748379 485262961 /nfs/dbraw/zinc/26/29/61/485262961.db2.gz IOWWOTAXDFEMHX-LLVKDONJSA-N 0 3 351.407 -0.468 20 0 FBADHN COC[C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748381 485262886 /nfs/dbraw/zinc/26/28/86/485262886.db2.gz IOWWOTAXDFEMHX-NSHDSACASA-N 0 3 351.407 -0.468 20 0 FBADHN CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748394 485263897 /nfs/dbraw/zinc/26/38/97/485263897.db2.gz VFERUKQRUSQRIF-NEPJUHHUSA-N 0 3 351.407 -0.327 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](CC)CO1 ZINC000659748396 485263766 /nfs/dbraw/zinc/26/37/66/485263766.db2.gz VFERUKQRUSQRIF-NWDGAFQWSA-N 0 3 351.407 -0.327 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](CC)CO1 ZINC000659748398 485263685 /nfs/dbraw/zinc/26/36/85/485263685.db2.gz VFERUKQRUSQRIF-RYUDHWBXSA-N 0 3 351.407 -0.327 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](CC)CO1 ZINC000659748400 485263824 /nfs/dbraw/zinc/26/38/24/485263824.db2.gz VFERUKQRUSQRIF-VXGBXAGGSA-N 0 3 351.407 -0.327 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748404 485263175 /nfs/dbraw/zinc/26/31/75/485263175.db2.gz VFSQJXJEQHKYEO-UHFFFAOYSA-N 0 3 350.423 -0.943 20 0 FBADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748416 485263571 /nfs/dbraw/zinc/26/35/71/485263571.db2.gz VKCZZWWTVCLHAJ-GFCCVEGCSA-N 0 3 351.407 -0.469 20 0 FBADHN CC(C)C[C@H]1COCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748417 485263448 /nfs/dbraw/zinc/26/34/48/485263448.db2.gz VKCZZWWTVCLHAJ-LBPRGKRZSA-N 0 3 351.407 -0.469 20 0 FBADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748442 485263986 /nfs/dbraw/zinc/26/39/86/485263986.db2.gz WDPWYZZASHEJCT-GFCCVEGCSA-N 0 3 350.423 -0.944 20 0 FBADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748454 485263662 /nfs/dbraw/zinc/26/36/62/485263662.db2.gz WDPWYZZASHEJCT-LBPRGKRZSA-N 0 3 350.423 -0.944 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000659748466 485262780 /nfs/dbraw/zinc/26/27/80/485262780.db2.gz WLWQQOWJSNIJCL-CYBMUJFWSA-N 0 3 372.385 -0.668 20 0 FBADHN C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748580 485263306 /nfs/dbraw/zinc/26/33/06/485263306.db2.gz XXODRKOUUNYVPM-CMPLNLGQSA-N 0 3 351.407 -0.733 20 0 FBADHN C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748582 485263722 /nfs/dbraw/zinc/26/37/22/485263722.db2.gz XXODRKOUUNYVPM-JQWIXIFHSA-N 0 3 351.407 -0.733 20 0 FBADHN C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748583 485263485 /nfs/dbraw/zinc/26/34/85/485263485.db2.gz XXODRKOUUNYVPM-PWSUYJOCSA-N 0 3 351.407 -0.733 20 0 FBADHN C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748585 485262937 /nfs/dbraw/zinc/26/29/37/485262937.db2.gz XXODRKOUUNYVPM-ZYHUDNBSSA-N 0 3 351.407 -0.733 20 0 FBADHN C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748612 485263027 /nfs/dbraw/zinc/26/30/27/485263027.db2.gz KBZAPJHGRHSTCI-CMPLNLGQSA-N 0 3 351.407 -0.591 20 0 FBADHN C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748614 485264018 /nfs/dbraw/zinc/26/40/18/485264018.db2.gz KBZAPJHGRHSTCI-JQWIXIFHSA-N 0 3 351.407 -0.591 20 0 FBADHN C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748616 485263469 /nfs/dbraw/zinc/26/34/69/485263469.db2.gz KBZAPJHGRHSTCI-PWSUYJOCSA-N 0 3 351.407 -0.591 20 0 FBADHN C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748617 485263645 /nfs/dbraw/zinc/26/36/45/485263645.db2.gz KBZAPJHGRHSTCI-ZYHUDNBSSA-N 0 3 351.407 -0.591 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)n1 ZINC000659748639 485263375 /nfs/dbraw/zinc/26/33/75/485263375.db2.gz ZHBKFUHCWUBBBG-SECBINFHSA-N 0 3 359.333 -0.513 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@H](OC(F)F)C2)n1 ZINC000659748642 485263338 /nfs/dbraw/zinc/26/33/38/485263338.db2.gz ZHBKFUHCWUBBBG-VIFPVBQESA-N 0 3 359.333 -0.513 20 0 FBADHN CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1Cc2ccccc2C1 ZINC000659748643 485262791 /nfs/dbraw/zinc/26/27/91/485262791.db2.gz ZKOJDEVHABYYMJ-UHFFFAOYSA-N 0 3 355.398 -0.117 20 0 FBADHN COc1cccc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659748683 485263054 /nfs/dbraw/zinc/26/30/54/485263054.db2.gz KUJSCCJYKHLNPC-UHFFFAOYSA-N 0 3 359.386 -0.076 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCOc3ccccc3C2)n1 ZINC000659748688 485263708 /nfs/dbraw/zinc/26/37/08/485263708.db2.gz KXDFGSSLLMQPHL-UHFFFAOYSA-N 0 3 357.370 -0.322 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)n1 ZINC000659748709 485263747 /nfs/dbraw/zinc/26/37/47/485263747.db2.gz LOAVXHLVENITLK-CYBMUJFWSA-N 0 3 370.413 -0.257 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)n1 ZINC000659748710 485263390 /nfs/dbraw/zinc/26/33/90/485263390.db2.gz LOAVXHLVENITLK-ZDUSSCGKSA-N 0 3 370.413 -0.257 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCOC[C@H]2c2ccccc2)n1 ZINC000659748889 485265045 /nfs/dbraw/zinc/26/50/45/485265045.db2.gz OJYHKRYQZNSGLL-AWEZNQCLSA-N 0 3 371.397 -0.143 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCOC[C@@H]2c2ccccc2)n1 ZINC000659748890 485264827 /nfs/dbraw/zinc/26/48/27/485264827.db2.gz OJYHKRYQZNSGLL-CQSZACIVSA-N 0 3 371.397 -0.143 20 0 FBADHN CN(C)c1cccc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659748916 485264722 /nfs/dbraw/zinc/26/47/22/485264722.db2.gz PFRMPNXKZCGPIN-UHFFFAOYSA-N 0 3 372.429 -0.018 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCc3ccccc3CC2)n1 ZINC000659748917 485264915 /nfs/dbraw/zinc/26/49/15/485264915.db2.gz PFSFJFSFCXTJRT-UHFFFAOYSA-N 0 3 355.398 -0.116 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(C3CCCC3)CC2)n1 ZINC000659748918 485264749 /nfs/dbraw/zinc/26/47/49/485264749.db2.gz PFUUKNDHNSYPDB-UHFFFAOYSA-N 0 3 362.434 -0.656 20 0 FBADHN COCCN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CC[C@H](C)C1 ZINC000659749070 485264438 /nfs/dbraw/zinc/26/44/38/485264438.db2.gz RHGQJGLMQCSTPE-AAEUAGOBSA-N 0 3 365.434 -0.079 20 0 FBADHN COCCN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CC[C@@H](C)C1 ZINC000659749071 485264659 /nfs/dbraw/zinc/26/46/59/485264659.db2.gz RHGQJGLMQCSTPE-DGCLKSJQSA-N 0 3 365.434 -0.079 20 0 FBADHN COCCN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CC[C@H](C)C1 ZINC000659749072 485264839 /nfs/dbraw/zinc/26/48/39/485264839.db2.gz RHGQJGLMQCSTPE-WCQYABFASA-N 0 3 365.434 -0.079 20 0 FBADHN COCCN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CC[C@@H](C)C1 ZINC000659749073 485264957 /nfs/dbraw/zinc/26/49/57/485264957.db2.gz RHGQJGLMQCSTPE-YPMHNXCESA-N 0 3 365.434 -0.079 20 0 FBADHN CC(C)(C)CN(CCCO)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749087 485264547 /nfs/dbraw/zinc/26/45/47/485264547.db2.gz RPVOTDHVYTVDEQ-UHFFFAOYSA-N 0 3 353.423 -0.486 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCN(Cc3ccco3)CC2)n1 ZINC000659749330 485264861 /nfs/dbraw/zinc/26/48/61/485264861.db2.gz VYEAHCPOQARSOK-UHFFFAOYSA-N 0 3 374.401 -0.806 20 0 FBADHN COc1ccc2c(c1)CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)CC2 ZINC000659749347 485264516 /nfs/dbraw/zinc/26/45/16/485264516.db2.gz WFOWWTNJHMAAKR-UHFFFAOYSA-N 0 3 371.397 -0.149 20 0 FBADHN CCC[C@@]1(CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749369 485264556 /nfs/dbraw/zinc/26/45/56/485264556.db2.gz WVMUKQNFNDREGH-INIZCTEOSA-N 0 3 351.407 -0.589 20 0 FBADHN CCC[C@]1(CO)CCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749371 485264538 /nfs/dbraw/zinc/26/45/38/485264538.db2.gz WVMUKQNFNDREGH-MRXNPFEDSA-N 0 3 351.407 -0.589 20 0 FBADHN CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749373 485264333 /nfs/dbraw/zinc/26/43/33/485264333.db2.gz WVOVGIZLZHIZAF-UHFFFAOYSA-N 0 3 373.369 -0.356 20 0 FBADHN CC(C)[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1C ZINC000659749558 485264762 /nfs/dbraw/zinc/26/47/62/485264762.db2.gz ZBJZCHDJAPUJRT-GFCCVEGCSA-N 0 3 350.423 -0.944 20 0 FBADHN CC(C)[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCN1C ZINC000659749559 485265036 /nfs/dbraw/zinc/26/50/36/485265036.db2.gz ZBJZCHDJAPUJRT-LBPRGKRZSA-N 0 3 350.423 -0.944 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCOCC3(CCCC3)C2)n1 ZINC000659749597 485264372 /nfs/dbraw/zinc/26/43/72/485264372.db2.gz ZGMAYPKZVUAWDZ-UHFFFAOYSA-N 0 3 363.418 -0.324 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N(CCCO)Cc2ccccc2)n1 ZINC000659749609 485264667 /nfs/dbraw/zinc/26/46/67/485264667.db2.gz ZLPXECWEFGEVSU-UHFFFAOYSA-N 0 3 373.413 -0.332 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)[C@H]1C ZINC000659770520 485265419 /nfs/dbraw/zinc/26/54/19/485265419.db2.gz ZRZDPINBROHUNH-HRCADAONSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)[C@H]1C ZINC000659770522 485265363 /nfs/dbraw/zinc/26/53/63/485265363.db2.gz ZRZDPINBROHUNH-JYJNAYRXSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659770525 485265829 /nfs/dbraw/zinc/26/58/29/485265829.db2.gz ZRZDPINBROHUNH-OWCLPIDISA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659770528 485265973 /nfs/dbraw/zinc/26/59/73/485265973.db2.gz ZRZDPINBROHUNH-PMPSAXMXSA-N 0 3 352.479 -0.139 20 0 FBADHN CCN(CC(C)(C)O)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659780792 485151778 /nfs/dbraw/zinc/15/17/78/485151778.db2.gz RWVYHYYXKMGAIY-HNNXBMFYSA-N 0 3 354.495 -0.156 20 0 FBADHN CCN(CC(C)(C)O)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659780793 485151734 /nfs/dbraw/zinc/15/17/34/485151734.db2.gz RWVYHYYXKMGAIY-OAHLLOKOSA-N 0 3 354.495 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000659780873 485266360 /nfs/dbraw/zinc/26/63/60/485266360.db2.gz CGWPXXJWMWTTJP-LTIDMASMSA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000659780875 485266434 /nfs/dbraw/zinc/26/64/34/485266434.db2.gz CGWPXXJWMWTTJP-NCOADZHNSA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000659780876 485266946 /nfs/dbraw/zinc/26/69/46/485266946.db2.gz CGWPXXJWMWTTJP-QZWWFDLISA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@H]1N1CCOCC1 ZINC000659780878 485266663 /nfs/dbraw/zinc/26/66/63/485266663.db2.gz CGWPXXJWMWTTJP-WCXIOVBPSA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000659780937 485266815 /nfs/dbraw/zinc/26/68/15/485266815.db2.gz GBWDFNOOXNOTKD-BRWVUGGUSA-N 0 3 364.490 -0.138 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000659780939 485266892 /nfs/dbraw/zinc/26/68/92/485266892.db2.gz GBWDFNOOXNOTKD-IKGGRYGDSA-N 0 3 364.490 -0.138 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000659780941 485267075 /nfs/dbraw/zinc/26/70/75/485267075.db2.gz GBWDFNOOXNOTKD-IXDOHACOSA-N 0 3 364.490 -0.138 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000659780943 485267059 /nfs/dbraw/zinc/26/70/59/485267059.db2.gz GBWDFNOOXNOTKD-ZACQAIPSSA-N 0 3 364.490 -0.138 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000659781103 485266901 /nfs/dbraw/zinc/26/69/01/485266901.db2.gz UQOLGHATEWANNP-BPLDGKMQSA-N 0 3 363.462 -0.256 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000659781104 485266742 /nfs/dbraw/zinc/26/67/42/485266742.db2.gz UQOLGHATEWANNP-SNPRPXQTSA-N 0 3 363.462 -0.256 20 0 FBADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000659781105 485266883 /nfs/dbraw/zinc/26/68/83/485266883.db2.gz UQOLGHATEWANNP-VHDGCEQUSA-N 0 3 363.462 -0.256 20 0 FBADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000659781106 485266845 /nfs/dbraw/zinc/26/68/45/485266845.db2.gz UQOLGHATEWANNP-YUELXQCFSA-N 0 3 363.462 -0.256 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C[C@@H]21 ZINC000659816546 485269021 /nfs/dbraw/zinc/26/90/21/485269021.db2.gz RAAISOMHKXOHQV-PMPSAXMXSA-N 0 3 350.463 -0.528 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@H]1N(C)C ZINC000659816586 485269030 /nfs/dbraw/zinc/26/90/30/485269030.db2.gz VSGQXULPVSWUBQ-HRCADAONSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@@H]1N(C)C ZINC000659816588 485268956 /nfs/dbraw/zinc/26/89/56/485268956.db2.gz VSGQXULPVSWUBQ-JYJNAYRXSA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@H]1N(C)C ZINC000659816590 485269178 /nfs/dbraw/zinc/26/91/78/485269178.db2.gz VSGQXULPVSWUBQ-OWCLPIDISA-N 0 3 352.479 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@@H]1N(C)C ZINC000659816591 485268483 /nfs/dbraw/zinc/26/84/83/485268483.db2.gz VSGQXULPVSWUBQ-PMPSAXMXSA-N 0 3 352.479 -0.282 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3C(C)(C)O)CC2)C1 ZINC000659833542 485268708 /nfs/dbraw/zinc/26/87/08/485268708.db2.gz JNGAHLZDECNNAY-CVEARBPZSA-N 0 3 366.506 -0.013 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3C(C)(C)O)CC2)C1 ZINC000659833546 485268564 /nfs/dbraw/zinc/26/85/64/485268564.db2.gz JNGAHLZDECNNAY-HOTGVXAUSA-N 0 3 366.506 -0.013 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C(C)(C)O)CC2)C1 ZINC000659833549 485268327 /nfs/dbraw/zinc/26/83/27/485268327.db2.gz JNGAHLZDECNNAY-HZPDHXFCSA-N 0 3 366.506 -0.013 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C(C)(C)O)CC2)C1 ZINC000659833551 485268443 /nfs/dbraw/zinc/26/84/43/485268443.db2.gz JNGAHLZDECNNAY-JKSUJKDBSA-N 0 3 366.506 -0.013 20 0 FBADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000659840188 485269841 /nfs/dbraw/zinc/26/98/41/485269841.db2.gz IVZFTNMBDLPJFH-FXUDXRNXSA-N 0 3 350.463 -0.387 20 0 FBADHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000659840190 485269918 /nfs/dbraw/zinc/26/99/18/485269918.db2.gz IVZFTNMBDLPJFH-LVQVYYBASA-N 0 3 350.463 -0.387 20 0 FBADHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000659840193 485270564 /nfs/dbraw/zinc/27/05/64/485270564.db2.gz IVZFTNMBDLPJFH-XUWVNRHRSA-N 0 3 350.463 -0.387 20 0 FBADHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000659840195 485270028 /nfs/dbraw/zinc/27/00/28/485270028.db2.gz IVZFTNMBDLPJFH-YHUYYLMFSA-N 0 3 350.463 -0.387 20 0 FBADHN NS(=O)(=O)c1cc(CN2CCN(C(=O)CN3CCCC3)CC2)co1 ZINC000659877675 485269656 /nfs/dbraw/zinc/26/96/56/485269656.db2.gz JQTHOIMPWVLHMY-UHFFFAOYSA-N 0 3 356.448 -0.333 20 0 FBADHN CCN(CC)CC(=O)N1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000659880157 485269762 /nfs/dbraw/zinc/26/97/62/485269762.db2.gz ZMHQJNGVAZDLAZ-UHFFFAOYSA-N 0 3 358.464 -0.087 20 0 FBADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H](C)O1 ZINC000659898000 485270414 /nfs/dbraw/zinc/27/04/14/485270414.db2.gz ROGDBYIFLUJBOS-XUWVNRHRSA-N 0 3 352.479 -0.284 20 0 FBADHN Cn1cc(C(=O)NCC2CCN(CCN3C(=O)CN(C)C3=O)CC2)cn1 ZINC000659943993 485272506 /nfs/dbraw/zinc/27/25/06/485272506.db2.gz ZZYDARTZHCKVNK-UHFFFAOYSA-N 0 3 362.434 -0.244 20 0 FBADHN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659954271 485272602 /nfs/dbraw/zinc/27/26/02/485272602.db2.gz JMGYNODIJOKDNF-BBWFWOEESA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659954272 485272290 /nfs/dbraw/zinc/27/22/90/485272290.db2.gz JMGYNODIJOKDNF-GVDBMIGSSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659954274 485272342 /nfs/dbraw/zinc/27/23/42/485272342.db2.gz JMGYNODIJOKDNF-ULQDDVLXSA-N 0 3 366.506 -0.013 20 0 FBADHN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659954276 485272067 /nfs/dbraw/zinc/27/20/67/485272067.db2.gz JMGYNODIJOKDNF-YESZJQIVSA-N 0 3 366.506 -0.013 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000659976795 485273408 /nfs/dbraw/zinc/27/34/08/485273408.db2.gz ZGMPVEZTMFOAKN-AWEZNQCLSA-N 0 3 359.430 -0.191 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000659976816 485273342 /nfs/dbraw/zinc/27/33/42/485273342.db2.gz ZGMPVEZTMFOAKN-CQSZACIVSA-N 0 3 359.430 -0.191 20 0 FBADHN CNS(=O)(=O)c1ccc(CN(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000659995954 485274686 /nfs/dbraw/zinc/27/46/86/485274686.db2.gz CQWCYDWSSAHNAX-HNNXBMFYSA-N 0 3 357.476 -0.280 20 0 FBADHN CNS(=O)(=O)c1ccc(CN(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000659995956 485274321 /nfs/dbraw/zinc/27/43/21/485274321.db2.gz CQWCYDWSSAHNAX-OAHLLOKOSA-N 0 3 357.476 -0.280 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000660014148 485274417 /nfs/dbraw/zinc/27/44/17/485274417.db2.gz VRJIUXHHVVPKCA-CYBMUJFWSA-N 0 3 356.448 -0.335 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000660014149 485273955 /nfs/dbraw/zinc/27/39/55/485273955.db2.gz VRJIUXHHVVPKCA-ZDUSSCGKSA-N 0 3 356.448 -0.335 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C(=O)NCC1(C)C ZINC000660015167 484100242 /nfs/dbraw/zinc/10/02/42/484100242.db2.gz ZFHDXEPJDGWXDK-CYBMUJFWSA-N 0 3 357.480 -0.136 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C(=O)NCC1(C)C ZINC000660015168 484100254 /nfs/dbraw/zinc/10/02/54/484100254.db2.gz ZFHDXEPJDGWXDK-ZDUSSCGKSA-N 0 3 357.480 -0.136 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@]3(C)CO)CC2)C1 ZINC000660027382 485274596 /nfs/dbraw/zinc/27/45/96/485274596.db2.gz BDOWJSOVRVLHBV-CRAIPNDOSA-N 0 3 352.479 -0.402 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@]3(C)CO)CC2)C1 ZINC000660027384 485274165 /nfs/dbraw/zinc/27/41/65/485274165.db2.gz BDOWJSOVRVLHBV-MAUKXSAKSA-N 0 3 352.479 -0.402 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@]3(C)CO)CC2)C1 ZINC000660027386 485274621 /nfs/dbraw/zinc/27/46/21/485274621.db2.gz BDOWJSOVRVLHBV-QAPCUYQASA-N 0 3 352.479 -0.402 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@]3(C)CO)CC2)C1 ZINC000660027388 485274109 /nfs/dbraw/zinc/27/41/09/485274109.db2.gz BDOWJSOVRVLHBV-YJBOKZPZSA-N 0 3 352.479 -0.402 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)[C@@H]1CO ZINC000660056251 485275397 /nfs/dbraw/zinc/27/53/97/485275397.db2.gz MNCDWPKIIONERV-BZUAXINKSA-N 0 3 352.479 -0.546 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)[C@H]1CO ZINC000660056252 485275470 /nfs/dbraw/zinc/27/54/70/485275470.db2.gz MNCDWPKIIONERV-OAGGEKHMSA-N 0 3 352.479 -0.546 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)[C@@H]1CO ZINC000660056253 485275442 /nfs/dbraw/zinc/27/54/42/485275442.db2.gz MNCDWPKIIONERV-OWCLPIDISA-N 0 3 352.479 -0.546 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)[C@H]1CO ZINC000660056254 485275180 /nfs/dbraw/zinc/27/51/80/485275180.db2.gz MNCDWPKIIONERV-PMPSAXMXSA-N 0 3 352.479 -0.546 20 0 FBADHN CN1CC(=O)N(CCN2CCC(CC(=O)N3CCN(C)CC3)CC2)C1=O ZINC000660071911 485275341 /nfs/dbraw/zinc/27/53/41/485275341.db2.gz PFOIFNKKSKUTJJ-UHFFFAOYSA-N 0 3 365.478 -0.244 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1C(N)=O ZINC000660089737 485277093 /nfs/dbraw/zinc/27/70/93/485277093.db2.gz DTJAFGJZVJOTJZ-GFCCVEGCSA-N 0 3 356.448 -0.656 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1C(N)=O ZINC000660089739 485276503 /nfs/dbraw/zinc/27/65/03/485276503.db2.gz DTJAFGJZVJOTJZ-LBPRGKRZSA-N 0 3 356.448 -0.656 20 0 FBADHN O=S(=O)(c1cnn2c1OCCC2)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660090506 485277140 /nfs/dbraw/zinc/27/71/40/485277140.db2.gz JDWSNPKNXYEFKX-CYBMUJFWSA-N 0 3 356.448 -0.115 20 0 FBADHN O=S(=O)(c1cnn2c1OCCC2)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660090507 485276924 /nfs/dbraw/zinc/27/69/24/485276924.db2.gz JDWSNPKNXYEFKX-ZDUSSCGKSA-N 0 3 356.448 -0.115 20 0 FBADHN O=S(=O)(CCCN1CCOCC1)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660091027 485277051 /nfs/dbraw/zinc/27/70/51/485277051.db2.gz MSVMRAWEIRYZFB-INIZCTEOSA-N 0 3 361.508 -0.431 20 0 FBADHN O=S(=O)(CCCN1CCOCC1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660091028 485276316 /nfs/dbraw/zinc/27/63/16/485276316.db2.gz MSVMRAWEIRYZFB-MRXNPFEDSA-N 0 3 361.508 -0.431 20 0 FBADHN CNC(=O)c1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cn1C ZINC000660091491 485276880 /nfs/dbraw/zinc/27/68/80/485276880.db2.gz OOCPNBVPCJSHPB-CYBMUJFWSA-N 0 3 370.475 -0.396 20 0 FBADHN CNC(=O)c1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cn1C ZINC000660091501 485276461 /nfs/dbraw/zinc/27/64/61/485276461.db2.gz OOCPNBVPCJSHPB-ZDUSSCGKSA-N 0 3 370.475 -0.396 20 0 FBADHN COCCN(CCOC)S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660093151 485277161 /nfs/dbraw/zinc/27/71/61/485277161.db2.gz WLDXHHHORWWWOU-HNNXBMFYSA-N 0 3 365.496 -0.643 20 0 FBADHN COCCN(CCOC)S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660093154 485276653 /nfs/dbraw/zinc/27/66/53/485276653.db2.gz WLDXHHHORWWWOU-OAHLLOKOSA-N 0 3 365.496 -0.643 20 0 FBADHN COCCn1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cn1 ZINC000660093470 485276339 /nfs/dbraw/zinc/27/63/39/485276339.db2.gz XBEMSWRBVWKSEW-AWEZNQCLSA-N 0 3 358.464 -0.251 20 0 FBADHN COCCn1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cn1 ZINC000660093473 485276476 /nfs/dbraw/zinc/27/64/76/485276476.db2.gz XBEMSWRBVWKSEW-CQSZACIVSA-N 0 3 358.464 -0.251 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000660098346 485276533 /nfs/dbraw/zinc/27/65/33/485276533.db2.gz WYYXPEJHCVAVCE-CABCVRRESA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000660098348 485276993 /nfs/dbraw/zinc/27/69/93/485276993.db2.gz WYYXPEJHCVAVCE-GJZGRUSLSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000660098349 485276592 /nfs/dbraw/zinc/27/65/92/485276592.db2.gz WYYXPEJHCVAVCE-HUUCEWRRSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000660098350 485276981 /nfs/dbraw/zinc/27/69/81/485276981.db2.gz WYYXPEJHCVAVCE-LSDHHAIUSA-N 0 3 366.462 -0.611 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660105755 485277103 /nfs/dbraw/zinc/27/71/03/485277103.db2.gz KCUQXJRMHRTBPR-HNNXBMFYSA-N 0 3 366.462 -0.610 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660105757 485276347 /nfs/dbraw/zinc/27/63/47/485276347.db2.gz KCUQXJRMHRTBPR-OAHLLOKOSA-N 0 3 366.462 -0.610 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCOC[C@@H]2C)CC1 ZINC000660107025 485277931 /nfs/dbraw/zinc/27/79/31/485277931.db2.gz XORBTONWIJPSNZ-HNNXBMFYSA-N 0 3 368.478 -0.364 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCOC[C@H]2C)CC1 ZINC000660107026 485278167 /nfs/dbraw/zinc/27/81/67/485278167.db2.gz XORBTONWIJPSNZ-OAHLLOKOSA-N 0 3 368.478 -0.364 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660107416 485277375 /nfs/dbraw/zinc/27/73/75/485277375.db2.gz ZFHMESYESLPTJP-CVEARBPZSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660107418 485277989 /nfs/dbraw/zinc/27/79/89/485277989.db2.gz ZFHMESYESLPTJP-HOTGVXAUSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660107419 485277886 /nfs/dbraw/zinc/27/78/86/485277886.db2.gz ZFHMESYESLPTJP-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660107420 485277718 /nfs/dbraw/zinc/27/77/18/485277718.db2.gz ZFHMESYESLPTJP-JKSUJKDBSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@@H]1C[C@H](C)CN(CCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)C1 ZINC000660120852 485277979 /nfs/dbraw/zinc/27/79/79/485277979.db2.gz OPJPIZVBVJMWDI-TWMKSMIVSA-N 0 3 359.536 -0.260 20 0 FBADHN C[C@@H]1C[C@H](C)CN(CCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)C1 ZINC000660120853 485278005 /nfs/dbraw/zinc/27/80/05/485278005.db2.gz OPJPIZVBVJMWDI-VVLHAWIVSA-N 0 3 359.536 -0.260 20 0 FBADHN C[C@@H]1C[C@H](C)CN(CCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)C1 ZINC000660120854 485278048 /nfs/dbraw/zinc/27/80/48/485278048.db2.gz OPJPIZVBVJMWDI-YVSFHVDLSA-N 0 3 359.536 -0.260 20 0 FBADHN C[C@@H]1C[C@H](C)CN(CCN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)C1 ZINC000660120855 485277838 /nfs/dbraw/zinc/27/78/38/485277838.db2.gz OPJPIZVBVJMWDI-YYIAUSFCSA-N 0 3 359.536 -0.260 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCN(CC2CC2)C1 ZINC000660177858 485279065 /nfs/dbraw/zinc/27/90/65/485279065.db2.gz DZKCIFOUADPWTC-AWEZNQCLSA-N 0 3 367.537 -0.033 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCN(CC2CC2)C1 ZINC000660177860 485279241 /nfs/dbraw/zinc/27/92/41/485279241.db2.gz DZKCIFOUADPWTC-CQSZACIVSA-N 0 3 367.537 -0.033 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H](C)C1=O ZINC000660201687 485280114 /nfs/dbraw/zinc/28/01/14/485280114.db2.gz OAWKDERESBBTNH-QLFBSQMISA-N 0 3 350.463 -0.136 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H](C)C1=O ZINC000660201689 485280315 /nfs/dbraw/zinc/28/03/15/485280315.db2.gz OAWKDERESBBTNH-SOUVJXGZSA-N 0 3 350.463 -0.136 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000660208328 485280685 /nfs/dbraw/zinc/28/06/85/485280685.db2.gz SXLYVNRBWXWGPQ-HNNXBMFYSA-N 0 3 374.445 -0.941 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000660208329 485280645 /nfs/dbraw/zinc/28/06/45/485280645.db2.gz SXLYVNRBWXWGPQ-OAHLLOKOSA-N 0 3 374.445 -0.941 20 0 FBADHN CC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660215201 485280014 /nfs/dbraw/zinc/28/00/14/485280014.db2.gz FDZVJTIHPBIGCG-APWZRJJASA-N 0 3 366.506 -0.012 20 0 FBADHN CC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660215202 485280140 /nfs/dbraw/zinc/28/01/40/485280140.db2.gz FDZVJTIHPBIGCG-LPHOPBHVSA-N 0 3 366.506 -0.012 20 0 FBADHN CC[C@]1(CO)CCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660215203 485280285 /nfs/dbraw/zinc/28/02/85/485280285.db2.gz FDZVJTIHPBIGCG-QFBILLFUSA-N 0 3 366.506 -0.012 20 0 FBADHN CC[C@]1(CO)CCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660215204 485280781 /nfs/dbraw/zinc/28/07/81/485280781.db2.gz FDZVJTIHPBIGCG-VQIMIIECSA-N 0 3 366.506 -0.012 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000660217145 485280200 /nfs/dbraw/zinc/28/02/00/485280200.db2.gz YZIFXMMJDFMSNN-UHFFFAOYSA-N 0 3 374.445 -0.939 20 0 FBADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660269639 484098184 /nfs/dbraw/zinc/09/81/84/484098184.db2.gz JVXSQLVAGHDFGJ-CABCVRRESA-N 0 3 354.495 -0.300 20 0 FBADHN 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ZINC000660270586 485282220 /nfs/dbraw/zinc/28/22/20/485282220.db2.gz DQYFGYYQJPOIQE-UGUYLWEFSA-N 0 3 352.479 -0.141 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H]1N1CCOCC1 ZINC000660270614 485281896 /nfs/dbraw/zinc/28/18/96/485281896.db2.gz JHSOGAWVRNEXIV-NCOADZHNSA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1N1CCOCC1 ZINC000660270616 485281944 /nfs/dbraw/zinc/28/19/44/485281944.db2.gz JHSOGAWVRNEXIV-VVLHAWIVSA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1N1CCOCC1 ZINC000660270618 485282536 /nfs/dbraw/zinc/28/25/36/485282536.db2.gz JHSOGAWVRNEXIV-WCXIOVBPSA-N 0 3 364.490 -0.139 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H]1N1CCOCC1 ZINC000660270619 485282162 /nfs/dbraw/zinc/28/21/62/485282162.db2.gz JHSOGAWVRNEXIV-YVSFHVDLSA-N 0 3 364.490 -0.139 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCN1C[C@H](C)O ZINC000660279033 485281383 /nfs/dbraw/zinc/28/13/83/485281383.db2.gz GEGRTUHQOAHPFA-HZMVEIRTSA-N 0 3 366.506 -0.015 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCN1C[C@H](C)O ZINC000660279035 485281525 /nfs/dbraw/zinc/28/15/25/485281525.db2.gz GEGRTUHQOAHPFA-NXOAAHMSSA-N 0 3 366.506 -0.015 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCN1C[C@@H](C)O ZINC000660279038 485282504 /nfs/dbraw/zinc/28/25/04/485282504.db2.gz GEGRTUHQOAHPFA-TWMKSMIVSA-N 0 3 366.506 -0.015 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCN1C[C@@H](C)O ZINC000660279040 485281286 /nfs/dbraw/zinc/28/12/86/485281286.db2.gz GEGRTUHQOAHPFA-VQHPVUNQSA-N 0 3 366.506 -0.015 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1C ZINC000660279123 485281655 /nfs/dbraw/zinc/28/16/55/485281655.db2.gz WDSVLUMUZWQADT-FPCVCCKLSA-N 0 3 352.479 -0.405 20 0 FBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H]1C ZINC000660279124 485281772 /nfs/dbraw/zinc/28/17/72/485281772.db2.gz WDSVLUMUZWQADT-JJXSEGSLSA-N 0 3 352.479 -0.405 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H]1C ZINC000660279125 485282467 /nfs/dbraw/zinc/28/24/67/485282467.db2.gz WDSVLUMUZWQADT-JONQDZQNSA-N 0 3 352.479 -0.405 20 0 FBADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1C ZINC000660279126 485282112 /nfs/dbraw/zinc/28/21/12/485282112.db2.gz WDSVLUMUZWQADT-QXSJWSMHSA-N 0 3 352.479 -0.405 20 0 FBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)CCO1 ZINC000660280475 485281606 /nfs/dbraw/zinc/28/16/06/485281606.db2.gz CXFRMRBFATTYHB-ILXRZTDVSA-N 0 3 366.462 -0.567 20 0 FBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)CCO1 ZINC000660280477 485281408 /nfs/dbraw/zinc/28/14/08/485281408.db2.gz CXFRMRBFATTYHB-QLFBSQMISA-N 0 3 366.462 -0.567 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC000660293931 485281428 /nfs/dbraw/zinc/28/14/28/485281428.db2.gz DQTOZNVDEVUDDE-HNNXBMFYSA-N 0 3 362.430 -0.032 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC000660293932 485281535 /nfs/dbraw/zinc/28/15/35/485281535.db2.gz DQTOZNVDEVUDDE-OAHLLOKOSA-N 0 3 362.430 -0.032 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)C[C@@H]21 ZINC000660302043 485283792 /nfs/dbraw/zinc/28/37/92/485283792.db2.gz NGQWBWVFGDAYEX-OCCSQVGLSA-N 0 3 362.409 -0.573 20 0 FBADHN CN1CCC2(CCCN2C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000660316571 485283612 /nfs/dbraw/zinc/28/36/12/485283612.db2.gz FFFMCFXSIFHRJV-UHFFFAOYSA-N 0 3 366.506 -0.012 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@H](C)N1CCO ZINC000660316617 485283104 /nfs/dbraw/zinc/28/31/04/485283104.db2.gz LTWLVPPCOQGJIE-IYBDPMFKSA-N 0 3 366.506 -0.013 20 0 FBADHN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000660316637 485282904 /nfs/dbraw/zinc/28/29/04/485282904.db2.gz QZBAVXKDXOOVSS-INIZCTEOSA-N 0 3 366.506 -0.012 20 0 FBADHN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000660316638 485282920 /nfs/dbraw/zinc/28/29/20/485282920.db2.gz QZBAVXKDXOOVSS-MRXNPFEDSA-N 0 3 366.506 -0.012 20 0 FBADHN COCCN1CCN(C(=O)C(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000660338994 485283525 /nfs/dbraw/zinc/28/35/25/485283525.db2.gz OCDPYVIUFIOSIG-UHFFFAOYSA-N 0 3 352.479 -0.136 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCN1C ZINC000660349010 485283748 /nfs/dbraw/zinc/28/37/48/485283748.db2.gz OFIAUUSECAOUKZ-CABCVRRESA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCN1C ZINC000660349029 485283845 /nfs/dbraw/zinc/28/38/45/485283845.db2.gz OFIAUUSECAOUKZ-GJZGRUSLSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCN1C ZINC000660349032 485282956 /nfs/dbraw/zinc/28/29/56/485282956.db2.gz OFIAUUSECAOUKZ-HUUCEWRRSA-N 0 3 354.495 -0.157 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCN1C ZINC000660349038 485283669 /nfs/dbraw/zinc/28/36/69/485283669.db2.gz OFIAUUSECAOUKZ-LSDHHAIUSA-N 0 3 354.495 -0.157 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCOC[C@@H]3C3CC3)CC2)C1 ZINC000660363744 485284417 /nfs/dbraw/zinc/28/44/17/485284417.db2.gz BPRXTMADRQZDNH-DLBZAZTESA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCOC[C@@H]3C3CC3)CC2)C1 ZINC000660363748 485284646 /nfs/dbraw/zinc/28/46/46/485284646.db2.gz BPRXTMADRQZDNH-IAGOWNOFSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCOC[C@H]3C3CC3)CC2)C1 ZINC000660363750 485285097 /nfs/dbraw/zinc/28/50/97/485285097.db2.gz BPRXTMADRQZDNH-IRXDYDNUSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCOC[C@H]3C3CC3)CC2)C1 ZINC000660363753 485284331 /nfs/dbraw/zinc/28/43/31/485284331.db2.gz BPRXTMADRQZDNH-SJORKVTESA-N 0 3 364.490 -0.138 20 0 FBADHN O=C(CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)N1CCOCC1 ZINC000660379955 485284344 /nfs/dbraw/zinc/28/43/44/485284344.db2.gz WMMYENIDXRCRIZ-HNNXBMFYSA-N 0 3 354.451 -0.212 20 0 FBADHN O=C(CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000660379956 485284354 /nfs/dbraw/zinc/28/43/54/485284354.db2.gz WMMYENIDXRCRIZ-OAHLLOKOSA-N 0 3 354.451 -0.212 20 0 FBADHN CN(CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1)S(C)(=O)=O ZINC000660417254 484482916 /nfs/dbraw/zinc/48/29/16/484482916.db2.gz VVIYXOZAFVRVPG-AWEZNQCLSA-N 0 3 362.496 -0.180 20 0 FBADHN CN(CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)S(C)(=O)=O ZINC000660417255 484483315 /nfs/dbraw/zinc/48/33/15/484483315.db2.gz VVIYXOZAFVRVPG-CQSZACIVSA-N 0 3 362.496 -0.180 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660468943 485286471 /nfs/dbraw/zinc/28/64/71/485286471.db2.gz IKSUGUOODRKTHZ-CABCVRRESA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660468944 485286952 /nfs/dbraw/zinc/28/69/52/485286952.db2.gz IKSUGUOODRKTHZ-GJZGRUSLSA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660468945 485286915 /nfs/dbraw/zinc/28/69/15/485286915.db2.gz IKSUGUOODRKTHZ-HUUCEWRRSA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660469246 485286543 /nfs/dbraw/zinc/28/65/43/485286543.db2.gz IKSUGUOODRKTHZ-LSDHHAIUSA-N 0 3 374.507 -0.037 20 0 FBADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C1 ZINC000660470366 485287348 /nfs/dbraw/zinc/28/73/48/485287348.db2.gz OPVOMWBRCQDUOK-BBWFWOEESA-N 0 3 361.442 -0.469 20 0 FBADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)C1 ZINC000660470368 485286480 /nfs/dbraw/zinc/28/64/80/485286480.db2.gz OPVOMWBRCQDUOK-BRWVUGGUSA-N 0 3 361.442 -0.469 20 0 FBADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)C1 ZINC000660470369 485286619 /nfs/dbraw/zinc/28/66/19/485286619.db2.gz OPVOMWBRCQDUOK-GVDBMIGSSA-N 0 3 361.442 -0.469 20 0 FBADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C1 ZINC000660470370 485287394 /nfs/dbraw/zinc/28/73/94/485287394.db2.gz OPVOMWBRCQDUOK-ZACQAIPSSA-N 0 3 361.442 -0.469 20 0 FBADHN Cn1cc(S(=O)(=O)NCCN2CCC[C@H](N3CCOCC3)CC2)cn1 ZINC000660473332 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/nfs/dbraw/zinc/31/39/65/485313965.db2.gz PPEYJUJJQWJQNZ-WBVHZDCISA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000661403482 485314100 /nfs/dbraw/zinc/31/41/00/485314100.db2.gz QVMWAAWPPKAICO-BBWFWOEESA-N 0 3 364.490 -0.280 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000661403483 485314066 /nfs/dbraw/zinc/31/40/66/485314066.db2.gz QVMWAAWPPKAICO-BRWVUGGUSA-N 0 3 364.490 -0.280 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000661403484 485314505 /nfs/dbraw/zinc/31/45/05/485314505.db2.gz QVMWAAWPPKAICO-GVDBMIGSSA-N 0 3 364.490 -0.280 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC000661403486 485314720 /nfs/dbraw/zinc/31/47/20/485314720.db2.gz QVMWAAWPPKAICO-ZACQAIPSSA-N 0 3 364.490 -0.280 20 0 FBADHN C[C@H](CO)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000661432104 485313869 /nfs/dbraw/zinc/31/38/69/485313869.db2.gz HGMHRPOYSFPNGN-CVEARBPZSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@@H](CO)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000661432105 484333914 /nfs/dbraw/zinc/33/39/14/484333914.db2.gz HGMHRPOYSFPNGN-HOTGVXAUSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H](CO)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000661432106 484332846 /nfs/dbraw/zinc/33/28/46/484332846.db2.gz HGMHRPOYSFPNGN-HZPDHXFCSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000661432107 484333017 /nfs/dbraw/zinc/33/30/17/484333017.db2.gz HGMHRPOYSFPNGN-JKSUJKDBSA-N 0 3 354.495 -0.298 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCOCC4(CC4)C3)CC2)C1 ZINC000661450323 485313927 /nfs/dbraw/zinc/31/39/27/485313927.db2.gz SIDMIPILFYCHBW-INIZCTEOSA-N 0 3 364.490 -0.136 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCOCC4(CC4)C3)CC2)C1 ZINC000661450324 485313934 /nfs/dbraw/zinc/31/39/34/485313934.db2.gz SIDMIPILFYCHBW-MRXNPFEDSA-N 0 3 364.490 -0.136 20 0 FBADHN CO[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCOC1 ZINC000661459238 485315245 /nfs/dbraw/zinc/31/52/45/485315245.db2.gz UTJFURJHKXAFCL-CVEARBPZSA-N 0 3 368.478 -0.013 20 0 FBADHN CO[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCOC1 ZINC000661459241 485315539 /nfs/dbraw/zinc/31/55/39/485315539.db2.gz UTJFURJHKXAFCL-HOTGVXAUSA-N 0 3 368.478 -0.013 20 0 FBADHN CO[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCOC1 ZINC000661459243 485315627 /nfs/dbraw/zinc/31/56/27/485315627.db2.gz UTJFURJHKXAFCL-HZPDHXFCSA-N 0 3 368.478 -0.013 20 0 FBADHN CO[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCOC1 ZINC000661459245 485315511 /nfs/dbraw/zinc/31/55/11/485315511.db2.gz UTJFURJHKXAFCL-JKSUJKDBSA-N 0 3 368.478 -0.013 20 0 FBADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)C[C@@H](C)O2 ZINC000661470118 485315157 /nfs/dbraw/zinc/31/51/57/485315157.db2.gz CPFDKCHNZISXMR-NSIVTLKISA-N 0 3 351.447 -0.056 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)C[C@@H](C)O2 ZINC000661470119 485314940 /nfs/dbraw/zinc/31/49/40/485314940.db2.gz CPFDKCHNZISXMR-SUKQMUEJSA-N 0 3 351.447 -0.056 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)C[C@@H](C)O2 ZINC000661470120 485314904 /nfs/dbraw/zinc/31/49/04/485314904.db2.gz CPFDKCHNZISXMR-VAVSNJLASA-N 0 3 351.447 -0.056 20 0 FBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)C[C@@H](C)O2 ZINC000661470121 485315361 /nfs/dbraw/zinc/31/53/61/485315361.db2.gz CPFDKCHNZISXMR-VPKNTQAGSA-N 0 3 351.447 -0.056 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000661471670 485314889 /nfs/dbraw/zinc/31/48/89/485314889.db2.gz HDLAQTLNYPNVTM-CYBMUJFWSA-N 0 3 374.507 -0.037 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000661471671 485314974 /nfs/dbraw/zinc/31/49/74/485314974.db2.gz HDLAQTLNYPNVTM-ZDUSSCGKSA-N 0 3 374.507 -0.037 20 0 FBADHN CN(C)CCN1CCN(C(=O)NCCC2(CS(C)(=O)=O)CC2)CC1=O ZINC000661472797 484404557 /nfs/dbraw/zinc/40/45/57/484404557.db2.gz ZQCXOGASCJUXQI-UHFFFAOYSA-N 0 3 374.507 -0.383 20 0 FBADHN O=C(C(=O)N1CCOCC2(CCOCC2)C1)N1CCN2CCC[C@H]2C1 ZINC000661481615 484409880 /nfs/dbraw/zinc/40/98/80/484409880.db2.gz QOWMRFLLNUTNAE-HNNXBMFYSA-N 0 3 351.447 -0.051 20 0 FBADHN O=C(C(=O)N1CCOCC2(CCOCC2)C1)N1CCN2CCC[C@@H]2C1 ZINC000661481618 484409895 /nfs/dbraw/zinc/40/98/95/484409895.db2.gz QOWMRFLLNUTNAE-OAHLLOKOSA-N 0 3 351.447 -0.051 20 0 FBADHN COC[C@H](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC000661482314 485315529 /nfs/dbraw/zinc/31/55/29/485315529.db2.gz KHKIGBIFJAIUGB-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN COC[C@@H](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC000661482315 485315445 /nfs/dbraw/zinc/31/54/45/485315445.db2.gz KHKIGBIFJAIUGB-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1CCO ZINC000661492246 484415944 /nfs/dbraw/zinc/41/59/44/484415944.db2.gz YBAPSHUTIGVYBC-CVEARBPZSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1CCO ZINC000661492251 484415822 /nfs/dbraw/zinc/41/58/22/484415822.db2.gz YBAPSHUTIGVYBC-HOTGVXAUSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CCO ZINC000661492253 484416315 /nfs/dbraw/zinc/41/63/15/484416315.db2.gz YBAPSHUTIGVYBC-HZPDHXFCSA-N 0 3 354.495 -0.298 20 0 FBADHN C[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CCO ZINC000661492255 484416272 /nfs/dbraw/zinc/41/62/72/484416272.db2.gz YBAPSHUTIGVYBC-JKSUJKDBSA-N 0 3 354.495 -0.298 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2C[C@]3(C)COC[C@]3(C)C2)CC1 ZINC000661503297 485316599 /nfs/dbraw/zinc/31/65/99/485316599.db2.gz XQPQWMIIOPKNLH-HDICACEKSA-N 0 3 352.479 -0.423 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000661506646 485315932 /nfs/dbraw/zinc/31/59/32/485315932.db2.gz HBSLPBILPHNCBJ-CYBMUJFWSA-N 0 3 361.512 -0.007 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000661506649 485316373 /nfs/dbraw/zinc/31/63/73/485316373.db2.gz HBSLPBILPHNCBJ-ZDUSSCGKSA-N 0 3 361.512 -0.007 20 0 FBADHN CC(C)(C)N1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000661507029 485316577 /nfs/dbraw/zinc/31/65/77/485316577.db2.gz JBWBNCODZIMHIK-AWEZNQCLSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000661507031 485316766 /nfs/dbraw/zinc/31/67/66/485316766.db2.gz JBWBNCODZIMHIK-CQSZACIVSA-N 0 3 365.478 -0.008 20 0 FBADHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000661510003 484423899 /nfs/dbraw/zinc/42/38/99/484423899.db2.gz SBRHHYQNQIBURD-CYBMUJFWSA-N 0 3 361.512 -0.525 20 0 FBADHN CC(C)(C)N1CC[C@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000661510004 484424552 /nfs/dbraw/zinc/42/45/52/484424552.db2.gz SBRHHYQNQIBURD-ZDUSSCGKSA-N 0 3 361.512 -0.525 20 0 FBADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000661516517 485316726 /nfs/dbraw/zinc/31/67/26/485316726.db2.gz CYRVIXWDTNDXCS-DAYGRLMNSA-N 0 3 353.463 -0.071 20 0 FBADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000661516518 485316301 /nfs/dbraw/zinc/31/63/01/485316301.db2.gz CYRVIXWDTNDXCS-HDMKZQKVSA-N 0 3 353.463 -0.071 20 0 FBADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000661516519 485316096 /nfs/dbraw/zinc/31/60/96/485316096.db2.gz CYRVIXWDTNDXCS-MPGHIAIKSA-N 0 3 353.463 -0.071 20 0 FBADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000661516520 485316750 /nfs/dbraw/zinc/31/67/50/485316750.db2.gz CYRVIXWDTNDXCS-RLFYNMQTSA-N 0 3 353.463 -0.071 20 0 FBADHN C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000661518240 485316347 /nfs/dbraw/zinc/31/63/47/485316347.db2.gz ZHITYGOCKVWESE-GDBMZVCRSA-N 0 3 362.430 -0.272 20 0 FBADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000661518242 485316629 /nfs/dbraw/zinc/31/66/29/485316629.db2.gz ZHITYGOCKVWESE-GOEBONIOSA-N 0 3 362.430 -0.272 20 0 FBADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000661518244 485315956 /nfs/dbraw/zinc/31/59/56/485315956.db2.gz ZHITYGOCKVWESE-HOCLYGCPSA-N 0 3 362.430 -0.272 20 0 FBADHN C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000661518246 485316794 /nfs/dbraw/zinc/31/67/94/485316794.db2.gz ZHITYGOCKVWESE-ZBFHGGJFSA-N 0 3 362.430 -0.272 20 0 FBADHN COC[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)C1CCOCC1 ZINC000661527773 485316781 /nfs/dbraw/zinc/31/67/81/485316781.db2.gz UBQMRAZHMWGPKX-HNNXBMFYSA-N 0 3 356.467 -0.157 20 0 FBADHN COC[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)C1CCOCC1 ZINC000661527774 485316533 /nfs/dbraw/zinc/31/65/33/485316533.db2.gz UBQMRAZHMWGPKX-OAHLLOKOSA-N 0 3 356.467 -0.157 20 0 FBADHN CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CCC1 ZINC000661568249 485317636 /nfs/dbraw/zinc/31/76/36/485317636.db2.gz UZEUAQFCKQOJCK-LSDHHAIUSA-N 0 3 352.479 -0.139 20 0 FBADHN CN(C)C1(CN(C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCC1 ZINC000661568251 485317686 /nfs/dbraw/zinc/31/76/86/485317686.db2.gz WUSJJRQPTPNWPP-UHFFFAOYSA-N 0 3 354.495 -0.156 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(OCCNC2(C(N)=O)CCOCC2)cc1 ZINC000661593813 485317544 /nfs/dbraw/zinc/31/75/44/485317544.db2.gz AKPAMIOFIQLLKH-UHFFFAOYSA-N 0 3 371.459 -0.060 20 0 FBADHN NC(=O)C1(NCCC(=O)N2CCN(c3ccccn3)CC2)CCOCC1 ZINC000661594389 485317334 /nfs/dbraw/zinc/31/73/34/485317334.db2.gz SUNFEEHQBBSGGK-UHFFFAOYSA-N 0 3 361.446 -0.256 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)CNC2(C(N)=O)CCOCC2)C1 ZINC000661594477 485317422 /nfs/dbraw/zinc/31/74/22/485317422.db2.gz OOFMWIIYBUHPPO-AWEZNQCLSA-N 0 3 356.467 -0.917 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CNC2(C(N)=O)CCOCC2)C1 ZINC000661594478 485317584 /nfs/dbraw/zinc/31/75/84/485317584.db2.gz OOFMWIIYBUHPPO-CQSZACIVSA-N 0 3 356.467 -0.917 20 0 FBADHN NC(=O)C1(NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCOCC1 ZINC000661594588 485317466 /nfs/dbraw/zinc/31/74/66/485317466.db2.gz XMWZSQCMMFAPGZ-CYBMUJFWSA-N 0 3 362.386 -0.512 20 0 FBADHN NC(=O)C1(NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CCOCC1 ZINC000661594589 485317574 /nfs/dbraw/zinc/31/75/74/485317574.db2.gz XMWZSQCMMFAPGZ-ZDUSSCGKSA-N 0 3 362.386 -0.512 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@H]3NC(=O)CC[C@@H]3C1)c(=O)n2C ZINC000661598206 485318968 /nfs/dbraw/zinc/31/89/68/485318968.db2.gz OPMLSGGUZMEJRA-CHWSQXEVSA-N 0 3 374.445 -0.576 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@@H]3NC(=O)CC[C@@H]3C1)c(=O)n2C ZINC000661598213 485318546 /nfs/dbraw/zinc/31/85/46/485318546.db2.gz OPMLSGGUZMEJRA-OLZOCXBDSA-N 0 3 374.445 -0.576 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@H]3NC(=O)CC[C@H]3C1)c(=O)n2C ZINC000661598218 485318292 /nfs/dbraw/zinc/31/82/92/485318292.db2.gz OPMLSGGUZMEJRA-QWHCGFSZSA-N 0 3 374.445 -0.576 20 0 FBADHN Cn1cnc2c1c(=O)n(CCCN1CC[C@@H]3NC(=O)CC[C@H]3C1)c(=O)n2C ZINC000661598223 485318644 /nfs/dbraw/zinc/31/86/44/485318644.db2.gz OPMLSGGUZMEJRA-STQMWFEESA-N 0 3 374.445 -0.576 20 0 FBADHN Cn1c2ncn(CCN3CC[C@@H]4NC(=O)CC[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000661600389 485318861 /nfs/dbraw/zinc/31/88/61/485318861.db2.gz YTHBDBFIQHHGKC-NEPJUHHUSA-N 0 3 360.418 -0.966 20 0 FBADHN Cn1c2ncn(CCN3CC[C@H]4NC(=O)CC[C@H]4C3)c2c(=O)n(C)c1=O ZINC000661600390 485318255 /nfs/dbraw/zinc/31/82/55/485318255.db2.gz YTHBDBFIQHHGKC-NWDGAFQWSA-N 0 3 360.418 -0.966 20 0 FBADHN Cn1c2ncn(CCN3CC[C@@H]4NC(=O)CC[C@H]4C3)c2c(=O)n(C)c1=O ZINC000661600391 485318297 /nfs/dbraw/zinc/31/82/97/485318297.db2.gz YTHBDBFIQHHGKC-RYUDHWBXSA-N 0 3 360.418 -0.966 20 0 FBADHN Cn1c2ncn(CCN3CC[C@H]4NC(=O)CC[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000661600392 485318187 /nfs/dbraw/zinc/31/81/87/485318187.db2.gz YTHBDBFIQHHGKC-VXGBXAGGSA-N 0 3 360.418 -0.966 20 0 FBADHN CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@@H]1COCCO1 ZINC000661607716 485318908 /nfs/dbraw/zinc/31/89/08/485318908.db2.gz FXRUFYINALVJGD-GFCCVEGCSA-N 0 3 351.407 -0.829 20 0 FBADHN CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@H]1COCCO1 ZINC000661607717 485318413 /nfs/dbraw/zinc/31/84/13/485318413.db2.gz FXRUFYINALVJGD-LBPRGKRZSA-N 0 3 351.407 -0.829 20 0 FBADHN C[C@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H](C)C1O ZINC000661621872 485318698 /nfs/dbraw/zinc/31/86/98/485318698.db2.gz FBUMRNFZOXVBGF-GJZGRUSLSA-N 0 3 368.522 -0.006 20 0 FBADHN 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CCCN1CC[C@H](NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000661954689 485326972 /nfs/dbraw/zinc/32/69/72/485326972.db2.gz NGDAUVPIVLGPGY-STQMWFEESA-N 0 3 360.480 -0.537 20 0 FBADHN CCCN1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000661955207 485326861 /nfs/dbraw/zinc/32/68/61/485326861.db2.gz CPYFLPIZWZQLLI-INIZCTEOSA-N 0 3 367.494 -0.343 20 0 FBADHN CCCN1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000661955208 485326131 /nfs/dbraw/zinc/32/61/31/485326131.db2.gz CPYFLPIZWZQLLI-MRXNPFEDSA-N 0 3 367.494 -0.343 20 0 FBADHN CCCN1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000661955480 485327012 /nfs/dbraw/zinc/32/70/12/485327012.db2.gz YWWYGPJFGSJHCI-INIZCTEOSA-N 0 3 367.494 -0.343 20 0 FBADHN CCCN1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000661955482 485326283 /nfs/dbraw/zinc/32/62/83/485326283.db2.gz YWWYGPJFGSJHCI-MRXNPFEDSA-N 0 3 367.494 -0.343 20 0 FBADHN CCCN1CC[C@H](NC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000661955737 485326228 /nfs/dbraw/zinc/32/62/28/485326228.db2.gz OVYFUHRNYIZMDT-KBPBESRZSA-N 0 3 374.507 -0.195 20 0 FBADHN CCCN1CC[C@@H](NC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000661955738 485326551 /nfs/dbraw/zinc/32/65/51/485326551.db2.gz OVYFUHRNYIZMDT-KGLIPLIRSA-N 0 3 374.507 -0.195 20 0 FBADHN CCCN1CC[C@H](NC(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661955739 485326398 /nfs/dbraw/zinc/32/63/98/485326398.db2.gz OVYFUHRNYIZMDT-UONOGXRCSA-N 0 3 374.507 -0.195 20 0 FBADHN CCCN1CC[C@@H](NC(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661955740 485326206 /nfs/dbraw/zinc/32/62/06/485326206.db2.gz OVYFUHRNYIZMDT-ZIAGYGMSSA-N 0 3 374.507 -0.195 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661973610 485326004 /nfs/dbraw/zinc/32/60/04/485326004.db2.gz RRYCIJRDZUNLBG-INIZCTEOSA-N 0 3 367.494 -0.297 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000661973622 485326423 /nfs/dbraw/zinc/32/64/23/485326423.db2.gz RRYCIJRDZUNLBG-MRXNPFEDSA-N 0 3 367.494 -0.297 20 0 FBADHN COCC(=O)N1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661974909 485326139 /nfs/dbraw/zinc/32/61/39/485326139.db2.gz IRSGESBMKAHTOI-HNNXBMFYSA-N 0 3 354.451 -0.260 20 0 FBADHN COCC(=O)N1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000661974910 485326158 /nfs/dbraw/zinc/32/61/58/485326158.db2.gz IRSGESBMKAHTOI-OAHLLOKOSA-N 0 3 354.451 -0.260 20 0 FBADHN CS(=O)(=O)N1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661974961 485325968 /nfs/dbraw/zinc/32/59/68/485325968.db2.gz JUVMSTSDMSSWDJ-HNNXBMFYSA-N 0 3 374.507 -0.083 20 0 FBADHN CS(=O)(=O)N1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000661974964 485326460 /nfs/dbraw/zinc/32/64/60/485326460.db2.gz JUVMSTSDMSSWDJ-OAHLLOKOSA-N 0 3 374.507 -0.083 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661975078 485326513 /nfs/dbraw/zinc/32/65/13/485326513.db2.gz KZCNPLPDBIHYNP-AWEZNQCLSA-N 0 3 360.480 -0.474 20 0 FBADHN CS(=O)(=O)N1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000661975088 485326119 /nfs/dbraw/zinc/32/61/19/485326119.db2.gz KZCNPLPDBIHYNP-CQSZACIVSA-N 0 3 360.480 -0.474 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661976742 485326787 /nfs/dbraw/zinc/32/67/87/485326787.db2.gz VRULJCQIRZAWSI-CABCVRRESA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661976743 485326309 /nfs/dbraw/zinc/32/63/09/485326309.db2.gz VRULJCQIRZAWSI-GJZGRUSLSA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661976744 485326584 /nfs/dbraw/zinc/32/65/84/485326584.db2.gz VRULJCQIRZAWSI-HUUCEWRRSA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661976745 485326617 /nfs/dbraw/zinc/32/66/17/485326617.db2.gz VRULJCQIRZAWSI-LSDHHAIUSA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661979322 485326484 /nfs/dbraw/zinc/32/64/84/485326484.db2.gz WQKQCRUDYHHCIS-CABCVRRESA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661979323 485326249 /nfs/dbraw/zinc/32/62/49/485326249.db2.gz WQKQCRUDYHHCIS-GJZGRUSLSA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661979324 485326216 /nfs/dbraw/zinc/32/62/16/485326216.db2.gz WQKQCRUDYHHCIS-HUUCEWRRSA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661979325 485326417 /nfs/dbraw/zinc/32/64/17/485326417.db2.gz WQKQCRUDYHHCIS-LSDHHAIUSA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661980320 485326926 /nfs/dbraw/zinc/32/69/26/485326926.db2.gz IDRRYYMOWMYHTE-CABCVRRESA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661980480 485326191 /nfs/dbraw/zinc/32/61/91/485326191.db2.gz IDRRYYMOWMYHTE-GJZGRUSLSA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661980483 485326321 /nfs/dbraw/zinc/32/63/21/485326321.db2.gz IDRRYYMOWMYHTE-HUUCEWRRSA-N 0 3 374.507 -0.037 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661980485 485326085 /nfs/dbraw/zinc/32/60/85/485326085.db2.gz IDRRYYMOWMYHTE-LSDHHAIUSA-N 0 3 374.507 -0.037 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661981389 485326936 /nfs/dbraw/zinc/32/69/36/485326936.db2.gz JOALIROQLFJOLD-CABCVRRESA-N 0 3 374.507 -0.037 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661981390 485326527 /nfs/dbraw/zinc/32/65/27/485326527.db2.gz JOALIROQLFJOLD-GJZGRUSLSA-N 0 3 374.507 -0.037 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661981391 485326664 /nfs/dbraw/zinc/32/66/64/485326664.db2.gz JOALIROQLFJOLD-HUUCEWRRSA-N 0 3 374.507 -0.037 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661981392 485327436 /nfs/dbraw/zinc/32/74/36/485327436.db2.gz JOALIROQLFJOLD-LSDHHAIUSA-N 0 3 374.507 -0.037 20 0 FBADHN COCCN1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1=O ZINC000661982090 485327524 /nfs/dbraw/zinc/32/75/24/485327524.db2.gz NWORKTMJVIBFCB-HNNXBMFYSA-N 0 3 354.451 -0.260 20 0 FBADHN COCCN1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1=O ZINC000661982091 485327288 /nfs/dbraw/zinc/32/72/88/485327288.db2.gz NWORKTMJVIBFCB-OAHLLOKOSA-N 0 3 354.451 -0.260 20 0 FBADHN C[C@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCN1S(C)(=O)=O ZINC000661982989 485327304 /nfs/dbraw/zinc/32/73/04/485327304.db2.gz SJMPTDHRLLJOQX-DZGCQCFKSA-N 0 3 374.507 -0.085 20 0 FBADHN C[C@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCN1S(C)(=O)=O ZINC000661982990 485327687 /nfs/dbraw/zinc/32/76/87/485327687.db2.gz SJMPTDHRLLJOQX-ZFWWWQNUSA-N 0 3 374.507 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCN1S(C)(=O)=O ZINC000661984326 485327930 /nfs/dbraw/zinc/32/79/30/485327930.db2.gz SJMPTDHRLLJOQX-HIFRSBDPSA-N 0 3 374.507 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCN1S(C)(=O)=O ZINC000661984327 485327477 /nfs/dbraw/zinc/32/74/77/485327477.db2.gz SJMPTDHRLLJOQX-UKRRQHHQSA-N 0 3 374.507 -0.085 20 0 FBADHN CCS(=O)(=O)C1(CNC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000661989357 485327852 /nfs/dbraw/zinc/32/78/52/485327852.db2.gz GHYFVGNICBUSTF-UHFFFAOYSA-N 0 3 360.480 -0.631 20 0 FBADHN CCS(=O)(=O)C1(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000661992344 485327923 /nfs/dbraw/zinc/32/79/23/485327923.db2.gz QCTIUBAYISQACA-GFCCVEGCSA-N 0 3 360.480 -0.285 20 0 FBADHN CCS(=O)(=O)C1(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000661992345 485327251 /nfs/dbraw/zinc/32/72/51/485327251.db2.gz QCTIUBAYISQACA-LBPRGKRZSA-N 0 3 360.480 -0.285 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000662032572 485329671 /nfs/dbraw/zinc/32/96/71/485329671.db2.gz JOTLYKCRMHRPBW-CABCVRRESA-N 0 3 367.471 -0.039 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000662032573 485329529 /nfs/dbraw/zinc/32/95/29/485329529.db2.gz JOTLYKCRMHRPBW-GJZGRUSLSA-N 0 3 367.471 -0.039 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000662032574 485329751 /nfs/dbraw/zinc/32/97/51/485329751.db2.gz JOTLYKCRMHRPBW-HUUCEWRRSA-N 0 3 367.471 -0.039 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H]3COC[C@H]3C2)cc1 ZINC000662032575 485329941 /nfs/dbraw/zinc/32/99/41/485329941.db2.gz JOTLYKCRMHRPBW-LSDHHAIUSA-N 0 3 367.471 -0.039 20 0 FBADHN Cn1c2ncn(CCN3CC[C@@H](CN4CCCC4=O)C3)c2c(=O)n(C)c1=O ZINC000662054760 485329950 /nfs/dbraw/zinc/32/99/50/485329950.db2.gz IBVYIBNSUMWWRS-CYBMUJFWSA-N 0 3 374.445 -0.622 20 0 FBADHN Cn1c2ncn(CCN3CC[C@H](CN4CCCC4=O)C3)c2c(=O)n(C)c1=O ZINC000662054763 485330023 /nfs/dbraw/zinc/33/00/23/485330023.db2.gz IBVYIBNSUMWWRS-ZDUSSCGKSA-N 0 3 374.445 -0.622 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@@]1(C)CO ZINC000662135758 485330687 /nfs/dbraw/zinc/33/06/87/485330687.db2.gz GZIBRJANKGYIKP-BEFAXECRSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@]1(C)CO ZINC000662135760 485330950 /nfs/dbraw/zinc/33/09/50/485330950.db2.gz GZIBRJANKGYIKP-DNVCBOLYSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@]1(C)CO ZINC000662135762 485330767 /nfs/dbraw/zinc/33/07/67/485330767.db2.gz GZIBRJANKGYIKP-HNAYVOBHSA-N 0 3 368.522 -0.004 20 0 FBADHN C[C@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@@]1(C)CO ZINC000662135764 485331083 /nfs/dbraw/zinc/33/10/83/485331083.db2.gz GZIBRJANKGYIKP-KXBFYZLASA-N 0 3 368.522 -0.004 20 0 FBADHN CCn1c(N)c(C(=O)CN2CCC(N3CC[C@@H](O)C3)CC2)c(=O)[nH]c1=O ZINC000662160672 485330653 /nfs/dbraw/zinc/33/06/53/485330653.db2.gz ONZSANATWRRELF-GFCCVEGCSA-N 0 3 365.434 -0.735 20 0 FBADHN CCn1c(N)c(C(=O)CN2CCC(N3CC[C@H](O)C3)CC2)c(=O)[nH]c1=O ZINC000662160673 485330622 /nfs/dbraw/zinc/33/06/22/485330622.db2.gz ONZSANATWRRELF-LBPRGKRZSA-N 0 3 365.434 -0.735 20 0 FBADHN COCCN(C)C[C@@H](O)CN1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662224112 485333569 /nfs/dbraw/zinc/33/35/69/485333569.db2.gz BFTWWMFVCXSUFY-GFCCVEGCSA-N 0 3 363.505 -0.307 20 0 FBADHN COCCN(C)C[C@H](O)CN1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662224113 485332655 /nfs/dbraw/zinc/33/26/55/485332655.db2.gz BFTWWMFVCXSUFY-LBPRGKRZSA-N 0 3 363.505 -0.307 20 0 FBADHN C[C@@H]1[C@H](C)N(C[C@@H](O)Cn2cccn2)CCN1C[C@H](O)Cn1cccn1 ZINC000662226408 485333523 /nfs/dbraw/zinc/33/35/23/485333523.db2.gz RREXFPWCSIMTFJ-FZDBZEDMSA-N 0 3 362.478 -0.104 20 0 FBADHN C[C@@H]1[C@H](C)N(C[C@H](O)Cn2cccn2)CCN1C[C@H](O)Cn1cccn1 ZINC000662226409 485332767 /nfs/dbraw/zinc/33/27/67/485332767.db2.gz RREXFPWCSIMTFJ-MHORFTMASA-N 0 3 362.478 -0.104 20 0 FBADHN C[C@@H]1[C@H](C)N(C[C@H](O)Cn2cccn2)CCN1C[C@@H](O)Cn1cccn1 ZINC000662226410 485332681 /nfs/dbraw/zinc/33/26/81/485332681.db2.gz RREXFPWCSIMTFJ-USTZCAOPSA-N 0 3 362.478 -0.104 20 0 FBADHN C[C@@H]1[C@H](C)N(C[C@@H](O)Cn2cccn2)CCN1C[C@@H](O)Cn1cccn1 ZINC000662226411 485332823 /nfs/dbraw/zinc/33/28/23/485332823.db2.gz RREXFPWCSIMTFJ-XMTFNYHQSA-N 0 3 362.478 -0.104 20 0 FBADHN NS(=O)(=O)c1cc(CN2CCC[C@@H](C(=O)N3CCNCC3)C2)co1 ZINC000662245329 485333646 /nfs/dbraw/zinc/33/36/46/485333646.db2.gz SXXUKFQARPLTGD-CYBMUJFWSA-N 0 3 356.448 -0.429 20 0 FBADHN NS(=O)(=O)c1cc(CN2CCC[C@H](C(=O)N3CCNCC3)C2)co1 ZINC000662245330 485333450 /nfs/dbraw/zinc/33/34/50/485333450.db2.gz SXXUKFQARPLTGD-ZDUSSCGKSA-N 0 3 356.448 -0.429 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C[C@@H]2CNCCO2)CC1 ZINC000662248444 485333247 /nfs/dbraw/zinc/33/32/47/485333247.db2.gz BWUZICVEIFMKJA-AWEZNQCLSA-N 0 3 358.464 -0.024 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C[C@H]2CNCCO2)CC1 ZINC000662248445 485333627 /nfs/dbraw/zinc/33/36/27/485333627.db2.gz BWUZICVEIFMKJA-CQSZACIVSA-N 0 3 358.464 -0.024 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CNCCO3)CC2)cc1 ZINC000662248941 485332923 /nfs/dbraw/zinc/33/29/23/485332923.db2.gz FXELPRIAYILASF-HNNXBMFYSA-N 0 3 355.460 -0.010 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCN(C[C@H]3CNCCO3)CC2)cc1 ZINC000662248943 485332895 /nfs/dbraw/zinc/33/28/95/485332895.db2.gz FXELPRIAYILASF-OAHLLOKOSA-N 0 3 355.460 -0.010 20 0 FBADHN O=S(=O)(c1c[nH]c2ncccc12)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662252801 485333099 /nfs/dbraw/zinc/33/30/99/485333099.db2.gz PLKLTMZDYUQQNL-CYBMUJFWSA-N 0 3 365.459 -0.142 20 0 FBADHN O=S(=O)(c1c[nH]c2ncccc12)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662252802 485332583 /nfs/dbraw/zinc/33/25/83/485332583.db2.gz PLKLTMZDYUQQNL-ZDUSSCGKSA-N 0 3 365.459 -0.142 20 0 FBADHN CCOc1ccc(N2CCN(C[C@@H](O)CN(C)CCOC)CC2)nn1 ZINC000662253244 485333431 /nfs/dbraw/zinc/33/34/31/485333431.db2.gz UWHSMTKMQVCZLC-HNNXBMFYSA-N 0 3 353.467 -0.064 20 0 FBADHN CCOc1ccc(N2CCN(C[C@H](O)CN(C)CCOC)CC2)nn1 ZINC000662253245 485333140 /nfs/dbraw/zinc/33/31/40/485333140.db2.gz UWHSMTKMQVCZLC-OAHLLOKOSA-N 0 3 353.467 -0.064 20 0 FBADHN CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H]3CNCCO3)CC2)c1 ZINC000662254110 485333291 /nfs/dbraw/zinc/33/32/91/485333291.db2.gz FLECPBUDBPWAEQ-HNNXBMFYSA-N 0 3 367.471 -0.164 20 0 FBADHN CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H]3CNCCO3)CC2)c1 ZINC000662254111 485332533 /nfs/dbraw/zinc/33/25/33/485332533.db2.gz FLECPBUDBPWAEQ-OAHLLOKOSA-N 0 3 367.471 -0.164 20 0 FBADHN O=S(=O)(Cc1ccon1)N1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662255466 485333479 /nfs/dbraw/zinc/33/34/79/485333479.db2.gz CGZXIRNVALABMI-AWEZNQCLSA-N 0 3 356.448 -0.357 20 0 FBADHN O=S(=O)(Cc1ccon1)N1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662255487 485333311 /nfs/dbraw/zinc/33/33/11/485333311.db2.gz CGZXIRNVALABMI-CQSZACIVSA-N 0 3 356.448 -0.357 20 0 FBADHN CC(C)OCCS(=O)(=O)N1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662257244 485332706 /nfs/dbraw/zinc/33/27/06/485332706.db2.gz BSVQQQHVHHEQFU-HNNXBMFYSA-N 0 3 361.508 -0.120 20 0 FBADHN CC(C)OCCS(=O)(=O)N1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662257250 485333007 /nfs/dbraw/zinc/33/30/07/485333007.db2.gz BSVQQQHVHHEQFU-OAHLLOKOSA-N 0 3 361.508 -0.120 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662260247 485333040 /nfs/dbraw/zinc/33/30/40/485333040.db2.gz JHSYDMWMJCNGFZ-HNNXBMFYSA-N 0 3 366.487 -0.023 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662260248 485333161 /nfs/dbraw/zinc/33/31/61/485333161.db2.gz JHSYDMWMJCNGFZ-OAHLLOKOSA-N 0 3 366.487 -0.023 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662261328 485334095 /nfs/dbraw/zinc/33/40/95/485334095.db2.gz HVFWKRLQMNTNPJ-CVEARBPZSA-N 0 3 354.495 -0.334 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662261329 485334701 /nfs/dbraw/zinc/33/47/01/485334701.db2.gz HVFWKRLQMNTNPJ-HOTGVXAUSA-N 0 3 354.495 -0.334 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662261330 485334641 /nfs/dbraw/zinc/33/46/41/485334641.db2.gz HVFWKRLQMNTNPJ-HZPDHXFCSA-N 0 3 354.495 -0.334 20 0 FBADHN COCCCNC(=O)[C@H](C)N1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662261331 485334106 /nfs/dbraw/zinc/33/41/06/485334106.db2.gz HVFWKRLQMNTNPJ-JKSUJKDBSA-N 0 3 354.495 -0.334 20 0 FBADHN CNS(=O)(=O)c1ccccc1N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662261760 485334452 /nfs/dbraw/zinc/33/44/52/485334452.db2.gz NPILPGYQUMBLMW-AWEZNQCLSA-N 0 3 354.476 -0.295 20 0 FBADHN CNS(=O)(=O)c1ccccc1N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662261761 485334778 /nfs/dbraw/zinc/33/47/78/485334778.db2.gz NPILPGYQUMBLMW-CQSZACIVSA-N 0 3 354.476 -0.295 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)cn1C ZINC000662276920 485334790 /nfs/dbraw/zinc/33/47/90/485334790.db2.gz ADXUFDCXNRRJIC-AWEZNQCLSA-N 0 3 369.491 -0.444 20 0 FBADHN Cc1nc(S(=O)(=O)N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)cn1C ZINC000662276921 485334329 /nfs/dbraw/zinc/33/43/29/485334329.db2.gz ADXUFDCXNRRJIC-CQSZACIVSA-N 0 3 369.491 -0.444 20 0 FBADHN CCCCn1c(N)c(N(CCOC)C[C@H]2CNCCO2)c(=O)[nH]c1=O ZINC000662278102 485334746 /nfs/dbraw/zinc/33/47/46/485334746.db2.gz WDAWDDGMCYOGAZ-GFCCVEGCSA-N 0 3 355.439 -0.228 20 0 FBADHN CCCCn1c(N)c(N(CCOC)C[C@@H]2CNCCO2)c(=O)[nH]c1=O ZINC000662278107 485334470 /nfs/dbraw/zinc/33/44/70/485334470.db2.gz WDAWDDGMCYOGAZ-LBPRGKRZSA-N 0 3 355.439 -0.228 20 0 FBADHN COCCN(C[C@H]1CNCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000662278250 485334907 /nfs/dbraw/zinc/33/49/07/485334907.db2.gz ZWDQUVFDKZRAGM-GFCCVEGCSA-N 0 3 355.439 -0.372 20 0 FBADHN COCCN(C[C@@H]1CNCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000662278251 485334570 /nfs/dbraw/zinc/33/45/70/485334570.db2.gz ZWDQUVFDKZRAGM-LBPRGKRZSA-N 0 3 355.439 -0.372 20 0 FBADHN O=S(=O)([C@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662278737 485334286 /nfs/dbraw/zinc/33/42/86/485334286.db2.gz LTCVXWREVMYHOZ-CABCVRRESA-N 0 3 359.492 -0.366 20 0 FBADHN O=S(=O)([C@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662278738 485334665 /nfs/dbraw/zinc/33/46/65/485334665.db2.gz LTCVXWREVMYHOZ-GJZGRUSLSA-N 0 3 359.492 -0.366 20 0 FBADHN O=S(=O)([C@@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662278739 485334196 /nfs/dbraw/zinc/33/41/96/485334196.db2.gz LTCVXWREVMYHOZ-HUUCEWRRSA-N 0 3 359.492 -0.366 20 0 FBADHN O=S(=O)([C@@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662278740 485334849 /nfs/dbraw/zinc/33/48/49/485334849.db2.gz LTCVXWREVMYHOZ-LSDHHAIUSA-N 0 3 359.492 -0.366 20 0 FBADHN c1nc(N2CCOCC2)cc(N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)n1 ZINC000662279604 485334032 /nfs/dbraw/zinc/33/40/32/485334032.db2.gz WECAJUDXLBBQSM-INIZCTEOSA-N 0 3 374.489 -0.044 20 0 FBADHN c1nc(N2CCOCC2)cc(N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)n1 ZINC000662279606 485334595 /nfs/dbraw/zinc/33/45/95/485334595.db2.gz WECAJUDXLBBQSM-MRXNPFEDSA-N 0 3 374.489 -0.044 20 0 FBADHN NCC12CC(C1)CN2CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000662308015 485336155 /nfs/dbraw/zinc/33/61/55/485336155.db2.gz NBXUKHVVWFAMMS-DGNOSDGRSA-N 0 3 371.503 -0.396 20 0 FBADHN NCC12CC(C1)CN2CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000662308016 485336548 /nfs/dbraw/zinc/33/65/48/485336548.db2.gz NBXUKHVVWFAMMS-GWUWNPHMSA-N 0 3 371.503 -0.396 20 0 FBADHN NCC12CC(C1)CN2CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000662308017 485336639 /nfs/dbraw/zinc/33/66/39/485336639.db2.gz NBXUKHVVWFAMMS-GYMHETDLSA-N 0 3 371.503 -0.396 20 0 FBADHN NCC12CC(C1)CN2CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000662308018 485336711 /nfs/dbraw/zinc/33/67/11/485336711.db2.gz NBXUKHVVWFAMMS-KRIMKBQASA-N 0 3 371.503 -0.396 20 0 FBADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@H](O)[C@@H](N)Cc3ccccc3)C[C@H]21 ZINC000662311714 485336184 /nfs/dbraw/zinc/33/61/84/485336184.db2.gz CQMVJFIKAARMCG-VIQHNZTISA-N 0 3 354.472 -0.339 20 0 FBADHN COCCN(C(=O)CN1CC[C@@H](C)C[C@H]1CN)[C@H]1CCS(=O)(=O)C1 ZINC000662313671 485336416 /nfs/dbraw/zinc/33/64/16/485336416.db2.gz VJZJAPWTXJPWSI-ILXRZTDVSA-N 0 3 361.508 -0.292 20 0 FBADHN COCCN(C(=O)CN1CC[C@@H](C)C[C@H]1CN)[C@@H]1CCS(=O)(=O)C1 ZINC000662313672 485336338 /nfs/dbraw/zinc/33/63/38/485336338.db2.gz VJZJAPWTXJPWSI-KFWWJZLASA-N 0 3 361.508 -0.292 20 0 FBADHN N[C@@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@H]1F ZINC000662319855 485336677 /nfs/dbraw/zinc/33/66/77/485336677.db2.gz CBWVVAVDSIYVNU-CHWSQXEVSA-N 0 3 356.423 -0.406 20 0 FBADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000662320498 485336649 /nfs/dbraw/zinc/33/66/49/485336649.db2.gz BMDJUCDXJGWHER-CHWSQXEVSA-N 0 3 354.411 -0.063 20 0 FBADHN CC(C)N(CCCNC(=O)CN1CC[C@@H](F)[C@H](N)C1)S(C)(=O)=O ZINC000662320574 485336672 /nfs/dbraw/zinc/33/66/72/485336672.db2.gz BYWBLWLLALPNRS-CHWSQXEVSA-N 0 3 352.476 -0.466 20 0 FBADHN N[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1F ZINC000662321689 485336279 /nfs/dbraw/zinc/33/62/79/485336279.db2.gz PBGPCDJOJVDDOX-HUUCEWRRSA-N 0 3 372.466 -0.246 20 0 FBADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](F)[C@H](N)C2)c(=O)n(C)c1=O ZINC000662321742 485336718 /nfs/dbraw/zinc/33/67/18/485336718.db2.gz CXLNAWHWAYUUCS-GHMZBOCLSA-N 0 3 355.414 -0.661 20 0 FBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662321772 485336375 /nfs/dbraw/zinc/33/63/75/485336375.db2.gz PJHWNUVISUSRPE-LERXQTSPSA-N 0 3 370.450 -0.017 20 0 FBADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662321774 485336255 /nfs/dbraw/zinc/33/62/55/485336255.db2.gz PJHWNUVISUSRPE-ZLKJLUDKSA-N 0 3 370.450 -0.017 20 0 FBADHN N[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1F ZINC000662323360 485336143 /nfs/dbraw/zinc/33/61/43/485336143.db2.gz YWUKBWJQVNYFJU-ZIAGYGMSSA-N 0 3 358.439 -0.636 20 0 FBADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](F)[C@H](N)C1 ZINC000662323609 485336666 /nfs/dbraw/zinc/33/66/66/485336666.db2.gz ZBHGFXOPJITTMH-KCPJHIHWSA-N 0 3 372.466 -0.248 20 0 FBADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](F)[C@H](N)C1 ZINC000662323611 485336215 /nfs/dbraw/zinc/33/62/15/485336215.db2.gz ZBHGFXOPJITTMH-NILFDRSVSA-N 0 3 372.466 -0.248 20 0 FBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662324962 485336585 /nfs/dbraw/zinc/33/65/85/485336585.db2.gz GAWBVEHPCYDBGA-ZIAGYGMSSA-N 0 3 357.474 -0.584 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662325678 485336478 /nfs/dbraw/zinc/33/64/78/485336478.db2.gz PIFQYXUKQDLSDK-GHMZBOCLSA-N 0 3 360.411 -0.348 20 0 FBADHN CN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H](CN)C(F)(F)F ZINC000662328358 485336531 /nfs/dbraw/zinc/33/65/31/485336531.db2.gz DWELCWCGAPQDGG-GFCCVEGCSA-N 0 3 362.352 -0.012 20 0 FBADHN CN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H](CN)C(F)(F)F ZINC000662328360 485336517 /nfs/dbraw/zinc/33/65/17/485336517.db2.gz DWELCWCGAPQDGG-LBPRGKRZSA-N 0 3 362.352 -0.012 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN(C)[C@H](CN)C(F)(F)F)CC1 ZINC000662329997 485336426 /nfs/dbraw/zinc/33/64/26/485336426.db2.gz TXYUSBWKLCTIMF-LLVKDONJSA-N 0 3 353.389 -0.960 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN(C)[C@@H](CN)C(F)(F)F)CC1 ZINC000662329998 485336603 /nfs/dbraw/zinc/33/66/03/485336603.db2.gz TXYUSBWKLCTIMF-NSHDSACASA-N 0 3 353.389 -0.960 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662333586 485336386 /nfs/dbraw/zinc/33/63/86/485336386.db2.gz YRINXMNJINUPQV-BQBZGAKWSA-N 0 3 351.329 -0.941 20 0 FBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)[C@H](CN)C(F)(F)F ZINC000662333590 485336046 /nfs/dbraw/zinc/33/60/46/485336046.db2.gz YRINXMNJINUPQV-NKWVEPMBSA-N 0 3 351.329 -0.941 20 0 FBADHN 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/nfs/dbraw/zinc/33/63/67/485336367.db2.gz MSHFIUOILVTLEY-CQSZACIVSA-N 0 3 370.523 -0.062 20 0 FBADHN CS(=O)(=O)NCCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337937 485336295 /nfs/dbraw/zinc/33/62/95/485336295.db2.gz OCPPBAOBYNFRMU-CYBMUJFWSA-N 0 3 356.496 -0.452 20 0 FBADHN CS(=O)(=O)NCCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337939 485336132 /nfs/dbraw/zinc/33/61/32/485336132.db2.gz OCPPBAOBYNFRMU-ZDUSSCGKSA-N 0 3 356.496 -0.452 20 0 FBADHN O=C1CNC(=O)N1CCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337974 485336695 /nfs/dbraw/zinc/33/66/95/485336695.db2.gz OMRZSMQSYDZYBJ-CYBMUJFWSA-N 0 3 361.450 -0.450 20 0 FBADHN O=C1CNC(=O)N1CCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337976 485336320 /nfs/dbraw/zinc/33/63/20/485336320.db2.gz OMRZSMQSYDZYBJ-ZDUSSCGKSA-N 0 3 361.450 -0.450 20 0 FBADHN O=C(C(=O)N1CCN(C(=O)c2cccc3c2CNC3)CC1)N1CCOCC1 ZINC000662354651 485337150 /nfs/dbraw/zinc/33/71/50/485337150.db2.gz AQPONZQYMKTDFC-UHFFFAOYSA-N 0 3 372.425 -0.567 20 0 FBADHN O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662365596 485337174 /nfs/dbraw/zinc/33/71/74/485337174.db2.gz VCHPWCKFTVLNGF-UHFFFAOYSA-N 0 3 358.442 -0.094 20 0 FBADHN CC(C)OC[C@H](N)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000662376995 485337406 /nfs/dbraw/zinc/33/74/06/485337406.db2.gz YFUAKOJONARMQJ-HNNXBMFYSA-N 0 3 350.467 -0.143 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662378606 485337082 /nfs/dbraw/zinc/33/70/82/485337082.db2.gz BYAPSUQJRIQETH-UHFFFAOYSA-N 0 3 358.489 -0.042 20 0 FBADHN CC(C)NCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000662379272 485337363 /nfs/dbraw/zinc/33/73/63/485337363.db2.gz MDLSKUWWHJRGBJ-KBPBESRZSA-N 0 3 362.496 -0.517 20 0 FBADHN CC(C)NCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000662379275 485337073 /nfs/dbraw/zinc/33/70/73/485337073.db2.gz MDLSKUWWHJRGBJ-OKILXGFUSA-N 0 3 362.496 -0.517 20 0 FBADHN CC(C)NCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000662379276 485337160 /nfs/dbraw/zinc/33/71/60/485337160.db2.gz MDLSKUWWHJRGBJ-ZIAGYGMSSA-N 0 3 362.496 -0.517 20 0 FBADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662388803 485337165 /nfs/dbraw/zinc/33/71/65/485337165.db2.gz UREFVZMIKONREJ-UHFFFAOYSA-N 0 3 362.455 -0.043 20 0 FBADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662396475 485338197 /nfs/dbraw/zinc/33/81/97/485338197.db2.gz DMNQFVMOEFMGGR-UHFFFAOYSA-N 0 3 370.409 -0.277 20 0 FBADHN NS(=O)(=O)N1CCC[C@H](C(=O)NCCCNCc2cccnc2)C1 ZINC000662397379 485337554 /nfs/dbraw/zinc/33/75/54/485337554.db2.gz BTVOGSOXJXRONH-AWEZNQCLSA-N 0 3 355.464 -0.407 20 0 FBADHN NS(=O)(=O)N1CCC[C@@H](C(=O)NCCCNCc2cccnc2)C1 ZINC000662397380 485337679 /nfs/dbraw/zinc/33/76/79/485337679.db2.gz BTVOGSOXJXRONH-CQSZACIVSA-N 0 3 355.464 -0.407 20 0 FBADHN N[C@@H](C(=O)NCC(=O)N1CCNCC1)c1ccccc1Br ZINC000662401435 485337793 /nfs/dbraw/zinc/33/77/93/485337793.db2.gz NDTJSWJXSRCFIL-CYBMUJFWSA-N 0 3 355.236 -0.003 20 0 FBADHN 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FAFBFHWUWFNJLA-GFCCVEGCSA-N 0 3 368.463 -0.655 20 0 FBADHN NS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000662407509 485337687 /nfs/dbraw/zinc/33/76/87/485337687.db2.gz FAFBFHWUWFNJLA-LBPRGKRZSA-N 0 3 368.463 -0.655 20 0 FBADHN C[C@]1(c2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)NC(=O)[N-]C1=O ZINC000662437177 485338526 /nfs/dbraw/zinc/33/85/26/485338526.db2.gz NNKDSHBVRDYHCV-MRXNPFEDSA-N 0 3 357.374 -0.779 20 0 FBADHN C[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000662441648 485338756 /nfs/dbraw/zinc/33/87/56/485338756.db2.gz ANIFAMIZRAMION-DOMZBBRYSA-N 0 3 365.455 -0.017 20 0 FBADHN C[C@@H](NC(=O)C[C@H]1NCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000662441649 485338933 /nfs/dbraw/zinc/33/89/33/485338933.db2.gz ANIFAMIZRAMION-IUODEOHRSA-N 0 3 365.455 -0.017 20 0 FBADHN C[C@H](NC(=O)C[C@H]1NCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000662441650 485338608 /nfs/dbraw/zinc/33/86/08/485338608.db2.gz ANIFAMIZRAMION-SWLSCSKDSA-N 0 3 365.455 -0.017 20 0 FBADHN C[C@H](NC(=O)C[C@@H]1NCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000662441651 485338704 /nfs/dbraw/zinc/33/87/04/485338704.db2.gz ANIFAMIZRAMION-WFASDCNBSA-N 0 3 365.455 -0.017 20 0 FBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1(NC2CC2)CCC1 ZINC000662442320 485339046 /nfs/dbraw/zinc/33/90/46/485339046.db2.gz KRBIUGYKXPPEIH-CYBMUJFWSA-N 0 3 357.476 -0.187 20 0 FBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1(NC2CC2)CCC1 ZINC000662442321 485338469 /nfs/dbraw/zinc/33/84/69/485338469.db2.gz KRBIUGYKXPPEIH-ZDUSSCGKSA-N 0 3 357.476 -0.187 20 0 FBADHN C[C@H](NC(=O)c1cc2c(s1)CCNC2)C(=O)N1CCS(=O)(=O)CC1 ZINC000662442485 485339026 /nfs/dbraw/zinc/33/90/26/485339026.db2.gz NCNSRAMYRMZLFY-JTQLQIEISA-N 0 3 371.484 -0.231 20 0 FBADHN C[C@@H](NC(=O)c1cc2c(s1)CCNC2)C(=O)N1CCS(=O)(=O)CC1 ZINC000662442486 485338670 /nfs/dbraw/zinc/33/86/70/485338670.db2.gz NCNSRAMYRMZLFY-SNVBAGLBSA-N 0 3 371.484 -0.231 20 0 FBADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc2c(s1)CCNC2 ZINC000662443578 485338971 /nfs/dbraw/zinc/33/89/71/485338971.db2.gz RSGFLDBPKIRDNS-LLVKDONJSA-N 0 3 350.444 -0.139 20 0 FBADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc2c(s1)CCNC2 ZINC000662443579 485338517 /nfs/dbraw/zinc/33/85/17/485338517.db2.gz RSGFLDBPKIRDNS-NSHDSACASA-N 0 3 350.444 -0.139 20 0 FBADHN NC1(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC2(CCC2)C1 ZINC000662456714 485338785 /nfs/dbraw/zinc/33/87/85/485338785.db2.gz AOUVOTKWVHHASS-UHFFFAOYSA-N 0 3 364.446 -0.822 20 0 FBADHN O=C(C(=O)N1CCN(C(=O)C2(NC3CC3)CCC2)CC1)N1CCOCC1 ZINC000662458091 485338483 /nfs/dbraw/zinc/33/84/83/485338483.db2.gz UWWSSSJDEAYICQ-UHFFFAOYSA-N 0 3 364.446 -0.809 20 0 FBADHN O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc2c1CNC2 ZINC000662464499 485339745 /nfs/dbraw/zinc/33/97/45/485339745.db2.gz HHCLWKRSNHJXBN-HNNXBMFYSA-N 0 3 358.442 -0.047 20 0 FBADHN O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc2c1CNC2 ZINC000662464502 485339346 /nfs/dbraw/zinc/33/93/46/485339346.db2.gz HHCLWKRSNHJXBN-OAHLLOKOSA-N 0 3 358.442 -0.047 20 0 FBADHN CC[C@@H](NC)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662476766 485339446 /nfs/dbraw/zinc/33/94/46/485339446.db2.gz ZYSRTSPCBZOSNE-CYBMUJFWSA-N 0 3 354.432 -0.256 20 0 FBADHN CC[C@H](NC)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662476767 485339368 /nfs/dbraw/zinc/33/93/68/485339368.db2.gz ZYSRTSPCBZOSNE-ZDUSSCGKSA-N 0 3 354.432 -0.256 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662481648 485339640 /nfs/dbraw/zinc/33/96/40/485339640.db2.gz MQGAYFDBMPFXTF-HNNXBMFYSA-N 0 3 352.460 -0.346 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662481649 485339507 /nfs/dbraw/zinc/33/95/07/485339507.db2.gz MQGAYFDBMPFXTF-OAHLLOKOSA-N 0 3 352.460 -0.346 20 0 FBADHN NS(=O)(=O)CCN1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662481849 485339518 /nfs/dbraw/zinc/33/95/18/485339518.db2.gz PBZHZIUWJSVHFN-UHFFFAOYSA-N 0 3 358.489 -0.560 20 0 FBADHN O=C(N1CCN(S(=O)(=O)N2CCOCC2)CC1)C1(NC2CC2)CCC1 ZINC000662495299 485339376 /nfs/dbraw/zinc/33/93/76/485339376.db2.gz JMZONILOUOFUJI-UHFFFAOYSA-N 0 3 372.491 -0.618 20 0 FBADHN NC1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC2(CCC2)C1 ZINC000662496056 485339614 /nfs/dbraw/zinc/33/96/14/485339614.db2.gz VXNDJLLPEISJFS-UHFFFAOYSA-N 0 3 372.491 -0.631 20 0 FBADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000662503621 485339296 /nfs/dbraw/zinc/33/92/96/485339296.db2.gz LOWDZPOOJYQNCP-UHFFFAOYSA-N 0 3 356.426 -0.105 20 0 FBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662505332 485339238 /nfs/dbraw/zinc/33/92/38/485339238.db2.gz ILDXPGCMAHNJRZ-DZGCQCFKSA-N 0 3 365.455 -0.017 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662505333 485339694 /nfs/dbraw/zinc/33/96/94/485339694.db2.gz ILDXPGCMAHNJRZ-HIFRSBDPSA-N 0 3 365.455 -0.017 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662505335 485339763 /nfs/dbraw/zinc/33/97/63/485339763.db2.gz ILDXPGCMAHNJRZ-UKRRQHHQSA-N 0 3 365.455 -0.017 20 0 FBADHN 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483909925 /nfs/dbraw/zinc/90/99/25/483909925.db2.gz URGJWWRSBUGJOI-SNVBAGLBSA-N 0 3 357.436 -0.681 20 0 FBADHN CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662753206 483910548 /nfs/dbraw/zinc/91/05/48/483910548.db2.gz PTBOTIBKBMSFDR-UHFFFAOYSA-N 0 3 365.415 -0.131 20 0 FBADHN CN(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)S(=O)(=O)c1ccccc1 ZINC000662753244 483910134 /nfs/dbraw/zinc/91/01/34/483910134.db2.gz XLUXWSBGVOPUEF-UHFFFAOYSA-N 0 3 365.415 -0.422 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)n1 ZINC000662753363 483910741 /nfs/dbraw/zinc/91/07/41/483910741.db2.gz PVOQAWJDJJDVCK-AWEZNQCLSA-N 0 3 371.397 -0.315 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 ZINC000662753366 483911030 /nfs/dbraw/zinc/91/10/30/483911030.db2.gz PVOQAWJDJJDVCK-CQSZACIVSA-N 0 3 371.397 -0.315 20 0 FBADHN CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662753555 483910510 /nfs/dbraw/zinc/91/05/10/483910510.db2.gz TWJNCALGBNKYRF-UHFFFAOYSA-N 0 3 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483912359 /nfs/dbraw/zinc/91/23/59/483912359.db2.gz AERCCDHMABLGRL-MRXNPFEDSA-N 0 3 359.474 -0.224 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n1 ZINC000662755380 483912536 /nfs/dbraw/zinc/91/25/36/483912536.db2.gz ZFJCXYBXDJZFEQ-UHFFFAOYSA-N 0 3 362.390 -0.488 20 0 FBADHN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662787899 483913810 /nfs/dbraw/zinc/91/38/10/483913810.db2.gz HUPPUOVZZXXXDV-UHFFFAOYSA-N 0 3 362.430 -0.519 20 0 FBADHN NC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC2(CCC2)C1 ZINC000662788051 483913643 /nfs/dbraw/zinc/91/36/43/483913643.db2.gz IKKJPIIGBRHIPE-UHFFFAOYSA-N 0 3 362.430 -0.532 20 0 FBADHN [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000662810851 483913819 /nfs/dbraw/zinc/91/38/19/483913819.db2.gz DSPASBQJEPTWOX-CMPLNLGQSA-N 0 3 363.386 -0.277 20 0 FBADHN [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000662810853 483913294 /nfs/dbraw/zinc/91/32/94/483913294.db2.gz DSPASBQJEPTWOX-JQWIXIFHSA-N 0 3 363.386 -0.277 20 0 FBADHN [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000662810854 483913710 /nfs/dbraw/zinc/91/37/10/483913710.db2.gz DSPASBQJEPTWOX-PWSUYJOCSA-N 0 3 363.386 -0.277 20 0 FBADHN [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000662810855 483913737 /nfs/dbraw/zinc/91/37/37/483913737.db2.gz DSPASBQJEPTWOX-ZYHUDNBSSA-N 0 3 363.386 -0.277 20 0 FBADHN N[C@@H]1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C[C@H]1c1ccccc1F ZINC000662814592 483914384 /nfs/dbraw/zinc/91/43/84/483914384.db2.gz DTSMVSPTCIBYJZ-CORIIIEPSA-N 0 3 370.450 -0.006 20 0 FBADHN N[C@@H]1CN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C[C@H]1c1ccccc1F ZINC000662814593 483914948 /nfs/dbraw/zinc/91/49/48/483914948.db2.gz DTSMVSPTCIBYJZ-OSAQELSMSA-N 0 3 370.450 -0.006 20 0 FBADHN N[C@@H]1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C[C@H]1c1cccc(F)c1 ZINC000662816813 483914665 /nfs/dbraw/zinc/91/46/65/483914665.db2.gz PUVCRLPNCFNKRF-AEGPPILISA-N 0 3 370.450 -0.006 20 0 FBADHN 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/nfs/dbraw/zinc/91/44/85/483914485.db2.gz XIQAVTFIJUOXQI-UKRRQHHQSA-N 0 3 352.460 -0.013 20 0 FBADHN NC[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000662824608 483914927 /nfs/dbraw/zinc/91/49/27/483914927.db2.gz XIQAVTFIJUOXQI-ZFWWWQNUSA-N 0 3 352.460 -0.013 20 0 FBADHN Cc1c(CN)c(NC(=O)c2cc(C)c3c(n2)n(C)c(=O)n(C)c3=O)nn1C ZINC000662837103 483915173 /nfs/dbraw/zinc/91/51/73/483915173.db2.gz JKQXGCDNHKNSMU-UHFFFAOYSA-N 0 3 371.401 -0.306 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1nc2n(n1)CCCN2 ZINC000662858255 483915925 /nfs/dbraw/zinc/91/59/25/483915925.db2.gz FSWADKBDCLFJSK-HNNXBMFYSA-N 0 3 356.430 -0.152 20 0 FBADHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1nc2n(n1)CCCN2 ZINC000662858257 483915944 /nfs/dbraw/zinc/91/59/44/483915944.db2.gz FSWADKBDCLFJSK-OAHLLOKOSA-N 0 3 356.430 -0.152 20 0 FBADHN COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN2CC(=O)[N-]C2=O)cc1F ZINC000662869566 483915574 /nfs/dbraw/zinc/91/55/74/483915574.db2.gz AQAGREFHXTZQRC-AAEUAGOBSA-N 0 3 364.377 -0.052 20 0 FBADHN Cc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)ccc1OCCN(C)C ZINC000662906496 483921626 /nfs/dbraw/zinc/92/16/26/483921626.db2.gz NLZZIEZXEBDASU-GASCZTMLSA-N 0 3 365.430 -0.172 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1F ZINC000662906526 483921582 /nfs/dbraw/zinc/92/15/82/483921582.db2.gz PCEMIVGEBUXOCQ-BETUJISGSA-N 0 3 369.393 -0.341 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N(CCN2CCOCC2)CC2CC2)C1=O ZINC000662910182 483923517 /nfs/dbraw/zinc/92/35/17/483923517.db2.gz MJYSUVVPDHHEJO-INIZCTEOSA-N 0 3 352.479 -0.103 20 0 FBADHN N[C@@H]1CCCCN(CC(=O)N(CCN2CCOCC2)CC2CC2)C1=O ZINC000662910183 483923508 /nfs/dbraw/zinc/92/35/08/483923508.db2.gz MJYSUVVPDHHEJO-MRXNPFEDSA-N 0 3 352.479 -0.103 20 0 FBADHN CS(=O)(=O)C1(C(=O)N(CCN2CCOCC2)CC2CC2)CCNCC1 ZINC000662911855 483923094 /nfs/dbraw/zinc/92/30/94/483923094.db2.gz WIGHXHMYAMMXQW-UHFFFAOYSA-N 0 3 373.519 -0.276 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000662912541 483924041 /nfs/dbraw/zinc/92/40/41/483924041.db2.gz KFYKVIDSKZBLNB-FMKPAKJESA-N 0 3 352.479 -0.155 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000662919287 483925767 /nfs/dbraw/zinc/92/57/67/483925767.db2.gz SUPJEVNAOCXBBA-UHFFFAOYSA-N 0 3 356.426 -0.079 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC000662920332 483926531 /nfs/dbraw/zinc/92/65/31/483926531.db2.gz VZKUZRYZSSIAPJ-DOMZBBRYSA-N 0 3 361.402 -0.005 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 ZINC000662920333 483926129 /nfs/dbraw/zinc/92/61/29/483926129.db2.gz VZKUZRYZSSIAPJ-WFASDCNBSA-N 0 3 361.402 -0.005 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000662921435 483925597 /nfs/dbraw/zinc/92/55/97/483925597.db2.gz ABHXAHZYOQNANF-UHFFFAOYSA-N 0 3 357.414 -0.684 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)CC2)n1 ZINC000662924361 483926704 /nfs/dbraw/zinc/92/67/04/483926704.db2.gz YDGHDLLPIKXQOU-UHFFFAOYSA-N 0 3 360.418 -0.917 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CC[C@H]1F ZINC000662924664 483926625 /nfs/dbraw/zinc/92/66/25/483926625.db2.gz GIZRUEYXSQRMSR-HUUCEWRRSA-N 0 3 356.442 -0.545 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000662924931 483925925 /nfs/dbraw/zinc/92/59/25/483925925.db2.gz AYFSCFVZYOGVFV-UHFFFAOYSA-N 0 3 362.455 -0.018 20 0 FBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)CC2)n1 ZINC000662925277 483928396 /nfs/dbraw/zinc/92/83/96/483928396.db2.gz LKTAPCRJTVOUKF-UHFFFAOYSA-N 0 3 358.446 -0.308 20 0 FBADHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662926431 483927965 /nfs/dbraw/zinc/92/79/65/483927965.db2.gz OTXAETISRVZYQS-MFOWVQHXSA-N 0 3 372.491 -0.744 20 0 FBADHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662926438 483927851 /nfs/dbraw/zinc/92/78/51/483927851.db2.gz OTXAETISRVZYQS-UYJPIKCFSA-N 0 3 372.491 -0.744 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@@H](C)O1 ZINC000662927876 483928439 /nfs/dbraw/zinc/92/84/39/483928439.db2.gz HVDCZZNITRBQNV-IBEHDNSVSA-N 0 3 370.469 -0.016 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@@H](C)O1 ZINC000662927877 483928643 /nfs/dbraw/zinc/92/86/43/483928643.db2.gz HVDCZZNITRBQNV-OXGONZEZSA-N 0 3 370.469 -0.016 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@H](C)O1 ZINC000662927878 483927143 /nfs/dbraw/zinc/92/71/43/483927143.db2.gz HVDCZZNITRBQNV-YIDVYQOGSA-N 0 3 370.469 -0.016 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@H](C)O1 ZINC000662927879 483927535 /nfs/dbraw/zinc/92/75/35/483927535.db2.gz HVDCZZNITRBQNV-ZVDSWSACSA-N 0 3 370.469 -0.016 20 0 FBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662927884 483928024 /nfs/dbraw/zinc/92/80/24/483928024.db2.gz HXTHCGHEPKRCMZ-CZJPOVKDSA-N 0 3 366.462 -0.674 20 0 FBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662927885 483928605 /nfs/dbraw/zinc/92/86/05/483928605.db2.gz HXTHCGHEPKRCMZ-DWBBHFSCSA-N 0 3 366.462 -0.674 20 0 FBADHN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662927886 483928269 /nfs/dbraw/zinc/92/82/69/483928269.db2.gz HXTHCGHEPKRCMZ-FMHYQEOESA-N 0 3 366.462 -0.674 20 0 FBADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662927887 483927573 /nfs/dbraw/zinc/92/75/73/483927573.db2.gz HXTHCGHEPKRCMZ-VUULHSHRSA-N 0 3 366.462 -0.674 20 0 FBADHN CN1CCN(CC2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)CC1 ZINC000662929133 483927623 /nfs/dbraw/zinc/92/76/23/483927623.db2.gz ZHJDHOYVTDDWIV-HZPDHXFCSA-N 0 3 369.485 -0.630 20 0 FBADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662929176 483927400 /nfs/dbraw/zinc/92/74/00/483927400.db2.gz AYBOEJFDIPHBTI-VNSJNIRKSA-N 0 3 350.463 -0.053 20 0 FBADHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662929177 483928667 /nfs/dbraw/zinc/92/86/67/483928667.db2.gz AYBOEJFDIPHBTI-WRSVWVKZSA-N 0 3 350.463 -0.053 20 0 FBADHN Cc1nc(CN2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)CC2)oc1C ZINC000662929665 483928473 /nfs/dbraw/zinc/92/84/73/483928473.db2.gz DHSWYESAKYDQQO-UHFFFAOYSA-N 0 3 361.446 -0.115 20 0 FBADHN COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)c1 ZINC000662930038 483928320 /nfs/dbraw/zinc/92/83/20/483928320.db2.gz LSVCBJIQFQEKRX-ZIAGYGMSSA-N 0 3 365.409 -0.364 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000662930046 483927092 /nfs/dbraw/zinc/92/70/92/483927092.db2.gz LVJXKXSUJIETDW-CSLYMUCUSA-N 0 3 350.463 -0.351 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000662930048 483928598 /nfs/dbraw/zinc/92/85/98/483928598.db2.gz LVJXKXSUJIETDW-SWKXRBFHSA-N 0 3 350.463 -0.351 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)CC[C@H]1F ZINC000662930888 483689528 /nfs/dbraw/zinc/68/95/28/483689528.db2.gz XDZKZKHFBJPWGY-HZPDHXFCSA-N 0 3 370.469 -0.155 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000662931148 483928161 /nfs/dbraw/zinc/92/81/61/483928161.db2.gz BLTZOEOQXCSMSR-UHFFFAOYSA-N 0 3 350.463 -0.493 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)C1 ZINC000662931184 483927497 /nfs/dbraw/zinc/92/74/97/483927497.db2.gz AFULIVFXVAXHSA-RBSFLKMASA-N 0 3 355.458 -0.878 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)C1 ZINC000662931185 483927678 /nfs/dbraw/zinc/92/76/78/483927678.db2.gz AFULIVFXVAXHSA-RRFJBIMHSA-N 0 3 355.458 -0.878 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CC[C@H]1F ZINC000662931497 483928071 /nfs/dbraw/zinc/92/80/71/483928071.db2.gz DNNMCVOEDIQTHF-HUUCEWRRSA-N 0 3 356.442 -0.545 20 0 FBADHN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662934302 483929368 /nfs/dbraw/zinc/92/93/68/483929368.db2.gz LNJWPZUYWXLZOG-UHFFFAOYSA-N 0 3 365.455 -0.002 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000662936734 483929109 /nfs/dbraw/zinc/92/91/09/483929109.db2.gz BLSJKJBSIWAXPT-KSTDHSDQSA-N 0 3 350.463 -0.493 20 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FBADHN COc1cc(N2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)CC2)ncn1 ZINC000662941383 483931881 /nfs/dbraw/zinc/93/18/81/483931881.db2.gz BSPPMLFBVXLVHD-UHFFFAOYSA-N 0 3 360.418 -0.917 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000662941552 483932267 /nfs/dbraw/zinc/93/22/67/483932267.db2.gz RFKBINFRFLXPGP-UHFFFAOYSA-N 0 3 358.446 -0.115 20 0 FBADHN CCC[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCN1CCOC ZINC000662941764 483932346 /nfs/dbraw/zinc/93/23/46/483932346.db2.gz FIXKIRSIYCVWEV-CSLYMUCUSA-N 0 3 352.479 -0.105 20 0 FBADHN CCC[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCN1CCOC ZINC000662941766 483932138 /nfs/dbraw/zinc/93/21/38/483932138.db2.gz FIXKIRSIYCVWEV-SWKXRBFHSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000662941883 483931245 /nfs/dbraw/zinc/93/12/45/483931245.db2.gz RPBCCNSLBJRVED-FPCVCCKLSA-N 0 3 369.485 -0.632 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000662941884 483931682 /nfs/dbraw/zinc/93/16/82/483931682.db2.gz RPBCCNSLBJRVED-JJXSEGSLSA-N 0 3 369.485 -0.632 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[C@H]1N1CCN(C)CC1 ZINC000662941885 483931741 /nfs/dbraw/zinc/93/17/41/483931741.db2.gz RPBCCNSLBJRVED-KLHDSHLOSA-N 0 3 369.485 -0.632 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[C@H]1N1CCN(C)CC1 ZINC000662941886 483931984 /nfs/dbraw/zinc/93/19/84/483931984.db2.gz RPBCCNSLBJRVED-ZJIFWQFVSA-N 0 3 369.485 -0.632 20 0 FBADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662942575 483932154 /nfs/dbraw/zinc/93/21/54/483932154.db2.gz XMLRYCKBJRMOPD-UHFFFAOYSA-N 0 3 352.479 -0.247 20 0 FBADHN CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CCN1CCOC ZINC000662942701 483932311 /nfs/dbraw/zinc/93/23/11/483932311.db2.gz NUTFSFLJZVPFSD-RBSFLKMASA-N 0 3 358.458 -0.157 20 0 FBADHN CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CCN1CCOC ZINC000662942703 483931184 /nfs/dbraw/zinc/93/11/84/483931184.db2.gz NUTFSFLJZVPFSD-RRFJBIMHSA-N 0 3 358.458 -0.157 20 0 FBADHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662943922 483934309 /nfs/dbraw/zinc/93/43/09/483934309.db2.gz DXYXBKTZWRXORN-FVRSWCFKSA-N 0 3 361.446 -0.113 20 0 FBADHN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662943923 483934204 /nfs/dbraw/zinc/93/42/04/483934204.db2.gz DXYXBKTZWRXORN-TXKKKEFDSA-N 0 3 361.446 -0.113 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000662944927 483934029 /nfs/dbraw/zinc/93/40/29/483934029.db2.gz BLSJKJBSIWAXPT-SYJJWHGVSA-N 0 3 350.463 -0.493 20 0 FBADHN N[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[C@H]1F ZINC000662944965 483934338 /nfs/dbraw/zinc/93/43/38/483934338.db2.gz DKBNPXQGUMUEJW-KFWWJZLASA-N 0 3 356.442 -0.403 20 0 FBADHN N[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[C@H]1F ZINC000662944966 483933587 /nfs/dbraw/zinc/93/35/87/483933587.db2.gz DKBNPXQGUMUEJW-RBSFLKMASA-N 0 3 356.442 -0.403 20 0 FBADHN Cc1ccc(-c2nnn(CC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)n2)cc1 ZINC000662945168 483933920 /nfs/dbraw/zinc/93/39/20/483933920.db2.gz HTAFQLVDMYPZTE-UHFFFAOYSA-N 0 3 354.374 -0.081 20 0 FBADHN N[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC[C@H]1F ZINC000662945287 483933844 /nfs/dbraw/zinc/93/38/44/483933844.db2.gz LUXYQXZNTWAUKX-GHMZBOCLSA-N 0 3 355.395 -0.261 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCN2CCN(c3ccccn3)CC2)n1 ZINC000662945379 483933980 /nfs/dbraw/zinc/93/39/80/483933980.db2.gz ALXUQQFLBIHRCH-UHFFFAOYSA-N 0 3 371.445 -0.136 20 0 FBADHN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945411 483934416 /nfs/dbraw/zinc/93/44/16/483934416.db2.gz PBLQMDXTBLIXKX-RKDXNWHRSA-N 0 3 361.395 -0.138 20 0 FBADHN Cc1cc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc(S(N)(=O)=O)c1C ZINC000662945542 483934046 /nfs/dbraw/zinc/93/40/46/483934046.db2.gz QWTOYSAFAPMASA-UHFFFAOYSA-N 0 3 365.415 -0.165 20 0 FBADHN N[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC[C@H]1F ZINC000662945548 483934098 /nfs/dbraw/zinc/93/40/98/483934098.db2.gz QZPOEYPJAAKPFB-RRFJBIMHSA-N 0 3 356.442 -0.545 20 0 FBADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662945608 483933754 /nfs/dbraw/zinc/93/37/54/483933754.db2.gz GABAJIIMQDXCIR-GFCCVEGCSA-N 0 3 371.463 -0.149 20 0 FBADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662945612 483934496 /nfs/dbraw/zinc/93/44/96/483934496.db2.gz GABAJIIMQDXCIR-LBPRGKRZSA-N 0 3 371.463 -0.149 20 0 FBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000662945642 483934321 /nfs/dbraw/zinc/93/43/21/483934321.db2.gz TTYLVTLKOUQGBR-ZIAGYGMSSA-N 0 3 372.422 -0.179 20 0 FBADHN COc1ccc(N2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)CC2)nc1 ZINC000662945650 483933947 /nfs/dbraw/zinc/93/39/47/483933947.db2.gz GJGAOZVVPHZHPD-UHFFFAOYSA-N 0 3 359.430 -0.312 20 0 FBADHN CN1CCN(c2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccn2)CC1 ZINC000662945812 483933317 /nfs/dbraw/zinc/93/33/17/483933317.db2.gz ITBAEKPAETVBSA-UHFFFAOYSA-N 0 3 357.418 -0.282 20 0 FBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945917 483934009 /nfs/dbraw/zinc/93/40/09/483934009.db2.gz XHRIXIPVNWHYRF-OASPWFOLSA-N 0 3 372.422 -0.650 20 0 FBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945918 483934210 /nfs/dbraw/zinc/93/42/10/483934210.db2.gz XHRIXIPVNWHYRF-ZWKOPEQDSA-N 0 3 372.422 -0.650 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CNC(=O)NCc2ccc(F)cc2)n1 ZINC000662945953 483934229 /nfs/dbraw/zinc/93/42/29/483934229.db2.gz KYCQRKXYNNWWRL-UHFFFAOYSA-N 0 3 362.365 -0.104 20 0 FBADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662946300 483934545 /nfs/dbraw/zinc/93/45/45/483934545.db2.gz RBTRKRJMSRFOJX-UHFFFAOYSA-N 0 3 363.462 -0.038 20 0 FBADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662946438 483933724 /nfs/dbraw/zinc/93/37/24/483933724.db2.gz STOQAOQWAXWADP-UHFFFAOYSA-N 0 3 371.444 -0.117 20 0 FBADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662946444 483933537 /nfs/dbraw/zinc/93/35/37/483933537.db2.gz STYAJVIFSJLGJZ-UHFFFAOYSA-N 0 3 368.419 -0.414 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCn3c(nnc3C(C)(C)C)C2)[C@H](CN)C1 ZINC000662946465 483933991 /nfs/dbraw/zinc/93/39/91/483933991.db2.gz DZPKFZYVFRPICN-GFCCVEGCSA-N 0 3 363.466 -0.981 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCn3c(nnc3C(C)(C)C)C2)[C@@H](CN)C1 ZINC000662946466 483933377 /nfs/dbraw/zinc/93/33/77/483933377.db2.gz DZPKFZYVFRPICN-LBPRGKRZSA-N 0 3 363.466 -0.981 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662946545 483933513 /nfs/dbraw/zinc/93/35/13/483933513.db2.gz WHQVSIIIUFPHRP-UHFFFAOYSA-N 0 3 365.415 -0.456 20 0 FBADHN CN(c1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000662947130 483933463 /nfs/dbraw/zinc/93/34/63/483933463.db2.gz LKCZHSMJCUDEAH-DLBZAZTESA-N 0 3 359.474 -0.175 20 0 FBADHN CN(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000662947131 483934085 /nfs/dbraw/zinc/93/40/85/483934085.db2.gz LKCZHSMJCUDEAH-IAGOWNOFSA-N 0 3 359.474 -0.175 20 0 FBADHN CN(c1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000662947132 483933415 /nfs/dbraw/zinc/93/34/15/483933415.db2.gz LKCZHSMJCUDEAH-IRXDYDNUSA-N 0 3 359.474 -0.175 20 0 FBADHN CN(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000662947133 483934061 /nfs/dbraw/zinc/93/40/61/483934061.db2.gz LKCZHSMJCUDEAH-SJORKVTESA-N 0 3 359.474 -0.175 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CCCCO3)CC2)[C@H](CN)C1 ZINC000662947138 483933999 /nfs/dbraw/zinc/93/39/99/483933999.db2.gz LLCNQQLNBJZHRU-CVEARBPZSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CCCCO3)CC2)[C@@H](CN)C1 ZINC000662947139 483934438 /nfs/dbraw/zinc/93/44/38/483934438.db2.gz LLCNQQLNBJZHRU-HOTGVXAUSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC([C@H]3CCCCO3)CC2)[C@H](CN)C1 ZINC000662947140 483933909 /nfs/dbraw/zinc/93/39/09/483933909.db2.gz LLCNQQLNBJZHRU-HZPDHXFCSA-N 0 3 352.479 -0.105 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC([C@H]3CCCCO3)CC2)[C@@H](CN)C1 ZINC000662947141 483933738 /nfs/dbraw/zinc/93/37/38/483933738.db2.gz LLCNQQLNBJZHRU-JKSUJKDBSA-N 0 3 352.479 -0.105 20 0 FBADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662947849 483935560 /nfs/dbraw/zinc/93/55/60/483935560.db2.gz XNWKGPXROPSKAT-CYBMUJFWSA-N 0 3 357.436 -0.637 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)nn1 ZINC000662948003 483935484 /nfs/dbraw/zinc/93/54/84/483935484.db2.gz DWQPKNXWYKXURB-INIZCTEOSA-N 0 3 364.450 -0.377 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)nn1 ZINC000662949636 483935455 /nfs/dbraw/zinc/93/54/55/483935455.db2.gz CUZPTMCEDWHJTL-UHFFFAOYSA-N 0 3 362.434 -0.654 20 0 FBADHN CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)C[C@H]1C(F)(F)F ZINC000662950382 483935265 /nfs/dbraw/zinc/93/52/65/483935265.db2.gz HFGNMRSSZVLZCL-NXEZZACHSA-N 0 3 371.381 -0.758 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000662952391 483935784 /nfs/dbraw/zinc/93/57/84/483935784.db2.gz DZWBGOREPRSUCE-KRWDZBQOSA-N 0 3 360.458 -0.093 20 0 FBADHN NCCN(Cc1ccccc1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000662952392 483935802 /nfs/dbraw/zinc/93/58/02/483935802.db2.gz DZWBGOREPRSUCE-QGZVFWFLSA-N 0 3 360.458 -0.093 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662952499 483935659 /nfs/dbraw/zinc/93/56/59/483935659.db2.gz GYCRBTXAOJAXTQ-AEGPPILISA-N 0 3 372.425 -0.564 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662952502 483935648 /nfs/dbraw/zinc/93/56/48/483935648.db2.gz GYCRBTXAOJAXTQ-YUELXQCFSA-N 0 3 372.425 -0.564 20 0 FBADHN C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000662952999 483935616 /nfs/dbraw/zinc/93/56/16/483935616.db2.gz JETTYCOLAJLODD-CIUDSAMLSA-N 0 3 359.370 -0.774 20 0 FBADHN C[C@H](CN)N(C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000662953000 483935148 /nfs/dbraw/zinc/93/51/48/483935148.db2.gz JETTYCOLAJLODD-VGMNWLOBSA-N 0 3 359.370 -0.774 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC2)nn1 ZINC000662954928 483937401 /nfs/dbraw/zinc/93/74/01/483937401.db2.gz XDQFNQLIQVRGSG-GFCCVEGCSA-N 0 3 350.423 -0.671 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC2)nn1 ZINC000662954930 483936912 /nfs/dbraw/zinc/93/69/12/483936912.db2.gz XDQFNQLIQVRGSG-LBPRGKRZSA-N 0 3 350.423 -0.671 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)[C@@H]1CN ZINC000662957749 483937316 /nfs/dbraw/zinc/93/73/16/483937316.db2.gz LDOLRYJUBOQDSN-HZSPNIEDSA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)[C@H]1CN ZINC000662957750 483937182 /nfs/dbraw/zinc/93/71/82/483937182.db2.gz LDOLRYJUBOQDSN-MCIONIFRSA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)[C@@H]1CN ZINC000662957751 483937378 /nfs/dbraw/zinc/93/73/78/483937378.db2.gz LDOLRYJUBOQDSN-MGPQQGTHSA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)[C@H]1CN ZINC000662957752 483936788 /nfs/dbraw/zinc/93/67/88/483936788.db2.gz LDOLRYJUBOQDSN-RDBSUJKOSA-N 0 3 353.467 -0.214 20 0 FBADHN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000662959048 483937094 /nfs/dbraw/zinc/93/70/94/483937094.db2.gz DSTHCIDIRIRXRU-CYBMUJFWSA-N 0 3 362.434 -0.962 20 0 FBADHN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000662959050 483936836 /nfs/dbraw/zinc/93/68/36/483936836.db2.gz DSTHCIDIRIRXRU-ZDUSSCGKSA-N 0 3 362.434 -0.962 20 0 FBADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000662959322 483937284 /nfs/dbraw/zinc/93/72/84/483937284.db2.gz ISTSUTLJBHIXNH-HRCADAONSA-N 0 3 365.405 -0.047 20 0 FBADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000662959325 483936867 /nfs/dbraw/zinc/93/68/67/483936867.db2.gz ISTSUTLJBHIXNH-OWCLPIDISA-N 0 3 365.405 -0.047 20 0 FBADHN CN(CCN)C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662959457 483936855 /nfs/dbraw/zinc/93/68/55/483936855.db2.gz HNNCMARSDLISFK-OKILXGFUSA-N 0 3 358.398 -0.953 20 0 FBADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000662960953 483938716 /nfs/dbraw/zinc/93/87/16/483938716.db2.gz UJNKWPGRBHTUDT-DUVNUKRYSA-N 0 3 365.405 -0.047 20 0 FBADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000662960956 483938431 /nfs/dbraw/zinc/93/84/31/483938431.db2.gz UJNKWPGRBHTUDT-IVMMDQJWSA-N 0 3 365.405 -0.047 20 0 FBADHN C[NH2+]C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000662961257 483938696 /nfs/dbraw/zinc/93/86/96/483938696.db2.gz AMMPRUHBAZHABF-SECBINFHSA-N 0 3 362.477 -0.613 20 0 FBADHN C[NH2+]C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000662961259 483938238 /nfs/dbraw/zinc/93/82/38/483938238.db2.gz AMMPRUHBAZHABF-VIFPVBQESA-N 0 3 362.477 -0.613 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@](O)(C4CC4)C3)C[C@H]2N)cn1 ZINC000662962531 483938932 /nfs/dbraw/zinc/93/89/32/483938932.db2.gz KRIMLRDVPFMIDK-DAYGRLMNSA-N 0 3 361.446 -0.563 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@](O)(C4CC4)C3)C[C@H]2N)cn1 ZINC000662962532 483937859 /nfs/dbraw/zinc/93/78/59/483937859.db2.gz KRIMLRDVPFMIDK-HDMKZQKVSA-N 0 3 361.446 -0.563 20 0 FBADHN C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000662971503 483937988 /nfs/dbraw/zinc/93/79/88/483937988.db2.gz HTNKGHZGOBNPOE-ARLBYUKCSA-N 0 3 363.462 -0.317 20 0 FBADHN C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000662971505 483937821 /nfs/dbraw/zinc/93/78/21/483937821.db2.gz HTNKGHZGOBNPOE-BVUBDWEXSA-N 0 3 363.462 -0.317 20 0 FBADHN C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000662971507 483938256 /nfs/dbraw/zinc/93/82/56/483938256.db2.gz HTNKGHZGOBNPOE-HNKHHVNMSA-N 0 3 363.462 -0.317 20 0 FBADHN C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000662971509 483938899 /nfs/dbraw/zinc/93/88/99/483938899.db2.gz HTNKGHZGOBNPOE-SLBVQIDZSA-N 0 3 363.462 -0.317 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@@H]1CCO ZINC000662973064 483939588 /nfs/dbraw/zinc/93/95/88/483939588.db2.gz VGLUWEZGGDVOMF-ARLBYUKCSA-N 0 3 363.462 -0.317 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@H]1CCO ZINC000662973065 483940464 /nfs/dbraw/zinc/94/04/64/483940464.db2.gz VGLUWEZGGDVOMF-BVUBDWEXSA-N 0 3 363.462 -0.317 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@H]1CCO ZINC000662973066 483939702 /nfs/dbraw/zinc/93/97/02/483939702.db2.gz VGLUWEZGGDVOMF-HNKHHVNMSA-N 0 3 363.462 -0.317 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)[C@@H]1CCO ZINC000662973067 483940535 /nfs/dbraw/zinc/94/05/35/483940535.db2.gz VGLUWEZGGDVOMF-SLBVQIDZSA-N 0 3 363.462 -0.317 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000662975956 483940407 /nfs/dbraw/zinc/94/04/07/483940407.db2.gz LRMIOQWAAWNROL-TXCIGDHXSA-N 0 3 356.426 -0.256 20 0 FBADHN CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662976668 483940279 /nfs/dbraw/zinc/94/02/79/483940279.db2.gz PFMJAAALEXDLAK-KOHRHEQBSA-N 0 3 361.442 -0.028 20 0 FBADHN CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662976670 483940188 /nfs/dbraw/zinc/94/01/88/483940188.db2.gz PFMJAAALEXDLAK-WUJZJPHMSA-N 0 3 361.442 -0.028 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000662976879 483939953 /nfs/dbraw/zinc/93/99/53/483939953.db2.gz IGSPHMYVJDKQFN-ZDUSSCGKSA-N 0 3 360.411 -0.811 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000662977051 483939520 /nfs/dbraw/zinc/93/95/20/483939520.db2.gz RYQCPXWNZDUGNM-IIYOLHEUSA-N 0 3 356.426 -0.336 20 0 FBADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000662977105 483940015 /nfs/dbraw/zinc/94/00/15/483940015.db2.gz SOOWOIQZJXGLAQ-UHFFFAOYSA-N 0 3 369.487 -0.104 20 0 FBADHN CC(C)OCCOC[C@@H](O)CN(C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662977418 483939752 /nfs/dbraw/zinc/93/97/52/483939752.db2.gz TUXUKPIRQUBIMY-UUCFBXCCSA-N 0 3 357.451 -0.803 20 0 FBADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662977421 483939497 /nfs/dbraw/zinc/93/94/97/483939497.db2.gz TUXUKPIRQUBIMY-XOYHFGRZSA-N 0 3 357.451 -0.803 20 0 FBADHN CCOc1ccc(N2CCN(C(=O)C(=O)N3CC4CC3(CN)C4)CC2)nn1 ZINC000662979533 483940305 /nfs/dbraw/zinc/94/03/05/483940305.db2.gz XXCAZHGBEPAEJE-UHFFFAOYSA-N 0 3 374.445 -0.526 20 0 FBADHN CN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)[C@@H](CN)C(F)(F)F ZINC000662979891 483940366 /nfs/dbraw/zinc/94/03/66/483940366.db2.gz CVHGUKJBANEHOL-JTQLQIEISA-N 0 3 367.349 -0.093 20 0 FBADHN CN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)[C@H](CN)C(F)(F)F ZINC000662979893 483939933 /nfs/dbraw/zinc/93/99/33/483939933.db2.gz CVHGUKJBANEHOL-SNVBAGLBSA-N 0 3 367.349 -0.093 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)[C@H](CN)C1 ZINC000662980176 483940337 /nfs/dbraw/zinc/94/03/37/483940337.db2.gz FDJNXIIDIBHKBA-OEAJRASXSA-N 0 3 363.462 -0.460 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCS2(=O)=O)[C@H](CN)C1 ZINC000662980201 483940126 /nfs/dbraw/zinc/94/01/26/483940126.db2.gz FLQOAJAADXMZRJ-OLZOCXBDSA-N 0 3 360.480 -0.934 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)[C@H](CN)C1 ZINC000662980245 483940265 /nfs/dbraw/zinc/94/02/65/483940265.db2.gz FTYQTSHYFDCCCP-MCIONIFRSA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)[C@H](CN)C1 ZINC000662980246 483940434 /nfs/dbraw/zinc/94/04/34/483940434.db2.gz FTYQTSHYFDCCCP-RDBSUJKOSA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)[C@H](CN)C1 ZINC000662980413 483940571 /nfs/dbraw/zinc/94/05/71/483940571.db2.gz HFXHDIZYCWUXMW-SNPRPXQTSA-N 0 3 364.450 -0.480 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)[C@H](CN)C1 ZINC000662980414 483939818 /nfs/dbraw/zinc/93/98/18/483939818.db2.gz HFXHDIZYCWUXMW-YUELXQCFSA-N 0 3 364.450 -0.480 20 0 FBADHN COCCOCCN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000662980637 483940094 /nfs/dbraw/zinc/94/00/94/483940094.db2.gz JPRCPNLUGQVRJU-CVEARBPZSA-N 0 3 370.494 -0.621 20 0 FBADHN CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H](CN)C(F)(F)F ZINC000662981632 483941839 /nfs/dbraw/zinc/94/18/39/483941839.db2.gz UXXXNYBKMUJWID-SECBINFHSA-N 0 3 361.324 -0.463 20 0 FBADHN CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H](CN)C(F)(F)F ZINC000662981633 483941236 /nfs/dbraw/zinc/94/12/36/483941236.db2.gz UXXXNYBKMUJWID-VIFPVBQESA-N 0 3 361.324 -0.463 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[C@H](CN)C1 ZINC000662982182 483942202 /nfs/dbraw/zinc/94/22/02/483942202.db2.gz BYYAALFRLWZYLR-MNOVXSKESA-N 0 3 367.479 -0.645 20 0 FBADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982824 483942319 /nfs/dbraw/zinc/94/23/19/483942319.db2.gz YFDAIQDCTHGTIH-FXUDXRNXSA-N 0 3 371.478 -0.555 20 0 FBADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982825 483941852 /nfs/dbraw/zinc/94/18/52/483941852.db2.gz YFDAIQDCTHGTIH-LVQVYYBASA-N 0 3 371.478 -0.555 20 0 FBADHN COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982826 483941879 /nfs/dbraw/zinc/94/18/79/483941879.db2.gz YFDAIQDCTHGTIH-UGUYLWEFSA-N 0 3 371.478 -0.555 20 0 FBADHN COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662982827 483942124 /nfs/dbraw/zinc/94/21/24/483942124.db2.gz YFDAIQDCTHGTIH-WCVJEAGWSA-N 0 3 371.478 -0.555 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)[C@H](CN)C1 ZINC000662983074 483941955 /nfs/dbraw/zinc/94/19/55/483941955.db2.gz IJWXQYJPVDOEMB-OCCSQVGLSA-N 0 3 374.507 -0.640 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)[C@H](CN)C1 ZINC000662983251 483942274 /nfs/dbraw/zinc/94/22/74/483942274.db2.gz IWQZJTKLZBDHEJ-OAGGEKHMSA-N 0 3 352.479 -0.247 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)[C@H](CN)C1 ZINC000662983252 483941390 /nfs/dbraw/zinc/94/13/90/483941390.db2.gz 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483941426 /nfs/dbraw/zinc/94/14/26/483941426.db2.gz XUEUFXGVGDFBEF-FRRDWIJNSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)[C@H](CN)C1 ZINC000662985278 483941515 /nfs/dbraw/zinc/94/15/15/483941515.db2.gz ZZEPEEJWMNLZOT-BNOWGMLFSA-N 0 3 351.451 -0.365 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)[C@H](CN)C1 ZINC000662985284 483941538 /nfs/dbraw/zinc/94/15/38/483941538.db2.gz ZZEPEEJWMNLZOT-XBFCOCLRSA-N 0 3 351.451 -0.365 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662985474 483942300 /nfs/dbraw/zinc/94/23/00/483942300.db2.gz VGXAFTVGUGNMOS-AGIUHOORSA-N 0 3 360.480 -0.888 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662985475 483942395 /nfs/dbraw/zinc/94/23/95/483942395.db2.gz VGXAFTVGUGNMOS-FRRDWIJNSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)[C@H](CN)C1 ZINC000662985678 483941664 /nfs/dbraw/zinc/94/16/64/483941664.db2.gz 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484213533 /nfs/dbraw/zinc/21/35/33/484213533.db2.gz OXQMYEGWOURYCJ-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668796710 484214010 /nfs/dbraw/zinc/21/40/10/484214010.db2.gz OXQMYEGWOURYCJ-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668796711 484213945 /nfs/dbraw/zinc/21/39/45/484213945.db2.gz OXQMYEGWOURYCJ-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000668797097 484214266 /nfs/dbraw/zinc/21/42/66/484214266.db2.gz WAXOVYQTVRLVHX-JTQLQIEISA-N 0 3 353.448 -0.151 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000668797098 484214250 /nfs/dbraw/zinc/21/42/50/484214250.db2.gz WAXOVYQTVRLVHX-SNVBAGLBSA-N 0 3 353.448 -0.151 20 0 FBADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000668798353 484217028 /nfs/dbraw/zinc/21/70/28/484217028.db2.gz KZKGPNCLJIMUEK-LLVKDONJSA-N 0 3 356.448 -0.345 20 0 FBADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000668798355 484216943 /nfs/dbraw/zinc/21/69/43/484216943.db2.gz KZKGPNCLJIMUEK-NSHDSACASA-N 0 3 356.448 -0.345 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)C1 ZINC000668803079 484226004 /nfs/dbraw/zinc/22/60/04/484226004.db2.gz GIDZSDUVWMNUMG-CABCVRRESA-N 0 3 373.523 -0.860 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)C1 ZINC000668803080 484225824 /nfs/dbraw/zinc/22/58/24/484225824.db2.gz GIDZSDUVWMNUMG-GJZGRUSLSA-N 0 3 373.523 -0.860 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)C1 ZINC000668803081 484225627 /nfs/dbraw/zinc/22/56/27/484225627.db2.gz GIDZSDUVWMNUMG-HUUCEWRRSA-N 0 3 373.523 -0.860 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)C1 ZINC000668803082 484225453 /nfs/dbraw/zinc/22/54/53/484225453.db2.gz GIDZSDUVWMNUMG-LSDHHAIUSA-N 0 3 373.523 -0.860 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C3(n4cnnn4)CCOCC3)CC2)C1 ZINC000668803743 484228058 /nfs/dbraw/zinc/22/80/58/484228058.db2.gz WCHAHLWSVWLLLQ-HNNXBMFYSA-N 0 3 363.466 -0.583 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C3(n4cnnn4)CCOCC3)CC2)C1 ZINC000668803744 484228075 /nfs/dbraw/zinc/22/80/75/484228075.db2.gz WCHAHLWSVWLLLQ-OAHLLOKOSA-N 0 3 363.466 -0.583 20 0 FBADHN CN(C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCNC2=O)cc1 ZINC000668811614 484241005 /nfs/dbraw/zinc/24/10/05/484241005.db2.gz BVBPXIJWXZVATC-HNNXBMFYSA-N 0 3 362.430 -0.710 20 0 FBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N(CCOCCO)C1CCC1 ZINC000668823683 484293305 /nfs/dbraw/zinc/29/33/05/484293305.db2.gz BFILPBRUODSAIF-HNNXBMFYSA-N 0 3 353.463 -0.023 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N(CCOCCO)C1CCC1 ZINC000668823686 484294018 /nfs/dbraw/zinc/29/40/18/484294018.db2.gz BFILPBRUODSAIF-OAHLLOKOSA-N 0 3 353.463 -0.023 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000668826393 484296968 /nfs/dbraw/zinc/29/69/68/484296968.db2.gz APFOOJPAVGAWSA-CVEARBPZSA-N 0 3 350.463 -0.480 20 0 FBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000668826394 484296762 /nfs/dbraw/zinc/29/67/62/484296762.db2.gz APFOOJPAVGAWSA-HOTGVXAUSA-N 0 3 350.463 -0.480 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668826395 484297638 /nfs/dbraw/zinc/29/76/38/484297638.db2.gz APFOOJPAVGAWSA-HZPDHXFCSA-N 0 3 350.463 -0.480 20 0 FBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668826396 484296558 /nfs/dbraw/zinc/29/65/58/484296558.db2.gz APFOOJPAVGAWSA-JKSUJKDBSA-N 0 3 350.463 -0.480 20 0 FBADHN CN(C[C@H]1COCCO1)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000668826803 484300955 /nfs/dbraw/zinc/30/09/55/484300955.db2.gz LTKBLNZZLZMFMH-HNNXBMFYSA-N 0 3 369.462 -0.379 20 0 FBADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000668826804 484300324 /nfs/dbraw/zinc/30/03/24/484300324.db2.gz LTKBLNZZLZMFMH-OAHLLOKOSA-N 0 3 369.462 -0.379 20 0 FBADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000668826848 484301136 /nfs/dbraw/zinc/30/11/36/484301136.db2.gz MLAGEMYNUBBTPC-CABCVRRESA-N 0 3 365.478 -0.199 20 0 FBADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000668826849 484301153 /nfs/dbraw/zinc/30/11/53/484301153.db2.gz MLAGEMYNUBBTPC-GJZGRUSLSA-N 0 3 365.478 -0.199 20 0 FBADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000668826850 484300256 /nfs/dbraw/zinc/30/02/56/484300256.db2.gz MLAGEMYNUBBTPC-HUUCEWRRSA-N 0 3 365.478 -0.199 20 0 FBADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000668826851 484299981 /nfs/dbraw/zinc/29/99/81/484299981.db2.gz MLAGEMYNUBBTPC-LSDHHAIUSA-N 0 3 365.478 -0.199 20 0 FBADHN NC(=O)c1csc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000668827480 484300984 /nfs/dbraw/zinc/30/09/84/484300984.db2.gz WCTLTTQWQKKZFF-JTQLQIEISA-N 0 3 351.432 -0.541 20 0 FBADHN NC(=O)c1csc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000668827481 484300036 /nfs/dbraw/zinc/30/00/36/484300036.db2.gz WCTLTTQWQKKZFF-SNVBAGLBSA-N 0 3 351.432 -0.541 20 0 FBADHN O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1CCC2(COC2)C1 ZINC000668828247 484300822 /nfs/dbraw/zinc/30/08/22/484300822.db2.gz YIVODNHZZJMLTI-UHFFFAOYSA-N 0 3 351.447 -0.004 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000668828790 484302517 /nfs/dbraw/zinc/30/25/17/484302517.db2.gz GYYLAQKWPYAXBT-LLVKDONJSA-N 0 3 356.448 -0.154 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000668828791 484302190 /nfs/dbraw/zinc/30/21/90/484302190.db2.gz GYYLAQKWPYAXBT-NSHDSACASA-N 0 3 356.448 -0.154 20 0 FBADHN COC1CCN(C2(CNC(=O)C(=O)N[C@H]3CCNC3=O)CCCC2)CC1 ZINC000668852887 484402880 /nfs/dbraw/zinc/40/28/80/484402880.db2.gz LFFBEUSSWGHKQO-AWEZNQCLSA-N 0 3 366.462 -0.469 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2COCCO2)CC1 ZINC000668853268 484404415 /nfs/dbraw/zinc/40/44/15/484404415.db2.gz WGLVNKAZMORHAH-HNNXBMFYSA-N 0 3 371.478 -0.134 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2COCCO2)CC1 ZINC000668853269 484404122 /nfs/dbraw/zinc/40/41/22/484404122.db2.gz WGLVNKAZMORHAH-OAHLLOKOSA-N 0 3 371.478 -0.134 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NCCc2ccoc2)CC1 ZINC000668861018 484416994 /nfs/dbraw/zinc/41/69/94/484416994.db2.gz AIMDEYSFGTWCBJ-UHFFFAOYSA-N 0 3 364.446 -0.003 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N[C@@H]2COC(C)(C)C2)CC1 ZINC000668861310 484417406 /nfs/dbraw/zinc/41/74/06/484417406.db2.gz FNUVCUQKNDHLIZ-AWEZNQCLSA-N 0 3 368.478 -0.271 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N[C@H]2COC(C)(C)C2)CC1 ZINC000668861311 484417258 /nfs/dbraw/zinc/41/72/58/484417258.db2.gz FNUVCUQKNDHLIZ-CQSZACIVSA-N 0 3 368.478 -0.271 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000668862247 484418913 /nfs/dbraw/zinc/41/89/13/484418913.db2.gz UVNHOUVWKAKPOP-HNNXBMFYSA-N 0 3 367.494 -0.744 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000668862248 484418267 /nfs/dbraw/zinc/41/82/67/484418267.db2.gz UVNHOUVWKAKPOP-OAHLLOKOSA-N 0 3 367.494 -0.744 20 0 FBADHN C[C@H](O)[C@H]1CCCN1C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000668862624 484419940 /nfs/dbraw/zinc/41/99/40/484419940.db2.gz ZUGPPAOUDLTGAH-DZGCQCFKSA-N 0 3 368.478 -0.583 20 0 FBADHN C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000668862625 484419312 /nfs/dbraw/zinc/41/93/12/484419312.db2.gz ZUGPPAOUDLTGAH-UKRRQHHQSA-N 0 3 368.478 -0.583 20 0 FBADHN CCN(C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1)[C@H]1CCN(C)C1 ZINC000668862890 484420123 /nfs/dbraw/zinc/42/01/23/484420123.db2.gz DYWOHJAFWVRQQJ-HNNXBMFYSA-N 0 3 367.494 -0.792 20 0 FBADHN CCN(C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000668862903 484419533 /nfs/dbraw/zinc/41/95/33/484419533.db2.gz DYWOHJAFWVRQQJ-OAHLLOKOSA-N 0 3 367.494 -0.792 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000668891383 483479654 /nfs/dbraw/zinc/47/96/54/483479654.db2.gz BKIOGNDGVRSINK-CVEARBPZSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000668891388 483479087 /nfs/dbraw/zinc/47/90/87/483479087.db2.gz BKIOGNDGVRSINK-HOTGVXAUSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000668891389 483478824 /nfs/dbraw/zinc/47/88/24/483478824.db2.gz BKIOGNDGVRSINK-HZPDHXFCSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000668891393 483478805 /nfs/dbraw/zinc/47/88/05/483478805.db2.gz BKIOGNDGVRSINK-JKSUJKDBSA-N 0 3 353.511 -0.415 20 0 FBADHN O=C(NCc1ccc(OCCN2CCCC2)cc1)C(=O)N[C@H]1CCNC1=O ZINC000668891544 483480453 /nfs/dbraw/zinc/48/04/53/483480453.db2.gz YKKNSTGTURPOCX-INIZCTEOSA-N 0 3 374.441 -0.218 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000668892918 483484772 /nfs/dbraw/zinc/48/47/72/483484772.db2.gz KZXQEQIGRCTRNO-DOTOQJQBSA-N 0 3 365.522 -0.128 20 0 FBADHN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000668892919 483484824 /nfs/dbraw/zinc/48/48/24/483484824.db2.gz KZXQEQIGRCTRNO-NVXWUHKLSA-N 0 3 365.522 -0.128 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000668892920 483485062 /nfs/dbraw/zinc/48/50/62/483485062.db2.gz KZXQEQIGRCTRNO-RDJZCZTQSA-N 0 3 365.522 -0.128 20 0 FBADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000668892921 483484734 /nfs/dbraw/zinc/48/47/34/483484734.db2.gz KZXQEQIGRCTRNO-WBVHZDCISA-N 0 3 365.522 -0.128 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CCN1C ZINC000668894698 483488942 /nfs/dbraw/zinc/48/89/42/483488942.db2.gz ZNGPXYRDWFOCSX-HZSPNIEDSA-N 0 3 353.467 -0.200 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CCN1C ZINC000668894699 483488913 /nfs/dbraw/zinc/48/89/13/483488913.db2.gz ZNGPXYRDWFOCSX-MCIONIFRSA-N 0 3 353.467 -0.200 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CCN1C ZINC000668894700 483488867 /nfs/dbraw/zinc/48/88/67/483488867.db2.gz ZNGPXYRDWFOCSX-MGPQQGTHSA-N 0 3 353.467 -0.200 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CCN1C ZINC000668894702 483489216 /nfs/dbraw/zinc/48/92/16/483489216.db2.gz ZNGPXYRDWFOCSX-RDBSUJKOSA-N 0 3 353.467 -0.200 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NCCCN1CCC(O)CC1 ZINC000668895497 483490754 /nfs/dbraw/zinc/49/07/54/483490754.db2.gz NAAGZLLHRCXNPN-UHFFFAOYSA-N 0 3 370.475 -0.490 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000668905174 483509873 /nfs/dbraw/zinc/50/98/73/483509873.db2.gz XAUUTRWOEJTHHR-GHMZBOCLSA-N 0 3 364.368 -0.134 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000668905176 483509776 /nfs/dbraw/zinc/50/97/76/483509776.db2.gz XAUUTRWOEJTHHR-MNOVXSKESA-N 0 3 364.368 -0.134 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000668905177 483510195 /nfs/dbraw/zinc/51/01/95/483510195.db2.gz XAUUTRWOEJTHHR-QWRGUYRKSA-N 0 3 364.368 -0.134 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000668905178 483509759 /nfs/dbraw/zinc/50/97/59/483509759.db2.gz XAUUTRWOEJTHHR-WDEREUQCSA-N 0 3 364.368 -0.134 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC4(COC4)C3)C2)CC1 ZINC000668910096 483522964 /nfs/dbraw/zinc/52/29/64/483522964.db2.gz CMGVRGCRNMVXNW-AWEZNQCLSA-N 0 3 350.463 -0.480 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC4(COC4)C3)C2)CC1 ZINC000668910097 483521823 /nfs/dbraw/zinc/52/18/23/483521823.db2.gz CMGVRGCRNMVXNW-CQSZACIVSA-N 0 3 350.463 -0.480 20 0 FBADHN Cc1cncc(CCNC(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)n1 ZINC000668910342 483522877 /nfs/dbraw/zinc/52/28/77/483522877.db2.gz GWBNFBTVFHYKSG-INIZCTEOSA-N 0 3 374.489 -0.272 20 0 FBADHN Cc1cncc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)n1 ZINC000668910344 483521870 /nfs/dbraw/zinc/52/18/70/483521870.db2.gz GWBNFBTVFHYKSG-MRXNPFEDSA-N 0 3 374.489 -0.272 20 0 FBADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910354 483522837 /nfs/dbraw/zinc/52/28/37/483522837.db2.gz GYYZXXSRCLDENK-GDBMZVCRSA-N 0 3 368.478 -0.855 20 0 FBADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910356 483523191 /nfs/dbraw/zinc/52/31/91/483523191.db2.gz GYYZXXSRCLDENK-GOEBONIOSA-N 0 3 368.478 -0.855 20 0 FBADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910357 483521589 /nfs/dbraw/zinc/52/15/89/483521589.db2.gz GYYZXXSRCLDENK-HOCLYGCPSA-N 0 3 368.478 -0.855 20 0 FBADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910359 483521928 /nfs/dbraw/zinc/52/19/28/483521928.db2.gz GYYZXXSRCLDENK-ZBFHGGJFSA-N 0 3 368.478 -0.855 20 0 FBADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N[C@H]1CCNC1=O ZINC000668910829 483524314 /nfs/dbraw/zinc/52/43/14/483524314.db2.gz LXQPZHHMQZMVKF-ZDUSSCGKSA-N 0 3 368.503 -0.141 20 0 FBADHN C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910953 483525438 /nfs/dbraw/zinc/52/54/38/483525438.db2.gz NGPYWGIDISPQPI-IIAWOOMASA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910954 483526105 /nfs/dbraw/zinc/52/61/05/483526105.db2.gz NGPYWGIDISPQPI-IJEWVQPXSA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910956 483525404 /nfs/dbraw/zinc/52/54/04/483525404.db2.gz NGPYWGIDISPQPI-OFQRWUPVSA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000668910957 483526502 /nfs/dbraw/zinc/52/65/02/483526502.db2.gz NGPYWGIDISPQPI-SQWLQELKSA-N 0 3 352.479 -0.357 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4COC[C@@H]4C3)C2)CC1 ZINC000668911290 483525303 /nfs/dbraw/zinc/52/53/03/483525303.db2.gz QTTVLEXCENFQIM-JYJNAYRXSA-N 0 3 364.490 -0.234 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4COC[C@H]4C3)C2)CC1 ZINC000668911293 483527930 /nfs/dbraw/zinc/52/79/30/483527930.db2.gz QTTVLEXCENFQIM-OAGGEKHMSA-N 0 3 364.490 -0.234 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4COC[C@@H]4C3)C2)CC1 ZINC000668911297 483527504 /nfs/dbraw/zinc/52/75/04/483527504.db2.gz QTTVLEXCENFQIM-PMPSAXMXSA-N 0 3 364.490 -0.234 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4COC[C@H]4C3)C2)CC1 ZINC000668911298 483527138 /nfs/dbraw/zinc/52/71/38/483527138.db2.gz QTTVLEXCENFQIM-XHSDSOJGSA-N 0 3 364.490 -0.234 20 0 FBADHN CCn1nccc1CNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000668911441 483527817 /nfs/dbraw/zinc/52/78/17/483527817.db2.gz SHRCPPJRQSLCDN-AWEZNQCLSA-N 0 3 362.478 -0.196 20 0 FBADHN CCn1nccc1CNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000668911443 483528346 /nfs/dbraw/zinc/52/83/46/483528346.db2.gz SHRCPPJRQSLCDN-CQSZACIVSA-N 0 3 362.478 -0.196 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCO[C@@H]3CC3(F)F)C2)CC1 ZINC000668911693 483528144 /nfs/dbraw/zinc/52/81/44/483528144.db2.gz WKYKOAQQFDEIJO-GXTWGEPZSA-N 0 3 374.432 -0.189 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCO[C@H]3CC3(F)F)C2)CC1 ZINC000668911694 483527716 /nfs/dbraw/zinc/52/77/16/483527716.db2.gz WKYKOAQQFDEIJO-JSGCOSHPSA-N 0 3 374.432 -0.189 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCO[C@H]3CC3(F)F)C2)CC1 ZINC000668911695 483527665 /nfs/dbraw/zinc/52/76/65/483527665.db2.gz WKYKOAQQFDEIJO-OCCSQVGLSA-N 0 3 374.432 -0.189 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCO[C@@H]3CC3(F)F)C2)CC1 ZINC000668911696 483527861 /nfs/dbraw/zinc/52/78/61/483527861.db2.gz WKYKOAQQFDEIJO-TZMCWYRMSA-N 0 3 374.432 -0.189 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCc4nccnc4C3)C2)CC1 ZINC000668911727 483527579 /nfs/dbraw/zinc/52/75/79/483527579.db2.gz XIJKVLPWNGFHNG-AWEZNQCLSA-N 0 3 372.473 -0.354 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCc4nccnc4C3)C2)CC1 ZINC000668911728 483528094 /nfs/dbraw/zinc/52/80/94/483528094.db2.gz XIJKVLPWNGFHNG-CQSZACIVSA-N 0 3 372.473 -0.354 20 0 FBADHN COCCC1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000668911831 483529069 /nfs/dbraw/zinc/52/90/69/483529069.db2.gz ZOWPKFMKNBMFDE-HNNXBMFYSA-N 0 3 352.479 -0.234 20 0 FBADHN COCCC1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000668911832 483528912 /nfs/dbraw/zinc/52/89/12/483528912.db2.gz ZOWPKFMKNBMFDE-OAHLLOKOSA-N 0 3 352.479 -0.234 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3COC(C)(C)C3)C2)CC1 ZINC000668913182 483535060 /nfs/dbraw/zinc/53/50/60/483535060.db2.gz YUEKMKAFQCEYDT-KBPBESRZSA-N 0 3 352.479 -0.045 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3COC(C)(C)C3)C2)CC1 ZINC000668913183 483535832 /nfs/dbraw/zinc/53/58/32/483535832.db2.gz YUEKMKAFQCEYDT-KGLIPLIRSA-N 0 3 352.479 -0.045 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3COC(C)(C)C3)C2)CC1 ZINC000668913184 483535263 /nfs/dbraw/zinc/53/52/63/483535263.db2.gz YUEKMKAFQCEYDT-UONOGXRCSA-N 0 3 352.479 -0.045 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3COC(C)(C)C3)C2)CC1 ZINC000668913185 483535286 /nfs/dbraw/zinc/53/52/86/483535286.db2.gz YUEKMKAFQCEYDT-ZIAGYGMSSA-N 0 3 352.479 -0.045 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000668934479 483592433 /nfs/dbraw/zinc/59/24/33/483592433.db2.gz ORHHYZYWOHZBKS-JTQLQIEISA-N 0 3 353.448 -0.151 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000668934481 483592297 /nfs/dbraw/zinc/59/22/97/483592297.db2.gz ORHHYZYWOHZBKS-SNVBAGLBSA-N 0 3 353.448 -0.151 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000668934943 483593353 /nfs/dbraw/zinc/59/33/53/483593353.db2.gz VRAFRKTYZIVSTO-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000668934944 483593118 /nfs/dbraw/zinc/59/31/18/483593118.db2.gz VRAFRKTYZIVSTO-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668934945 483593324 /nfs/dbraw/zinc/59/33/24/483593324.db2.gz VRAFRKTYZIVSTO-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668934946 483593180 /nfs/dbraw/zinc/59/31/80/483593180.db2.gz VRAFRKTYZIVSTO-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2C)nn1 ZINC000668935955 483594601 /nfs/dbraw/zinc/59/46/01/483594601.db2.gz GELCKTJJMOSCCN-CYBMUJFWSA-N 0 3 359.438 -0.647 20 0 FBADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2C)nn1 ZINC000668935956 483595190 /nfs/dbraw/zinc/59/51/90/483595190.db2.gz GELCKTJJMOSCCN-ZDUSSCGKSA-N 0 3 359.438 -0.647 20 0 FBADHN Cn1cc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C)nn1 ZINC000668938004 483598629 /nfs/dbraw/zinc/59/86/29/483598629.db2.gz IJSOZOUVOCAGNV-UHFFFAOYSA-N 0 3 359.438 -0.645 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cn(C)nn3)n2C)CC1 ZINC000668938343 483601666 /nfs/dbraw/zinc/60/16/66/483601666.db2.gz UHKCQFIQXKVVGP-UHFFFAOYSA-N 0 3 361.454 -0.399 20 0 FBADHN NC(=O)c1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)on1 ZINC000668956699 483662722 /nfs/dbraw/zinc/66/27/22/483662722.db2.gz BWWCVFBXJZYEBV-LLVKDONJSA-N 0 3 363.418 -0.087 20 0 FBADHN NC(=O)c1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)on1 ZINC000668956701 483662426 /nfs/dbraw/zinc/66/24/26/483662426.db2.gz BWWCVFBXJZYEBV-NSHDSACASA-N 0 3 363.418 -0.087 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000668957176 483664533 /nfs/dbraw/zinc/66/45/33/483664533.db2.gz IJHHOJOJVDGMHQ-LLVKDONJSA-N 0 3 351.407 -0.374 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000668957177 483664414 /nfs/dbraw/zinc/66/44/14/483664414.db2.gz IJHHOJOJVDGMHQ-NSHDSACASA-N 0 3 351.407 -0.374 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1(C)C ZINC000668991099 483700172 /nfs/dbraw/zinc/70/01/72/483700172.db2.gz CABWTJRSISBENO-CABCVRRESA-N 0 3 352.479 -0.377 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1(C)C ZINC000668991100 483699728 /nfs/dbraw/zinc/69/97/28/483699728.db2.gz CABWTJRSISBENO-GJZGRUSLSA-N 0 3 352.479 -0.377 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1(C)C ZINC000668991101 483699775 /nfs/dbraw/zinc/69/97/75/483699775.db2.gz CABWTJRSISBENO-HUUCEWRRSA-N 0 3 352.479 -0.377 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CC1(C)C ZINC000668991102 483699792 /nfs/dbraw/zinc/69/97/92/483699792.db2.gz CABWTJRSISBENO-LSDHHAIUSA-N 0 3 352.479 -0.377 20 0 FBADHN CCn1nccc1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000668991104 483700050 /nfs/dbraw/zinc/70/00/50/483700050.db2.gz CDGGVQWOHYJGPE-UHFFFAOYSA-N 0 3 350.467 -0.339 20 0 FBADHN CO[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000668991345 483700102 /nfs/dbraw/zinc/70/01/02/483700102.db2.gz DCCAEUYZMHINKU-CABCVRRESA-N 0 3 370.494 -0.704 20 0 FBADHN CO[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCOC1 ZINC000668991346 483699831 /nfs/dbraw/zinc/69/98/31/483699831.db2.gz DCCAEUYZMHINKU-GJZGRUSLSA-N 0 3 370.494 -0.704 20 0 FBADHN CO[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000668991347 483699799 /nfs/dbraw/zinc/69/97/99/483699799.db2.gz DCCAEUYZMHINKU-HUUCEWRRSA-N 0 3 370.494 -0.704 20 0 FBADHN CO[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCOC1 ZINC000668991348 483699708 /nfs/dbraw/zinc/69/97/08/483699708.db2.gz DCCAEUYZMHINKU-LSDHHAIUSA-N 0 3 370.494 -0.704 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCc3nccnc3C2)CC1(C)C ZINC000668991404 483700520 /nfs/dbraw/zinc/70/05/20/483700520.db2.gz FMETYKRSOKVKBJ-UHFFFAOYSA-N 0 3 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374.485 -0.182 20 0 FBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)Cc1ccccc1 ZINC000670608358 483715415 /nfs/dbraw/zinc/71/54/15/483715415.db2.gz MKATYHCGMYPRJM-ZWKOTPCHSA-N 0 3 374.485 -0.182 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1)S(C)(=O)=O ZINC000670695423 483895306 /nfs/dbraw/zinc/89/53/06/483895306.db2.gz PDJFCZNSCQQYRI-GFCCVEGCSA-N 0 3 355.460 -0.086 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1)S(C)(=O)=O ZINC000670695424 483895138 /nfs/dbraw/zinc/89/51/38/483895138.db2.gz PDJFCZNSCQQYRI-LBPRGKRZSA-N 0 3 355.460 -0.086 20 0 FBADHN COCCOCCCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000670718743 484017468 /nfs/dbraw/zinc/01/74/68/484017468.db2.gz LNXCEPGFTCWWPH-HNNXBMFYSA-N 0 3 370.494 -0.560 20 0 FBADHN COCCOCCCNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000670718744 484017549 /nfs/dbraw/zinc/01/75/49/484017549.db2.gz LNXCEPGFTCWWPH-OAHLLOKOSA-N 0 3 370.494 -0.560 20 0 FBADHN COCCOCCCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000670718827 484018280 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O=C(NCc1nnc2n1CCC2)C(=O)N1CCN(c2ccncc2)CC1 ZINC000670775955 484135230 /nfs/dbraw/zinc/13/52/30/484135230.db2.gz KSDSQOFQUGVVNJ-UHFFFAOYSA-N 0 3 355.402 -0.416 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1N1CCOCC1 ZINC000670783728 484194619 /nfs/dbraw/zinc/19/46/19/484194619.db2.gz YBVSDKQBHSYIKH-PBHICJAKSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1N1CCOCC1 ZINC000670783729 484194351 /nfs/dbraw/zinc/19/43/51/484194351.db2.gz YBVSDKQBHSYIKH-RHSMWYFYSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1N1CCOCC1 ZINC000670783730 484195031 /nfs/dbraw/zinc/19/50/31/484195031.db2.gz YBVSDKQBHSYIKH-WMLDXEAASA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1N1CCOCC1 ZINC000670783731 484194369 /nfs/dbraw/zinc/19/43/69/484194369.db2.gz YBVSDKQBHSYIKH-YOEHRIQHSA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCN(C)C3)cn2)CC1 ZINC000670786772 484236158 /nfs/dbraw/zinc/23/61/58/484236158.db2.gz DULGKMNZCZUFQE-INIZCTEOSA-N 0 3 374.489 -0.340 20 0 FBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCN(C)C3)cn2)CC1 ZINC000670786773 484234405 /nfs/dbraw/zinc/23/44/05/484234405.db2.gz DULGKMNZCZUFQE-MRXNPFEDSA-N 0 3 374.489 -0.340 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)n[nH]1 ZINC000670833882 483902046 /nfs/dbraw/zinc/90/20/46/483902046.db2.gz NTFSUNWZKRUMSQ-HNNXBMFYSA-N 0 3 350.467 -0.277 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)[nH]n1 ZINC000670833882 483902044 /nfs/dbraw/zinc/90/20/44/483902044.db2.gz NTFSUNWZKRUMSQ-HNNXBMFYSA-N 0 3 350.467 -0.277 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)n[nH]1 ZINC000670833883 483901960 /nfs/dbraw/zinc/90/19/60/483901960.db2.gz NTFSUNWZKRUMSQ-OAHLLOKOSA-N 0 3 350.467 -0.277 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)[nH]n1 ZINC000670833883 483901958 /nfs/dbraw/zinc/90/19/58/483901958.db2.gz NTFSUNWZKRUMSQ-OAHLLOKOSA-N 0 3 350.467 -0.277 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1)N1CCN(C)CC1 ZINC000670834012 483902389 /nfs/dbraw/zinc/90/23/89/483902389.db2.gz FFLMXMJVUJVEBK-CVEARBPZSA-N 0 3 353.511 -0.415 20 0 FBADHN CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1)N1CCN(C)CC1 ZINC000670834013 483902360 /nfs/dbraw/zinc/90/23/60/483902360.db2.gz FFLMXMJVUJVEBK-HOTGVXAUSA-N 0 3 353.511 -0.415 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1)N1CCN(C)CC1 ZINC000670834014 483901949 /nfs/dbraw/zinc/90/19/49/483901949.db2.gz FFLMXMJVUJVEBK-HZPDHXFCSA-N 0 3 353.511 -0.415 20 0 FBADHN CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1)N1CCN(C)CC1 ZINC000670834015 483902381 /nfs/dbraw/zinc/90/23/81/483902381.db2.gz FFLMXMJVUJVEBK-JKSUJKDBSA-N 0 3 353.511 -0.415 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)C[C@@H]1N(C)C ZINC000670835759 483904425 /nfs/dbraw/zinc/90/44/25/483904425.db2.gz QKNBLFSYSAZVDA-DOMZBBRYSA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)C[C@H]1N(C)C ZINC000670835760 483904710 /nfs/dbraw/zinc/90/47/10/483904710.db2.gz QKNBLFSYSAZVDA-IUODEOHRSA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)C[C@H]1N(C)C ZINC000670835761 483904368 /nfs/dbraw/zinc/90/43/68/483904368.db2.gz QKNBLFSYSAZVDA-SWLSCSKDSA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)C[C@@H]1N(C)C ZINC000670835762 483904968 /nfs/dbraw/zinc/90/49/68/483904968.db2.gz QKNBLFSYSAZVDA-WFASDCNBSA-N 0 3 350.463 -0.088 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCc3cccnc3)CC2)C1 ZINC000670836388 483908705 /nfs/dbraw/zinc/90/87/05/483908705.db2.gz BMUHKYGBGQHAST-KRWDZBQOSA-N 0 3 359.474 -0.021 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCc3cccnc3)CC2)C1 ZINC000670836389 483908854 /nfs/dbraw/zinc/90/88/54/483908854.db2.gz BMUHKYGBGQHAST-QGZVFWFLSA-N 0 3 359.474 -0.021 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000670850169 483972547 /nfs/dbraw/zinc/97/25/47/483972547.db2.gz SPCSKJAWODZYEH-UHFFFAOYSA-N 0 3 359.456 -0.822 20 0 FBADHN CN(C)C1CN(c2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)C1 ZINC000670850787 483975542 /nfs/dbraw/zinc/97/55/42/483975542.db2.gz JMUWYBXQSMEBAK-UHFFFAOYSA-N 0 3 362.477 -0.666 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCCn3cccn3)CC2)C1 ZINC000670873480 484271264 /nfs/dbraw/zinc/27/12/64/484271264.db2.gz BOKQEQDHGLHJQF-INIZCTEOSA-N 0 3 362.478 -0.372 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCn3cccn3)CC2)C1 ZINC000670873481 484270917 /nfs/dbraw/zinc/27/09/17/484270917.db2.gz BOKQEQDHGLHJQF-MRXNPFEDSA-N 0 3 362.478 -0.372 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCCn3cccn3)C2)CC1 ZINC000670873547 484271215 /nfs/dbraw/zinc/27/12/15/484271215.db2.gz UINQVTQYCJAJCK-HNNXBMFYSA-N 0 3 362.478 -0.326 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCn3cccn3)C2)CC1 ZINC000670873548 484271402 /nfs/dbraw/zinc/27/14/02/484271402.db2.gz UINQVTQYCJAJCK-OAHLLOKOSA-N 0 3 362.478 -0.326 20 0 FBADHN CCc1cc(CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)on1 ZINC000670877954 484282157 /nfs/dbraw/zinc/28/21/57/484282157.db2.gz OHBQESMNJLGVSS-UHFFFAOYSA-N 0 3 351.451 -0.005 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N(CCO)CC(C)(C)C)CC1 ZINC000670877963 484282222 /nfs/dbraw/zinc/28/22/22/484282222.db2.gz PVNNGXFGQZKJIE-UHFFFAOYSA-N 0 3 356.511 -0.004 20 0 FBADHN COc1cccc(CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)n1 ZINC000670878086 484281638 /nfs/dbraw/zinc/28/16/38/484281638.db2.gz ZNAPGQSVNNVNDS-UHFFFAOYSA-N 0 3 363.462 -0.151 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)NCc2ccc(F)cn2)CC1 ZINC000670878167 484281851 /nfs/dbraw/zinc/28/18/51/484281851.db2.gz ZPZXCBVMNBVHMQ-UHFFFAOYSA-N 0 3 351.426 -0.021 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1 ZINC000670878181 484281566 /nfs/dbraw/zinc/28/15/66/484281566.db2.gz FSSWIJGUCYVWGC-GOSISDBHSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)CCN1CCC(NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1 ZINC000670878182 484281814 /nfs/dbraw/zinc/28/18/14/484281814.db2.gz FSSWIJGUCYVWGC-SFHVURJKSA-N 0 3 352.479 -0.232 20 0 FBADHN CC(C)C[C@@H](CO)N(C)C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000670878220 484282177 /nfs/dbraw/zinc/28/21/77/484282177.db2.gz OFEGXIFCIQZZBH-INIZCTEOSA-N 0 3 356.511 -0.006 20 0 FBADHN CC(C)C[C@H](CO)N(C)C(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000670878221 484282137 /nfs/dbraw/zinc/28/21/37/484282137.db2.gz OFEGXIFCIQZZBH-MRXNPFEDSA-N 0 3 356.511 -0.006 20 0 FBADHN Cc1cn2c(n1)CN(C(=O)C(=O)NC1CCN(CCN(C)C)CC1)CC2 ZINC000670878336 484282230 /nfs/dbraw/zinc/28/22/30/484282230.db2.gz XYBIKTODMYRJLZ-UHFFFAOYSA-N 0 3 362.478 -0.324 20 0 FBADHN CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCCN(C)C3)ccn2)CC1 ZINC000670892434 484314896 /nfs/dbraw/zinc/31/48/96/484314896.db2.gz XMALWHZCETXXCN-INIZCTEOSA-N 0 3 374.489 -0.340 20 0 FBADHN CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCCN(C)C3)ccn2)CC1 ZINC000670892435 484315592 /nfs/dbraw/zinc/31/55/92/484315592.db2.gz XMALWHZCETXXCN-MRXNPFEDSA-N 0 3 374.489 -0.340 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000670967292 484253165 /nfs/dbraw/zinc/25/31/65/484253165.db2.gz PADXDZDUDAKDHH-HNNXBMFYSA-N 0 3 367.494 -0.743 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000670967293 484252663 /nfs/dbraw/zinc/25/26/63/484252663.db2.gz PADXDZDUDAKDHH-OAHLLOKOSA-N 0 3 367.494 -0.743 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CCN1C ZINC000670967458 484253288 /nfs/dbraw/zinc/25/32/88/484253288.db2.gz ALTREUIVRIIOCY-CABCVRRESA-N 0 3 367.494 -0.792 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CCN1C ZINC000670967459 484252371 /nfs/dbraw/zinc/25/23/71/484252371.db2.gz ALTREUIVRIIOCY-GJZGRUSLSA-N 0 3 367.494 -0.792 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CCN1C ZINC000670967460 484252264 /nfs/dbraw/zinc/25/22/64/484252264.db2.gz ALTREUIVRIIOCY-HUUCEWRRSA-N 0 3 367.494 -0.792 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CCN1C ZINC000670967461 484252191 /nfs/dbraw/zinc/25/21/91/484252191.db2.gz ALTREUIVRIIOCY-LSDHHAIUSA-N 0 3 367.494 -0.792 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCCC12CCN(C)CC2)N1CCOCC1 ZINC000670974751 484277025 /nfs/dbraw/zinc/27/70/25/484277025.db2.gz ACLNTPWSUKDNQG-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCCC12CCN(C)CC2)N1CCOCC1 ZINC000670974752 484278059 /nfs/dbraw/zinc/27/80/59/484278059.db2.gz ACLNTPWSUKDNQG-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN O=C(NCCNC(=O)c1cccnc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670977767 484283865 /nfs/dbraw/zinc/28/38/65/484283865.db2.gz CQHCLSXLGBQMAS-HNNXBMFYSA-N 0 3 359.430 -0.472 20 0 FBADHN O=C(NCCNC(=O)c1cccnc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670977768 484284980 /nfs/dbraw/zinc/28/49/80/484284980.db2.gz CQHCLSXLGBQMAS-OAHLLOKOSA-N 0 3 359.430 -0.472 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000670977805 484285902 /nfs/dbraw/zinc/28/59/02/484285902.db2.gz LAFNSBMQGYWXAI-HNNXBMFYSA-N 0 3 361.446 -0.082 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000670977806 484285932 /nfs/dbraw/zinc/28/59/32/484285932.db2.gz LAFNSBMQGYWXAI-OAHLLOKOSA-N 0 3 361.446 -0.082 20 0 FBADHN O=C(CN1CCC[C@H](N2CCOCC2)CC1)NCC(=O)N1CCCC1 ZINC000670985534 660241525 /nfs/dbraw/zinc/24/15/25/660241525.db2.gz CHMOFWIHANWRKL-INIZCTEOSA-N 0 3 352.479 -0.088 20 0 FBADHN O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NCC(=O)N1CCCC1 ZINC000670985535 660241580 /nfs/dbraw/zinc/24/15/80/660241580.db2.gz CHMOFWIHANWRKL-MRXNPFEDSA-N 0 3 352.479 -0.088 20 0 FBADHN CC1(C)NC(=O)N(CCN2CCC(n3cnc(C(N)=O)c3N)CC2)C1=O ZINC000670988239 484473472 /nfs/dbraw/zinc/47/34/72/484473472.db2.gz SMPGEFDHAACLKS-UHFFFAOYSA-N 0 3 363.422 -0.469 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000670999406 484497976 /nfs/dbraw/zinc/49/79/76/484497976.db2.gz QTSCJHVUGPNHCT-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000670999407 484497072 /nfs/dbraw/zinc/49/70/72/484497072.db2.gz QTSCJHVUGPNHCT-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000670999408 484497366 /nfs/dbraw/zinc/49/73/66/484497366.db2.gz QTSCJHVUGPNHCT-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000670999409 484497966 /nfs/dbraw/zinc/49/79/66/484497966.db2.gz QTSCJHVUGPNHCT-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000670999447 484497393 /nfs/dbraw/zinc/49/73/93/484497393.db2.gz VKUIHBGOLIAQBF-HNNXBMFYSA-N 0 3 361.446 -0.433 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000670999448 484497608 /nfs/dbraw/zinc/49/76/08/484497608.db2.gz VKUIHBGOLIAQBF-OAHLLOKOSA-N 0 3 361.446 -0.433 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000670999705 484501018 /nfs/dbraw/zinc/50/10/18/484501018.db2.gz QIDBVHLRFNPEIB-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000670999706 484501710 /nfs/dbraw/zinc/50/17/10/484501710.db2.gz QIDBVHLRFNPEIB-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN O=C(NCCCCN1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671032009 484552476 /nfs/dbraw/zinc/55/24/76/484552476.db2.gz UDLTYZQNWAWNKG-INIZCTEOSA-N 0 3 352.479 -0.185 20 0 FBADHN O=C(NCCCCN1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671032010 484552522 /nfs/dbraw/zinc/55/25/22/484552522.db2.gz UDLTYZQNWAWNKG-MRXNPFEDSA-N 0 3 352.479 -0.185 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N(CCO)CC(C)(C)C)CC1 ZINC000671032980 484556198 /nfs/dbraw/zinc/55/61/98/484556198.db2.gz XECNUUHETVBPGH-UHFFFAOYSA-N 0 3 356.511 -0.003 20 0 FBADHN CC1=CCN(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000671033280 484556327 /nfs/dbraw/zinc/55/63/27/484556327.db2.gz HKWKWZLANBGMEY-UHFFFAOYSA-N 0 3 365.522 -0.102 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000671034313 484559662 /nfs/dbraw/zinc/55/96/62/484559662.db2.gz FQYTVHLNTMPXIB-UHFFFAOYSA-N 0 3 362.478 -0.172 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC000671034734 484560658 /nfs/dbraw/zinc/56/06/58/484560658.db2.gz VSLOASNAEXZGIN-INIZCTEOSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC000671034735 484561201 /nfs/dbraw/zinc/56/12/01/484561201.db2.gz VSLOASNAEXZGIN-MRXNPFEDSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000671034740 484561593 /nfs/dbraw/zinc/56/15/93/484561593.db2.gz VZGFUFYWYKHRFH-INIZCTEOSA-N 0 3 353.511 -0.269 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000671034741 484561049 /nfs/dbraw/zinc/56/10/49/484561049.db2.gz VZGFUFYWYKHRFH-MRXNPFEDSA-N 0 3 353.511 -0.269 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000671036366 483903238 /nfs/dbraw/zinc/90/32/38/483903238.db2.gz URJCMYJBBQXWHI-HNNXBMFYSA-N 0 3 367.494 -0.743 20 0 FBADHN CCN1CCN(CCCCNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000671036367 483903309 /nfs/dbraw/zinc/90/33/09/483903309.db2.gz URJCMYJBBQXWHI-OAHLLOKOSA-N 0 3 367.494 -0.743 20 0 FBADHN Cc1[nH]ncc1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000671059169 483912576 /nfs/dbraw/zinc/91/25/76/483912576.db2.gz XUWZGCNGJJZLLD-UHFFFAOYSA-N 0 3 372.433 -0.937 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000671060119 483911654 /nfs/dbraw/zinc/91/16/54/483911654.db2.gz AIUDZPJBBVEALF-AWEZNQCLSA-N 0 3 367.494 -0.696 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000671060120 483912189 /nfs/dbraw/zinc/91/21/89/483912189.db2.gz AIUDZPJBBVEALF-CQSZACIVSA-N 0 3 367.494 -0.696 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cc(C)on2)CC1 ZINC000671070341 483956026 /nfs/dbraw/zinc/95/60/26/483956026.db2.gz IKBRBUWWWRXTRC-CYBMUJFWSA-N 0 3 351.451 -0.011 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cc(C)on2)CC1 ZINC000671070342 483956306 /nfs/dbraw/zinc/95/63/06/483956306.db2.gz IKBRBUWWWRXTRC-ZDUSSCGKSA-N 0 3 351.451 -0.011 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)CCO2 ZINC000671070733 483963149 /nfs/dbraw/zinc/96/31/49/483963149.db2.gz FGFBKOAQNKVQRZ-IAOVAPTHSA-N 0 3 371.503 -0.054 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)CCO2 ZINC000671070734 483963915 /nfs/dbraw/zinc/96/39/15/483963915.db2.gz FGFBKOAQNKVQRZ-JQFCIGGWSA-N 0 3 371.503 -0.054 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)CCO2 ZINC000671070735 483962722 /nfs/dbraw/zinc/96/27/22/483962722.db2.gz FGFBKOAQNKVQRZ-RRQGHBQHSA-N 0 3 371.503 -0.054 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)CCO2 ZINC000671070736 483963481 /nfs/dbraw/zinc/96/34/81/483963481.db2.gz FGFBKOAQNKVQRZ-XKQJLSEDSA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CCSC1 ZINC000671070825 483966086 /nfs/dbraw/zinc/96/60/86/483966086.db2.gz BCHXLBHAAAHWIE-CPUCHLNUSA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CCSC1 ZINC000671070826 483965913 /nfs/dbraw/zinc/96/59/13/483965913.db2.gz BCHXLBHAAAHWIE-KEYYUXOJSA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CCSC1 ZINC000671070827 483966175 /nfs/dbraw/zinc/96/61/75/483966175.db2.gz BCHXLBHAAAHWIE-VBQJREDUSA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CCSC1 ZINC000671070828 483965899 /nfs/dbraw/zinc/96/58/99/483965899.db2.gz BCHXLBHAAAHWIE-ZQIUZPCESA-N 0 3 371.503 -0.054 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCOC[C@@H]2CCCO2)CCSC1 ZINC000671070831 483966525 /nfs/dbraw/zinc/96/65/25/483966525.db2.gz CAAGBQPAJJXTEL-BBRMVZONSA-N 0 3 359.492 -0.148 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCOC[C@H]2CCCO2)CCSC1 ZINC000671070832 483965829 /nfs/dbraw/zinc/96/58/29/483965829.db2.gz CAAGBQPAJJXTEL-CJNGLKHVSA-N 0 3 359.492 -0.148 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCOC[C@H]2CCCO2)CCSC1 ZINC000671070833 483965311 /nfs/dbraw/zinc/96/53/11/483965311.db2.gz CAAGBQPAJJXTEL-CZUORRHYSA-N 0 3 359.492 -0.148 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCOC[C@@H]2CCCO2)CCSC1 ZINC000671070834 483965366 /nfs/dbraw/zinc/96/53/66/483965366.db2.gz CAAGBQPAJJXTEL-XJKSGUPXSA-N 0 3 359.492 -0.148 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCOC[C@H]2CCOC2)CCSC1 ZINC000671070891 483966102 /nfs/dbraw/zinc/96/61/02/483966102.db2.gz NIEYEECFTXAANB-BBRMVZONSA-N 0 3 359.492 -0.291 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CCSC1 ZINC000671070892 483965135 /nfs/dbraw/zinc/96/51/35/483965135.db2.gz NIEYEECFTXAANB-CJNGLKHVSA-N 0 3 359.492 -0.291 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CCSC1 ZINC000671070893 483965840 /nfs/dbraw/zinc/96/58/40/483965840.db2.gz NIEYEECFTXAANB-CZUORRHYSA-N 0 3 359.492 -0.291 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCOC[C@H]2CCOC2)CCSC1 ZINC000671070895 483966600 /nfs/dbraw/zinc/96/66/00/483966600.db2.gz NIEYEECFTXAANB-XJKSGUPXSA-N 0 3 359.492 -0.291 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N(CCO)C2CCOCC2)CCSC1 ZINC000671071093 483968156 /nfs/dbraw/zinc/96/81/56/483968156.db2.gz DUOJEJJDFWTIKQ-INIZCTEOSA-N 0 3 359.492 -0.460 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N(CCO)C2CCOCC2)CCSC1 ZINC000671071094 483968508 /nfs/dbraw/zinc/96/85/08/483968508.db2.gz DUOJEJJDFWTIKQ-MRXNPFEDSA-N 0 3 359.492 -0.460 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCC(C)(C)N2CCOCC2)CCSC1 ZINC000671071097 483968351 /nfs/dbraw/zinc/96/83/51/483968351.db2.gz GOLOXOCUYVVGNC-KRWDZBQOSA-N 0 3 372.535 -0.233 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCC(C)(C)N2CCOCC2)CCSC1 ZINC000671071098 483968603 /nfs/dbraw/zinc/96/86/03/483968603.db2.gz GOLOXOCUYVVGNC-QGZVFWFLSA-N 0 3 372.535 -0.233 20 0 FBADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000671071137 483971789 /nfs/dbraw/zinc/97/17/89/483971789.db2.gz DFDTYSKCAUVTOA-BBRMVZONSA-N 0 3 358.508 -0.623 20 0 FBADHN COC1(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCOCC1 ZINC000671071140 483972784 /nfs/dbraw/zinc/97/27/84/483972784.db2.gz KBDKOKSOQMNVRB-HNNXBMFYSA-N 0 3 359.492 -0.148 20 0 FBADHN COC1(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCOCC1 ZINC000671071141 483972875 /nfs/dbraw/zinc/97/28/75/483972875.db2.gz KBDKOKSOQMNVRB-OAHLLOKOSA-N 0 3 359.492 -0.148 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000671071142 483972524 /nfs/dbraw/zinc/97/25/24/483972524.db2.gz 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C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671798905 484391446 /nfs/dbraw/zinc/39/14/46/484391446.db2.gz OXXMOTOUJFUZBV-CQSZACIVSA-N 0 3 359.430 -0.143 20 0 FBADHN CNC(=O)C1CCC(NC(=O)C(=O)NCCN(C)CCCOC)CC1 ZINC000671809566 483893236 /nfs/dbraw/zinc/89/32/36/483893236.db2.gz HZUIZCASFSWPIS-UHFFFAOYSA-N 0 3 356.467 -0.508 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000671816963 483443062 /nfs/dbraw/zinc/44/30/62/483443062.db2.gz HWPLXWBWSIGMSG-DOTOQJQBSA-N 0 3 363.506 -0.422 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000671816964 483446241 /nfs/dbraw/zinc/44/62/41/483446241.db2.gz HWPLXWBWSIGMSG-NVXWUHKLSA-N 0 3 363.506 -0.422 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000671816965 483446265 /nfs/dbraw/zinc/44/62/65/483446265.db2.gz HWPLXWBWSIGMSG-RDJZCZTQSA-N 0 3 363.506 -0.422 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000671816966 483445631 /nfs/dbraw/zinc/44/56/31/483445631.db2.gz HWPLXWBWSIGMSG-WBVHZDCISA-N 0 3 363.506 -0.422 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000671817112 483593247 /nfs/dbraw/zinc/59/32/47/483593247.db2.gz VXELNYRRWVLAKU-AWEZNQCLSA-N 0 3 352.479 -0.092 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000671817113 483594331 /nfs/dbraw/zinc/59/43/31/483594331.db2.gz VXELNYRRWVLAKU-CQSZACIVSA-N 0 3 352.479 -0.092 20 0 FBADHN O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000671817357 483795178 /nfs/dbraw/zinc/79/51/78/483795178.db2.gz YOUZUZXPHRJLOO-AWEZNQCLSA-N 0 3 350.463 -0.338 20 0 FBADHN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000671817358 483794912 /nfs/dbraw/zinc/79/49/12/483794912.db2.gz YOUZUZXPHRJLOO-CQSZACIVSA-N 0 3 350.463 -0.338 20 0 FBADHN CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCn2ncnc2C1 ZINC000671821830 483912293 /nfs/dbraw/zinc/91/22/93/483912293.db2.gz MPMDURWTKMACCG-UHFFFAOYSA-N 0 3 372.429 -0.123 20 0 FBADHN 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/nfs/dbraw/zinc/60/38/76/484603876.db2.gz WLZRFVNXNYLJHV-ZDUSSCGKSA-N 0 3 374.507 -0.769 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCOCC3CC3)C2)CC1 ZINC000671884165 483624009 /nfs/dbraw/zinc/62/40/09/483624009.db2.gz IEXSJJKVIKASDD-HNNXBMFYSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCOCC3CC3)C2)CC1 ZINC000671884166 483623451 /nfs/dbraw/zinc/62/34/51/483623451.db2.gz IEXSJJKVIKASDD-OAHLLOKOSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCOCC3CC3)CC2)C1 ZINC000671884167 483623507 /nfs/dbraw/zinc/62/35/07/483623507.db2.gz IPFWUCPWTRRXRM-INIZCTEOSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCOCC3CC3)CC2)C1 ZINC000671884168 483623108 /nfs/dbraw/zinc/62/31/08/483623108.db2.gz IPFWUCPWTRRXRM-MRXNPFEDSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671908528 484604133 /nfs/dbraw/zinc/60/41/33/484604133.db2.gz SXPUTEFWPHAGAV-UHFFFAOYSA-N 0 3 350.410 -0.474 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671909529 484605250 /nfs/dbraw/zinc/60/52/50/484605250.db2.gz RDZKZVGKWJRTAE-UHFFFAOYSA-N 0 3 364.437 -0.131 20 0 FBADHN C[C@@H](O)CN(C)C(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000671912404 484605214 /nfs/dbraw/zinc/60/52/14/484605214.db2.gz QGDVABHGURNPEE-CYBMUJFWSA-N 0 3 364.446 -0.567 20 0 FBADHN C[C@H](O)CN(C)C(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000671912405 483829218 /nfs/dbraw/zinc/82/92/18/483829218.db2.gz QGDVABHGURNPEE-ZDUSSCGKSA-N 0 3 364.446 -0.567 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCOC2)c1 ZINC000671912409 484604684 /nfs/dbraw/zinc/60/46/84/484604684.db2.gz RJTRAUFHNINIJL-HNNXBMFYSA-N 0 3 362.430 -0.501 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCOC2)c1 ZINC000671912413 484605316 /nfs/dbraw/zinc/60/53/16/484605316.db2.gz RJTRAUFHNINIJL-OAHLLOKOSA-N 0 3 362.430 -0.501 20 0 FBADHN COc1cccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n1 ZINC000671917900 484605307 /nfs/dbraw/zinc/60/53/07/484605307.db2.gz 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C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000671934998 483411657 /nfs/dbraw/zinc/41/16/57/483411657.db2.gz PETRWTJIRZFBCP-LSDHHAIUSA-N 0 3 363.466 -0.979 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cscn1 ZINC000671954502 484606285 /nfs/dbraw/zinc/60/62/85/484606285.db2.gz ASXSJHGSSYIQMO-CYBMUJFWSA-N 0 3 367.475 -0.182 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cscn1 ZINC000671954503 484606545 /nfs/dbraw/zinc/60/65/45/484606545.db2.gz ASXSJHGSSYIQMO-ZDUSSCGKSA-N 0 3 367.475 -0.182 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cscn2)CC1 ZINC000671954689 484605890 /nfs/dbraw/zinc/60/58/90/484605890.db2.gz PBNJIJBMXMGORB-CYBMUJFWSA-N 0 3 365.459 -0.476 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cscn2)CC1 ZINC000671954690 484605719 /nfs/dbraw/zinc/60/57/19/484605719.db2.gz PBNJIJBMXMGORB-ZDUSSCGKSA-N 0 3 365.459 -0.476 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cscn3)CC2)C1 ZINC000671958100 484605764 /nfs/dbraw/zinc/60/57/64/484605764.db2.gz 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ZINC000671960239 484607149 /nfs/dbraw/zinc/60/71/49/484607149.db2.gz XVDNOLGGXCFTPR-HOCLYGCPSA-N 0 3 352.479 -0.329 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)CN1CCOCC1 ZINC000671960240 484608027 /nfs/dbraw/zinc/60/80/27/484608027.db2.gz XVDNOLGGXCFTPR-ZBFHGGJFSA-N 0 3 352.479 -0.329 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000671962584 483578836 /nfs/dbraw/zinc/57/88/36/483578836.db2.gz AWWAZDDMPVVCES-INIZCTEOSA-N 0 3 362.478 -0.454 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000671962585 483579098 /nfs/dbraw/zinc/57/90/98/483579098.db2.gz AWWAZDDMPVVCES-MRXNPFEDSA-N 0 3 362.478 -0.454 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000671962641 483578878 /nfs/dbraw/zinc/57/88/78/483578878.db2.gz ZCURTOWBPFYXPR-HNNXBMFYSA-N 0 3 362.478 -0.408 20 0 FBADHN Cc1nccn1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671962641 483578870 /nfs/dbraw/zinc/57/88/70/483578870.db2.gz ZCURTOWBPFYXPR-HNNXBMFYSA-N 0 3 362.478 -0.408 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O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CCOC1 ZINC000672001910 484610277 /nfs/dbraw/zinc/61/02/77/484610277.db2.gz YXXQBOGYYSTNGY-HNNXBMFYSA-N 0 3 361.446 -0.385 20 0 FBADHN O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CCOC1 ZINC000672001911 484611038 /nfs/dbraw/zinc/61/10/38/484611038.db2.gz YXXQBOGYYSTNGY-OAHLLOKOSA-N 0 3 361.446 -0.385 20 0 FBADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000672057407 484612925 /nfs/dbraw/zinc/61/29/25/484612925.db2.gz SMCPGDQDKPHGCG-CABCVRRESA-N 0 3 370.494 -0.120 20 0 FBADHN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000672057408 484613044 /nfs/dbraw/zinc/61/30/44/484613044.db2.gz SMCPGDQDKPHGCG-GJZGRUSLSA-N 0 3 370.494 -0.120 20 0 FBADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000672057409 484612499 /nfs/dbraw/zinc/61/24/99/484612499.db2.gz SMCPGDQDKPHGCG-HUUCEWRRSA-N 0 3 370.494 -0.120 20 0 FBADHN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000672057410 484613470 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C[C@@H]1COCCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672110831 484617564 /nfs/dbraw/zinc/61/75/64/484617564.db2.gz SKBMJLRVWAACLM-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672110834 484617586 /nfs/dbraw/zinc/61/75/86/484617586.db2.gz SKBMJLRVWAACLM-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110835 484617177 /nfs/dbraw/zinc/61/71/77/484617177.db2.gz SKBMJLRVWAACLM-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110836 484617086 /nfs/dbraw/zinc/61/70/86/484617086.db2.gz SKBMJLRVWAACLM-LSDHHAIUSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCCOCC1 ZINC000672110886 484617063 /nfs/dbraw/zinc/61/70/63/484617063.db2.gz PAMBGMNRYXOOSY-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCCOCC1 ZINC000672110888 484617637 /nfs/dbraw/zinc/61/76/37/484617637.db2.gz PAMBGMNRYXOOSY-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n[nH]1 ZINC000672111094 484617681 /nfs/dbraw/zinc/61/76/81/484617681.db2.gz TUTYCSAPNVAVKR-AWEZNQCLSA-N 0 3 364.450 -0.607 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[nH]n1 ZINC000672111094 484617675 /nfs/dbraw/zinc/61/76/75/484617675.db2.gz TUTYCSAPNVAVKR-AWEZNQCLSA-N 0 3 364.450 -0.607 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n[nH]1 ZINC000672111095 484617542 /nfs/dbraw/zinc/61/75/42/484617542.db2.gz TUTYCSAPNVAVKR-CQSZACIVSA-N 0 3 364.450 -0.607 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[nH]n1 ZINC000672111095 484617536 /nfs/dbraw/zinc/61/75/36/484617536.db2.gz TUTYCSAPNVAVKR-CQSZACIVSA-N 0 3 364.450 -0.607 20 0 FBADHN CC(C)OCCNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111184 484616879 /nfs/dbraw/zinc/61/68/79/484616879.db2.gz VNWWFMDGNLEWBL-AWEZNQCLSA-N 0 3 356.467 -0.414 20 0 FBADHN CC(C)OCCNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111185 484617705 /nfs/dbraw/zinc/61/77/05/484617705.db2.gz VNWWFMDGNLEWBL-CQSZACIVSA-N 0 3 356.467 -0.414 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111200 484616614 /nfs/dbraw/zinc/61/66/14/484616614.db2.gz FHCCZDOSOHHHGP-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111201 484617333 /nfs/dbraw/zinc/61/73/33/484617333.db2.gz FHCCZDOSOHHHGP-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111202 484617040 /nfs/dbraw/zinc/61/70/40/484617040.db2.gz FHCCZDOSOHHHGP-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111203 484618012 /nfs/dbraw/zinc/61/80/12/484618012.db2.gz FHCCZDOSOHHHGP-LSDHHAIUSA-N 0 3 368.478 -0.317 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000672111598 484616785 /nfs/dbraw/zinc/61/67/85/484616785.db2.gz GMTMLSIINAJPNM-CABCVRRESA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000672111599 484618116 /nfs/dbraw/zinc/61/81/16/484618116.db2.gz GMTMLSIINAJPNM-GJZGRUSLSA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000672111600 484616680 /nfs/dbraw/zinc/61/66/80/484616680.db2.gz GMTMLSIINAJPNM-HUUCEWRRSA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000672111601 484617258 /nfs/dbraw/zinc/61/72/58/484617258.db2.gz GMTMLSIINAJPNM-LSDHHAIUSA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@H](O)C1CC1 ZINC000672111606 484617972 /nfs/dbraw/zinc/61/79/72/484617972.db2.gz IFOZLRBVAXBXSF-CABCVRRESA-N 0 3 368.478 -0.725 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@H](O)C1CC1 ZINC000672111607 484618062 /nfs/dbraw/zinc/61/80/62/484618062.db2.gz IFOZLRBVAXBXSF-GJZGRUSLSA-N 0 3 368.478 -0.725 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000672111608 484616704 /nfs/dbraw/zinc/61/67/04/484616704.db2.gz IFOZLRBVAXBXSF-HUUCEWRRSA-N 0 3 368.478 -0.725 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000672111609 484617806 /nfs/dbraw/zinc/61/78/06/484617806.db2.gz IFOZLRBVAXBXSF-LSDHHAIUSA-N 0 3 368.478 -0.725 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000672158733 484618981 /nfs/dbraw/zinc/61/89/81/484618981.db2.gz QKUIGJKPNRBLSY-UHFFFAOYSA-N 0 3 373.483 -0.386 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000672163306 484619357 /nfs/dbraw/zinc/61/93/57/484619357.db2.gz GINHITDGTPXRHM-LLVKDONJSA-N 0 3 373.483 -0.386 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](NS(C)(=O)=O)C2)n1 ZINC000672163307 484619272 /nfs/dbraw/zinc/61/92/72/484619272.db2.gz GINHITDGTPXRHM-NSHDSACASA-N 0 3 373.483 -0.386 20 0 FBADHN CC(C)Nc1nc(NCCO)nc(NCCCN(C)S(C)(=O)=O)n1 ZINC000672163485 485183236 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FBADHN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cn1 ZINC000672310518 484629126 /nfs/dbraw/zinc/62/91/26/484629126.db2.gz XTFIVECRSQYFSC-DZGCQCFKSA-N 0 3 374.445 -0.758 20 0 FBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cn1 ZINC000672310519 484628726 /nfs/dbraw/zinc/62/87/26/484628726.db2.gz XTFIVECRSQYFSC-HIFRSBDPSA-N 0 3 374.445 -0.758 20 0 FBADHN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cn1 ZINC000672310520 484630488 /nfs/dbraw/zinc/63/04/88/484630488.db2.gz XTFIVECRSQYFSC-UKRRQHHQSA-N 0 3 374.445 -0.758 20 0 FBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cn1 ZINC000672310521 484629687 /nfs/dbraw/zinc/62/96/87/484629687.db2.gz XTFIVECRSQYFSC-ZFWWWQNUSA-N 0 3 374.445 -0.758 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310777 484629225 /nfs/dbraw/zinc/62/92/25/484629225.db2.gz HWKGQMDTMNDOAB-KBPBESRZSA-N 0 3 372.491 -0.873 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310778 484629937 /nfs/dbraw/zinc/62/99/37/484629937.db2.gz HWKGQMDTMNDOAB-KGLIPLIRSA-N 0 3 372.491 -0.873 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310779 484629304 /nfs/dbraw/zinc/62/93/04/484629304.db2.gz HWKGQMDTMNDOAB-UONOGXRCSA-N 0 3 372.491 -0.873 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310780 485217885 /nfs/dbraw/zinc/21/78/85/485217885.db2.gz HWKGQMDTMNDOAB-ZIAGYGMSSA-N 0 3 372.491 -0.873 20 0 FBADHN CNC(=O)CC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672311270 485224212 /nfs/dbraw/zinc/22/42/12/485224212.db2.gz CBZWIZFUULJUTC-HNNXBMFYSA-N 0 3 350.463 -0.038 20 0 FBADHN CNC(=O)CC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672311271 485223730 /nfs/dbraw/zinc/22/37/30/485223730.db2.gz CBZWIZFUULJUTC-OAHLLOKOSA-N 0 3 350.463 -0.038 20 0 FBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000672311421 484628768 /nfs/dbraw/zinc/62/87/68/484628768.db2.gz HHRVXWDLRXZZAR-HNNXBMFYSA-N 0 3 358.446 -0.274 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000672311422 484630379 /nfs/dbraw/zinc/63/03/79/484630379.db2.gz HHRVXWDLRXZZAR-OAHLLOKOSA-N 0 3 358.446 -0.274 20 0 FBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC(OCCCO)CC1 ZINC000672311505 484630297 /nfs/dbraw/zinc/63/02/97/484630297.db2.gz FILZPLFFKXNLGG-HNNXBMFYSA-N 0 3 353.463 -0.023 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC(OCCCO)CC1 ZINC000672311506 484628875 /nfs/dbraw/zinc/62/88/75/484628875.db2.gz FILZPLFFKXNLGG-OAHLLOKOSA-N 0 3 353.463 -0.023 20 0 FBADHN Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)cn1 ZINC000672311536 484630043 /nfs/dbraw/zinc/63/00/43/484630043.db2.gz HNMBNEKZPBHWRF-KRWDZBQOSA-N 0 3 374.489 -0.335 20 0 FBADHN Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)cn1 ZINC000672311537 484629354 /nfs/dbraw/zinc/62/93/54/484629354.db2.gz HNMBNEKZPBHWRF-QGZVFWFLSA-N 0 3 374.489 -0.335 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1=O ZINC000672311894 484629078 /nfs/dbraw/zinc/62/90/78/484629078.db2.gz POXIXKIAZKOQCU-HNNXBMFYSA-N 0 3 350.463 -0.086 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCOCC1 ZINC000672311900 484628932 /nfs/dbraw/zinc/62/89/32/484628932.db2.gz UMEIITYMWCPTLU-CABCVRRESA-N 0 3 366.462 -0.660 20 0 FBADHN CC[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCOCC1 ZINC000672311901 484629371 /nfs/dbraw/zinc/62/93/71/484629371.db2.gz UMEIITYMWCPTLU-GJZGRUSLSA-N 0 3 366.462 -0.660 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCOCC1 ZINC000672311902 484630573 /nfs/dbraw/zinc/63/05/73/484630573.db2.gz UMEIITYMWCPTLU-HUUCEWRRSA-N 0 3 366.462 -0.660 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCOCC1 ZINC000672311903 484629789 /nfs/dbraw/zinc/62/97/89/484629789.db2.gz UMEIITYMWCPTLU-LSDHHAIUSA-N 0 3 366.462 -0.660 20 0 FBADHN Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2=O)cn1 ZINC000672311911 484630092 /nfs/dbraw/zinc/63/00/92/484630092.db2.gz VDSQLPPMAYQNDZ-AWEZNQCLSA-N 0 3 374.445 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484629869 /nfs/dbraw/zinc/62/98/69/484629869.db2.gz VJEOAJYJMJXQBB-GOEBONIOSA-N 0 3 366.506 -0.110 20 0 FBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312532 484630358 /nfs/dbraw/zinc/63/03/58/484630358.db2.gz VJEOAJYJMJXQBB-HOCLYGCPSA-N 0 3 366.506 -0.110 20 0 FBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312533 484629499 /nfs/dbraw/zinc/62/94/99/484629499.db2.gz VJEOAJYJMJXQBB-ZBFHGGJFSA-N 0 3 366.506 -0.110 20 0 FBADHN O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000672313295 484630465 /nfs/dbraw/zinc/63/04/65/484630465.db2.gz XKVBFIAHZYGAOR-ARFHVFGLSA-N 0 3 365.474 -0.023 20 0 FBADHN O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000672313296 484630019 /nfs/dbraw/zinc/63/00/19/484630019.db2.gz XKVBFIAHZYGAOR-HRCADAONSA-N 0 3 365.474 -0.023 20 0 FBADHN O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000672313297 484629896 /nfs/dbraw/zinc/62/98/96/484629896.db2.gz XKVBFIAHZYGAOR-JYJNAYRXSA-N 0 3 365.474 -0.023 20 0 FBADHN O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000672313298 484629883 /nfs/dbraw/zinc/62/98/83/484629883.db2.gz XKVBFIAHZYGAOR-XHSDSOJGSA-N 0 3 365.474 -0.023 20 0 FBADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000672313362 484629740 /nfs/dbraw/zinc/62/97/40/484629740.db2.gz NYRAUUDNFUHSMU-AWEZNQCLSA-N 0 3 366.462 -0.515 20 0 FBADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000672313363 484630179 /nfs/dbraw/zinc/63/01/79/484630179.db2.gz NYRAUUDNFUHSMU-CQSZACIVSA-N 0 3 366.462 -0.515 20 0 FBADHN CN(CC1(CO)CC1)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000672313402 484630504 /nfs/dbraw/zinc/63/05/04/484630504.db2.gz VNVWDDRVVINYHH-UHFFFAOYSA-N 0 3 353.463 -0.022 20 0 FBADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000672313426 484629920 /nfs/dbraw/zinc/62/99/20/484629920.db2.gz AQHCKYHUMXJJMP-CYBMUJFWSA-N 0 3 352.435 -0.906 20 0 FBADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000672313427 484629282 /nfs/dbraw/zinc/62/92/82/484629282.db2.gz AQHCKYHUMXJJMP-ZDUSSCGKSA-N 0 3 352.435 -0.906 20 0 FBADHN CN1CCC[C@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000672313487 484630230 /nfs/dbraw/zinc/63/02/30/484630230.db2.gz YJVMXTJGQLKACZ-HNNXBMFYSA-N 0 3 352.479 -0.042 20 0 FBADHN CN1CCC[C@@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C1 ZINC000672313488 484628911 /nfs/dbraw/zinc/62/89/11/484628911.db2.gz YJVMXTJGQLKACZ-OAHLLOKOSA-N 0 3 352.479 -0.042 20 0 FBADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000672313660 485253390 /nfs/dbraw/zinc/25/33/90/485253390.db2.gz VQBXIEUPOMWMBU-HNNXBMFYSA-N 0 3 353.463 -0.023 20 0 FBADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000672313661 485253627 /nfs/dbraw/zinc/25/36/27/485253627.db2.gz VQBXIEUPOMWMBU-OAHLLOKOSA-N 0 3 353.463 -0.023 20 0 FBADHN C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)N1CCOCC1 ZINC000672319260 484632141 /nfs/dbraw/zinc/63/21/41/484632141.db2.gz LUMHAWMCRKZUST-ARFHVFGLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)[C@H](C)N1CCOCC1 ZINC000672319261 483921083 /nfs/dbraw/zinc/92/10/83/483921083.db2.gz LUMHAWMCRKZUST-HRCADAONSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)[C@H](C)N1CCOCC1 ZINC000672319262 483921550 /nfs/dbraw/zinc/92/15/50/483921550.db2.gz LUMHAWMCRKZUST-JYJNAYRXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)N1CCOCC1 ZINC000672319263 483921426 /nfs/dbraw/zinc/92/14/26/483921426.db2.gz LUMHAWMCRKZUST-XHSDSOJGSA-N 0 3 352.479 -0.092 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000672358152 484633799 /nfs/dbraw/zinc/63/37/99/484633799.db2.gz QCLKXLIKEWKQDF-HNNXBMFYSA-N 0 3 361.446 -0.433 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000672358153 484633614 /nfs/dbraw/zinc/63/36/14/484633614.db2.gz QCLKXLIKEWKQDF-OAHLLOKOSA-N 0 3 361.446 -0.433 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000672358488 484634501 /nfs/dbraw/zinc/63/45/01/484634501.db2.gz HKPIUBICBGZMAC-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000672358489 484634016 /nfs/dbraw/zinc/63/40/16/484634016.db2.gz HKPIUBICBGZMAC-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000672358490 484634163 /nfs/dbraw/zinc/63/41/63/484634163.db2.gz HKPIUBICBGZMAC-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000672358491 484634523 /nfs/dbraw/zinc/63/45/23/484634523.db2.gz HKPIUBICBGZMAC-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1(C)C ZINC000672367092 484635289 /nfs/dbraw/zinc/63/52/89/484635289.db2.gz RPLQTXKPKLMYEG-HNNXBMFYSA-N 0 3 370.494 -0.702 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1(C)C ZINC000672367109 484635408 /nfs/dbraw/zinc/63/54/08/484635408.db2.gz RPLQTXKPKLMYEG-OAHLLOKOSA-N 0 3 370.494 -0.702 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCOC[C@H]2CCOC2)CCCO1 ZINC000672369586 483770701 /nfs/dbraw/zinc/77/07/01/483770701.db2.gz PXIBOWNRQXKYCY-CVEARBPZSA-N 0 3 371.478 -0.227 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCOC[C@H]2CCOC2)CCCO1 ZINC000672369587 483772770 /nfs/dbraw/zinc/77/27/70/483772770.db2.gz PXIBOWNRQXKYCY-HOTGVXAUSA-N 0 3 371.478 -0.227 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CCCO1 ZINC000672369588 483773237 /nfs/dbraw/zinc/77/32/37/483773237.db2.gz PXIBOWNRQXKYCY-HZPDHXFCSA-N 0 3 371.478 -0.227 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CCCO1 ZINC000672369589 483774894 /nfs/dbraw/zinc/77/48/94/483774894.db2.gz PXIBOWNRQXKYCY-JKSUJKDBSA-N 0 3 371.478 -0.227 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672369625 484637324 /nfs/dbraw/zinc/63/73/24/484637324.db2.gz REHFOUGTBPHZCM-HNNXBMFYSA-N 0 3 371.478 -0.275 20 0 FBADHN CN(C)CCOC1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672369626 484636695 /nfs/dbraw/zinc/63/66/95/484636695.db2.gz 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CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCN3C[C@@H]1C)CC2 ZINC000672417102 484642435 /nfs/dbraw/zinc/64/24/35/484642435.db2.gz VIMOYTPRMRRBSR-MJBXVCDLSA-N 0 3 360.462 -0.033 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000672442760 484652889 /nfs/dbraw/zinc/65/28/89/484652889.db2.gz DPIIPKFDTVWTEI-CYBMUJFWSA-N 0 3 368.478 -0.271 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000672442761 484653189 /nfs/dbraw/zinc/65/31/89/484653189.db2.gz DPIIPKFDTVWTEI-ZDUSSCGKSA-N 0 3 368.478 -0.271 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458074 484654290 /nfs/dbraw/zinc/65/42/90/484654290.db2.gz HMVRKWPBRNOVBC-CYBMUJFWSA-N 0 3 361.446 -0.500 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672458075 484654404 /nfs/dbraw/zinc/65/44/04/484654404.db2.gz HMVRKWPBRNOVBC-ZDUSSCGKSA-N 0 3 361.446 -0.500 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510697 484655198 /nfs/dbraw/zinc/65/51/98/484655198.db2.gz MAJQUNIUKOMBSH-UHFFFAOYSA-N 0 3 370.475 -0.281 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000672513073 484654917 /nfs/dbraw/zinc/65/49/17/484654917.db2.gz AYACMGNAWGWERW-AWEZNQCLSA-N 0 3 368.478 -0.317 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000672513074 484655386 /nfs/dbraw/zinc/65/53/86/484655386.db2.gz AYACMGNAWGWERW-CQSZACIVSA-N 0 3 368.478 -0.317 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000672513208 484655847 /nfs/dbraw/zinc/65/58/47/484655847.db2.gz IWWCYEBEILZTQB-HNNXBMFYSA-N 0 3 368.478 -0.317 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000672513209 484655580 /nfs/dbraw/zinc/65/55/80/484655580.db2.gz IWWCYEBEILZTQB-OAHLLOKOSA-N 0 3 368.478 -0.317 20 0 FBADHN CC(C)OCCNC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000672513223 484655713 /nfs/dbraw/zinc/65/57/13/484655713.db2.gz TZBBPUYOAIWUHC-UHFFFAOYSA-N 0 3 356.467 -0.414 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000672513271 484655670 /nfs/dbraw/zinc/65/56/70/484655670.db2.gz INPCTWRWLUWUJC-HNNXBMFYSA-N 0 3 367.494 -0.744 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000672513272 484655358 /nfs/dbraw/zinc/65/53/58/484655358.db2.gz INPCTWRWLUWUJC-OAHLLOKOSA-N 0 3 367.494 -0.744 20 0 FBADHN C[C@@H](CN(C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000672516699 484655725 /nfs/dbraw/zinc/65/57/25/484655725.db2.gz CITQKNIPVTTXSC-LBPRGKRZSA-N 0 3 358.464 -0.274 20 0 FBADHN CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)n1C ZINC000672524992 484657057 /nfs/dbraw/zinc/65/70/57/484657057.db2.gz BNVWQGMULIOXOX-UHFFFAOYSA-N 0 3 371.445 -0.154 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCSC2)CC1 ZINC000672532579 484658044 /nfs/dbraw/zinc/65/80/44/484658044.db2.gz ZACACGVHSVKVMM-CYBMUJFWSA-N 0 3 354.476 -0.625 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC000672532580 484657866 /nfs/dbraw/zinc/65/78/66/484657866.db2.gz ZACACGVHSVKVMM-ZDUSSCGKSA-N 0 3 354.476 -0.625 20 0 FBADHN Cc1c(CNC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cnn1C ZINC000672533434 484658290 /nfs/dbraw/zinc/65/82/90/484658290.db2.gz AQSFAUJMJZMIBH-INIZCTEOSA-N 0 3 362.478 -0.417 20 0 FBADHN Cc1c(CNC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cnn1C ZINC000672533435 484658431 /nfs/dbraw/zinc/65/84/31/484658431.db2.gz AQSFAUJMJZMIBH-MRXNPFEDSA-N 0 3 362.478 -0.417 20 0 FBADHN Cc1c(CNC(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cnn1C ZINC000672533449 484658463 /nfs/dbraw/zinc/65/84/63/484658463.db2.gz FWABIDLGTSJEDY-HNNXBMFYSA-N 0 3 362.478 -0.371 20 0 FBADHN Cc1c(CNC(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cnn1C ZINC000672533450 484658796 /nfs/dbraw/zinc/65/87/96/484658796.db2.gz FWABIDLGTSJEDY-OAHLLOKOSA-N 0 3 362.478 -0.371 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1cnn(C)c1 ZINC000672535953 484658681 /nfs/dbraw/zinc/65/86/81/484658681.db2.gz NPTVSOHAKGCNHY-GDBMZVCRSA-N 0 3 362.478 -0.164 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)c1cnn(C)c1 ZINC000672535954 484658414 /nfs/dbraw/zinc/65/84/14/484658414.db2.gz NPTVSOHAKGCNHY-GOEBONIOSA-N 0 3 362.478 -0.164 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1cnn(C)c1 ZINC000672535955 484658030 /nfs/dbraw/zinc/65/80/30/484658030.db2.gz NPTVSOHAKGCNHY-HOCLYGCPSA-N 0 3 362.478 -0.164 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)c1cnn(C)c1 ZINC000672535956 484658899 /nfs/dbraw/zinc/65/88/99/484658899.db2.gz NPTVSOHAKGCNHY-ZBFHGGJFSA-N 0 3 362.478 -0.164 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n[nH]1 ZINC000672537484 484658314 /nfs/dbraw/zinc/65/83/14/484658314.db2.gz MSDIUYMMKCGJHE-AWEZNQCLSA-N 0 3 362.434 -0.901 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[nH]n1 ZINC000672537484 484658310 /nfs/dbraw/zinc/65/83/10/484658310.db2.gz MSDIUYMMKCGJHE-AWEZNQCLSA-N 0 3 362.434 -0.901 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n[nH]1 ZINC000672537485 484657767 /nfs/dbraw/zinc/65/77/67/484657767.db2.gz MSDIUYMMKCGJHE-CQSZACIVSA-N 0 3 362.434 -0.901 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[nH]n1 ZINC000672537485 484657762 /nfs/dbraw/zinc/65/77/62/484657762.db2.gz MSDIUYMMKCGJHE-CQSZACIVSA-N 0 3 362.434 -0.901 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)[nH]n1 ZINC000672539001 484657671 /nfs/dbraw/zinc/65/76/71/484657671.db2.gz LOUDOTDITCSUIB-UHFFFAOYSA-N 0 3 362.478 -0.180 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)n[nH]1 ZINC000672540965 484657887 /nfs/dbraw/zinc/65/78/87/484657887.db2.gz GKZHZSQZIABERH-UHFFFAOYSA-N 0 3 360.418 -0.014 20 0 FBADHN Cc1cc(CNC(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)[nH]n1 ZINC000672540965 484657881 /nfs/dbraw/zinc/65/78/81/484657881.db2.gz GKZHZSQZIABERH-UHFFFAOYSA-N 0 3 360.418 -0.014 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)[nH]n2)CC1 ZINC000672541190 484658106 /nfs/dbraw/zinc/65/81/06/484658106.db2.gz YEMBPLYDTKIUDC-UHFFFAOYSA-N 0 3 364.450 -0.653 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)n[nH]2)CC1 ZINC000672541190 484658099 /nfs/dbraw/zinc/65/80/99/484658099.db2.gz YEMBPLYDTKIUDC-UHFFFAOYSA-N 0 3 364.450 -0.653 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n[nH]1 ZINC000672541343 484658200 /nfs/dbraw/zinc/65/82/00/484658200.db2.gz APQWZHGLYZPNIS-UHFFFAOYSA-N 0 3 362.434 -0.899 20 0 FBADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[nH]n1 ZINC000672541343 484658193 /nfs/dbraw/zinc/65/81/93/484658193.db2.gz APQWZHGLYZPNIS-UHFFFAOYSA-N 0 3 362.434 -0.899 20 0 FBADHN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000672556423 484659526 /nfs/dbraw/zinc/65/95/26/484659526.db2.gz BNJIUWJGOGIMSC-AWEZNQCLSA-N 0 3 371.441 -0.143 20 0 FBADHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000672556424 484659647 /nfs/dbraw/zinc/65/96/47/484659647.db2.gz BNJIUWJGOGIMSC-CQSZACIVSA-N 0 3 371.441 -0.143 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000672557314 484659698 /nfs/dbraw/zinc/65/96/98/484659698.db2.gz UVAQDPHHEGTOFH-KBXCAEBGSA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000672557315 484659809 /nfs/dbraw/zinc/65/98/09/484659809.db2.gz UVAQDPHHEGTOFH-KDOFPFPSSA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000672557316 484660413 /nfs/dbraw/zinc/66/04/13/484660413.db2.gz UVAQDPHHEGTOFH-KSSFIOAISA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000672557317 484659593 /nfs/dbraw/zinc/65/95/93/484659593.db2.gz UVAQDPHHEGTOFH-RDTXWAMCSA-N 0 3 366.462 -0.563 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@]3(C)CCCO3)CC2)C1 ZINC000672558293 484659843 /nfs/dbraw/zinc/65/98/43/484659843.db2.gz FIGXARLLUUTURX-CRAIPNDOSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@]3(C)CCCO3)CC2)C1 ZINC000672558294 484660008 /nfs/dbraw/zinc/66/00/08/484660008.db2.gz FIGXARLLUUTURX-MAUKXSAKSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@]3(C)CCCO3)CC2)C1 ZINC000672558295 484660378 /nfs/dbraw/zinc/66/03/78/484660378.db2.gz FIGXARLLUUTURX-QAPCUYQASA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@]3(C)CCCO3)CC2)C1 ZINC000672558296 484660034 /nfs/dbraw/zinc/66/00/34/484660034.db2.gz FIGXARLLUUTURX-YJBOKZPZSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CCCO3)C2)CC1 ZINC000672558341 484660308 /nfs/dbraw/zinc/66/03/08/484660308.db2.gz NHKNIMSNZDIEBP-KBXCAEBGSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CCCO3)C2)CC1 ZINC000672558342 483694169 /nfs/dbraw/zinc/69/41/69/483694169.db2.gz NHKNIMSNZDIEBP-KDOFPFPSSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@]3(C)CCCO3)C2)CC1 ZINC000672558346 483694129 /nfs/dbraw/zinc/69/41/29/483694129.db2.gz NHKNIMSNZDIEBP-KSSFIOAISA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CCCO3)C2)CC1 ZINC000672558347 483694263 /nfs/dbraw/zinc/69/42/63/483694263.db2.gz NHKNIMSNZDIEBP-RDTXWAMCSA-N 0 3 352.479 -0.044 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(C)COC2)CC1 ZINC000672591085 484660914 /nfs/dbraw/zinc/66/09/14/484660914.db2.gz BMGZKZNCDKXLPS-UHFFFAOYSA-N 0 3 354.451 -0.848 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000672591846 484661924 /nfs/dbraw/zinc/66/19/24/484661924.db2.gz GQYOZHXYXWTHPZ-KBXCAEBGSA-N 0 3 366.462 -0.706 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000672591847 484661101 /nfs/dbraw/zinc/66/11/01/484661101.db2.gz GQYOZHXYXWTHPZ-KDOFPFPSSA-N 0 3 366.462 -0.706 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000672591848 484661735 /nfs/dbraw/zinc/66/17/35/484661735.db2.gz GQYOZHXYXWTHPZ-KSSFIOAISA-N 0 3 366.462 -0.706 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000672591849 483783187 /nfs/dbraw/zinc/78/31/87/483783187.db2.gz GQYOZHXYXWTHPZ-RDTXWAMCSA-N 0 3 366.462 -0.706 20 0 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CC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCO1 ZINC000672637733 484669517 /nfs/dbraw/zinc/66/95/17/484669517.db2.gz NVNIRFKPDAMZFS-HOCLYGCPSA-N 0 3 352.479 -0.092 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCO1 ZINC000672637734 484669480 /nfs/dbraw/zinc/66/94/80/484669480.db2.gz NVNIRFKPDAMZFS-ZBFHGGJFSA-N 0 3 352.479 -0.092 20 0 FBADHN COC1(CNC(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCC1 ZINC000672637763 484670249 /nfs/dbraw/zinc/67/02/49/484670249.db2.gz OKVYFDKLMNTAOB-AWEZNQCLSA-N 0 3 352.479 -0.044 20 0 FBADHN COC1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCC1 ZINC000672637764 484668572 /nfs/dbraw/zinc/66/85/72/484668572.db2.gz OKVYFDKLMNTAOB-CQSZACIVSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCOCC3)C2)CC1 ZINC000672637788 484669150 /nfs/dbraw/zinc/66/91/50/484669150.db2.gz CAOKPGGCFUUPTI-CABCVRRESA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCOCC3)C2)CC1 ZINC000672637789 484669074 /nfs/dbraw/zinc/66/90/74/484669074.db2.gz CAOKPGGCFUUPTI-GJZGRUSLSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCOCC3)C2)CC1 ZINC000672637790 484670157 /nfs/dbraw/zinc/67/01/57/484670157.db2.gz CAOKPGGCFUUPTI-HUUCEWRRSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCOCC3)C2)CC1 ZINC000672637791 484668511 /nfs/dbraw/zinc/66/85/11/484668511.db2.gz CAOKPGGCFUUPTI-LSDHHAIUSA-N 0 3 352.479 -0.044 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000672637990 484669584 /nfs/dbraw/zinc/66/95/84/484669584.db2.gz BYBFBZCUPHFACQ-HNNXBMFYSA-N 0 3 363.506 -0.422 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000672637991 484668417 /nfs/dbraw/zinc/66/84/17/484668417.db2.gz BYBFBZCUPHFACQ-OAHLLOKOSA-N 0 3 363.506 -0.422 20 0 FBADHN CC(C)N(C[C@@H](C)O)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638002 484669106 /nfs/dbraw/zinc/66/91/06/484669106.db2.gz QJALNCYPVXHHLB-CABCVRRESA-N 0 3 354.495 -0.111 20 0 FBADHN CC(C)N(C[C@H](C)O)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638015 484668750 /nfs/dbraw/zinc/66/87/50/484668750.db2.gz QJALNCYPVXHHLB-GJZGRUSLSA-N 0 3 354.495 -0.111 20 0 FBADHN CC(C)N(C[C@@H](C)O)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638016 484670091 /nfs/dbraw/zinc/67/00/91/484670091.db2.gz QJALNCYPVXHHLB-HUUCEWRRSA-N 0 3 354.495 -0.111 20 0 FBADHN CC(C)N(C[C@H](C)O)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638017 483936005 /nfs/dbraw/zinc/93/60/05/483936005.db2.gz QJALNCYPVXHHLB-LSDHHAIUSA-N 0 3 354.495 -0.111 20 0 FBADHN CN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638246 484668937 /nfs/dbraw/zinc/66/89/37/484668937.db2.gz CPOCDUUIVGWQJF-GDBMZVCRSA-N 0 3 352.479 -0.092 20 0 FBADHN CN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638247 483937011 /nfs/dbraw/zinc/93/70/11/483937011.db2.gz CPOCDUUIVGWQJF-GOEBONIOSA-N 0 3 352.479 -0.092 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(CCOC4)C3)C2)CC1 ZINC000672638477 484669131 /nfs/dbraw/zinc/66/91/31/484669131.db2.gz QSDVSLRPXSUVJF-BEFAXECRSA-N 0 3 364.490 -0.090 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(CCOC4)C3)C2)CC1 ZINC000672638484 484668910 /nfs/dbraw/zinc/66/89/10/484668910.db2.gz QSDVSLRPXSUVJF-DNVCBOLYSA-N 0 3 364.490 -0.090 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(CCOC4)C3)C2)CC1 ZINC000672638486 484670450 /nfs/dbraw/zinc/67/04/50/484670450.db2.gz QSDVSLRPXSUVJF-HNAYVOBHSA-N 0 3 364.490 -0.090 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@]4(CCOC4)C3)C2)CC1 ZINC000672638488 484669234 /nfs/dbraw/zinc/66/92/34/484669234.db2.gz QSDVSLRPXSUVJF-KXBFYZLASA-N 0 3 364.490 -0.090 20 0 FBADHN CN(CCn1cccn1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638510 484669942 /nfs/dbraw/zinc/66/99/42/484669942.db2.gz IWYNYCUGCMDDRY-HNNXBMFYSA-N 0 3 362.478 -0.374 20 0 FBADHN CN(CCn1cccn1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672638515 484670280 /nfs/dbraw/zinc/67/02/80/484670280.db2.gz IWYNYCUGCMDDRY-OAHLLOKOSA-N 0 3 362.478 -0.374 20 0 FBADHN CCN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000672638561 484668151 /nfs/dbraw/zinc/66/81/51/484668151.db2.gz VCMNZLGURHXJEX-HNNXBMFYSA-N 0 3 351.495 -0.565 20 0 FBADHN CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000672638562 484670052 /nfs/dbraw/zinc/67/00/52/484670052.db2.gz VCMNZLGURHXJEX-OAHLLOKOSA-N 0 3 351.495 -0.565 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCCO1 ZINC000672639145 484671202 /nfs/dbraw/zinc/67/12/02/484671202.db2.gz ZWHRLPWSWNYEDS-CABCVRRESA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCCO1 ZINC000672639146 484672622 /nfs/dbraw/zinc/67/26/22/484672622.db2.gz ZWHRLPWSWNYEDS-GJZGRUSLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCCO1 ZINC000672639147 484670913 /nfs/dbraw/zinc/67/09/13/484670913.db2.gz ZWHRLPWSWNYEDS-HUUCEWRRSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCCO1 ZINC000672639148 484670985 /nfs/dbraw/zinc/67/09/85/484670985.db2.gz ZWHRLPWSWNYEDS-LSDHHAIUSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672639207 484672903 /nfs/dbraw/zinc/67/29/03/484672903.db2.gz JABQFGNUEIURTF-ARFHVFGLSA-N 0 3 366.506 -0.110 20 0 FBADHN C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672639209 484671858 /nfs/dbraw/zinc/67/18/58/484671858.db2.gz JABQFGNUEIURTF-HRCADAONSA-N 0 3 366.506 -0.110 20 0 FBADHN C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672639210 484673854 /nfs/dbraw/zinc/67/38/54/484673854.db2.gz JABQFGNUEIURTF-JYJNAYRXSA-N 0 3 366.506 -0.110 20 0 FBADHN C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672639213 484672394 /nfs/dbraw/zinc/67/23/94/484672394.db2.gz JABQFGNUEIURTF-XHSDSOJGSA-N 0 3 366.506 -0.110 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639361 484672360 /nfs/dbraw/zinc/67/23/60/484672360.db2.gz MHFAHILCHBRZNM-ILXRZTDVSA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)[C@H]1C ZINC000672639363 484671023 /nfs/dbraw/zinc/67/10/23/484671023.db2.gz MHFAHILCHBRZNM-KKUMJFAQSA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639366 484673752 /nfs/dbraw/zinc/67/37/52/484673752.db2.gz MHFAHILCHBRZNM-QLFBSQMISA-N 0 3 352.479 -0.093 20 0 FBADHN CCN(CC(C)(C)O)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639426 484671272 /nfs/dbraw/zinc/67/12/72/484671272.db2.gz CFQQBOFMWVVEHU-AWEZNQCLSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN(CC(C)(C)O)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639428 484671492 /nfs/dbraw/zinc/67/14/92/484671492.db2.gz CFQQBOFMWVVEHU-CQSZACIVSA-N 0 3 354.495 -0.110 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)[C@H]1C ZINC000672639449 484672517 /nfs/dbraw/zinc/67/25/17/484672517.db2.gz MHFAHILCHBRZNM-SOUVJXGZSA-N 0 3 352.479 -0.093 20 0 FBADHN CC[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639452 484672017 /nfs/dbraw/zinc/67/20/17/484672017.db2.gz MTEVITFGZYIQCZ-CABCVRRESA-N 0 3 352.479 -0.092 20 0 FBADHN CC[C@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639453 484673561 /nfs/dbraw/zinc/67/35/61/484673561.db2.gz MTEVITFGZYIQCZ-GJZGRUSLSA-N 0 3 352.479 -0.092 20 0 FBADHN CC[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639454 484671167 /nfs/dbraw/zinc/67/11/67/484671167.db2.gz MTEVITFGZYIQCZ-HUUCEWRRSA-N 0 3 352.479 -0.092 20 0 FBADHN CC[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639455 484673024 /nfs/dbraw/zinc/67/30/24/484673024.db2.gz MTEVITFGZYIQCZ-LSDHHAIUSA-N 0 3 352.479 -0.092 20 0 FBADHN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639578 484672300 /nfs/dbraw/zinc/67/23/00/484672300.db2.gz CPOCDUUIVGWQJF-HOCLYGCPSA-N 0 3 352.479 -0.092 20 0 FBADHN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639580 484672751 /nfs/dbraw/zinc/67/27/51/484672751.db2.gz CPOCDUUIVGWQJF-ZBFHGGJFSA-N 0 3 352.479 -0.092 20 0 FBADHN CCN(CCOCCO)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639616 484672653 /nfs/dbraw/zinc/67/26/53/484672653.db2.gz MLUHOOHWEJWDNB-HNNXBMFYSA-N 0 3 370.494 -0.872 20 0 FBADHN CCN(CCOCCO)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639617 484672680 /nfs/dbraw/zinc/67/26/80/484672680.db2.gz MLUHOOHWEJWDNB-OAHLLOKOSA-N 0 3 370.494 -0.872 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N(CCO)C3CCC3)C2)CC1 ZINC000672639681 484673876 /nfs/dbraw/zinc/67/38/76/484673876.db2.gz NCACTXSTPWDVCV-AWEZNQCLSA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N(CCO)C3CCC3)C2)CC1 ZINC000672639683 484671889 /nfs/dbraw/zinc/67/18/89/484671889.db2.gz NCACTXSTPWDVCV-CQSZACIVSA-N 0 3 352.479 -0.356 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639729 484671917 /nfs/dbraw/zinc/67/19/17/484671917.db2.gz FTEDZYFVAXPSFW-GDBMZVCRSA-N 0 3 352.479 -0.092 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639730 484672930 /nfs/dbraw/zinc/67/29/30/484672930.db2.gz FTEDZYFVAXPSFW-GOEBONIOSA-N 0 3 352.479 -0.092 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639731 484671377 /nfs/dbraw/zinc/67/13/77/484671377.db2.gz FTEDZYFVAXPSFW-HOCLYGCPSA-N 0 3 352.479 -0.092 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639732 484672806 /nfs/dbraw/zinc/67/28/06/484672806.db2.gz FTEDZYFVAXPSFW-ZBFHGGJFSA-N 0 3 352.479 -0.092 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOCC4(CC4)C3)C2)CC1 ZINC000672639828 484673125 /nfs/dbraw/zinc/67/31/25/484673125.db2.gz RJIJERSCQBTURS-HNNXBMFYSA-N 0 3 364.490 -0.090 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CC4)C3)C2)CC1 ZINC000672639829 484673331 /nfs/dbraw/zinc/67/33/31/484673331.db2.gz RJIJERSCQBTURS-OAHLLOKOSA-N 0 3 364.490 -0.090 20 0 FBADHN COC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672640003 484671941 /nfs/dbraw/zinc/67/19/41/484671941.db2.gz RGVITAZPLNLUQD-CABCVRRESA-N 0 3 352.479 -0.234 20 0 FBADHN COC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672640004 484673587 /nfs/dbraw/zinc/67/35/87/484673587.db2.gz RGVITAZPLNLUQD-GJZGRUSLSA-N 0 3 352.479 -0.234 20 0 FBADHN COC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672640005 484672062 /nfs/dbraw/zinc/67/20/62/484672062.db2.gz RGVITAZPLNLUQD-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN COC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000672640006 484672956 /nfs/dbraw/zinc/67/29/56/484672956.db2.gz RGVITAZPLNLUQD-LSDHHAIUSA-N 0 3 352.479 -0.234 20 0 FBADHN CN(CC1(CO)CC1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672640067 484672431 /nfs/dbraw/zinc/67/24/31/484672431.db2.gz HTQPYYYEAZIGHM-AWEZNQCLSA-N 0 3 352.479 -0.498 20 0 FBADHN CN(CC1(CO)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672640068 484671818 /nfs/dbraw/zinc/67/18/18/484671818.db2.gz HTQPYYYEAZIGHM-CQSZACIVSA-N 0 3 352.479 -0.498 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672640132 484671526 /nfs/dbraw/zinc/67/15/26/484671526.db2.gz ROJJXHFFXJIPRH-CABCVRRESA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672640133 484671446 /nfs/dbraw/zinc/67/14/46/484671446.db2.gz ROJJXHFFXJIPRH-GJZGRUSLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1COCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672640134 484673504 /nfs/dbraw/zinc/67/35/04/484673504.db2.gz ROJJXHFFXJIPRH-HUUCEWRRSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H]1COCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672640136 484672492 /nfs/dbraw/zinc/67/24/92/484672492.db2.gz ROJJXHFFXJIPRH-LSDHHAIUSA-N 0 3 352.479 -0.092 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@]3(C)CO)C2)CC1 ZINC000672640161 484671238 /nfs/dbraw/zinc/67/12/38/484671238.db2.gz IODBEFVBSPIBKV-KBXCAEBGSA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@]3(C)CO)C2)CC1 ZINC000672640163 484671562 /nfs/dbraw/zinc/67/15/62/484671562.db2.gz IODBEFVBSPIBKV-KDOFPFPSSA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@]3(C)CO)C2)CC1 ZINC000672640166 484672149 /nfs/dbraw/zinc/67/21/49/484672149.db2.gz IODBEFVBSPIBKV-KSSFIOAISA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@]3(C)CO)C2)CC1 ZINC000672640167 484671784 /nfs/dbraw/zinc/67/17/84/484671784.db2.gz IODBEFVBSPIBKV-RDTXWAMCSA-N 0 3 352.479 -0.356 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCO1 ZINC000672640610 484673088 /nfs/dbraw/zinc/67/30/88/484673088.db2.gz KOTJRZOFTNLVSC-GDBMZVCRSA-N 0 3 368.478 -0.855 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCO1 ZINC000672640612 484670873 /nfs/dbraw/zinc/67/08/73/484670873.db2.gz KOTJRZOFTNLVSC-GOEBONIOSA-N 0 3 368.478 -0.855 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCO1 ZINC000672640795 484672992 /nfs/dbraw/zinc/67/29/92/484672992.db2.gz KOTJRZOFTNLVSC-HOCLYGCPSA-N 0 3 368.478 -0.855 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCO1 ZINC000672640797 483938878 /nfs/dbraw/zinc/93/88/78/483938878.db2.gz KOTJRZOFTNLVSC-ZBFHGGJFSA-N 0 3 368.478 -0.855 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)[C@H](C)CO1 ZINC000672641017 484672704 /nfs/dbraw/zinc/67/27/04/484672704.db2.gz JVLZPGQIZINJMJ-KFWWJZLASA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)[C@H](C)CO1 ZINC000672641018 484673665 /nfs/dbraw/zinc/67/36/65/484673665.db2.gz JVLZPGQIZINJMJ-RBSFLKMASA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)[C@@H](C)CO1 ZINC000672641019 484672462 /nfs/dbraw/zinc/67/24/62/484672462.db2.gz JVLZPGQIZINJMJ-RRFJBIMHSA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)[C@@H](C)CO1 ZINC000672641020 484672869 /nfs/dbraw/zinc/67/28/69/484672869.db2.gz JVLZPGQIZINJMJ-ZNMIVQPWSA-N 0 3 352.479 -0.093 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCc4c[nH]nc4C3)C2)CC1 ZINC000672641098 484671678 /nfs/dbraw/zinc/67/16/78/484671678.db2.gz MWWFRLITWYLNSB-AWEZNQCLSA-N 0 3 360.462 -0.421 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCc4c[nH]nc4C3)C2)CC1 ZINC000672641101 484672591 /nfs/dbraw/zinc/67/25/91/484672591.db2.gz MWWFRLITWYLNSB-CQSZACIVSA-N 0 3 360.462 -0.421 20 0 FBADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641179 484671606 /nfs/dbraw/zinc/67/16/06/484671606.db2.gz MVQNDYVBOQWXCW-GDBMZVCRSA-N 0 3 352.479 -0.500 20 0 FBADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641181 484671960 /nfs/dbraw/zinc/67/19/60/484671960.db2.gz MVQNDYVBOQWXCW-GOEBONIOSA-N 0 3 352.479 -0.500 20 0 FBADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641182 484670834 /nfs/dbraw/zinc/67/08/34/484670834.db2.gz MVQNDYVBOQWXCW-HOCLYGCPSA-N 0 3 352.479 -0.500 20 0 FBADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641183 484672780 /nfs/dbraw/zinc/67/27/80/484672780.db2.gz MVQNDYVBOQWXCW-ZBFHGGJFSA-N 0 3 352.479 -0.500 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CCOC3)C2)CC1 ZINC000672641282 484672728 /nfs/dbraw/zinc/67/27/28/484672728.db2.gz OKXKLBKPQXNEBW-CABCVRRESA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCC[C@H]3CCOC3)C2)CC1 ZINC000672641284 484672094 /nfs/dbraw/zinc/67/20/94/484672094.db2.gz OKXKLBKPQXNEBW-GJZGRUSLSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3CCOC3)C2)CC1 ZINC000672641285 484672265 /nfs/dbraw/zinc/67/22/65/484672265.db2.gz OKXKLBKPQXNEBW-HUUCEWRRSA-N 0 3 352.479 -0.186 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCC[C@H]3CCOC3)C2)CC1 ZINC000672641286 484673285 /nfs/dbraw/zinc/67/32/85/484673285.db2.gz OKXKLBKPQXNEBW-LSDHHAIUSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641495 484671702 /nfs/dbraw/zinc/67/17/02/484671702.db2.gz QLLXPSLTYGHVGZ-KBPBESRZSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641496 484672836 /nfs/dbraw/zinc/67/28/36/484672836.db2.gz QLLXPSLTYGHVGZ-KGLIPLIRSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641498 484673535 /nfs/dbraw/zinc/67/35/35/484673535.db2.gz QLLXPSLTYGHVGZ-UONOGXRCSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672641499 484673197 /nfs/dbraw/zinc/67/31/97/484673197.db2.gz QLLXPSLTYGHVGZ-ZIAGYGMSSA-N 0 3 365.478 -0.992 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)[C@H]1CO ZINC000672641560 484672124 /nfs/dbraw/zinc/67/21/24/484672124.db2.gz RJHCQIPFEXPGQV-FMKPAKJESA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)[C@@H]1CO ZINC000672641562 484671644 /nfs/dbraw/zinc/67/16/44/484671644.db2.gz RJHCQIPFEXPGQV-IIAWOOMASA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)[C@@H]1CO ZINC000672641563 484673817 /nfs/dbraw/zinc/67/38/17/484673817.db2.gz RJHCQIPFEXPGQV-IJEWVQPXSA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)[C@H]1CO ZINC000672641564 484673434 /nfs/dbraw/zinc/67/34/34/484673434.db2.gz RJHCQIPFEXPGQV-YCPHGPKFSA-N 0 3 352.479 -0.500 20 0 FBADHN Cc1cn2c(n1)CN(C(=O)C(=O)N[C@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000672641631 484673472 /nfs/dbraw/zinc/67/34/72/484673472.db2.gz VCBPVUWNMQFUAL-HNNXBMFYSA-N 0 3 374.489 -0.182 20 0 FBADHN Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000672641632 484671728 /nfs/dbraw/zinc/67/17/28/484671728.db2.gz VCBPVUWNMQFUAL-OAHLLOKOSA-N 0 3 374.489 -0.182 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000672641849 484671410 /nfs/dbraw/zinc/67/14/10/484671410.db2.gz YGQFPQXSTSCELV-GDBMZVCRSA-N 0 3 352.479 -0.188 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000672641850 484670946 /nfs/dbraw/zinc/67/09/46/484670946.db2.gz YGQFPQXSTSCELV-GOEBONIOSA-N 0 3 352.479 -0.188 20 0 FBADHN COC[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000672641851 484672205 /nfs/dbraw/zinc/67/22/05/484672205.db2.gz YGQFPQXSTSCELV-HOCLYGCPSA-N 0 3 352.479 -0.188 20 0 FBADHN COC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000672641852 484671307 /nfs/dbraw/zinc/67/13/07/484671307.db2.gz YGQFPQXSTSCELV-ZBFHGGJFSA-N 0 3 352.479 -0.188 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000672641982 484673057 /nfs/dbraw/zinc/67/30/57/484673057.db2.gz VLPPZVYOVDOHGB-DOTOQJQBSA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000672641983 484672236 /nfs/dbraw/zinc/67/22/36/484672236.db2.gz VLPPZVYOVDOHGB-NVXWUHKLSA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000672641984 484673239 /nfs/dbraw/zinc/67/32/39/484673239.db2.gz VLPPZVYOVDOHGB-RDJZCZTQSA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000672641985 484671338 /nfs/dbraw/zinc/67/13/38/484671338.db2.gz VLPPZVYOVDOHGB-WBVHZDCISA-N 0 3 364.490 -0.092 20 0 FBADHN COCCCN(CCO)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642428 484674383 /nfs/dbraw/zinc/67/43/83/484674383.db2.gz KAZVBXYNFBASCS-HNNXBMFYSA-N 0 3 370.494 -0.872 20 0 FBADHN COCCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642429 484676040 /nfs/dbraw/zinc/67/60/40/484676040.db2.gz KAZVBXYNFBASCS-OAHLLOKOSA-N 0 3 370.494 -0.872 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]3CCO)C2)CC1 ZINC000672642435 484674566 /nfs/dbraw/zinc/67/45/66/484674566.db2.gz KIFQAZLPMKIKBT-HLLBOEOZSA-N 0 3 366.506 -0.062 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H]3CCO)C2)CC1 ZINC000672642439 484675902 /nfs/dbraw/zinc/67/59/02/484675902.db2.gz KIFQAZLPMKIKBT-VYDXJSESSA-N 0 3 366.506 -0.062 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]3CCO)C2)CC1 ZINC000672642440 484675062 /nfs/dbraw/zinc/67/50/62/484675062.db2.gz KIFQAZLPMKIKBT-YQQAZPJKSA-N 0 3 366.506 -0.062 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H]3CCO)C2)CC1 ZINC000672642442 484675025 /nfs/dbraw/zinc/67/50/25/484675025.db2.gz KIFQAZLPMKIKBT-ZOBUZTSGSA-N 0 3 366.506 -0.062 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@](C)(O)C3)C2)CC1 ZINC000672642835 484674967 /nfs/dbraw/zinc/67/49/67/484674967.db2.gz WAWFGGLQUXZFBB-KBXCAEBGSA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@](C)(O)C3)C2)CC1 ZINC000672642836 484674714 /nfs/dbraw/zinc/67/47/14/484674714.db2.gz WAWFGGLQUXZFBB-KDOFPFPSSA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@](C)(O)C3)C2)CC1 ZINC000672642837 484675114 /nfs/dbraw/zinc/67/51/14/484675114.db2.gz WAWFGGLQUXZFBB-KSSFIOAISA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@](C)(O)C3)C2)CC1 ZINC000672642838 484674617 /nfs/dbraw/zinc/67/46/17/484674617.db2.gz WAWFGGLQUXZFBB-RDTXWAMCSA-N 0 3 352.479 -0.356 20 0 FBADHN CCCCN(CCO)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642863 484675808 /nfs/dbraw/zinc/67/58/08/484675808.db2.gz XGXLRCTYPUWKGX-HNNXBMFYSA-N 0 3 354.495 -0.108 20 0 FBADHN CCCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642864 484675751 /nfs/dbraw/zinc/67/57/51/484675751.db2.gz XGXLRCTYPUWKGX-OAHLLOKOSA-N 0 3 354.495 -0.108 20 0 FBADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642875 484675301 /nfs/dbraw/zinc/67/53/01/484675301.db2.gz XPMXEQHJGZQUSD-HLLBOEOZSA-N 0 3 366.506 -0.110 20 0 FBADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642876 484674911 /nfs/dbraw/zinc/67/49/11/484674911.db2.gz XPMXEQHJGZQUSD-VYDXJSESSA-N 0 3 366.506 -0.110 20 0 FBADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642877 484674806 /nfs/dbraw/zinc/67/48/06/484674806.db2.gz XPMXEQHJGZQUSD-YQQAZPJKSA-N 0 3 366.506 -0.110 20 0 FBADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672642878 484675587 /nfs/dbraw/zinc/67/55/87/484675587.db2.gz XPMXEQHJGZQUSD-ZOBUZTSGSA-N 0 3 366.506 -0.110 20 0 FBADHN COC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000672642923 484674741 /nfs/dbraw/zinc/67/47/41/484674741.db2.gz YEYVBGGXEHWTSK-AWEZNQCLSA-N 0 3 352.479 -0.092 20 0 FBADHN COC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000672642924 484674350 /nfs/dbraw/zinc/67/43/50/484674350.db2.gz YEYVBGGXEHWTSK-CQSZACIVSA-N 0 3 352.479 -0.092 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](C4CC4)C3)C2)CC1 ZINC000672642945 484675641 /nfs/dbraw/zinc/67/56/41/484675641.db2.gz YNEROVJRSHAMLQ-DOTOQJQBSA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C4CC4)C3)C2)CC1 ZINC000672642946 484674870 /nfs/dbraw/zinc/67/48/70/484674870.db2.gz YNEROVJRSHAMLQ-NVXWUHKLSA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000672642947 484675135 /nfs/dbraw/zinc/67/51/35/484675135.db2.gz YNEROVJRSHAMLQ-RDJZCZTQSA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000672642948 484675101 /nfs/dbraw/zinc/67/51/01/484675101.db2.gz YNEROVJRSHAMLQ-WBVHZDCISA-N 0 3 364.490 -0.092 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCCn3ccnn3)C2)CC1 ZINC000672643086 484674669 /nfs/dbraw/zinc/67/46/69/484674669.db2.gz ORTQDXKJVYTPKE-AWEZNQCLSA-N 0 3 363.466 -0.931 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCn3ccnn3)C2)CC1 ZINC000672643087 484675362 /nfs/dbraw/zinc/67/53/62/484675362.db2.gz ORTQDXKJVYTPKE-CQSZACIVSA-N 0 3 363.466 -0.931 20 0 FBADHN CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672643444 484675397 /nfs/dbraw/zinc/67/53/97/484675397.db2.gz YJTFUWWNWDCCRD-CYBMUJFWSA-N 0 3 367.494 -0.841 20 0 FBADHN CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672643445 484675846 /nfs/dbraw/zinc/67/58/46/484675846.db2.gz YJTFUWWNWDCCRD-ZDUSSCGKSA-N 0 3 367.494 -0.841 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000672655627 484674996 /nfs/dbraw/zinc/67/49/96/484674996.db2.gz QEWKZAAZXKCVMQ-AWEZNQCLSA-N 0 3 374.507 -0.625 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000672655628 484675181 /nfs/dbraw/zinc/67/51/81/484675181.db2.gz QEWKZAAZXKCVMQ-CQSZACIVSA-N 0 3 374.507 -0.625 20 0 FBADHN CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1=O ZINC000672657309 484675713 /nfs/dbraw/zinc/67/57/13/484675713.db2.gz XRANLOXPNPELNO-HNNXBMFYSA-N 0 3 359.430 -0.144 20 0 FBADHN CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1=O ZINC000672657310 484675435 /nfs/dbraw/zinc/67/54/35/484675435.db2.gz XRANLOXPNPELNO-OAHLLOKOSA-N 0 3 359.430 -0.144 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000672679345 484676876 /nfs/dbraw/zinc/67/68/76/484676876.db2.gz RMCQQXTYLRDIJA-CVEARBPZSA-N 0 3 374.489 -0.378 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000672679346 484677094 /nfs/dbraw/zinc/67/70/94/484677094.db2.gz RMCQQXTYLRDIJA-HOTGVXAUSA-N 0 3 374.489 -0.378 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000672679347 484677025 /nfs/dbraw/zinc/67/70/25/484677025.db2.gz RMCQQXTYLRDIJA-HZPDHXFCSA-N 0 3 374.489 -0.378 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000672679348 484676915 /nfs/dbraw/zinc/67/69/15/484676915.db2.gz RMCQQXTYLRDIJA-JKSUJKDBSA-N 0 3 374.489 -0.378 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000672679364 484676708 /nfs/dbraw/zinc/67/67/08/484676708.db2.gz VCIKIWZYDWMFAU-CABCVRRESA-N 0 3 363.462 -0.048 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000672679365 484676983 /nfs/dbraw/zinc/67/69/83/484676983.db2.gz VCIKIWZYDWMFAU-GJZGRUSLSA-N 0 3 363.462 -0.048 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000672679366 484677147 /nfs/dbraw/zinc/67/71/47/484677147.db2.gz VCIKIWZYDWMFAU-HUUCEWRRSA-N 0 3 363.462 -0.048 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000672679367 484677046 /nfs/dbraw/zinc/67/70/46/484677046.db2.gz VCIKIWZYDWMFAU-LSDHHAIUSA-N 0 3 363.462 -0.048 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)COC)CC1 ZINC000672689854 484141792 /nfs/dbraw/zinc/14/17/92/484141792.db2.gz AEMDOSHYXFPWFN-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)COC)CC1 ZINC000672689855 484141074 /nfs/dbraw/zinc/14/10/74/484141074.db2.gz AEMDOSHYXFPWFN-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000672690910 484678029 /nfs/dbraw/zinc/67/80/29/484678029.db2.gz JJXPOQPKSZOZSO-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000672690911 484677795 /nfs/dbraw/zinc/67/77/95/484677795.db2.gz JJXPOQPKSZOZSO-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000672690912 484678236 /nfs/dbraw/zinc/67/82/36/484678236.db2.gz JJXPOQPKSZOZSO-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000672690913 484678181 /nfs/dbraw/zinc/67/81/81/484678181.db2.gz JJXPOQPKSZOZSO-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000672691487 484678210 /nfs/dbraw/zinc/67/82/10/484678210.db2.gz XGGUSFAFONGDJP-AWEZNQCLSA-N 0 3 367.494 -0.615 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000672691488 484677738 /nfs/dbraw/zinc/67/77/38/484677738.db2.gz XGGUSFAFONGDJP-CQSZACIVSA-N 0 3 367.494 -0.615 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCCC2)CC1 ZINC000672692504 484678225 /nfs/dbraw/zinc/67/82/25/484678225.db2.gz CRENZXVIVGVWSH-HNNXBMFYSA-N 0 3 367.494 -0.743 20 0 FBADHN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)CN2CCCC2)CC1 ZINC000672692505 484678475 /nfs/dbraw/zinc/67/84/75/484678475.db2.gz CRENZXVIVGVWSH-OAHLLOKOSA-N 0 3 367.494 -0.743 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000672693508 484678548 /nfs/dbraw/zinc/67/85/48/484678548.db2.gz DMFVGHLALKOJFQ-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000672693513 484677769 /nfs/dbraw/zinc/67/77/69/484677769.db2.gz DMFVGHLALKOJFQ-ZDUSSCGKSA-N 0 3 360.480 -0.919 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000672695174 484678015 /nfs/dbraw/zinc/67/80/15/484678015.db2.gz MALVVOLZOZYBGL-KBPBESRZSA-N 0 3 353.467 -0.116 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000672695175 484677607 /nfs/dbraw/zinc/67/76/07/484677607.db2.gz MALVVOLZOZYBGL-KGLIPLIRSA-N 0 3 353.467 -0.116 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000672695176 484678071 /nfs/dbraw/zinc/67/80/71/484678071.db2.gz MALVVOLZOZYBGL-UONOGXRCSA-N 0 3 353.467 -0.116 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000672695177 484678435 /nfs/dbraw/zinc/67/84/35/484678435.db2.gz MALVVOLZOZYBGL-ZIAGYGMSSA-N 0 3 353.467 -0.116 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000672695451 484678700 /nfs/dbraw/zinc/67/87/00/484678700.db2.gz GXPUBRGVIOJCCL-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000672695452 484678501 /nfs/dbraw/zinc/67/85/01/484678501.db2.gz GXPUBRGVIOJCCL-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000672695911 484678489 /nfs/dbraw/zinc/67/84/89/484678489.db2.gz VABWKSWNKOBDHJ-HNNXBMFYSA-N 0 3 352.479 -0.042 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000672695914 484678340 /nfs/dbraw/zinc/67/83/40/484678340.db2.gz VABWKSWNKOBDHJ-OAHLLOKOSA-N 0 3 352.479 -0.042 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000672696132 484678565 /nfs/dbraw/zinc/67/85/65/484678565.db2.gz JFRHFVSBVIGBQS-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000672696133 484677831 /nfs/dbraw/zinc/67/78/31/484677831.db2.gz JFRHFVSBVIGBQS-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000672696134 484678575 /nfs/dbraw/zinc/67/85/75/484678575.db2.gz JFRHFVSBVIGBQS-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000672696136 484678465 /nfs/dbraw/zinc/67/84/65/484678465.db2.gz JFRHFVSBVIGBQS-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000672696499 484677756 /nfs/dbraw/zinc/67/77/56/484677756.db2.gz KYIFINYZTGIWPJ-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000672696500 484678681 /nfs/dbraw/zinc/67/86/81/484678681.db2.gz KYIFINYZTGIWPJ-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC ZINC000672696954 484677666 /nfs/dbraw/zinc/67/76/66/484677666.db2.gz OZBQVCLNYHNZTE-BZUAXINKSA-N 0 3 371.478 -0.086 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000672696985 484678628 /nfs/dbraw/zinc/67/86/28/484678628.db2.gz UIRQEZNTKGSYAQ-CVEARBPZSA-N 0 3 370.494 -0.872 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000672696987 484678540 /nfs/dbraw/zinc/67/85/40/484678540.db2.gz UIRQEZNTKGSYAQ-HOTGVXAUSA-N 0 3 370.494 -0.872 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000672696988 484678253 /nfs/dbraw/zinc/67/82/53/484678253.db2.gz UIRQEZNTKGSYAQ-HZPDHXFCSA-N 0 3 370.494 -0.872 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000672696989 484181390 /nfs/dbraw/zinc/18/13/90/484181390.db2.gz UIRQEZNTKGSYAQ-JKSUJKDBSA-N 0 3 370.494 -0.872 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC ZINC000672697071 484677941 /nfs/dbraw/zinc/67/79/41/484677941.db2.gz OZBQVCLNYHNZTE-OAGGEKHMSA-N 0 3 371.478 -0.086 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC ZINC000672697072 484678403 /nfs/dbraw/zinc/67/84/03/484678403.db2.gz OZBQVCLNYHNZTE-OWCLPIDISA-N 0 3 371.478 -0.086 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC ZINC000672697073 484678293 /nfs/dbraw/zinc/67/82/93/484678293.db2.gz OZBQVCLNYHNZTE-PMPSAXMXSA-N 0 3 371.478 -0.086 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000672697328 484677785 /nfs/dbraw/zinc/67/77/85/484677785.db2.gz QPQLGJLIOJBXGQ-HNNXBMFYSA-N 0 3 354.495 -0.108 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000672697330 484187686 /nfs/dbraw/zinc/18/76/86/484187686.db2.gz QPQLGJLIOJBXGQ-OAHLLOKOSA-N 0 3 354.495 -0.108 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000672697559 484677656 /nfs/dbraw/zinc/67/76/56/484677656.db2.gz YVRAASKHNGPYSH-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000672697561 484677993 /nfs/dbraw/zinc/67/79/93/484677993.db2.gz YVRAASKHNGPYSH-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000672697562 484678303 /nfs/dbraw/zinc/67/83/03/484678303.db2.gz YVRAASKHNGPYSH-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000672697563 484188903 /nfs/dbraw/zinc/18/89/03/484188903.db2.gz YVRAASKHNGPYSH-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000672697950 484677875 /nfs/dbraw/zinc/67/78/75/484677875.db2.gz FCKCUURINLILTJ-CABCVRRESA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000672697951 484677889 /nfs/dbraw/zinc/67/78/89/484677889.db2.gz FCKCUURINLILTJ-GJZGRUSLSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000672697952 484678419 /nfs/dbraw/zinc/67/84/19/484678419.db2.gz FCKCUURINLILTJ-HUUCEWRRSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000672697953 484678644 /nfs/dbraw/zinc/67/86/44/484678644.db2.gz FCKCUURINLILTJ-LSDHHAIUSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 ZINC000672698360 484677846 /nfs/dbraw/zinc/67/78/46/484677846.db2.gz BKSVAFPNGDLHHX-CABCVRRESA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 ZINC000672698361 484678752 /nfs/dbraw/zinc/67/87/52/484678752.db2.gz BKSVAFPNGDLHHX-GJZGRUSLSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 ZINC000672698362 484678004 /nfs/dbraw/zinc/67/80/04/484678004.db2.gz BKSVAFPNGDLHHX-HUUCEWRRSA-N 0 3 368.478 -0.269 20 0 FBADHN CC[C@@H](NC(=O)C(=O)N[C@@H](CC)CN1CCCC1)C(=O)N1CCOCC1 ZINC000672698363 484677727 /nfs/dbraw/zinc/67/77/27/484677727.db2.gz BKSVAFPNGDLHHX-LSDHHAIUSA-N 0 3 368.478 -0.269 20 0 FBADHN CN1CCC(n2ccc(NC(=O)NCCOCCS(N)(=O)=O)n2)CC1 ZINC000672750640 485337391 /nfs/dbraw/zinc/33/73/91/485337391.db2.gz MFBHTBPPZPTSIO-UHFFFAOYSA-N 0 3 374.467 -0.424 20 0 FBADHN NC(=O)c1cc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)on1 ZINC000672757441 484680185 /nfs/dbraw/zinc/68/01/85/484680185.db2.gz ZRIJJDPGVFKNNH-UHFFFAOYSA-N 0 3 358.358 -0.867 20 0 FBADHN Cc1cccn2cc(CCNC(=O)C(=O)NCCOCCN(C)C)nc12 ZINC000672764150 484679481 /nfs/dbraw/zinc/67/94/81/484679481.db2.gz IFDWMFBMURVXLE-UHFFFAOYSA-N 0 3 361.446 -0.004 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000672807973 484680650 /nfs/dbraw/zinc/68/06/50/484680650.db2.gz DSVJBXQXWDUSDD-UHFFFAOYSA-N 0 3 370.523 -0.223 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000672808504 484681129 /nfs/dbraw/zinc/68/11/29/484681129.db2.gz QCZBJRQLUNZIMW-UHFFFAOYSA-N 0 3 357.480 -0.138 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000672815571 484681810 /nfs/dbraw/zinc/68/18/10/484681810.db2.gz WXNXCZNEJXRXBS-KBPBESRZSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000672815572 484681849 /nfs/dbraw/zinc/68/18/49/484681849.db2.gz WXNXCZNEJXRXBS-KGLIPLIRSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000672815574 484681975 /nfs/dbraw/zinc/68/19/75/484681975.db2.gz WXNXCZNEJXRXBS-UONOGXRCSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000672815576 484682535 /nfs/dbraw/zinc/68/25/35/484682535.db2.gz WXNXCZNEJXRXBS-ZIAGYGMSSA-N 0 3 353.467 -0.164 20 0 FBADHN Cc1nnc(CNC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)s1 ZINC000672826191 484681825 /nfs/dbraw/zinc/68/18/25/484681825.db2.gz KYRAAMNTOWCDAW-CYBMUJFWSA-N 0 3 366.491 -0.299 20 0 FBADHN Cc1nnc(CNC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)s1 ZINC000672826192 484682479 /nfs/dbraw/zinc/68/24/79/484682479.db2.gz KYRAAMNTOWCDAW-ZDUSSCGKSA-N 0 3 366.491 -0.299 20 0 FBADHN CN(C)C(=O)CN1CCC(NC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672851878 484681934 /nfs/dbraw/zinc/68/19/34/484681934.db2.gz HCHSJZCUKXWQAI-UHFFFAOYSA-N 0 3 369.510 -0.363 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N(CCO)CC(C)(C)C)CC1(C)C ZINC000672854292 484682128 /nfs/dbraw/zinc/68/21/28/484682128.db2.gz KXZSBPKTWWPUBH-UHFFFAOYSA-N 0 3 356.511 -0.004 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)CC1(C)C ZINC000672854407 484682150 /nfs/dbraw/zinc/68/21/50/484682150.db2.gz CWRHVOWWRXOTMN-GOSISDBHSA-N 0 3 368.478 -0.854 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)CC1(C)C ZINC000672854411 484682440 /nfs/dbraw/zinc/68/24/40/484682440.db2.gz CWRHVOWWRXOTMN-SFHVURJKSA-N 0 3 368.478 -0.854 20 0 FBADHN COC1(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCOCC1 ZINC000672854536 484682665 /nfs/dbraw/zinc/68/26/65/484682665.db2.gz OGJHTASLLAOFKT-UHFFFAOYSA-N 0 3 370.494 -0.560 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1(C)C ZINC000672854586 484681862 /nfs/dbraw/zinc/68/18/62/484681862.db2.gz CHFIHKLJBYYKDL-KKUMJFAQSA-N 0 3 352.479 -0.642 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1(C)C ZINC000672854587 484682612 /nfs/dbraw/zinc/68/26/12/484682612.db2.gz CHFIHKLJBYYKDL-RRFJBIMHSA-N 0 3 352.479 -0.642 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1(C)C ZINC000672854588 484682366 /nfs/dbraw/zinc/68/23/66/484682366.db2.gz CHFIHKLJBYYKDL-SOUVJXGZSA-N 0 3 352.479 -0.642 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1(C)C ZINC000672854589 484682041 /nfs/dbraw/zinc/68/20/41/484682041.db2.gz CHFIHKLJBYYKDL-ZNMIVQPWSA-N 0 3 352.479 -0.642 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCOCC3(CC3)C2)CC1(C)C ZINC000672854644 484682741 /nfs/dbraw/zinc/68/27/41/484682741.db2.gz XOUGAYGGOVPDNP-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1(C)C ZINC000672854777 484682183 /nfs/dbraw/zinc/68/21/83/484682183.db2.gz CMKRQAMAICDGSM-GOSISDBHSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1(C)C ZINC000672854778 484681963 /nfs/dbraw/zinc/68/19/63/484681963.db2.gz CMKRQAMAICDGSM-SFHVURJKSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCOC3(CCC3)C2)CC1(C)C ZINC000672854788 484682070 /nfs/dbraw/zinc/68/20/70/484682070.db2.gz GHDYUWIMFKYFCR-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN Cc1cn2c(n1)CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CC2 ZINC000672854839 484681888 /nfs/dbraw/zinc/68/18/88/484681888.db2.gz FJANEAQLXGQEOX-UHFFFAOYSA-N 0 3 362.478 -0.324 20 0 FBADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2)cn1 ZINC000672889250 484683449 /nfs/dbraw/zinc/68/34/49/484683449.db2.gz MSVNEWJDPHIRNZ-CABCVRRESA-N 0 3 360.462 -0.188 20 0 FBADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)C2)cn1 ZINC000672889253 484684385 /nfs/dbraw/zinc/68/43/85/484684385.db2.gz MSVNEWJDPHIRNZ-GJZGRUSLSA-N 0 3 360.462 -0.188 20 0 FBADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2)cn1 ZINC000672889254 484683291 /nfs/dbraw/zinc/68/32/91/484683291.db2.gz MSVNEWJDPHIRNZ-HUUCEWRRSA-N 0 3 360.462 -0.188 20 0 FBADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)C2)cn1 ZINC000672889255 484684574 /nfs/dbraw/zinc/68/45/74/484684574.db2.gz MSVNEWJDPHIRNZ-LSDHHAIUSA-N 0 3 360.462 -0.188 20 0 FBADHN C[C@@H](CNC(=O)N1CCN(CCO)C(C)(C)C1)CN1CCN(C)CC1 ZINC000672899298 484683388 /nfs/dbraw/zinc/68/33/88/484683388.db2.gz LFHCXKYUODJAMA-INIZCTEOSA-N 0 3 355.527 -0.032 20 0 FBADHN C[C@H](CNC(=O)N1CCN(CCO)C(C)(C)C1)CN1CCN(C)CC1 ZINC000672899299 484683754 /nfs/dbraw/zinc/68/37/54/484683754.db2.gz LFHCXKYUODJAMA-MRXNPFEDSA-N 0 3 355.527 -0.032 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCO1 ZINC000672943236 484685071 /nfs/dbraw/zinc/68/50/71/484685071.db2.gz OITORMKLBCJUEM-BZUAXINKSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCO1 ZINC000672943237 484685501 /nfs/dbraw/zinc/68/55/01/484685501.db2.gz OITORMKLBCJUEM-OAGGEKHMSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCO1 ZINC000672943238 484685045 /nfs/dbraw/zinc/68/50/45/484685045.db2.gz OITORMKLBCJUEM-OWCLPIDISA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCO1 ZINC000672943239 484685607 /nfs/dbraw/zinc/68/56/07/484685607.db2.gz OITORMKLBCJUEM-PMPSAXMXSA-N 0 3 352.479 -0.092 20 0 FBADHN CN1CCN([C@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)CC2)CC1 ZINC000672961257 484686568 /nfs/dbraw/zinc/68/65/68/484686568.db2.gz FJEUVSANGPJMLK-IYBDPMFKSA-N 0 3 351.495 -0.565 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)C1 ZINC000672961470 484686360 /nfs/dbraw/zinc/68/63/60/484686360.db2.gz LTSCRZWMRCAMHK-HNNXBMFYSA-N 0 3 363.466 -0.977 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)C1 ZINC000672961472 484686197 /nfs/dbraw/zinc/68/61/97/484686197.db2.gz LTSCRZWMRCAMHK-OAHLLOKOSA-N 0 3 363.466 -0.977 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)S(C)(=O)=O ZINC000672963254 484534972 /nfs/dbraw/zinc/53/49/72/484534972.db2.gz NOGGFXHIKXENDZ-GFCCVEGCSA-N 0 3 354.432 -0.721 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)S(C)(=O)=O ZINC000672963255 484534925 /nfs/dbraw/zinc/53/49/25/484534925.db2.gz NOGGFXHIKXENDZ-LBPRGKRZSA-N 0 3 354.432 -0.721 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000672963579 484686233 /nfs/dbraw/zinc/68/62/33/484686233.db2.gz MIFIHQQGLOPDSM-CHWSQXEVSA-N 0 3 363.480 -0.847 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000672963580 484686447 /nfs/dbraw/zinc/68/64/47/484686447.db2.gz MIFIHQQGLOPDSM-OLZOCXBDSA-N 0 3 363.480 -0.847 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000672963581 484686263 /nfs/dbraw/zinc/68/62/63/484686263.db2.gz MIFIHQQGLOPDSM-QWHCGFSZSA-N 0 3 363.480 -0.847 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000672963582 484686381 /nfs/dbraw/zinc/68/63/81/484686381.db2.gz MIFIHQQGLOPDSM-STQMWFEESA-N 0 3 363.480 -0.847 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCC1 ZINC000672979995 484687806 /nfs/dbraw/zinc/68/78/06/484687806.db2.gz RXRLLYANWGIHFF-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCC1 ZINC000672979996 484687429 /nfs/dbraw/zinc/68/74/29/484687429.db2.gz RXRLLYANWGIHFF-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCNC(=O)C1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000672980725 484687411 /nfs/dbraw/zinc/68/74/11/484687411.db2.gz MVRSTRSFMUJJLU-UHFFFAOYSA-N 0 3 368.478 -0.412 20 0 FBADHN C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672985538 484687920 /nfs/dbraw/zinc/68/79/20/484687920.db2.gz FIACEGCFICXMKF-KBPBESRZSA-N 0 3 352.435 -0.953 20 0 FBADHN C[C@H]1OCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672985539 484687110 /nfs/dbraw/zinc/68/71/10/484687110.db2.gz FIACEGCFICXMKF-KGLIPLIRSA-N 0 3 352.435 -0.953 20 0 FBADHN C[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672985540 484687741 /nfs/dbraw/zinc/68/77/41/484687741.db2.gz FIACEGCFICXMKF-UONOGXRCSA-N 0 3 352.435 -0.953 20 0 FBADHN C[C@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672985541 484687282 /nfs/dbraw/zinc/68/72/82/484687282.db2.gz FIACEGCFICXMKF-ZIAGYGMSSA-N 0 3 352.435 -0.953 20 0 FBADHN COC1(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)CCOCC1 ZINC000672994607 484689039 /nfs/dbraw/zinc/68/90/39/484689039.db2.gz AHCSOADQYPHPKF-UHFFFAOYSA-N 0 3 358.483 -0.750 20 0 FBADHN COC1(CNC(=O)C(=O)N2CCC(OCCN(C)C)CC2)CCOCC1 ZINC000672994778 484688513 /nfs/dbraw/zinc/68/85/13/484688513.db2.gz IJPFAIPEUOCAHU-UHFFFAOYSA-N 0 3 371.478 -0.133 20 0 FBADHN COC1(CNC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CCOCC1 ZINC000672994873 484688673 /nfs/dbraw/zinc/68/86/73/484688673.db2.gz KLUNRPMUVLYMLI-HNNXBMFYSA-N 0 3 371.478 -0.085 20 0 FBADHN COC1(CNC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CCOCC1 ZINC000672994874 484688497 /nfs/dbraw/zinc/68/84/97/484688497.db2.gz KLUNRPMUVLYMLI-OAHLLOKOSA-N 0 3 371.478 -0.085 20 0 FBADHN COC1(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCOCC1 ZINC000672995993 484688896 /nfs/dbraw/zinc/68/88/96/484688896.db2.gz ZYUFZSWWWGVCDK-HNNXBMFYSA-N 0 3 371.478 -0.133 20 0 FBADHN COC1(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCOCC1 ZINC000672995994 484688993 /nfs/dbraw/zinc/68/89/93/484688993.db2.gz ZYUFZSWWWGVCDK-OAHLLOKOSA-N 0 3 371.478 -0.133 20 0 FBADHN CC(C)OCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000673004222 484690082 /nfs/dbraw/zinc/69/00/82/484690082.db2.gz NDWRUIZNKGYBMB-AWEZNQCLSA-N 0 3 354.451 -0.707 20 0 FBADHN CC(C)OCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000673004226 484690494 /nfs/dbraw/zinc/69/04/94/484690494.db2.gz NDWRUIZNKGYBMB-CQSZACIVSA-N 0 3 354.451 -0.707 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCOC(C)C)CC1 ZINC000673007837 484690190 /nfs/dbraw/zinc/69/01/90/484690190.db2.gz ORMMQYVJNJGBHC-UHFFFAOYSA-N 0 3 356.467 -0.460 20 0 FBADHN CC(C)OCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000673008207 484690595 /nfs/dbraw/zinc/69/05/95/484690595.db2.gz MFQCXVKOIZUEDQ-UHFFFAOYSA-N 0 3 354.451 -0.706 20 0 FBADHN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2=O)cn1 ZINC000673059391 484692765 /nfs/dbraw/zinc/69/27/65/484692765.db2.gz ZMWFTEODLXHXTA-DZGCQCFKSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cn1 ZINC000673059397 484692729 /nfs/dbraw/zinc/69/27/29/484692729.db2.gz ZMWFTEODLXHXTA-HIFRSBDPSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cn1 ZINC000673059399 484692776 /nfs/dbraw/zinc/69/27/76/484692776.db2.gz ZMWFTEODLXHXTA-UKRRQHHQSA-N 0 3 374.445 -0.662 20 0 FBADHN Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2=O)cn1 ZINC000673059400 484692497 /nfs/dbraw/zinc/69/24/97/484692497.db2.gz ZMWFTEODLXHXTA-ZFWWWQNUSA-N 0 3 374.445 -0.662 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)n1 ZINC000673092976 484695792 /nfs/dbraw/zinc/69/57/92/484695792.db2.gz WOXHXMAQKUZSBC-KRWDZBQOSA-N 0 3 365.434 -0.209 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)n1 ZINC000673092977 484694735 /nfs/dbraw/zinc/69/47/35/484694735.db2.gz WOXHXMAQKUZSBC-QGZVFWFLSA-N 0 3 365.434 -0.209 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)cn1 ZINC000673093123 484695574 /nfs/dbraw/zinc/69/55/74/484695574.db2.gz WYSPMTPGGBGAJP-KRWDZBQOSA-N 0 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484695319 /nfs/dbraw/zinc/69/53/19/484695319.db2.gz IWDYTAVQKMCBEF-HUUCEWRRSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCOC[C@H]2[C@H]2CCCO2)cn1 ZINC000673114064 484695116 /nfs/dbraw/zinc/69/51/16/484695116.db2.gz IWDYTAVQKMCBEF-LSDHHAIUSA-N 0 3 365.434 -0.210 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC[C@@H]3CCOC3)CC2)C1 ZINC000673114871 484695891 /nfs/dbraw/zinc/69/58/91/484695891.db2.gz NGRHTLQNCSDYMV-CVEARBPZSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC[C@H]3CCOC3)CC2)C1 ZINC000673114872 484694833 /nfs/dbraw/zinc/69/48/33/484694833.db2.gz NGRHTLQNCSDYMV-HOTGVXAUSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[C@@H]3CCOC3)CC2)C1 ZINC000673114873 484694985 /nfs/dbraw/zinc/69/49/85/484694985.db2.gz NGRHTLQNCSDYMV-HZPDHXFCSA-N 0 3 352.479 -0.232 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[C@H]3CCOC3)CC2)C1 ZINC000673114874 484695672 /nfs/dbraw/zinc/69/56/72/484695672.db2.gz NGRHTLQNCSDYMV-JKSUJKDBSA-N 0 3 352.479 -0.232 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000673143895 484696812 /nfs/dbraw/zinc/69/68/12/484696812.db2.gz PLRHAQFQEYAPIY-CABCVRRESA-N 0 3 368.478 -0.461 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000673143896 484697674 /nfs/dbraw/zinc/69/76/74/484697674.db2.gz PLRHAQFQEYAPIY-GJZGRUSLSA-N 0 3 368.478 -0.461 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000673143897 484697613 /nfs/dbraw/zinc/69/76/13/484697613.db2.gz PLRHAQFQEYAPIY-HUUCEWRRSA-N 0 3 368.478 -0.461 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000673143898 484697167 /nfs/dbraw/zinc/69/71/67/484697167.db2.gz PLRHAQFQEYAPIY-LSDHHAIUSA-N 0 3 368.478 -0.461 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673148252 484696715 /nfs/dbraw/zinc/69/67/15/484696715.db2.gz YNAWVUFDXCDUEY-INIZCTEOSA-N 0 3 370.494 -0.606 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673148259 484697295 /nfs/dbraw/zinc/69/72/95/484697295.db2.gz YNAWVUFDXCDUEY-MRXNPFEDSA-N 0 3 370.494 -0.606 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000673148713 484696547 /nfs/dbraw/zinc/69/65/47/484696547.db2.gz MWAIEEPNJWJZPG-CABCVRRESA-N 0 3 357.451 -0.523 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000673148714 484696847 /nfs/dbraw/zinc/69/68/47/484696847.db2.gz MWAIEEPNJWJZPG-GJZGRUSLSA-N 0 3 357.451 -0.523 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000673148715 484696911 /nfs/dbraw/zinc/69/69/11/484696911.db2.gz MWAIEEPNJWJZPG-HUUCEWRRSA-N 0 3 357.451 -0.523 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000673148716 484696877 /nfs/dbraw/zinc/69/68/77/484696877.db2.gz MWAIEEPNJWJZPG-LSDHHAIUSA-N 0 3 357.451 -0.523 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C1CC1 ZINC000673167627 484696754 /nfs/dbraw/zinc/69/67/54/484696754.db2.gz DWQOYZBVSRCSFE-CVEARBPZSA-N 0 3 352.479 -0.234 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C1CC1 ZINC000673167628 484697642 /nfs/dbraw/zinc/69/76/42/484697642.db2.gz DWQOYZBVSRCSFE-HOTGVXAUSA-N 0 3 352.479 -0.234 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C1CC1 ZINC000673167629 484697033 /nfs/dbraw/zinc/69/70/33/484697033.db2.gz DWQOYZBVSRCSFE-HZPDHXFCSA-N 0 3 352.479 -0.234 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C1CC1 ZINC000673167630 484696999 /nfs/dbraw/zinc/69/69/99/484696999.db2.gz DWQOYZBVSRCSFE-JKSUJKDBSA-N 0 3 352.479 -0.234 20 0 FBADHN CCCN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000673178223 484698365 /nfs/dbraw/zinc/69/83/65/484698365.db2.gz ZSNYDRNJGBDHKS-AWEZNQCLSA-N 0 3 361.512 -0.006 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCOCC3)CC2)C1 ZINC000673181556 484698558 /nfs/dbraw/zinc/69/85/58/484698558.db2.gz MFNZWVFERCGPIY-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCOCC3)CC2)C1 ZINC000673181557 484698752 /nfs/dbraw/zinc/69/87/52/484698752.db2.gz MFNZWVFERCGPIY-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCOCC3)CC2)C1 ZINC000673181558 484698334 /nfs/dbraw/zinc/69/83/34/484698334.db2.gz MFNZWVFERCGPIY-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCCOCC3)CC2)C1 ZINC000673181559 484698805 /nfs/dbraw/zinc/69/88/05/484698805.db2.gz MFNZWVFERCGPIY-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000673338871 484706035 /nfs/dbraw/zinc/70/60/35/484706035.db2.gz IFCWDEAPAPWTJV-CABCVRRESA-N 0 3 371.478 -0.134 20 0 FBADHN COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000673338872 484706280 /nfs/dbraw/zinc/70/62/80/484706280.db2.gz IFCWDEAPAPWTJV-GJZGRUSLSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000673338873 484706572 /nfs/dbraw/zinc/70/65/72/484706572.db2.gz IFCWDEAPAPWTJV-HUUCEWRRSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000673338874 484705875 /nfs/dbraw/zinc/70/58/75/484705875.db2.gz IFCWDEAPAPWTJV-LSDHHAIUSA-N 0 3 371.478 -0.134 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000673338883 484705956 /nfs/dbraw/zinc/70/59/56/484705956.db2.gz JRLNDAJQHOHNJM-ARFHVFGLSA-N 0 3 371.478 -0.277 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000673338884 484706051 /nfs/dbraw/zinc/70/60/51/484706051.db2.gz JRLNDAJQHOHNJM-BZUAXINKSA-N 0 3 371.478 -0.277 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000673338885 484706170 /nfs/dbraw/zinc/70/61/70/484706170.db2.gz JRLNDAJQHOHNJM-HRCADAONSA-N 0 3 371.478 -0.277 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000673338886 484706116 /nfs/dbraw/zinc/70/61/16/484706116.db2.gz JRLNDAJQHOHNJM-OWCLPIDISA-N 0 3 371.478 -0.277 20 0 FBADHN Cc1cn2c(n1)[C@H](CNC(=O)C(=O)NCCOCCN(C)C)CCC2 ZINC000673351123 484706342 /nfs/dbraw/zinc/70/63/42/484706342.db2.gz VIRCXYYYMHELRZ-AWEZNQCLSA-N 0 3 351.451 -0.120 20 0 FBADHN Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)NCCOCCN(C)C)CCC2 ZINC000673351124 484705621 /nfs/dbraw/zinc/70/56/21/484705621.db2.gz VIRCXYYYMHELRZ-CQSZACIVSA-N 0 3 351.451 -0.120 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673351128 484706307 /nfs/dbraw/zinc/70/63/07/484706307.db2.gz WURSSLDTDPJIPW-HNNXBMFYSA-N 0 3 356.467 -0.996 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673351129 484705853 /nfs/dbraw/zinc/70/58/53/484705853.db2.gz WURSSLDTDPJIPW-OAHLLOKOSA-N 0 3 356.467 -0.996 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673351261 484706601 /nfs/dbraw/zinc/70/66/01/484706601.db2.gz DGUCWGGODLTTSM-HNNXBMFYSA-N 0 3 368.478 -0.412 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673351262 484705904 /nfs/dbraw/zinc/70/59/04/484705904.db2.gz DGUCWGGODLTTSM-OAHLLOKOSA-N 0 3 368.478 -0.412 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@]2(CCOC2)O1 ZINC000673351266 484705744 /nfs/dbraw/zinc/70/57/44/484705744.db2.gz GBFGGFCAYBDXGZ-PBHICJAKSA-N 0 3 357.451 -0.523 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@]2(CCOC2)O1 ZINC000673351267 484705632 /nfs/dbraw/zinc/70/56/32/484705632.db2.gz GBFGGFCAYBDXGZ-RHSMWYFYSA-N 0 3 357.451 -0.523 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@]2(CCOC2)O1 ZINC000673351268 484706485 /nfs/dbraw/zinc/70/64/85/484706485.db2.gz GBFGGFCAYBDXGZ-WMLDXEAASA-N 0 3 357.451 -0.523 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@]2(CCOC2)O1 ZINC000673351269 484706074 /nfs/dbraw/zinc/70/60/74/484706074.db2.gz GBFGGFCAYBDXGZ-YOEHRIQHSA-N 0 3 357.451 -0.523 20 0 FBADHN Cc1nccnc1N1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000673351318 484706625 /nfs/dbraw/zinc/70/66/25/484706625.db2.gz SGKJENKRZPEMLL-UHFFFAOYSA-N 0 3 364.450 -0.872 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@H](C(F)(F)F)O1 ZINC000673351390 484706212 /nfs/dbraw/zinc/70/62/12/484706212.db2.gz KTIQQWQRXHHLGD-GHMZBOCLSA-N 0 3 355.357 -0.141 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H](C(F)(F)F)O1 ZINC000673351391 484197885 /nfs/dbraw/zinc/19/78/85/484197885.db2.gz KTIQQWQRXHHLGD-MNOVXSKESA-N 0 3 355.357 -0.141 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H](C(F)(F)F)O1 ZINC000673351392 484197364 /nfs/dbraw/zinc/19/73/64/484197364.db2.gz KTIQQWQRXHHLGD-QWRGUYRKSA-N 0 3 355.357 -0.141 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@H](C(F)(F)F)O1 ZINC000673351393 484197322 /nfs/dbraw/zinc/19/73/22/484197322.db2.gz KTIQQWQRXHHLGD-WDEREUQCSA-N 0 3 355.357 -0.141 20 0 FBADHN CC(C)N1C(=O)CN(C(=O)C(=O)NCCOCCN(C)C)CC1(C)C ZINC000673351420 484705933 /nfs/dbraw/zinc/70/59/33/484705933.db2.gz QZFIVHQWGDJLBW-UHFFFAOYSA-N 0 3 356.467 -0.461 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000673351518 484707620 /nfs/dbraw/zinc/70/76/20/484707620.db2.gz RKSPWGVVPVEIEY-AWEZNQCLSA-N 0 3 351.451 -0.050 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000673351519 484707405 /nfs/dbraw/zinc/70/74/05/484707405.db2.gz RKSPWGVVPVEIEY-CQSZACIVSA-N 0 3 351.451 -0.050 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000673351599 484707539 /nfs/dbraw/zinc/70/75/39/484707539.db2.gz LZEFWULRONGXQC-KRWDZBQOSA-N 0 3 357.451 -0.523 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000673351600 484707449 /nfs/dbraw/zinc/70/74/49/484707449.db2.gz LZEFWULRONGXQC-QGZVFWFLSA-N 0 3 357.451 -0.523 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000673351668 484707718 /nfs/dbraw/zinc/70/77/18/484707718.db2.gz YTQYHGBYBJGIGH-UHFFFAOYSA-N 0 3 371.482 -0.667 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000673351683 484707303 /nfs/dbraw/zinc/70/73/03/484707303.db2.gz CEEZKQQJQNWXAN-MRXNPFEDSA-N 0 3 370.494 -0.748 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000673351708 484707604 /nfs/dbraw/zinc/70/76/04/484707604.db2.gz IXRSPVUYBOURNK-UHFFFAOYSA-N 0 3 368.400 -0.223 20 0 FBADHN CC(=O)Nc1ccc(CNC(=O)C(=O)NCCOCCN(C)C)cn1 ZINC000673351776 484707676 /nfs/dbraw/zinc/70/76/76/484707676.db2.gz AETOAYXGXLMZAC-UHFFFAOYSA-N 0 3 351.407 -0.649 20 0 FBADHN Cc1csc(N2CCN(C(=O)C(=O)NCCOCCN(C)C)CC2)n1 ZINC000673351809 484707153 /nfs/dbraw/zinc/70/71/53/484707153.db2.gz IRYCIYILTOJSDE-UHFFFAOYSA-N 0 3 369.491 -0.205 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000673351972 484201211 /nfs/dbraw/zinc/20/12/11/484201211.db2.gz AQQHKBYJDQRACI-UHFFFAOYSA-N 0 3 358.483 -0.750 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000673351991 484707486 /nfs/dbraw/zinc/70/74/86/484707486.db2.gz DVIKYJZZIYROGU-UHFFFAOYSA-N 0 3 362.430 -0.444 20 0 FBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H](C)O2 ZINC000673352028 484707274 /nfs/dbraw/zinc/70/72/74/484707274.db2.gz KQTKSCBLNFQVCO-CKEIUWERSA-N 0 3 357.451 -0.524 20 0 FBADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H](C)O2 ZINC000673352029 484707528 /nfs/dbraw/zinc/70/75/28/484707528.db2.gz KQTKSCBLNFQVCO-CPUCHLNUSA-N 0 3 357.451 -0.524 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H](C)O2 ZINC000673352030 484707345 /nfs/dbraw/zinc/70/73/45/484707345.db2.gz KQTKSCBLNFQVCO-JKIFEVAISA-N 0 3 357.451 -0.524 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H](C)O2 ZINC000673352031 484707493 /nfs/dbraw/zinc/70/74/93/484707493.db2.gz KQTKSCBLNFQVCO-KEYYUXOJSA-N 0 3 357.451 -0.524 20 0 FBADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000673353622 484707757 /nfs/dbraw/zinc/70/77/57/484707757.db2.gz HZEMTBNHYOFGGT-AWEZNQCLSA-N 0 3 359.430 -0.143 20 0 FBADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000673353626 484707752 /nfs/dbraw/zinc/70/77/52/484707752.db2.gz HZEMTBNHYOFGGT-CQSZACIVSA-N 0 3 359.430 -0.143 20 0 FBADHN CCn1ncnc1CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000673406116 484708803 /nfs/dbraw/zinc/70/88/03/484708803.db2.gz NAUOGDZYHVDUJA-AWEZNQCLSA-N 0 3 363.466 -0.847 20 0 FBADHN CCn1ncnc1CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000673406117 484708456 /nfs/dbraw/zinc/70/84/56/484708456.db2.gz NAUOGDZYHVDUJA-CQSZACIVSA-N 0 3 363.466 -0.847 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N1CC[C@@H](CO)C1 ZINC000673424221 484710381 /nfs/dbraw/zinc/71/03/81/484710381.db2.gz JLWJBBCWNLPAIO-PBHICJAKSA-N 0 3 361.442 -0.290 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N1CC[C@@H](CO)C1 ZINC000673424222 484709451 /nfs/dbraw/zinc/70/94/51/484709451.db2.gz JLWJBBCWNLPAIO-RHSMWYFYSA-N 0 3 361.442 -0.290 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N1CC[C@H](CO)C1 ZINC000673424223 484709321 /nfs/dbraw/zinc/70/93/21/484709321.db2.gz JLWJBBCWNLPAIO-WMLDXEAASA-N 0 3 361.442 -0.290 20 0 FBADHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N1CC[C@H](CO)C1 ZINC000673424224 484709301 /nfs/dbraw/zinc/70/93/01/484709301.db2.gz JLWJBBCWNLPAIO-YOEHRIQHSA-N 0 3 361.442 -0.290 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CCCO1 ZINC000673427198 484710010 /nfs/dbraw/zinc/71/00/10/484710010.db2.gz FCULWIIQHKWOHO-CXAGYDPISA-N 0 3 354.451 -0.673 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CCCO1 ZINC000673427199 484710256 /nfs/dbraw/zinc/71/02/56/484710256.db2.gz FCULWIIQHKWOHO-DYVFJYSZSA-N 0 3 354.451 -0.673 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CCCO1 ZINC000673427200 484709467 /nfs/dbraw/zinc/70/94/67/484709467.db2.gz FCULWIIQHKWOHO-GUYCJALGSA-N 0 3 354.451 -0.673 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CCCO1 ZINC000673427201 484709855 /nfs/dbraw/zinc/70/98/55/484709855.db2.gz FCULWIIQHKWOHO-SUMWQHHRSA-N 0 3 354.451 -0.673 20 0 FBADHN CCN(Cc1cn(C)nn1)C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000673427203 484709795 /nfs/dbraw/zinc/70/97/95/484709795.db2.gz GQCBGSKXUXWAKI-AWEZNQCLSA-N 0 3 366.466 -0.219 20 0 FBADHN CCN(Cc1cn(C)nn1)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673427204 484709529 /nfs/dbraw/zinc/70/95/29/484709529.db2.gz GQCBGSKXUXWAKI-CQSZACIVSA-N 0 3 366.466 -0.219 20 0 FBADHN COC1(CO)CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000673427317 484709332 /nfs/dbraw/zinc/70/93/32/484709332.db2.gz GXXOUPAJIQSEHH-HNNXBMFYSA-N 0 3 371.478 -0.397 20 0 FBADHN COC1(CO)CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000673427318 484710307 /nfs/dbraw/zinc/71/03/07/484710307.db2.gz GXXOUPAJIQSEHH-OAHLLOKOSA-N 0 3 371.478 -0.397 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CCO1 ZINC000673427470 484709547 /nfs/dbraw/zinc/70/95/47/484709547.db2.gz MNOCEQPAHAERMV-CABCVRRESA-N 0 3 357.451 -0.523 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CCO1 ZINC000673427471 484710055 /nfs/dbraw/zinc/71/00/55/484710055.db2.gz MNOCEQPAHAERMV-GJZGRUSLSA-N 0 3 357.451 -0.523 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CCO1 ZINC000673427472 484710319 /nfs/dbraw/zinc/71/03/19/484710319.db2.gz MNOCEQPAHAERMV-HUUCEWRRSA-N 0 3 357.451 -0.523 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CCO1 ZINC000673427473 484709233 /nfs/dbraw/zinc/70/92/33/484709233.db2.gz MNOCEQPAHAERMV-LSDHHAIUSA-N 0 3 357.451 -0.523 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1=O ZINC000673427804 484709221 /nfs/dbraw/zinc/70/92/21/484709221.db2.gz IJINBJAHZOIHMG-HNNXBMFYSA-N 0 3 368.478 -0.316 20 0 FBADHN CCN1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1=O ZINC000673427806 484709925 /nfs/dbraw/zinc/70/99/25/484709925.db2.gz IJINBJAHZOIHMG-OAHLLOKOSA-N 0 3 368.478 -0.316 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CCCO1 ZINC000673427839 484709881 /nfs/dbraw/zinc/70/98/81/484709881.db2.gz LGWNKTGXCQQWQT-KBPBESRZSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000673427841 484710366 /nfs/dbraw/zinc/71/03/66/484710366.db2.gz LGWNKTGXCQQWQT-KGLIPLIRSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CCCO1 ZINC000673427842 484710210 /nfs/dbraw/zinc/71/02/10/484710210.db2.gz LGWNKTGXCQQWQT-UONOGXRCSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CCCO1 ZINC000673427843 484709818 /nfs/dbraw/zinc/70/98/18/484709818.db2.gz LGWNKTGXCQQWQT-ZIAGYGMSSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000673427948 484709988 /nfs/dbraw/zinc/70/99/88/484709988.db2.gz PLDAIFZSKRSIFF-BZUAXINKSA-N 0 3 370.494 -0.561 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000673427953 484710283 /nfs/dbraw/zinc/71/02/83/484710283.db2.gz PLDAIFZSKRSIFF-OAGGEKHMSA-N 0 3 370.494 -0.561 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000673427954 484709665 /nfs/dbraw/zinc/70/96/65/484709665.db2.gz PLDAIFZSKRSIFF-OWCLPIDISA-N 0 3 370.494 -0.561 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000673427955 484709749 /nfs/dbraw/zinc/70/97/49/484709749.db2.gz PLDAIFZSKRSIFF-PMPSAXMXSA-N 0 3 370.494 -0.561 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)CCCO1 ZINC000673428023 484710165 /nfs/dbraw/zinc/71/01/65/484710165.db2.gz XBTPBUWXTPKWLD-NEPJUHHUSA-N 0 3 369.384 -0.015 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)CCCO1 ZINC000673428027 484709263 /nfs/dbraw/zinc/70/92/63/484709263.db2.gz XBTPBUWXTPKWLD-NWDGAFQWSA-N 0 3 369.384 -0.015 20 0 FBADHN C[C@H]1CN(CCCNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)CCCO1 ZINC000673428028 484710293 /nfs/dbraw/zinc/71/02/93/484710293.db2.gz XBTPBUWXTPKWLD-RYUDHWBXSA-N 0 3 369.384 -0.015 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)CCCO1 ZINC000673428029 484710139 /nfs/dbraw/zinc/71/01/39/484710139.db2.gz XBTPBUWXTPKWLD-VXGBXAGGSA-N 0 3 369.384 -0.015 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 ZINC000673428764 484710111 /nfs/dbraw/zinc/71/01/11/484710111.db2.gz FXPNVOUURCHPPE-GOSISDBHSA-N 0 3 361.446 -0.454 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 ZINC000673428768 484710034 /nfs/dbraw/zinc/71/00/34/484710034.db2.gz FXPNVOUURCHPPE-SFHVURJKSA-N 0 3 361.446 -0.454 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCSC2)CC1 ZINC000673493856 484713255 /nfs/dbraw/zinc/71/32/55/484713255.db2.gz GIDDNFFJUIRDMJ-KBPBESRZSA-N 0 3 368.503 -0.379 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCSC2)CC1 ZINC000673493857 484712550 /nfs/dbraw/zinc/71/25/50/484712550.db2.gz GIDDNFFJUIRDMJ-KGLIPLIRSA-N 0 3 368.503 -0.379 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCSC2)CC1 ZINC000673493858 484712898 /nfs/dbraw/zinc/71/28/98/484712898.db2.gz GIDDNFFJUIRDMJ-UONOGXRCSA-N 0 3 368.503 -0.379 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCSC2)CC1 ZINC000673493859 484712740 /nfs/dbraw/zinc/71/27/40/484712740.db2.gz GIDDNFFJUIRDMJ-ZIAGYGMSSA-N 0 3 368.503 -0.379 20 0 FBADHN O=C(CCn1nnc2ccccc2c1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673510770 484712651 /nfs/dbraw/zinc/71/26/51/484712651.db2.gz COVRKCSKLIFLQO-KBPBESRZSA-N 0 3 357.414 -0.151 20 0 FBADHN O=C(CCn1nnc2ccccc2c1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673510771 484712522 /nfs/dbraw/zinc/71/25/22/484712522.db2.gz COVRKCSKLIFLQO-KGLIPLIRSA-N 0 3 357.414 -0.151 20 0 FBADHN O=C(CCn1nnc2ccccc2c1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673510772 484713308 /nfs/dbraw/zinc/71/33/08/484713308.db2.gz COVRKCSKLIFLQO-UONOGXRCSA-N 0 3 357.414 -0.151 20 0 FBADHN O=C(CCn1nnc2ccccc2c1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673510773 484712823 /nfs/dbraw/zinc/71/28/23/484712823.db2.gz COVRKCSKLIFLQO-ZIAGYGMSSA-N 0 3 357.414 -0.151 20 0 FBADHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1-n1cnnn1 ZINC000673511805 484712697 /nfs/dbraw/zinc/71/26/97/484712697.db2.gz CYPSFJUKWFHFFZ-KBPBESRZSA-N 0 3 358.402 -0.048 20 0 FBADHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1-n1cnnn1 ZINC000673511807 484712678 /nfs/dbraw/zinc/71/26/78/484712678.db2.gz CYPSFJUKWFHFFZ-KGLIPLIRSA-N 0 3 358.402 -0.048 20 0 FBADHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1-n1cnnn1 ZINC000673511810 484713276 /nfs/dbraw/zinc/71/32/76/484713276.db2.gz CYPSFJUKWFHFFZ-UONOGXRCSA-N 0 3 358.402 -0.048 20 0 FBADHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1-n1cnnn1 ZINC000673511812 484712404 /nfs/dbraw/zinc/71/24/04/484712404.db2.gz CYPSFJUKWFHFFZ-ZIAGYGMSSA-N 0 3 358.402 -0.048 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673512192 484712224 /nfs/dbraw/zinc/71/22/24/484712224.db2.gz HTHWLDUGZYEYGY-KBPBESRZSA-N 0 3 364.446 -0.091 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673512193 484713405 /nfs/dbraw/zinc/71/34/05/484713405.db2.gz HTHWLDUGZYEYGY-KGLIPLIRSA-N 0 3 364.446 -0.091 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673512195 484713128 /nfs/dbraw/zinc/71/31/28/484713128.db2.gz HTHWLDUGZYEYGY-UONOGXRCSA-N 0 3 364.446 -0.091 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673512197 484712868 /nfs/dbraw/zinc/71/28/68/484712868.db2.gz HTHWLDUGZYEYGY-ZIAGYGMSSA-N 0 3 364.446 -0.091 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1=O ZINC000673512860 484712612 /nfs/dbraw/zinc/71/26/12/484712612.db2.gz BGFRSQOYYKSXOD-GDZNZVCISA-N 0 3 350.419 -0.626 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1=O ZINC000673512865 484713036 /nfs/dbraw/zinc/71/30/36/484713036.db2.gz BGFRSQOYYKSXOD-IIYDPXPESA-N 0 3 350.419 -0.626 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1=O ZINC000673512866 484712482 /nfs/dbraw/zinc/71/24/82/484712482.db2.gz BGFRSQOYYKSXOD-OGHNNQOOSA-N 0 3 350.419 -0.626 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1=O ZINC000673512867 484713346 /nfs/dbraw/zinc/71/33/46/484713346.db2.gz BGFRSQOYYKSXOD-PBFPGSCMSA-N 0 3 350.419 -0.626 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513533 484713218 /nfs/dbraw/zinc/71/32/18/484713218.db2.gz CFSXDADXRWREBO-NEPJUHHUSA-N 0 3 359.473 -0.306 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673513541 484712323 /nfs/dbraw/zinc/71/23/23/484712323.db2.gz CFSXDADXRWREBO-NWDGAFQWSA-N 0 3 359.473 -0.306 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513543 484713105 /nfs/dbraw/zinc/71/31/05/484713105.db2.gz CFSXDADXRWREBO-RYUDHWBXSA-N 0 3 359.473 -0.306 20 0 FBADHN O=C(CNS(=O)(=O)c1cccs1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513545 483941647 /nfs/dbraw/zinc/94/16/47/483941647.db2.gz CFSXDADXRWREBO-VXGBXAGGSA-N 0 3 359.473 -0.306 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513844 484713017 /nfs/dbraw/zinc/71/30/17/484713017.db2.gz HEECZRCIWHCHSU-KBPBESRZSA-N 0 3 364.446 -0.091 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513845 484712630 /nfs/dbraw/zinc/71/26/30/484712630.db2.gz HEECZRCIWHCHSU-KGLIPLIRSA-N 0 3 364.446 -0.091 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673513846 484713056 /nfs/dbraw/zinc/71/30/56/484713056.db2.gz HEECZRCIWHCHSU-UONOGXRCSA-N 0 3 364.446 -0.091 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513847 484712802 /nfs/dbraw/zinc/71/28/02/484712802.db2.gz HEECZRCIWHCHSU-ZIAGYGMSSA-N 0 3 364.446 -0.091 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673514147 484712535 /nfs/dbraw/zinc/71/25/35/484712535.db2.gz PDLXUDZCNNNHTE-KBPBESRZSA-N 0 3 353.444 -0.124 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673514148 484712457 /nfs/dbraw/zinc/71/24/57/484712457.db2.gz PDLXUDZCNNNHTE-KGLIPLIRSA-N 0 3 353.444 -0.124 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673514149 484712932 /nfs/dbraw/zinc/71/29/32/484712932.db2.gz PDLXUDZCNNNHTE-UONOGXRCSA-N 0 3 353.444 -0.124 20 0 FBADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673514150 484714141 /nfs/dbraw/zinc/71/41/41/484714141.db2.gz PDLXUDZCNNNHTE-ZIAGYGMSSA-N 0 3 353.444 -0.124 20 0 FBADHN CN(CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1ccccc1 ZINC000673514740 484715035 /nfs/dbraw/zinc/71/50/35/484715035.db2.gz KMLHIEURRMTXQA-CABCVRRESA-N 0 3 367.471 -0.025 20 0 FBADHN CN(CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1ccccc1 ZINC000673514743 484714670 /nfs/dbraw/zinc/71/46/70/484714670.db2.gz KMLHIEURRMTXQA-GJZGRUSLSA-N 0 3 367.471 -0.025 20 0 FBADHN CN(CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccccc1 ZINC000673514745 484714068 /nfs/dbraw/zinc/71/40/68/484714068.db2.gz KMLHIEURRMTXQA-HUUCEWRRSA-N 0 3 367.471 -0.025 20 0 FBADHN CN(CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1ccccc1 ZINC000673514747 484714003 /nfs/dbraw/zinc/71/40/03/484714003.db2.gz KMLHIEURRMTXQA-LSDHHAIUSA-N 0 3 367.471 -0.025 20 0 FBADHN CC1(C)NC(=O)N(CCCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1=O ZINC000673514927 484715349 /nfs/dbraw/zinc/71/53/49/484715349.db2.gz LEIYUSUHNRHNIO-CHWSQXEVSA-N 0 3 352.435 -0.236 20 0 FBADHN CC1(C)NC(=O)N(CCCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1=O ZINC000673514937 484714540 /nfs/dbraw/zinc/71/45/40/484714540.db2.gz LEIYUSUHNRHNIO-OLZOCXBDSA-N 0 3 352.435 -0.236 20 0 FBADHN CC1(C)NC(=O)N(CCCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1=O ZINC000673514939 484714952 /nfs/dbraw/zinc/71/49/52/484714952.db2.gz LEIYUSUHNRHNIO-QWHCGFSZSA-N 0 3 352.435 -0.236 20 0 FBADHN CC1(C)NC(=O)N(CCCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1=O ZINC000673514941 484715255 /nfs/dbraw/zinc/71/52/55/484715255.db2.gz LEIYUSUHNRHNIO-STQMWFEESA-N 0 3 352.435 -0.236 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000673517308 484714622 /nfs/dbraw/zinc/71/46/22/484714622.db2.gz SVFJFWPFOXCXNE-HNNXBMFYSA-N 0 3 361.446 -0.291 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000673517315 484714887 /nfs/dbraw/zinc/71/48/87/484714887.db2.gz SVFJFWPFOXCXNE-OAHLLOKOSA-N 0 3 361.446 -0.291 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673517451 484714603 /nfs/dbraw/zinc/71/46/03/484714603.db2.gz MCGSWCVQCAHNRL-CHWSQXEVSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000673517452 484715284 /nfs/dbraw/zinc/71/52/84/484715284.db2.gz MCGSWCVQCAHNRL-OLZOCXBDSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673517453 484715231 /nfs/dbraw/zinc/71/52/31/484715231.db2.gz MCGSWCVQCAHNRL-QWHCGFSZSA-N 0 3 353.444 -0.076 20 0 FBADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000673517454 484715144 /nfs/dbraw/zinc/71/51/44/484715144.db2.gz MCGSWCVQCAHNRL-STQMWFEESA-N 0 3 353.444 -0.076 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000673519433 484714461 /nfs/dbraw/zinc/71/44/61/484714461.db2.gz PGOYYXXXKRMHRO-NEPJUHHUSA-N 0 3 361.489 -0.060 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000673519434 484714444 /nfs/dbraw/zinc/71/44/44/484714444.db2.gz PGOYYXXXKRMHRO-NWDGAFQWSA-N 0 3 361.489 -0.060 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000673519435 484715369 /nfs/dbraw/zinc/71/53/69/484715369.db2.gz PGOYYXXXKRMHRO-RYUDHWBXSA-N 0 3 361.489 -0.060 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000673519436 484714517 /nfs/dbraw/zinc/71/45/17/484714517.db2.gz PGOYYXXXKRMHRO-VXGBXAGGSA-N 0 3 361.489 -0.060 20 0 FBADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000673519623 484714685 /nfs/dbraw/zinc/71/46/85/484714685.db2.gz BQHYHRKMUJLJMF-CABCVRRESA-N 0 3 350.398 -0.057 20 0 FBADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)CN(C)C ZINC000673519624 484714721 /nfs/dbraw/zinc/71/47/21/484714721.db2.gz BQHYHRKMUJLJMF-GJZGRUSLSA-N 0 3 350.398 -0.057 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000673519625 484713969 /nfs/dbraw/zinc/71/39/69/484713969.db2.gz BQHYHRKMUJLJMF-HUUCEWRRSA-N 0 3 350.398 -0.057 20 0 FBADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)CN(C)C ZINC000673519626 484714992 /nfs/dbraw/zinc/71/49/92/484714992.db2.gz BQHYHRKMUJLJMF-LSDHHAIUSA-N 0 3 350.398 -0.057 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673519799 484714250 /nfs/dbraw/zinc/71/42/50/484714250.db2.gz BOSFJRPMMQRQLW-GFCCVEGCSA-N 0 3 363.867 -0.001 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673519800 484715169 /nfs/dbraw/zinc/71/51/69/484715169.db2.gz BOSFJRPMMQRQLW-LBPRGKRZSA-N 0 3 363.867 -0.001 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000673519880 484714386 /nfs/dbraw/zinc/71/43/86/484714386.db2.gz AAKYVBFEHCWUBH-HNNXBMFYSA-N 0 3 363.462 -0.451 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000673519885 484715323 /nfs/dbraw/zinc/71/53/23/484715323.db2.gz AAKYVBFEHCWUBH-OAHLLOKOSA-N 0 3 363.462 -0.451 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000673520121 484714648 /nfs/dbraw/zinc/71/46/48/484714648.db2.gz HPDGGRZDBMINMO-HNNXBMFYSA-N 0 3 360.414 -0.903 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000673520131 484714871 /nfs/dbraw/zinc/71/48/71/484714871.db2.gz HPDGGRZDBMINMO-OAHLLOKOSA-N 0 3 360.414 -0.903 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000673520394 484714790 /nfs/dbraw/zinc/71/47/90/484714790.db2.gz ILKKTGNSAPQEAE-AWEZNQCLSA-N 0 3 370.475 -0.479 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000673520397 484714425 /nfs/dbraw/zinc/71/44/25/484714425.db2.gz ILKKTGNSAPQEAE-CQSZACIVSA-N 0 3 370.475 -0.479 20 0 FBADHN COc1cc(C(=O)N[C@@H](CO)CN(C)C)cc(OC)c1OCC(N)=O ZINC000673520608 484715266 /nfs/dbraw/zinc/71/52/66/484715266.db2.gz KROYFCPGHCTJSQ-LLVKDONJSA-N 0 3 355.391 -0.780 20 0 FBADHN COc1cc(C(=O)N[C@H](CO)CN(C)C)cc(OC)c1OCC(N)=O ZINC000673520609 484714556 /nfs/dbraw/zinc/71/45/56/484714556.db2.gz KROYFCPGHCTJSQ-NSHDSACASA-N 0 3 355.391 -0.780 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H](CO)CN(C)C)cc1 ZINC000673520806 484714586 /nfs/dbraw/zinc/71/45/86/484714586.db2.gz LPSLFVICVJKUBK-AWEZNQCLSA-N 0 3 371.459 -0.404 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000673520817 484714331 /nfs/dbraw/zinc/71/43/31/484714331.db2.gz LPSLFVICVJKUBK-CQSZACIVSA-N 0 3 371.459 -0.404 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000673521010 484713984 /nfs/dbraw/zinc/71/39/84/484713984.db2.gz NRUDPINKAROVIH-CYBMUJFWSA-N 0 3 359.448 -0.736 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN(C)C)cc1 ZINC000673521013 484714966 /nfs/dbraw/zinc/71/49/66/484714966.db2.gz NRUDPINKAROVIH-ZDUSSCGKSA-N 0 3 359.448 -0.736 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000673521186 484714091 /nfs/dbraw/zinc/71/40/91/484714091.db2.gz OOUZNZNSRSLHJS-CHWSQXEVSA-N 0 3 363.414 -0.151 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000673521190 484714568 /nfs/dbraw/zinc/71/45/68/484714568.db2.gz OOUZNZNSRSLHJS-OLZOCXBDSA-N 0 3 363.414 -0.151 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000673521194 484714933 /nfs/dbraw/zinc/71/49/33/484714933.db2.gz OOUZNZNSRSLHJS-QWHCGFSZSA-N 0 3 363.414 -0.151 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000673521197 484714734 /nfs/dbraw/zinc/71/47/34/484714734.db2.gz OOUZNZNSRSLHJS-STQMWFEESA-N 0 3 363.414 -0.151 20 0 FBADHN Cc1nc(C(=O)N[C@@H](CO)CN(C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673521733 484715116 /nfs/dbraw/zinc/71/51/16/484715116.db2.gz RFMGRNMMSVFDTE-SSDOTTSWSA-N 0 3 362.316 -0.635 20 0 FBADHN Cc1nc(C(=O)N[C@H](CO)CN(C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673521735 484714049 /nfs/dbraw/zinc/71/40/49/484714049.db2.gz RFMGRNMMSVFDTE-ZETCQYMHSA-N 0 3 362.316 -0.635 20 0 FBADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](CO)CN(C)C)C2=O ZINC000673521876 484714836 /nfs/dbraw/zinc/71/48/36/484714836.db2.gz FGUPRAKRKZKLMJ-JZLYGMAVSA-N 0 3 354.451 -0.084 20 0 FBADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](CO)CN(C)C)C2=O ZINC000673521879 484714198 /nfs/dbraw/zinc/71/41/98/484714198.db2.gz FGUPRAKRKZKLMJ-UIORMTCPSA-N 0 3 354.451 -0.084 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000673522567 484714081 /nfs/dbraw/zinc/71/40/81/484714081.db2.gz KDOLNOCZALTXNN-CYBMUJFWSA-N 0 3 373.475 -0.428 20 0 FBADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000673522573 484714637 /nfs/dbraw/zinc/71/46/37/484714637.db2.gz KDOLNOCZALTXNN-ZDUSSCGKSA-N 0 3 373.475 -0.428 20 0 FBADHN COc1cc(C(=O)N[C@H](CO)CN(C)C)cc(Cl)c1OCC(N)=O ZINC000673524250 484715296 /nfs/dbraw/zinc/71/52/96/484715296.db2.gz QHLSQDMFEMIRND-JTQLQIEISA-N 0 3 359.810 -0.135 20 0 FBADHN COc1cc(C(=O)N[C@@H](CO)CN(C)C)cc(Cl)c1OCC(N)=O ZINC000673524251 484715307 /nfs/dbraw/zinc/71/53/07/484715307.db2.gz QHLSQDMFEMIRND-SNVBAGLBSA-N 0 3 359.810 -0.135 20 0 FBADHN COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000673524287 484714920 /nfs/dbraw/zinc/71/49/20/484714920.db2.gz QVZDYHZFFKPKAF-CYBMUJFWSA-N 0 3 359.448 -0.736 20 0 FBADHN COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000673524289 484715155 /nfs/dbraw/zinc/71/51/55/484715155.db2.gz QVZDYHZFFKPKAF-ZDUSSCGKSA-N 0 3 359.448 -0.736 20 0 FBADHN COc1cccc(C[C@H](C(=O)N[C@@H](CO)CN(C)C)n2nnnc2C)c1 ZINC000673524435 484714814 /nfs/dbraw/zinc/71/48/14/484714814.db2.gz UQTUVECHFRWPTB-GDBMZVCRSA-N 0 3 362.434 -0.187 20 0 FBADHN COc1cccc(C[C@H](C(=O)N[C@H](CO)CN(C)C)n2nnnc2C)c1 ZINC000673524436 484714160 /nfs/dbraw/zinc/71/41/60/484714160.db2.gz UQTUVECHFRWPTB-GOEBONIOSA-N 0 3 362.434 -0.187 20 0 FBADHN COc1cccc(C[C@@H](C(=O)N[C@H](CO)CN(C)C)n2nnnc2C)c1 ZINC000673524437 484714292 /nfs/dbraw/zinc/71/42/92/484714292.db2.gz UQTUVECHFRWPTB-HOCLYGCPSA-N 0 3 362.434 -0.187 20 0 FBADHN COc1cccc(C[C@@H](C(=O)N[C@@H](CO)CN(C)C)n2nnnc2C)c1 ZINC000673524438 484715194 /nfs/dbraw/zinc/71/51/94/484715194.db2.gz UQTUVECHFRWPTB-ZBFHGGJFSA-N 0 3 362.434 -0.187 20 0 FBADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CO)CN(C)C ZINC000673524499 484714228 /nfs/dbraw/zinc/71/42/28/484714228.db2.gz WRESQVVKDMLNTL-CABCVRRESA-N 0 3 350.398 -0.057 20 0 FBADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](CO)CN(C)C ZINC000673524500 484715061 /nfs/dbraw/zinc/71/50/61/484715061.db2.gz WRESQVVKDMLNTL-GJZGRUSLSA-N 0 3 350.398 -0.057 20 0 FBADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](CO)CN(C)C ZINC000673524501 484714113 /nfs/dbraw/zinc/71/41/13/484714113.db2.gz WRESQVVKDMLNTL-HUUCEWRRSA-N 0 3 350.398 -0.057 20 0 FBADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CO)CN(C)C ZINC000673524502 484714496 /nfs/dbraw/zinc/71/44/96/484714496.db2.gz WRESQVVKDMLNTL-LSDHHAIUSA-N 0 3 350.398 -0.057 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](CO)CN(C)C)c1 ZINC000673524520 484715210 /nfs/dbraw/zinc/71/52/10/484715210.db2.gz XOYOIZCSWAGUFZ-AWEZNQCLSA-N 0 3 371.459 -0.404 20 0 FBADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](CO)CN(C)C)c1 ZINC000673524521 484715010 /nfs/dbraw/zinc/71/50/10/484715010.db2.gz XOYOIZCSWAGUFZ-CQSZACIVSA-N 0 3 371.459 -0.404 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccccc1)N[C@H](CO)CN1CCCC1 ZINC000673529596 484716457 /nfs/dbraw/zinc/71/64/57/484716457.db2.gz DHWKXNVKFNPSNR-AWEZNQCLSA-N 0 3 355.460 -0.072 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H](CO)CN1CCCC1 ZINC000673529597 484715997 /nfs/dbraw/zinc/71/59/97/484715997.db2.gz DHWKXNVKFNPSNR-CQSZACIVSA-N 0 3 355.460 -0.072 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H](CO)CN1CCCC1 ZINC000673530119 484716491 /nfs/dbraw/zinc/71/64/91/484716491.db2.gz DMKIKXPSBVKIHP-CYBMUJFWSA-N 0 3 352.435 -0.186 20 0 FBADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H](CO)CN1CCCC1 ZINC000673530120 484716945 /nfs/dbraw/zinc/71/69/45/484716945.db2.gz DMKIKXPSBVKIHP-ZDUSSCGKSA-N 0 3 352.435 -0.186 20 0 FBADHN COc1cc(C(=O)N[C@@H](CO)CN2CCCC2)ccc1OCC(N)=O ZINC000673530451 484716631 /nfs/dbraw/zinc/71/66/31/484716631.db2.gz IONIYIXMRFPXGY-CYBMUJFWSA-N 0 3 351.403 -0.254 20 0 FBADHN COc1cc(C(=O)N[C@H](CO)CN2CCCC2)ccc1OCC(N)=O ZINC000673530454 484715740 /nfs/dbraw/zinc/71/57/40/484715740.db2.gz IONIYIXMRFPXGY-ZDUSSCGKSA-N 0 3 351.403 -0.254 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673531275 484716615 /nfs/dbraw/zinc/71/66/15/484716615.db2.gz MLKYIHXVICIUQH-LLVKDONJSA-N 0 3 357.432 -0.471 20 0 FBADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000673531277 484715960 /nfs/dbraw/zinc/71/59/60/484715960.db2.gz MLKYIHXVICIUQH-NSHDSACASA-N 0 3 357.432 -0.471 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)CN2CCCC2)ccc1OC ZINC000673531912 484716091 /nfs/dbraw/zinc/71/60/91/484716091.db2.gz PYPAUTWPOHKGLF-CYBMUJFWSA-N 0 3 371.459 -0.210 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)N[C@H](CO)CN2CCCC2)ccc1OC ZINC000673531919 484715984 /nfs/dbraw/zinc/71/59/84/484715984.db2.gz PYPAUTWPOHKGLF-ZDUSSCGKSA-N 0 3 371.459 -0.210 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H](CO)CN1CCCC1 ZINC000673532267 484715753 /nfs/dbraw/zinc/71/57/53/484715753.db2.gz BQSBVSCEAZJDEB-CYBMUJFWSA-N 0 3 352.435 -0.186 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H](CO)CN1CCCC1 ZINC000673532271 484715873 /nfs/dbraw/zinc/71/58/73/484715873.db2.gz BQSBVSCEAZJDEB-ZDUSSCGKSA-N 0 3 352.435 -0.186 20 0 FBADHN CN(CC(=O)N[C@H](CO)CN1CCCC1)S(=O)(=O)c1ccccc1 ZINC000673532391 484716694 /nfs/dbraw/zinc/71/66/94/484716694.db2.gz DPKJUEPGTXGUIN-AWEZNQCLSA-N 0 3 355.460 -0.120 20 0 FBADHN CN(CC(=O)N[C@@H](CO)CN1CCCC1)S(=O)(=O)c1ccccc1 ZINC000673532392 484716187 /nfs/dbraw/zinc/71/61/87/484716187.db2.gz DPKJUEPGTXGUIN-CQSZACIVSA-N 0 3 355.460 -0.120 20 0 FBADHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H](CO)CN3CCCC3)c2C1 ZINC000673532891 484716961 /nfs/dbraw/zinc/71/69/61/484716961.db2.gz YDEBHBAFXHBSSI-CABCVRRESA-N 0 3 363.462 -0.232 20 0 FBADHN CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H](CO)CN3CCCC3)c2C1 ZINC000673532892 484716400 /nfs/dbraw/zinc/71/64/00/484716400.db2.gz YDEBHBAFXHBSSI-GJZGRUSLSA-N 0 3 363.462 -0.232 20 0 FBADHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H](CO)CN3CCCC3)c2C1 ZINC000673532894 484716351 /nfs/dbraw/zinc/71/63/51/484716351.db2.gz YDEBHBAFXHBSSI-HUUCEWRRSA-N 0 3 363.462 -0.232 20 0 FBADHN CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H](CO)CN3CCCC3)c2C1 ZINC000673532895 484716647 /nfs/dbraw/zinc/71/66/47/484716647.db2.gz YDEBHBAFXHBSSI-LSDHHAIUSA-N 0 3 363.462 -0.232 20 0 FBADHN CC(C)N(C)CC(=O)NCCN1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000673539509 484716742 /nfs/dbraw/zinc/71/67/42/484716742.db2.gz WYFCHRITPAGNLV-UHFFFAOYSA-N 0 3 355.527 -0.073 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)C(=O)Nc2ccccc2)CC1=O ZINC000673549521 484716927 /nfs/dbraw/zinc/71/69/27/484716927.db2.gz KEDKSKGUMXJFFQ-HNNXBMFYSA-N 0 3 362.430 -0.080 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)C(=O)Nc2ccccc2)CC1=O ZINC000673549522 484715901 /nfs/dbraw/zinc/71/59/01/484715901.db2.gz KEDKSKGUMXJFFQ-OAHLLOKOSA-N 0 3 362.430 -0.080 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)CSc2nncs2)CC1=O ZINC000673549774 484716020 /nfs/dbraw/zinc/71/60/20/484716020.db2.gz FKEKJJNGAOVCAP-LLVKDONJSA-N 0 3 373.504 -0.075 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)CSc2nncs2)CC1=O ZINC000673549775 484716793 /nfs/dbraw/zinc/71/67/93/484716793.db2.gz FKEKJJNGAOVCAP-NSHDSACASA-N 0 3 373.504 -0.075 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC1=O ZINC000673549983 484715800 /nfs/dbraw/zinc/71/58/00/484715800.db2.gz KFWSWICPGHIXHI-GFCCVEGCSA-N 0 3 351.407 -0.978 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CC1=O ZINC000673549984 484715821 /nfs/dbraw/zinc/71/58/21/484715821.db2.gz KFWSWICPGHIXHI-LBPRGKRZSA-N 0 3 351.407 -0.978 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1)N1CCCC1=O ZINC000673550116 484716252 /nfs/dbraw/zinc/71/62/52/484716252.db2.gz IXMPIOZICKQYIA-CABCVRRESA-N 0 3 368.478 -0.317 20 0 FBADHN CC[C@@H](C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1)N1CCCC1=O ZINC000673550117 484716508 /nfs/dbraw/zinc/71/65/08/484716508.db2.gz IXMPIOZICKQYIA-GJZGRUSLSA-N 0 3 368.478 -0.317 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1)N1CCCC1=O ZINC000673550118 484716230 /nfs/dbraw/zinc/71/62/30/484716230.db2.gz IXMPIOZICKQYIA-HUUCEWRRSA-N 0 3 368.478 -0.317 20 0 FBADHN CC[C@H](C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1)N1CCCC1=O ZINC000673550119 484718568 /nfs/dbraw/zinc/71/85/68/484718568.db2.gz IXMPIOZICKQYIA-LSDHHAIUSA-N 0 3 368.478 -0.317 20 0 FBADHN 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C[C@@H]1C[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CN1C1CC1 ZINC000674697838 484758407 /nfs/dbraw/zinc/75/84/07/484758407.db2.gz YCRJTKDDTWMOKS-KGLIPLIRSA-N 0 3 373.523 -0.512 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CN1C1CC1 ZINC000674697839 484758646 /nfs/dbraw/zinc/75/86/46/484758646.db2.gz YCRJTKDDTWMOKS-UONOGXRCSA-N 0 3 373.523 -0.512 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CN1C1CC1 ZINC000674697840 484757837 /nfs/dbraw/zinc/75/78/37/484757837.db2.gz YCRJTKDDTWMOKS-ZIAGYGMSSA-N 0 3 373.523 -0.512 20 0 FBADHN O=C(CN1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1)N1CCOCC1 ZINC000674700280 484757951 /nfs/dbraw/zinc/75/79/51/484757951.db2.gz VTFOMPLWRWZBSJ-HNNXBMFYSA-N 0 3 365.478 -0.591 20 0 FBADHN O=C(CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)N1CCOCC1 ZINC000674700282 484757908 /nfs/dbraw/zinc/75/79/08/484757908.db2.gz VTFOMPLWRWZBSJ-OAHLLOKOSA-N 0 3 365.478 -0.591 20 0 FBADHN CN1CCC[C@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000674700405 484758325 /nfs/dbraw/zinc/75/83/25/484758325.db2.gz QQADVASMHBJDKH-HNNXBMFYSA-N 0 3 353.467 -0.733 20 0 FBADHN CN1CCC[C@@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000674700406 484757847 /nfs/dbraw/zinc/75/78/47/484757847.db2.gz QQADVASMHBJDKH-OAHLLOKOSA-N 0 3 353.467 -0.733 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CN1C1CC1 ZINC000674700638 484758202 /nfs/dbraw/zinc/75/82/02/484758202.db2.gz ANMUUUBUDVTECT-GXTWGEPZSA-N 0 3 363.462 -0.256 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CN1C1CC1 ZINC000674700640 484757854 /nfs/dbraw/zinc/75/78/54/484757854.db2.gz ANMUUUBUDVTECT-JSGCOSHPSA-N 0 3 363.462 -0.256 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CN1C1CC1 ZINC000674700641 484758684 /nfs/dbraw/zinc/75/86/84/484758684.db2.gz ANMUUUBUDVTECT-OCCSQVGLSA-N 0 3 363.462 -0.256 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CN1C1CC1 ZINC000674700642 484758072 /nfs/dbraw/zinc/75/80/72/484758072.db2.gz ANMUUUBUDVTECT-TZMCWYRMSA-N 0 3 363.462 -0.256 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CN1C1CC1 ZINC000674701594 484758720 /nfs/dbraw/zinc/75/87/20/484758720.db2.gz NXKVKHREYNNYKH-CHWSQXEVSA-N 0 3 359.496 -0.255 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CN1C1CC1 ZINC000674701596 484758580 /nfs/dbraw/zinc/75/85/80/484758580.db2.gz NXKVKHREYNNYKH-OLZOCXBDSA-N 0 3 359.496 -0.255 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CN1C1CC1 ZINC000674701598 484758598 /nfs/dbraw/zinc/75/85/98/484758598.db2.gz NXKVKHREYNNYKH-QWHCGFSZSA-N 0 3 359.496 -0.255 20 0 FBADHN C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CN1C1CC1 ZINC000674701600 484757963 /nfs/dbraw/zinc/75/79/63/484757963.db2.gz NXKVKHREYNNYKH-STQMWFEESA-N 0 3 359.496 -0.255 20 0 FBADHN CN(CCN1CCCS1(=O)=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000674752685 484760564 /nfs/dbraw/zinc/76/05/64/484760564.db2.gz LMHTXTWPZMCOPI-CYBMUJFWSA-N 0 3 353.510 -0.375 20 0 FBADHN CN(CCN1CCCS1(=O)=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000674752686 484760530 /nfs/dbraw/zinc/76/05/30/484760530.db2.gz LMHTXTWPZMCOPI-ZDUSSCGKSA-N 0 3 353.510 -0.375 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccn(C)c3=O)CC2)C1 ZINC000674763423 484760983 /nfs/dbraw/zinc/76/09/83/484760983.db2.gz XCOVVUFFCXXDHL-AWEZNQCLSA-N 0 3 361.446 -0.438 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccn(C)c3=O)CC2)C1 ZINC000674763424 484760805 /nfs/dbraw/zinc/76/08/05/484760805.db2.gz XCOVVUFFCXXDHL-CQSZACIVSA-N 0 3 361.446 -0.438 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000674787740 484762465 /nfs/dbraw/zinc/76/24/65/484762465.db2.gz DHBLNOJOFSIKAR-LLVKDONJSA-N 0 3 369.451 -0.516 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000674787741 484761885 /nfs/dbraw/zinc/76/18/85/484761885.db2.gz DHBLNOJOFSIKAR-NSHDSACASA-N 0 3 369.451 -0.516 20 0 FBADHN COC1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000674809715 484763907 /nfs/dbraw/zinc/76/39/07/484763907.db2.gz CMGNPBVYOSMPHC-GFCCVEGCSA-N 0 3 373.479 -0.686 20 0 FBADHN COC1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000674809716 484763167 /nfs/dbraw/zinc/76/31/67/484763167.db2.gz CMGNPBVYOSMPHC-LBPRGKRZSA-N 0 3 373.479 -0.686 20 0 FBADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000674872760 484764842 /nfs/dbraw/zinc/76/48/42/484764842.db2.gz RVCLQNNAHHFOCU-UHFFFAOYSA-N 0 3 364.431 -0.558 20 0 FBADHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000674941867 484766129 /nfs/dbraw/zinc/76/61/29/484766129.db2.gz WPYXPJWURGRCBD-DZGCQCFKSA-N 0 3 365.478 -0.153 20 0 FBADHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000674941871 484767054 /nfs/dbraw/zinc/76/70/54/484767054.db2.gz WPYXPJWURGRCBD-HIFRSBDPSA-N 0 3 365.478 -0.153 20 0 FBADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000674941874 484766853 /nfs/dbraw/zinc/76/68/53/484766853.db2.gz WPYXPJWURGRCBD-UKRRQHHQSA-N 0 3 365.478 -0.153 20 0 FBADHN CC(C)N1C[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@@H](C)C1 ZINC000674941876 484767036 /nfs/dbraw/zinc/76/70/36/484767036.db2.gz WPYXPJWURGRCBD-ZFWWWQNUSA-N 0 3 365.478 -0.153 20 0 FBADHN CCn1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000674992279 484767584 /nfs/dbraw/zinc/76/75/84/484767584.db2.gz AHTSRAFAWPGIIH-UHFFFAOYSA-N 0 3 362.434 -0.392 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000675086830 484769060 /nfs/dbraw/zinc/76/90/60/484769060.db2.gz KOLXKHRMPFZUKP-AWEZNQCLSA-N 0 3 368.478 -0.319 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000675086831 484768905 /nfs/dbraw/zinc/76/89/05/484768905.db2.gz KOLXKHRMPFZUKP-CQSZACIVSA-N 0 3 368.478 -0.319 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N1CCN(c2ccncc2)CC1 ZINC000675089483 484769623 /nfs/dbraw/zinc/76/96/23/484769623.db2.gz CGPAINKCBUHJDI-UHFFFAOYSA-N 0 3 356.448 -0.314 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000675089946 484769095 /nfs/dbraw/zinc/76/90/95/484769095.db2.gz UYVZKNDIPLUIHP-AWEZNQCLSA-N 0 3 368.478 -0.271 20 0 FBADHN CC(C)OCCN1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000675089947 484768750 /nfs/dbraw/zinc/76/87/50/484768750.db2.gz UYVZKNDIPLUIHP-CQSZACIVSA-N 0 3 368.478 -0.271 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000675096726 484768995 /nfs/dbraw/zinc/76/89/95/484768995.db2.gz SZLHNELKDWOEBT-DZGCQCFKSA-N 0 3 373.523 -0.655 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000675096727 484769347 /nfs/dbraw/zinc/76/93/47/484769347.db2.gz SZLHNELKDWOEBT-HIFRSBDPSA-N 0 3 373.523 -0.655 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000675096728 484769593 /nfs/dbraw/zinc/76/95/93/484769593.db2.gz SZLHNELKDWOEBT-UKRRQHHQSA-N 0 3 373.523 -0.655 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000675096729 484768893 /nfs/dbraw/zinc/76/88/93/484768893.db2.gz SZLHNELKDWOEBT-ZFWWWQNUSA-N 0 3 373.523 -0.655 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000675114965 484770357 /nfs/dbraw/zinc/77/03/57/484770357.db2.gz OHSJKPDYLCKRRH-DOMZBBRYSA-N 0 3 363.462 -0.399 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000675114966 484770044 /nfs/dbraw/zinc/77/00/44/484770044.db2.gz OHSJKPDYLCKRRH-IUODEOHRSA-N 0 3 363.462 -0.399 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000675114967 484770517 /nfs/dbraw/zinc/77/05/17/484770517.db2.gz OHSJKPDYLCKRRH-SWLSCSKDSA-N 0 3 363.462 -0.399 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000675114968 484770692 /nfs/dbraw/zinc/77/06/92/484770692.db2.gz OHSJKPDYLCKRRH-WFASDCNBSA-N 0 3 363.462 -0.399 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000675115005 484770058 /nfs/dbraw/zinc/77/00/58/484770058.db2.gz QRKHCBWUPQROMY-GXTWGEPZSA-N 0 3 359.496 -0.397 20 0 FBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000675115006 484770742 /nfs/dbraw/zinc/77/07/42/484770742.db2.gz QRKHCBWUPQROMY-JSGCOSHPSA-N 0 3 359.496 -0.397 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000675115007 484770646 /nfs/dbraw/zinc/77/06/46/484770646.db2.gz QRKHCBWUPQROMY-OCCSQVGLSA-N 0 3 359.496 -0.397 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000675115008 484770115 /nfs/dbraw/zinc/77/01/15/484770115.db2.gz QRKHCBWUPQROMY-TZMCWYRMSA-N 0 3 359.496 -0.397 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000675137397 484770095 /nfs/dbraw/zinc/77/00/95/484770095.db2.gz CSGPVWQPBPWVQG-CYBMUJFWSA-N 0 3 351.469 -0.831 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(CCOC)C1 ZINC000675137402 484770858 /nfs/dbraw/zinc/77/08/58/484770858.db2.gz CSGPVWQPBPWVQG-ZDUSSCGKSA-N 0 3 351.469 -0.831 20 0 FBADHN CCOCCS(=O)(=O)NCC(=O)NCCN1CCC(OC)CC1 ZINC000675144395 484770578 /nfs/dbraw/zinc/77/05/78/484770578.db2.gz MGKKJMJPBKYFEP-UHFFFAOYSA-N 0 3 351.469 -0.831 20 0 FBADHN CCN1C(=O)[C@H]2CN(C(=O)Nc3cnn(CCN(C)C)c3)CCN2C1=O ZINC000675145579 484771802 /nfs/dbraw/zinc/77/18/02/484771802.db2.gz YKDJXJUOIBISDU-CYBMUJFWSA-N 0 3 363.422 -0.055 20 0 FBADHN CCN1C(=O)[C@@H]2CN(C(=O)Nc3cnn(CCN(C)C)c3)CCN2C1=O ZINC000675145584 484771652 /nfs/dbraw/zinc/77/16/52/484771652.db2.gz YKDJXJUOIBISDU-ZDUSSCGKSA-N 0 3 363.422 -0.055 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000675194958 484771618 /nfs/dbraw/zinc/77/16/18/484771618.db2.gz XGHQHFGRAZJZHD-INIZCTEOSA-N 0 3 369.510 -0.049 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000675194962 484771865 /nfs/dbraw/zinc/77/18/65/484771865.db2.gz XGHQHFGRAZJZHD-MRXNPFEDSA-N 0 3 369.510 -0.049 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000675199582 484771524 /nfs/dbraw/zinc/77/15/24/484771524.db2.gz KZUXXKCBJQNPFE-AWEZNQCLSA-N 0 3 361.512 -0.006 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000675199583 484772101 /nfs/dbraw/zinc/77/21/01/484772101.db2.gz KZUXXKCBJQNPFE-CQSZACIVSA-N 0 3 361.512 -0.006 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000675199927 484771837 /nfs/dbraw/zinc/77/18/37/484771837.db2.gz OIRWWGLWGQTZII-AWEZNQCLSA-N 0 3 364.454 -0.599 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000675199928 484771959 /nfs/dbraw/zinc/77/19/59/484771959.db2.gz OIRWWGLWGQTZII-CQSZACIVSA-N 0 3 364.454 -0.599 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000675200693 484771922 /nfs/dbraw/zinc/77/19/22/484771922.db2.gz VUGLZVGLGHITEY-AWEZNQCLSA-N 0 3 365.478 -0.007 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000675200694 484771911 /nfs/dbraw/zinc/77/19/11/484771911.db2.gz VUGLZVGLGHITEY-CQSZACIVSA-N 0 3 365.478 -0.007 20 0 FBADHN CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000675278552 484773417 /nfs/dbraw/zinc/77/34/17/484773417.db2.gz LDJALBAQAUOOIX-UHFFFAOYSA-N 0 3 367.475 -0.693 20 0 FBADHN CN(C)CCn1cc(NC(=O)N(CCO)CCN2CCOCC2)cn1 ZINC000675370457 484775772 /nfs/dbraw/zinc/77/57/72/484775772.db2.gz 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/nfs/dbraw/zinc/78/09/18/484780918.db2.gz SWSZZMKJHJZOOG-LLVKDONJSA-N 0 3 361.402 -0.272 20 0 FBADHN COc1ncc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1C(N)=O ZINC000675593702 484780699 /nfs/dbraw/zinc/78/06/99/484780699.db2.gz SWSZZMKJHJZOOG-NSHDSACASA-N 0 3 361.402 -0.272 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 ZINC000675916629 484787603 /nfs/dbraw/zinc/78/76/03/484787603.db2.gz LFWMJFKJILJWGZ-CYBMUJFWSA-N 0 3 374.507 -0.531 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 ZINC000675916639 484787318 /nfs/dbraw/zinc/78/73/18/484787318.db2.gz LFWMJFKJILJWGZ-ZDUSSCGKSA-N 0 3 374.507 -0.531 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000675916753 484787220 /nfs/dbraw/zinc/78/72/20/484787220.db2.gz MUVKDWMOBHHIIF-CYBMUJFWSA-N 0 3 365.434 -0.917 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000675916766 484787545 /nfs/dbraw/zinc/78/75/45/484787545.db2.gz MUVKDWMOBHHIIF-ZDUSSCGKSA-N 0 3 365.434 -0.917 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000675917328 484787581 /nfs/dbraw/zinc/78/75/81/484787581.db2.gz DNDLZDLFAMRWFB-KBPBESRZSA-N 0 3 372.491 -0.825 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000675917335 484787066 /nfs/dbraw/zinc/78/70/66/484787066.db2.gz DNDLZDLFAMRWFB-KGLIPLIRSA-N 0 3 372.491 -0.825 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000675917338 484786981 /nfs/dbraw/zinc/78/69/81/484786981.db2.gz DNDLZDLFAMRWFB-UONOGXRCSA-N 0 3 372.491 -0.825 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000675917339 484787669 /nfs/dbraw/zinc/78/76/69/484787669.db2.gz DNDLZDLFAMRWFB-ZIAGYGMSSA-N 0 3 372.491 -0.825 20 0 FBADHN CCc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)no1 ZINC000675937686 484787097 /nfs/dbraw/zinc/78/70/97/484787097.db2.gz YVFREYGVKPCPAM-CYBMUJFWSA-N 0 3 363.418 -0.060 20 0 FBADHN CCc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)no1 ZINC000675937687 484786917 /nfs/dbraw/zinc/78/69/17/484786917.db2.gz YVFREYGVKPCPAM-ZDUSSCGKSA-N 0 3 363.418 -0.060 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000675982741 484788658 /nfs/dbraw/zinc/78/86/58/484788658.db2.gz JYPFWCIPHPWKEI-CVEARBPZSA-N 0 3 368.478 -0.013 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000675982742 484788982 /nfs/dbraw/zinc/78/89/82/484788982.db2.gz JYPFWCIPHPWKEI-HOTGVXAUSA-N 0 3 368.478 -0.013 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000675982743 484788529 /nfs/dbraw/zinc/78/85/29/484788529.db2.gz JYPFWCIPHPWKEI-HZPDHXFCSA-N 0 3 368.478 -0.013 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000675982744 484788702 /nfs/dbraw/zinc/78/87/02/484788702.db2.gz JYPFWCIPHPWKEI-JKSUJKDBSA-N 0 3 368.478 -0.013 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000675994328 484788796 /nfs/dbraw/zinc/78/87/96/484788796.db2.gz ARQUIOAKKQNHFY-CYBMUJFWSA-N 0 3 359.434 -0.193 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000675994329 484788028 /nfs/dbraw/zinc/78/80/28/484788028.db2.gz ARQUIOAKKQNHFY-ZDUSSCGKSA-N 0 3 359.434 -0.193 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000675997652 484788683 /nfs/dbraw/zinc/78/86/83/484788683.db2.gz NPWXSSVJNMYJDW-CYBMUJFWSA-N 0 3 362.438 -0.544 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nnnn2C2CC2)CC1 ZINC000675997662 484788040 /nfs/dbraw/zinc/78/80/40/484788040.db2.gz NPWXSSVJNMYJDW-ZDUSSCGKSA-N 0 3 362.438 -0.544 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 ZINC000675999665 484789119 /nfs/dbraw/zinc/78/91/19/484789119.db2.gz CUQZPCZJFMGIKG-CYBMUJFWSA-N 0 3 374.507 -0.242 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 ZINC000675999666 484788434 /nfs/dbraw/zinc/78/84/34/484788434.db2.gz CUQZPCZJFMGIKG-ZDUSSCGKSA-N 0 3 374.507 -0.242 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3CCCS3(=O)=O)CC2)C1 ZINC000676021920 484790062 /nfs/dbraw/zinc/79/00/62/484790062.db2.gz NETJILMRCITRSY-CABCVRRESA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CCCS3(=O)=O)CC2)C1 ZINC000676021921 484790001 /nfs/dbraw/zinc/79/00/01/484790001.db2.gz NETJILMRCITRSY-GJZGRUSLSA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)C1 ZINC000676021922 484790178 /nfs/dbraw/zinc/79/01/78/484790178.db2.gz NETJILMRCITRSY-HUUCEWRRSA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)C1 ZINC000676021924 484790028 /nfs/dbraw/zinc/79/00/28/484790028.db2.gz NETJILMRCITRSY-LSDHHAIUSA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccncc2)CC1 ZINC000676055641 484789524 /nfs/dbraw/zinc/78/95/24/484789524.db2.gz SJAKRKSIAIFFBV-HNNXBMFYSA-N 0 3 359.430 -0.424 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccncc2)CC1 ZINC000676055642 484789543 /nfs/dbraw/zinc/78/95/43/484789543.db2.gz SJAKRKSIAIFFBV-OAHLLOKOSA-N 0 3 359.430 -0.424 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000676089694 484790111 /nfs/dbraw/zinc/79/01/11/484790111.db2.gz IXMUOUCZJKGPHS-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cn1 ZINC000676089737 484789718 /nfs/dbraw/zinc/78/97/18/484789718.db2.gz LIKNPUBGTLEWQL-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCC(=O)N2CCCCC2)cn1 ZINC000676089804 484789472 /nfs/dbraw/zinc/78/94/72/484789472.db2.gz NLQAUBJEEWUKRC-UHFFFAOYSA-N 0 3 350.423 -0.488 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cn1 ZINC000676090188 484789899 /nfs/dbraw/zinc/78/98/99/484789899.db2.gz MTIZGAAOHQREMB-CYBMUJFWSA-N 0 3 363.418 -0.056 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)cn1 ZINC000676090189 484789888 /nfs/dbraw/zinc/78/98/88/484789888.db2.gz MTIZGAAOHQREMB-ZDUSSCGKSA-N 0 3 363.418 -0.056 20 0 FBADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676090321 484790595 /nfs/dbraw/zinc/79/05/95/484790595.db2.gz 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484791447 /nfs/dbraw/zinc/79/14/47/484791447.db2.gz RZVSNERCXRGJHB-UHFFFAOYSA-N 0 3 362.434 -0.536 20 0 FBADHN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676091262 484790993 /nfs/dbraw/zinc/79/09/93/484790993.db2.gz HDZLZJHHTSMKPR-GFCCVEGCSA-N 0 3 352.439 -0.196 20 0 FBADHN CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676091263 484790910 /nfs/dbraw/zinc/79/09/10/484790910.db2.gz HDZLZJHHTSMKPR-LBPRGKRZSA-N 0 3 352.439 -0.196 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000676091285 484790941 /nfs/dbraw/zinc/79/09/41/484790941.db2.gz IARKULXKFVYPAB-UHFFFAOYSA-N 0 3 372.433 -0.478 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCCC(=O)N2CCCCC2)cn1 ZINC000676091558 484790742 /nfs/dbraw/zinc/79/07/42/484790742.db2.gz OQTHAQJXIZKTAI-UHFFFAOYSA-N 0 3 364.450 -0.098 20 0 FBADHN C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000676091616 484790756 /nfs/dbraw/zinc/79/07/56/484790756.db2.gz QHXOQFGXRHRXNA-GFCCVEGCSA-N 0 3 364.450 -0.244 20 0 FBADHN C[C@@H](C1CC1)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000676091617 484791253 /nfs/dbraw/zinc/79/12/53/484791253.db2.gz QHXOQFGXRHRXNA-LBPRGKRZSA-N 0 3 364.450 -0.244 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)cn1 ZINC000676091770 484791502 /nfs/dbraw/zinc/79/15/02/484791502.db2.gz SVYKAJUNDFOOJB-UHFFFAOYSA-N 0 3 365.438 -0.791 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CC1 ZINC000676092637 484791556 /nfs/dbraw/zinc/79/15/56/484791556.db2.gz NNONAZBZXPFPEZ-GFCCVEGCSA-N 0 3 364.450 -0.338 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CC1 ZINC000676092642 484791724 /nfs/dbraw/zinc/79/17/24/484791724.db2.gz NNONAZBZXPFPEZ-LBPRGKRZSA-N 0 3 364.450 -0.338 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C(=O)Nc2cnn(CCN(C)C)c2)CCO1 ZINC000676093076 484791636 /nfs/dbraw/zinc/79/16/36/484791636.db2.gz DSOLMHXRJZQTHL-CYBMUJFWSA-N 0 3 352.439 -0.780 20 0 FBADHN C[C@H]1CN(CCNC(=O)C(=O)Nc2cnn(CCN(C)C)c2)CCO1 ZINC000676093077 484790806 /nfs/dbraw/zinc/79/08/06/484790806.db2.gz DSOLMHXRJZQTHL-ZDUSSCGKSA-N 0 3 352.439 -0.780 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cn1 ZINC000676093255 484791190 /nfs/dbraw/zinc/79/11/90/484791190.db2.gz IIKXAPMQMDIHTK-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN CCC(=O)N1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000676093406 484791006 /nfs/dbraw/zinc/79/10/06/484791006.db2.gz SJDAKEYNLBRZHU-UHFFFAOYSA-N 0 3 364.450 -0.146 20 0 FBADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000676093422 484790966 /nfs/dbraw/zinc/79/09/66/484790966.db2.gz JIVVRIAAQWOPDU-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000676093425 484791540 /nfs/dbraw/zinc/79/15/40/484791540.db2.gz JIVVRIAAQWOPDU-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cn1 ZINC000676093514 484791773 /nfs/dbraw/zinc/79/17/73/484791773.db2.gz MAVDGRONRAPVNJ-UHFFFAOYSA-N 0 3 352.439 -0.196 20 0 FBADHN 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C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676094741 484790686 /nfs/dbraw/zinc/79/06/86/484790686.db2.gz PDEQKWBODIGEKR-CYBMUJFWSA-N 0 3 352.439 -0.780 20 0 FBADHN C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676094742 484792004 /nfs/dbraw/zinc/79/20/04/484792004.db2.gz PDEQKWBODIGEKR-ZDUSSCGKSA-N 0 3 352.439 -0.780 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCCN2CCOCC2(C)C)cn1 ZINC000676094749 484790835 /nfs/dbraw/zinc/79/08/35/484790835.db2.gz PHRWSYNAEJSCON-UHFFFAOYSA-N 0 3 366.466 -0.390 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@H](C)N1CCOCC1 ZINC000676094777 484791669 /nfs/dbraw/zinc/79/16/69/484791669.db2.gz QPGANYQWSSDRJC-KBPBESRZSA-N 0 3 366.466 -0.391 20 0 FBADHN C[C@@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@H](C)N1CCOCC1 ZINC000676094778 484791108 /nfs/dbraw/zinc/79/11/08/484791108.db2.gz QPGANYQWSSDRJC-KGLIPLIRSA-N 0 3 366.466 -0.391 20 0 FBADHN C[C@H]([C@H](C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)N1CCOCC1 ZINC000676094779 484792129 /nfs/dbraw/zinc/79/21/29/484792129.db2.gz 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FBADHN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000676096016 484791149 /nfs/dbraw/zinc/79/11/49/484791149.db2.gz NZIQUPYFRJGRLY-CYBMUJFWSA-N 0 3 352.439 -0.780 20 0 FBADHN COCCN1CC[C@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000676096017 484792158 /nfs/dbraw/zinc/79/21/58/484792158.db2.gz NZIQUPYFRJGRLY-ZDUSSCGKSA-N 0 3 352.439 -0.780 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)cn1 ZINC000676096666 484792175 /nfs/dbraw/zinc/79/21/75/484792175.db2.gz DZWLYLIJSXDHMN-GFCCVEGCSA-N 0 3 350.423 -0.503 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)cn1 ZINC000676096667 484792103 /nfs/dbraw/zinc/79/21/03/484792103.db2.gz DZWLYLIJSXDHMN-LBPRGKRZSA-N 0 3 350.423 -0.503 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)cn1 ZINC000676096799 484791278 /nfs/dbraw/zinc/79/12/78/484791278.db2.gz QHSWXUIJVKEQIH-UHFFFAOYSA-N 0 3 350.423 -0.455 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)cn1 ZINC000676096841 484791291 /nfs/dbraw/zinc/79/12/91/484791291.db2.gz 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484791223 /nfs/dbraw/zinc/79/12/23/484791223.db2.gz FFIRMQIMKRKFFS-LLVKDONJSA-N 0 3 352.439 -0.197 20 0 FBADHN C[C@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)C(=O)NC(C)(C)C ZINC000676098228 484791230 /nfs/dbraw/zinc/79/12/30/484791230.db2.gz FFIRMQIMKRKFFS-NSHDSACASA-N 0 3 352.439 -0.197 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000676098240 484791917 /nfs/dbraw/zinc/79/19/17/484791917.db2.gz FODQNZSLMGQGSN-UHFFFAOYSA-N 0 3 366.466 -0.436 20 0 FBADHN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000676098368 484791170 /nfs/dbraw/zinc/79/11/70/484791170.db2.gz KBKBYVCTFFGKCY-HNNXBMFYSA-N 0 3 366.466 -0.702 20 0 FBADHN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000676098369 484790776 /nfs/dbraw/zinc/79/07/76/484790776.db2.gz KBKBYVCTFFGKCY-OAHLLOKOSA-N 0 3 366.466 -0.702 20 0 FBADHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1=O ZINC000676098633 484791268 /nfs/dbraw/zinc/79/12/68/484791268.db2.gz SVNYTMIEEVGTIR-GFCCVEGCSA-N 0 3 350.423 -0.491 20 0 FBADHN CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1=O ZINC000676098634 484791484 /nfs/dbraw/zinc/79/14/84/484791484.db2.gz SVNYTMIEEVGTIR-LBPRGKRZSA-N 0 3 350.423 -0.491 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCCCNC(=O)C2CCC2)cn1 ZINC000676098778 484790701 /nfs/dbraw/zinc/79/07/01/484790701.db2.gz VXVOHLRCNWUYTE-UHFFFAOYSA-N 0 3 364.450 -0.194 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cn1 ZINC000676098856 484790982 /nfs/dbraw/zinc/79/09/82/484790982.db2.gz FDHWZFLRHQCNEN-GFCCVEGCSA-N 0 3 364.450 -0.101 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cn1 ZINC000676098857 484792990 /nfs/dbraw/zinc/79/29/90/484792990.db2.gz FDHWZFLRHQCNEN-LBPRGKRZSA-N 0 3 364.450 -0.101 20 0 FBADHN COCCN1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000676098991 484792588 /nfs/dbraw/zinc/79/25/88/484792588.db2.gz YZVCCNDEHOZLKL-UHFFFAOYSA-N 0 3 352.439 -0.826 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)cn1 ZINC000676099008 484793414 /nfs/dbraw/zinc/79/34/14/484793414.db2.gz 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CN(C)CCn1cc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cn1 ZINC000676099949 484792862 /nfs/dbraw/zinc/79/28/62/484792862.db2.gz YFMTWMHKJLQJII-CABCVRRESA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cn1 ZINC000676099950 484792705 /nfs/dbraw/zinc/79/27/05/484792705.db2.gz YFMTWMHKJLQJII-GJZGRUSLSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cn1 ZINC000676099951 484793376 /nfs/dbraw/zinc/79/33/76/484793376.db2.gz YFMTWMHKJLQJII-HUUCEWRRSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cn1 ZINC000676099952 484793210 /nfs/dbraw/zinc/79/32/10/484793210.db2.gz YFMTWMHKJLQJII-LSDHHAIUSA-N 0 3 365.434 -0.210 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cn1 ZINC000676100197 484792545 /nfs/dbraw/zinc/79/25/45/484792545.db2.gz OLUONZLWRYRUTG-AWEZNQCLSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cn1 ZINC000676100198 484792752 /nfs/dbraw/zinc/79/27/52/484792752.db2.gz OLUONZLWRYRUTG-CQSZACIVSA-N 0 3 362.434 -0.347 20 0 FBADHN CCN1CCCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000676221920 484795279 /nfs/dbraw/zinc/79/52/79/484795279.db2.gz FKGCKEFOQCOWIE-UHFFFAOYSA-N 0 3 361.512 -0.699 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CN(C)CCO1 ZINC000676244704 484797584 /nfs/dbraw/zinc/79/75/84/484797584.db2.gz DMEYZPUYSGCFGC-ARFHVFGLSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CN(C)CCO1 ZINC000676244707 484796989 /nfs/dbraw/zinc/79/69/89/484796989.db2.gz DMEYZPUYSGCFGC-HRCADAONSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CN(C)CCO1 ZINC000676244709 484797759 /nfs/dbraw/zinc/79/77/59/484797759.db2.gz DMEYZPUYSGCFGC-JYJNAYRXSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CN(C)CCO1 ZINC000676244711 484797736 /nfs/dbraw/zinc/79/77/36/484797736.db2.gz DMEYZPUYSGCFGC-XHSDSOJGSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CN(C)CCO1 ZINC000676245115 484796918 /nfs/dbraw/zinc/79/69/18/484796918.db2.gz HXUUJPYUGSAYHS-BBWFWOEESA-N 0 3 369.510 -0.589 20 0 FBADHN C[C@H](NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CN(C)CCO1 ZINC000676245119 484797219 /nfs/dbraw/zinc/79/72/19/484797219.db2.gz HXUUJPYUGSAYHS-GVDBMIGSSA-N 0 3 369.510 -0.589 20 0 FBADHN C[C@H](NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CN(C)CCO1 ZINC000676245121 484797900 /nfs/dbraw/zinc/79/79/00/484797900.db2.gz HXUUJPYUGSAYHS-ULQDDVLXSA-N 0 3 369.510 -0.589 20 0 FBADHN C[C@H](NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CN(C)CCO1 ZINC000676245123 484797651 /nfs/dbraw/zinc/79/76/51/484797651.db2.gz HXUUJPYUGSAYHS-YESZJQIVSA-N 0 3 369.510 -0.589 20 0 FBADHN C[C@@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000676245844 484796668 /nfs/dbraw/zinc/79/66/68/484796668.db2.gz OTMHKVWPLMAINW-GDBMZVCRSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000676245847 484797013 /nfs/dbraw/zinc/79/70/13/484797013.db2.gz OTMHKVWPLMAINW-GOEBONIOSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000676245850 484797488 /nfs/dbraw/zinc/79/74/88/484797488.db2.gz OTMHKVWPLMAINW-HOCLYGCPSA-N 0 3 369.510 -0.053 20 0 FBADHN C[C@@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000676245853 484796789 /nfs/dbraw/zinc/79/67/89/484796789.db2.gz OTMHKVWPLMAINW-ZBFHGGJFSA-N 0 3 369.510 -0.053 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N1CCN(c2ccncc2)CC1 ZINC000676248346 484798601 /nfs/dbraw/zinc/79/86/01/484798601.db2.gz CQPUWJWDLBZKFE-UHFFFAOYSA-N 0 3 356.448 -0.314 20 0 FBADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000676249932 484799683 /nfs/dbraw/zinc/79/96/83/484799683.db2.gz JIOVAIBPQJRTNT-CVEARBPZSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000676249933 484800007 /nfs/dbraw/zinc/80/00/07/484800007.db2.gz JIOVAIBPQJRTNT-HOTGVXAUSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CN(C)CCO1 ZINC000676249934 484799930 /nfs/dbraw/zinc/79/99/30/484799930.db2.gz JIOVAIBPQJRTNT-HZPDHXFCSA-N 0 3 367.494 -0.345 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CN(C)CCO1 ZINC000676249935 484798949 /nfs/dbraw/zinc/79/89/49/484798949.db2.gz JIOVAIBPQJRTNT-JKSUJKDBSA-N 0 3 367.494 -0.345 20 0 FBADHN CN(C)CCn1cc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)cn1 ZINC000676264006 484800489 /nfs/dbraw/zinc/80/04/89/484800489.db2.gz PXJHNCGMQURPGJ-UHFFFAOYSA-N 0 3 351.455 -0.318 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000676275679 484800550 /nfs/dbraw/zinc/80/05/50/484800550.db2.gz RESPFOXEEWTURA-CYBMUJFWSA-N 0 3 351.469 -0.831 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(CCOC)C1 ZINC000676275680 484801014 /nfs/dbraw/zinc/80/10/14/484801014.db2.gz RESPFOXEEWTURA-ZDUSSCGKSA-N 0 3 351.469 -0.831 20 0 FBADHN COCCCS(=O)(=O)NCC(=O)NCCN1CCC(OC)CC1 ZINC000676277474 484801124 /nfs/dbraw/zinc/80/11/24/484801124.db2.gz REVQEVDVVFWVFY-UHFFFAOYSA-N 0 3 351.469 -0.831 20 0 FBADHN CN(C)CCN1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676288995 484802482 /nfs/dbraw/zinc/80/24/82/484802482.db2.gz IDGRMKTVXJFOHX-UHFFFAOYSA-N 0 3 368.526 -0.572 20 0 FBADHN COCCN1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676291695 484802712 /nfs/dbraw/zinc/80/27/12/484802712.db2.gz AGBQUDFERUZLHX-UHFFFAOYSA-N 0 3 355.483 -0.487 20 0 FBADHN COCCCN1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676292789 484803438 /nfs/dbraw/zinc/80/34/38/484803438.db2.gz QOKKZAOKAFYLGS-UHFFFAOYSA-N 0 3 369.510 -0.097 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000676294914 484804142 /nfs/dbraw/zinc/80/41/42/484804142.db2.gz DUKBVFAPWGPCPH-UHFFFAOYSA-N 0 3 368.526 -0.571 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676295202 484805196 /nfs/dbraw/zinc/80/51/96/484805196.db2.gz PFRVCFNRRBYRIN-HNNXBMFYSA-N 0 3 355.483 -0.487 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676295204 484804861 /nfs/dbraw/zinc/80/48/61/484804861.db2.gz PFRVCFNRRBYRIN-OAHLLOKOSA-N 0 3 355.483 -0.487 20 0 FBADHN C[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)CN1CCN(C)CC1 ZINC000676296316 484805429 /nfs/dbraw/zinc/80/54/29/484805429.db2.gz NRXSXOQIKHTOHN-INIZCTEOSA-N 0 3 368.526 -0.715 20 0 FBADHN C[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)CN1CCN(C)CC1 ZINC000676296317 484804636 /nfs/dbraw/zinc/80/46/36/484804636.db2.gz NRXSXOQIKHTOHN-MRXNPFEDSA-N 0 3 368.526 -0.715 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000676296675 484804304 /nfs/dbraw/zinc/80/43/04/484804304.db2.gz FODYECOSFVCICP-INIZCTEOSA-N 0 3 357.524 -0.161 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000676296678 484804212 /nfs/dbraw/zinc/80/42/12/484804212.db2.gz FODYECOSFVCICP-MRXNPFEDSA-N 0 3 357.524 -0.161 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CN(C)CCO1 ZINC000676305993 484804834 /nfs/dbraw/zinc/80/48/34/484804834.db2.gz PXLKAIPNJBMPID-ARFHVFGLSA-N 0 3 367.494 -0.347 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CN(C)CCO1 ZINC000676305994 484805873 /nfs/dbraw/zinc/80/58/73/484805873.db2.gz PXLKAIPNJBMPID-HRCADAONSA-N 0 3 367.494 -0.347 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CN(C)CCO1 ZINC000676305995 484807123 /nfs/dbraw/zinc/80/71/23/484807123.db2.gz PXLKAIPNJBMPID-JYJNAYRXSA-N 0 3 367.494 -0.347 20 0 FBADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CN(C)CCO1 ZINC000676305996 484806686 /nfs/dbraw/zinc/80/66/86/484806686.db2.gz PXLKAIPNJBMPID-XHSDSOJGSA-N 0 3 367.494 -0.347 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676306417 484806208 /nfs/dbraw/zinc/80/62/08/484806208.db2.gz UMKNHLSZNSPOCS-CVEARBPZSA-N 0 3 369.510 -0.099 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676306418 484806296 /nfs/dbraw/zinc/80/62/96/484806296.db2.gz UMKNHLSZNSPOCS-HOTGVXAUSA-N 0 3 369.510 -0.099 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676306419 484806189 /nfs/dbraw/zinc/80/61/89/484806189.db2.gz UMKNHLSZNSPOCS-HZPDHXFCSA-N 0 3 369.510 -0.099 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676306420 484806314 /nfs/dbraw/zinc/80/63/14/484806314.db2.gz UMKNHLSZNSPOCS-JKSUJKDBSA-N 0 3 369.510 -0.099 20 0 FBADHN CCC[C@H]1CN(CCN2CCNC2=O)CCN1CCN1CCNC1=O ZINC000676329031 484806938 /nfs/dbraw/zinc/80/69/38/484806938.db2.gz ROBJHQFFJSPCPD-HNNXBMFYSA-N 0 3 352.483 -0.177 20 0 FBADHN CCC[C@@H]1CN(CCN2CCNC2=O)CCN1CCN1CCNC1=O ZINC000676329034 484806905 /nfs/dbraw/zinc/80/69/05/484806905.db2.gz ROBJHQFFJSPCPD-OAHLLOKOSA-N 0 3 352.483 -0.177 20 0 FBADHN CCN1CCN(CC(=O)NC2CCN([C@H]3CCOC3)CC2)C(=O)C1=O ZINC000676341346 484806406 /nfs/dbraw/zinc/80/64/06/484806406.db2.gz PGCXMYHBKPECGL-AWEZNQCLSA-N 0 3 352.435 -0.953 20 0 FBADHN CCN1CCN(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)C(=O)C1=O ZINC000676341348 484806490 /nfs/dbraw/zinc/80/64/90/484806490.db2.gz PGCXMYHBKPECGL-CQSZACIVSA-N 0 3 352.435 -0.953 20 0 FBADHN C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)N(C)C)[C@H](C(=O)N(C)C)C1)N(C)C ZINC000676390058 484808373 /nfs/dbraw/zinc/80/83/73/484808373.db2.gz UBXBMUZGXSLTNT-IHRRRGAJSA-N 0 3 355.483 -0.986 20 0 FBADHN C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)N(C)C)[C@@H](C(=O)N(C)C)C1)N(C)C ZINC000676390059 484807999 /nfs/dbraw/zinc/80/79/99/484807999.db2.gz UBXBMUZGXSLTNT-MELADBBJSA-N 0 3 355.483 -0.986 20 0 FBADHN Cc1c(C(=O)NCCn2ncnn2)nnn1-c1cccc2c1CCN(C)C2 ZINC000676391441 484807902 /nfs/dbraw/zinc/80/79/02/484807902.db2.gz PBKAADYKPLWDRE-UHFFFAOYSA-N 0 3 367.417 -0.020 20 0 FBADHN CN(CC(=O)N1CCN(C(=O)CN(C)C(C)(C)CO)CC1)C(C)(C)CO ZINC000676485799 484814671 /nfs/dbraw/zinc/81/46/71/484814671.db2.gz KYSFPJPLLIWJJT-UHFFFAOYSA-N 0 3 372.510 -0.937 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)cn1 ZINC000676545997 484815486 /nfs/dbraw/zinc/81/54/86/484815486.db2.gz AQLDIJNIXWFXBF-UHFFFAOYSA-N 0 3 371.401 -0.689 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)n1 ZINC000676547153 484815546 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CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)CN1CCCC1=O ZINC000677709087 484843068 /nfs/dbraw/zinc/84/30/68/484843068.db2.gz BWDILEXXTLDSPI-CYBMUJFWSA-N 0 3 371.459 -0.372 20 0 FBADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)CN1CCCC1=O ZINC000677709088 484843242 /nfs/dbraw/zinc/84/32/42/484843242.db2.gz BWDILEXXTLDSPI-ZDUSSCGKSA-N 0 3 371.459 -0.372 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(CCOC3)CC2)CC1 ZINC000677718579 484842706 /nfs/dbraw/zinc/84/27/06/484842706.db2.gz FHMRSWVQSFPPDS-UHFFFAOYSA-N 0 3 352.479 -0.279 20 0 FBADHN CN1C(=O)NC2(CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)C1=O ZINC000677728611 484843209 /nfs/dbraw/zinc/84/32/09/484843209.db2.gz KLZMGRKESPIMKQ-UHFFFAOYSA-N 0 3 351.407 -0.277 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000677740421 484843888 /nfs/dbraw/zinc/84/38/88/484843888.db2.gz HQNJTEGHWKRTHE-AWEZNQCLSA-N 0 3 374.507 -0.353 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000677740422 484844438 /nfs/dbraw/zinc/84/44/38/484844438.db2.gz HQNJTEGHWKRTHE-CQSZACIVSA-N 0 3 374.507 -0.353 20 0 FBADHN CN(C)CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000677804683 484843752 /nfs/dbraw/zinc/84/37/52/484843752.db2.gz MAKIBLRKWAAIKH-UHFFFAOYSA-N 0 3 358.468 -0.566 20 0 FBADHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1cccc(S(N)(=O)=O)c1 ZINC000677844719 484845740 /nfs/dbraw/zinc/84/57/40/484845740.db2.gz ILCMAXLAEGRCLJ-DOMZBBRYSA-N 0 3 352.460 -0.099 20 0 FBADHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccc(S(N)(=O)=O)c1 ZINC000677844721 484846041 /nfs/dbraw/zinc/84/60/41/484846041.db2.gz ILCMAXLAEGRCLJ-IUODEOHRSA-N 0 3 352.460 -0.099 20 0 FBADHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccc(S(N)(=O)=O)c1 ZINC000677844723 484845239 /nfs/dbraw/zinc/84/52/39/484845239.db2.gz ILCMAXLAEGRCLJ-SWLSCSKDSA-N 0 3 352.460 -0.099 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1cccc(S(N)(=O)=O)c1 ZINC000677844725 484846003 /nfs/dbraw/zinc/84/60/03/484846003.db2.gz ILCMAXLAEGRCLJ-WFASDCNBSA-N 0 3 352.460 -0.099 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000677845367 484845756 /nfs/dbraw/zinc/84/57/56/484845756.db2.gz CQUQUCBYQCUMJK-INIZCTEOSA-N 0 3 366.487 -0.221 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000677845368 484845562 /nfs/dbraw/zinc/84/55/62/484845562.db2.gz CQUQUCBYQCUMJK-MRXNPFEDSA-N 0 3 366.487 -0.221 20 0 FBADHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000677846121 662372316 /nfs/dbraw/zinc/37/23/16/662372316.db2.gz KTGJXFZOPHDIAT-DOMZBBRYSA-N 0 3 352.460 -0.099 20 0 FBADHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000677846122 484845865 /nfs/dbraw/zinc/84/58/65/484845865.db2.gz KTGJXFZOPHDIAT-IUODEOHRSA-N 0 3 352.460 -0.099 20 0 FBADHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000677846123 662372176 /nfs/dbraw/zinc/37/21/76/662372176.db2.gz KTGJXFZOPHDIAT-SWLSCSKDSA-N 0 3 352.460 -0.099 20 0 FBADHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000677846124 484846030 /nfs/dbraw/zinc/84/60/30/484846030.db2.gz KTGJXFZOPHDIAT-WFASDCNBSA-N 0 3 352.460 -0.099 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000677846212 484845680 /nfs/dbraw/zinc/84/56/80/484845680.db2.gz UZRGFHGFWTXYHH-KRWDZBQOSA-N 0 3 365.522 -0.221 20 0 FBADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000677846213 484845812 /nfs/dbraw/zinc/84/58/12/484845812.db2.gz UZRGFHGFWTXYHH-QGZVFWFLSA-N 0 3 365.522 -0.221 20 0 FBADHN CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000677850517 484845540 /nfs/dbraw/zinc/84/55/40/484845540.db2.gz VRXNUHOHAFMOBW-INIZCTEOSA-N 0 3 366.487 -0.258 20 0 FBADHN CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000677850518 484845483 /nfs/dbraw/zinc/84/54/83/484845483.db2.gz VRXNUHOHAFMOBW-MRXNPFEDSA-N 0 3 366.487 -0.258 20 0 FBADHN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CN2CCN1CCC2 ZINC000677852851 484845948 /nfs/dbraw/zinc/84/59/48/484845948.db2.gz WQURSKGKKXDQQO-AWEZNQCLSA-N 0 3 363.462 -0.253 20 0 FBADHN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CN2CCN1CCC2 ZINC000677852852 484845914 /nfs/dbraw/zinc/84/59/14/484845914.db2.gz WQURSKGKKXDQQO-CQSZACIVSA-N 0 3 363.462 -0.253 20 0 FBADHN CS(=O)(=O)NC1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCCCC1 ZINC000677853424 484845402 /nfs/dbraw/zinc/84/54/02/484845402.db2.gz DGPHJDIEFKMGIU-AWEZNQCLSA-N 0 3 358.508 -0.255 20 0 FBADHN CS(=O)(=O)NC1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCCC1 ZINC000677853425 484845612 /nfs/dbraw/zinc/84/56/12/484845612.db2.gz DGPHJDIEFKMGIU-CQSZACIVSA-N 0 3 358.508 -0.255 20 0 FBADHN CN1CCN(c2ncccc2CNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000677872600 484847472 /nfs/dbraw/zinc/84/74/72/484847472.db2.gz QCPSMIYCKFNDHR-KRWDZBQOSA-N 0 3 358.490 -0.161 20 0 FBADHN CN1CCN(c2ncccc2CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000677872601 484846750 /nfs/dbraw/zinc/84/67/50/484846750.db2.gz QCPSMIYCKFNDHR-QGZVFWFLSA-N 0 3 358.490 -0.161 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000677876132 484847025 /nfs/dbraw/zinc/84/70/25/484847025.db2.gz XNBXMBCSSKDDEG-BZUAXINKSA-N 0 3 372.535 -0.105 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000677876133 484847383 /nfs/dbraw/zinc/84/73/83/484847383.db2.gz XNBXMBCSSKDDEG-OAGGEKHMSA-N 0 3 372.535 -0.105 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000677876134 484847407 /nfs/dbraw/zinc/84/74/07/484847407.db2.gz XNBXMBCSSKDDEG-OWCLPIDISA-N 0 3 372.535 -0.105 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000677876135 484846827 /nfs/dbraw/zinc/84/68/27/484846827.db2.gz XNBXMBCSSKDDEG-PMPSAXMXSA-N 0 3 372.535 -0.105 20 0 FBADHN NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000677877975 484846471 /nfs/dbraw/zinc/84/64/71/484846471.db2.gz NVPXUDLSJHKGRU-HNNXBMFYSA-N 0 3 352.460 -0.519 20 0 FBADHN NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000677877977 484846693 /nfs/dbraw/zinc/84/66/93/484846693.db2.gz NVPXUDLSJHKGRU-OAHLLOKOSA-N 0 3 352.460 -0.519 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000677879412 484847756 /nfs/dbraw/zinc/84/77/56/484847756.db2.gz QVZLMCJVZXEFKT-CVEARBPZSA-N 0 3 351.495 -0.565 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000677879413 484846775 /nfs/dbraw/zinc/84/67/75/484846775.db2.gz QVZLMCJVZXEFKT-HOTGVXAUSA-N 0 3 351.495 -0.565 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000677879414 484847048 /nfs/dbraw/zinc/84/70/48/484847048.db2.gz QVZLMCJVZXEFKT-HZPDHXFCSA-N 0 3 351.495 -0.565 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000677879415 484846945 /nfs/dbraw/zinc/84/69/45/484846945.db2.gz QVZLMCJVZXEFKT-JKSUJKDBSA-N 0 3 351.495 -0.565 20 0 FBADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677888419 484847534 /nfs/dbraw/zinc/84/75/34/484847534.db2.gz RYZSRRGTWIFRBT-PBHICJAKSA-N 0 3 357.458 -0.130 20 0 FBADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677888420 484847120 /nfs/dbraw/zinc/84/71/20/484847120.db2.gz RYZSRRGTWIFRBT-RHSMWYFYSA-N 0 3 357.458 -0.130 20 0 FBADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677888421 484846813 /nfs/dbraw/zinc/84/68/13/484846813.db2.gz RYZSRRGTWIFRBT-WMLDXEAASA-N 0 3 357.458 -0.130 20 0 FBADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677888422 484846407 /nfs/dbraw/zinc/84/64/07/484846407.db2.gz RYZSRRGTWIFRBT-YOEHRIQHSA-N 0 3 357.458 -0.130 20 0 FBADHN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000677889679 484847295 /nfs/dbraw/zinc/84/72/95/484847295.db2.gz OOBDUHFDWHURBA-KRWDZBQOSA-N 0 3 363.506 -0.563 20 0 FBADHN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000677889680 484846572 /nfs/dbraw/zinc/84/65/72/484846572.db2.gz OOBDUHFDWHURBA-QGZVFWFLSA-N 0 3 363.506 -0.563 20 0 FBADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000677890855 484846895 /nfs/dbraw/zinc/84/68/95/484846895.db2.gz LDEFKIVJCOPNRB-AWEZNQCLSA-N 0 3 356.423 -0.521 20 0 FBADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000677890857 484847220 /nfs/dbraw/zinc/84/72/20/484847220.db2.gz LDEFKIVJCOPNRB-CQSZACIVSA-N 0 3 356.423 -0.521 20 0 FBADHN CN(CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891787 484847449 /nfs/dbraw/zinc/84/74/49/484847449.db2.gz RHAMNAXXEUGNNO-CVEARBPZSA-N 0 3 356.536 -0.054 20 0 FBADHN CN(CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891788 484848705 /nfs/dbraw/zinc/84/87/05/484848705.db2.gz RHAMNAXXEUGNNO-HOTGVXAUSA-N 0 3 356.536 -0.054 20 0 FBADHN CN(CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891789 484849001 /nfs/dbraw/zinc/84/90/01/484849001.db2.gz RHAMNAXXEUGNNO-HZPDHXFCSA-N 0 3 356.536 -0.054 20 0 FBADHN CN(CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891790 484848606 /nfs/dbraw/zinc/84/86/06/484848606.db2.gz RHAMNAXXEUGNNO-JKSUJKDBSA-N 0 3 356.536 -0.054 20 0 FBADHN O=C(Cn1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)n1)N1CCOCC1 ZINC000677892763 484849543 /nfs/dbraw/zinc/84/95/43/484849543.db2.gz FDHXGXFPRSBLKO-AWEZNQCLSA-N 0 3 362.434 -0.930 20 0 FBADHN O=C(Cn1ccc(NC(=O)[C@H]2CN3CCN2CCC3)n1)N1CCOCC1 ZINC000677892775 484848872 /nfs/dbraw/zinc/84/88/72/484848872.db2.gz FDHXGXFPRSBLKO-CQSZACIVSA-N 0 3 362.434 -0.930 20 0 FBADHN NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000677893220 484848767 /nfs/dbraw/zinc/84/87/67/484848767.db2.gz OLRVLHPIOMRCQQ-KRWDZBQOSA-N 0 3 357.458 -0.176 20 0 FBADHN NC(=O)c1ccc(N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)cc1 ZINC000677893221 484848360 /nfs/dbraw/zinc/84/83/60/484848360.db2.gz OLRVLHPIOMRCQQ-QGZVFWFLSA-N 0 3 357.458 -0.176 20 0 FBADHN O=C(Cn1cc(NC(=O)[C@@H]2CN3CCN2CCC3)cn1)N1CCOCC1 ZINC000677895478 484848419 /nfs/dbraw/zinc/84/84/19/484848419.db2.gz JGIROSDJMCQPBK-HNNXBMFYSA-N 0 3 362.434 -0.930 20 0 FBADHN O=C(Cn1cc(NC(=O)[C@H]2CN3CCN2CCC3)cn1)N1CCOCC1 ZINC000677895479 484849620 /nfs/dbraw/zinc/84/96/20/484849620.db2.gz JGIROSDJMCQPBK-OAHLLOKOSA-N 0 3 362.434 -0.930 20 0 FBADHN CN1CCN(CCCCNC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000677902260 484848469 /nfs/dbraw/zinc/84/84/69/484848469.db2.gz SDFHWWUFVKCJPK-UHFFFAOYSA-N 0 3 371.526 -0.650 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000677965377 484851615 /nfs/dbraw/zinc/85/16/15/484851615.db2.gz AWQUGNXPJIPJRH-CABCVRRESA-N 0 3 365.478 -0.149 20 0 FBADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000677965378 484851472 /nfs/dbraw/zinc/85/14/72/484851472.db2.gz AWQUGNXPJIPJRH-GJZGRUSLSA-N 0 3 365.478 -0.149 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000677965379 484851682 /nfs/dbraw/zinc/85/16/82/484851682.db2.gz AWQUGNXPJIPJRH-HUUCEWRRSA-N 0 3 365.478 -0.149 20 0 FBADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000677965380 484851917 /nfs/dbraw/zinc/85/19/17/484851917.db2.gz AWQUGNXPJIPJRH-LSDHHAIUSA-N 0 3 365.478 -0.149 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677998932 484854067 /nfs/dbraw/zinc/85/40/67/484854067.db2.gz FYVXZJLFVFDLFZ-DLBZAZTESA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677998935 484854206 /nfs/dbraw/zinc/85/42/06/484854206.db2.gz FYVXZJLFVFDLFZ-IAGOWNOFSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677998936 484854602 /nfs/dbraw/zinc/85/46/02/484854602.db2.gz FYVXZJLFVFDLFZ-IRXDYDNUSA-N 0 3 364.490 -0.138 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677998938 484854252 /nfs/dbraw/zinc/85/42/52/484854252.db2.gz FYVXZJLFVFDLFZ-SJORKVTESA-N 0 3 364.490 -0.138 20 0 FBADHN CN(C)CCn1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)n1 ZINC000678007255 484854391 /nfs/dbraw/zinc/85/43/91/484854391.db2.gz JMPILHSMIPYNRC-UHFFFAOYSA-N 0 3 363.422 -0.007 20 0 FBADHN CN(C)CCn1cc(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cn1 ZINC000678009108 484854630 /nfs/dbraw/zinc/85/46/30/484854630.db2.gz FOIKCIPMBSYTSK-UHFFFAOYSA-N 0 3 363.422 -0.007 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000678069794 484855742 /nfs/dbraw/zinc/85/57/42/484855742.db2.gz RRVAMROBDSMJNF-GFCCVEGCSA-N 0 3 353.448 -0.353 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000678069796 484855205 /nfs/dbraw/zinc/85/52/05/484855205.db2.gz RRVAMROBDSMJNF-LBPRGKRZSA-N 0 3 353.448 -0.353 20 0 FBADHN CC(C)(C)NC(=O)CNC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000678080683 484855839 /nfs/dbraw/zinc/85/58/39/484855839.db2.gz DQXAUMXKEIWCJG-AWEZNQCLSA-N 0 3 367.494 -0.569 20 0 FBADHN CC(C)(C)NC(=O)CNC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000678080684 484856243 /nfs/dbraw/zinc/85/62/43/484856243.db2.gz DQXAUMXKEIWCJG-CQSZACIVSA-N 0 3 367.494 -0.569 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000678082625 484855865 /nfs/dbraw/zinc/85/58/65/484855865.db2.gz NTFJHTOKBKXWIV-INIZCTEOSA-N 0 3 362.478 -0.207 20 0 FBADHN CN(Cc1cnn(C)c1)C(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000678082626 484855697 /nfs/dbraw/zinc/85/56/97/484855697.db2.gz NTFJHTOKBKXWIV-MRXNPFEDSA-N 0 3 362.478 -0.207 20 0 FBADHN CN1CCC(N2CC[C@H](NC(=O)N3CCCS(=O)(=O)CC3)C2)CC1 ZINC000678112436 484856692 /nfs/dbraw/zinc/85/66/92/484856692.db2.gz LXCYCEVNSFUUEP-AWEZNQCLSA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC(N2CC[C@@H](NC(=O)N3CCCS(=O)(=O)CC3)C2)CC1 ZINC000678112437 484857492 /nfs/dbraw/zinc/85/74/92/484857492.db2.gz LXCYCEVNSFUUEP-CQSZACIVSA-N 0 3 358.508 -0.015 20 0 FBADHN CC(C)C(=O)NCCN(C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000678118525 484856809 /nfs/dbraw/zinc/85/68/09/484856809.db2.gz VAYUDTJJLZNSDV-UHFFFAOYSA-N 0 3 352.439 -0.386 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCC(CCC(N)=O)CC2)cn1 ZINC000678119339 484856603 /nfs/dbraw/zinc/85/66/03/484856603.db2.gz XZWOTHQJWLNLIN-UHFFFAOYSA-N 0 3 364.450 -0.113 20 0 FBADHN Cn1ccc(CN2CCN(Cc3ccn(C)c(=O)c3)CC(O)C2)cc1=O ZINC000678314346 484859991 /nfs/dbraw/zinc/85/99/91/484859991.db2.gz YWFRZFDKHKPMQZ-UHFFFAOYSA-N 0 3 358.442 -0.237 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000678465861 484862389 /nfs/dbraw/zinc/86/23/89/484862389.db2.gz HUEWHLYVVTVFJD-CYBMUJFWSA-N 0 3 358.468 -0.010 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000678465862 484862649 /nfs/dbraw/zinc/86/26/49/484862649.db2.gz HUEWHLYVVTVFJD-ZDUSSCGKSA-N 0 3 358.468 -0.010 20 0 FBADHN Cn1nnnc1CCNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000678502133 484863755 /nfs/dbraw/zinc/86/37/55/484863755.db2.gz GRYLBTRDWAHUIL-UHFFFAOYSA-N 0 3 372.477 -0.001 20 0 FBADHN Cn1nnnc1CCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000678503826 484863442 /nfs/dbraw/zinc/86/34/42/484863442.db2.gz MRNZYZUPQOHTPM-UHFFFAOYSA-N 0 3 373.465 -0.341 20 0 FBADHN CN(C)CCNC(=O)c1cccc(CNC(=O)NCCc2nnnn2C)c1 ZINC000678505324 484863878 /nfs/dbraw/zinc/86/38/78/484863878.db2.gz ZITAFTTXTMQFSX-UHFFFAOYSA-N 0 3 374.449 -0.457 20 0 FBADHN CN(C)CCOc1ccc(NC(=O)C(=O)NCCc2nnnn2C)cc1 ZINC000678533818 484865514 /nfs/dbraw/zinc/86/55/14/484865514.db2.gz BEPHPFSSYVHTBM-UHFFFAOYSA-N 0 3 361.406 -0.552 20 0 FBADHN CN(C)CCOc1cccc(NC(=O)C(=O)NCCc2nnnn2C)c1 ZINC000678534101 484866011 /nfs/dbraw/zinc/86/60/11/484866011.db2.gz NIKJCZGJYFPPLH-UHFFFAOYSA-N 0 3 361.406 -0.552 20 0 FBADHN CC(C)C[C@H](NC(=O)NCCc1nnnn1C)C(=O)NCCN(C)C ZINC000678564663 484866707 /nfs/dbraw/zinc/86/67/07/484866707.db2.gz DSGNAXNFXMNBIP-LBPRGKRZSA-N 0 3 354.459 -0.856 20 0 FBADHN Cn1nnnc1CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000678564934 484866903 /nfs/dbraw/zinc/86/69/03/484866903.db2.gz SLTLWQZXDVIADB-KRWDZBQOSA-N 0 3 359.434 -0.311 20 0 FBADHN Cn1nnnc1CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000678564935 484867187 /nfs/dbraw/zinc/86/71/87/484867187.db2.gz SLTLWQZXDVIADB-QGZVFWFLSA-N 0 3 359.434 -0.311 20 0 FBADHN Cn1nnnc1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000678565345 484867023 /nfs/dbraw/zinc/86/70/23/484867023.db2.gz ZXPYSXUNDBOQAT-CVEARBPZSA-N 0 3 373.461 -0.065 20 0 FBADHN Cn1nnnc1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000678565346 484867240 /nfs/dbraw/zinc/86/72/40/484867240.db2.gz ZXPYSXUNDBOQAT-HOTGVXAUSA-N 0 3 373.461 -0.065 20 0 FBADHN Cn1nnnc1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000678565347 484866997 /nfs/dbraw/zinc/86/69/97/484866997.db2.gz ZXPYSXUNDBOQAT-HZPDHXFCSA-N 0 3 373.461 -0.065 20 0 FBADHN Cn1nnnc1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000678565348 484866978 /nfs/dbraw/zinc/86/69/78/484866978.db2.gz ZXPYSXUNDBOQAT-JKSUJKDBSA-N 0 3 373.461 -0.065 20 0 FBADHN O=C(CCN1CCN([C@H]2CCOC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000678625898 484868421 /nfs/dbraw/zinc/86/84/21/484868421.db2.gz IUYBHOSYFPFAGE-KRWDZBQOSA-N 0 3 374.489 -0.078 20 0 FBADHN O=C(CCN1CCN([C@@H]2CCOC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000678625901 484868184 /nfs/dbraw/zinc/86/81/84/484868184.db2.gz IUYBHOSYFPFAGE-QGZVFWFLSA-N 0 3 374.489 -0.078 20 0 FBADHN CCN1CCC(n2nccc2NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)CC1 ZINC000678751200 484871379 /nfs/dbraw/zinc/87/13/79/484871379.db2.gz GAGCODDKFDULBR-OKILXGFUSA-N 0 3 365.434 -0.568 20 0 FBADHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000678769208 484871463 /nfs/dbraw/zinc/87/14/63/484871463.db2.gz ONVXJMBTHKECPJ-KBPBESRZSA-N 0 3 367.537 -0.491 20 0 FBADHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000678769209 484871634 /nfs/dbraw/zinc/87/16/34/484871634.db2.gz ONVXJMBTHKECPJ-KGLIPLIRSA-N 0 3 367.537 -0.491 20 0 FBADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000678769210 485304654 /nfs/dbraw/zinc/30/46/54/485304654.db2.gz ONVXJMBTHKECPJ-UONOGXRCSA-N 0 3 367.537 -0.491 20 0 FBADHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000678769211 485304516 /nfs/dbraw/zinc/30/45/16/485304516.db2.gz ONVXJMBTHKECPJ-ZIAGYGMSSA-N 0 3 367.537 -0.491 20 0 FBADHN CC(C)[C@H](NCCNS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC1 ZINC000678778099 484871707 /nfs/dbraw/zinc/87/17/07/484871707.db2.gz IOROHOFTKBDQJI-AWEZNQCLSA-N 0 3 357.480 -0.065 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C(C)C)cc1 ZINC000678791906 484872633 /nfs/dbraw/zinc/87/26/33/484872633.db2.gz AIFXIWMFMITRFY-UHFFFAOYSA-N 0 3 356.448 -0.010 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cc1 ZINC000678793033 484872898 /nfs/dbraw/zinc/87/28/98/484872898.db2.gz XHBLQUKGOBPZCX-AWEZNQCLSA-N 0 3 368.459 -0.010 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)cc1 ZINC000678793035 484872758 /nfs/dbraw/zinc/87/27/58/484872758.db2.gz XHBLQUKGOBPZCX-CQSZACIVSA-N 0 3 368.459 -0.010 20 0 FBADHN Cc1nc(CN2CCN(C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)n[nH]1 ZINC000678888583 484873625 /nfs/dbraw/zinc/87/36/25/484873625.db2.gz FRLGUASGECHYGA-AWEZNQCLSA-N 0 3 356.496 -0.098 20 0 FBADHN Cc1nc(CN2CCN(C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)n[nH]1 ZINC000678888584 484873783 /nfs/dbraw/zinc/87/37/83/484873783.db2.gz FRLGUASGECHYGA-CQSZACIVSA-N 0 3 356.496 -0.098 20 0 FBADHN Cc1nnc(CN2CCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)[nH]1 ZINC000678890033 484874291 /nfs/dbraw/zinc/87/42/91/484874291.db2.gz DVJJMKVQZMTWMV-UHFFFAOYSA-N 0 3 361.494 -0.026 20 0 FBADHN CN1CC=C(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000678908854 484874016 /nfs/dbraw/zinc/87/40/16/484874016.db2.gz QNMAGFDKXJBJSA-UHFFFAOYSA-N 0 3 359.496 -0.875 20 0 FBADHN Cc1nn(C)c2ncc(CNCCN3CCN(S(C)(=O)=O)CC3)cc12 ZINC000678931729 484874411 /nfs/dbraw/zinc/87/44/11/484874411.db2.gz OPUMPTPKLRDUOW-UHFFFAOYSA-N 0 3 366.491 -0.056 20 0 FBADHN C[C@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)CCN1S(C)(=O)=O ZINC000678963683 484875760 /nfs/dbraw/zinc/87/57/60/484875760.db2.gz FURZDPFNUAKHKT-LBPRGKRZSA-N 0 3 358.468 -0.058 20 0 FBADHN COCCN(C(=O)CNC1(CO)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000678972707 484875003 /nfs/dbraw/zinc/87/50/03/484875003.db2.gz AUAWNEXOPHYVKW-AWEZNQCLSA-N 0 3 362.492 -0.067 20 0 FBADHN COCCN(C(=O)CNC1(CO)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000678972708 484874904 /nfs/dbraw/zinc/87/49/04/484874904.db2.gz AUAWNEXOPHYVKW-CQSZACIVSA-N 0 3 362.492 -0.067 20 0 FBADHN O=C(CNC1(CO)CCCCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000678973171 484875679 /nfs/dbraw/zinc/87/56/79/484875679.db2.gz WFBMTCUIBKADED-HNNXBMFYSA-N 0 3 373.519 -0.398 20 0 FBADHN O=C(CNC1(CO)CCCCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000678973174 484874869 /nfs/dbraw/zinc/87/48/69/484874869.db2.gz WFBMTCUIBKADED-OAHLLOKOSA-N 0 3 373.519 -0.398 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)C1 ZINC000678980990 484876332 /nfs/dbraw/zinc/87/63/32/484876332.db2.gz BLSWLQRAWNKPPI-HNNXBMFYSA-N 0 3 353.467 -0.733 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)C1 ZINC000678980991 484876668 /nfs/dbraw/zinc/87/66/68/484876668.db2.gz BLSWLQRAWNKPPI-OAHLLOKOSA-N 0 3 353.467 -0.733 20 0 FBADHN C[C@@H]1C[C@@H](NC2CCN(S(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC000679066436 484876214 /nfs/dbraw/zinc/87/62/14/484876214.db2.gz XALUQFLCJFVCCT-BXUZGUMPSA-N 0 3 355.464 -0.073 20 0 FBADHN C[C@H]1C[C@H](NC2CCN(S(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC000679066437 484876353 /nfs/dbraw/zinc/87/63/53/484876353.db2.gz XALUQFLCJFVCCT-FZMZJTMJSA-N 0 3 355.464 -0.073 20 0 FBADHN C[C@@H]1C[C@H](NC2CCN(S(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC000679066438 484876842 /nfs/dbraw/zinc/87/68/42/484876842.db2.gz XALUQFLCJFVCCT-RISCZKNCSA-N 0 3 355.464 -0.073 20 0 FBADHN C[C@H]1C[C@@H](NC2CCN(S(C)(=O)=O)CC2)C(=O)N1c1cnn(C)c1 ZINC000679066439 484876404 /nfs/dbraw/zinc/87/64/04/484876404.db2.gz XALUQFLCJFVCCT-SMDDNHRTSA-N 0 3 355.464 -0.073 20 0 FBADHN Cn1c2ncn(CCN(CCO)CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000679130153 484877478 /nfs/dbraw/zinc/87/74/78/484877478.db2.gz KCXHKJXSEUUVHV-UHFFFAOYSA-N 0 3 371.441 -0.029 20 0 FBADHN Cn1c2ncn(CCN[C@](C)(CO)c3ccccc3)c2c(=O)n(C)c1=O ZINC000679131219 484878029 /nfs/dbraw/zinc/87/80/29/484878029.db2.gz UQTIVBAIOMDKOU-GOSISDBHSA-N 0 3 357.414 -0.069 20 0 FBADHN Cn1c2ncn(CCN[C@@](C)(CO)c3ccccc3)c2c(=O)n(C)c1=O ZINC000679131220 484877745 /nfs/dbraw/zinc/87/77/45/484877745.db2.gz UQTIVBAIOMDKOU-SFHVURJKSA-N 0 3 357.414 -0.069 20 0 FBADHN CC(C(=O)N1CCN(C(C)(C)CO)CC1)S(=O)(=O)C1CCOCC1 ZINC000679314838 484880556 /nfs/dbraw/zinc/88/05/56/484880556.db2.gz KBIIOFPZMTUAPF-CYBMUJFWSA-N 0 3 362.492 -0.116 20 0 FBADHN CC(C(=O)N1CCN(C(C)(C)CO)CC1)S(=O)(=O)C1CCOCC1 ZINC000679314839 484880663 /nfs/dbraw/zinc/88/06/63/484880663.db2.gz KBIIOFPZMTUAPF-ZDUSSCGKSA-N 0 3 362.492 -0.116 20 0 FBADHN C[C@@H](C(=O)NCCC(=O)N1CCN(C(=O)[C@H](C)N(C)C)CC1)N(C)C ZINC000679318110 484880528 /nfs/dbraw/zinc/88/05/28/484880528.db2.gz BCPXLNURKFVAIP-KBPBESRZSA-N 0 3 355.483 -0.936 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)NCCCN(C)S(C)(=O)=O ZINC000679371342 484882031 /nfs/dbraw/zinc/88/20/31/484882031.db2.gz DWOPAERKQLTRAL-UHFFFAOYSA-N 0 3 363.528 -0.453 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000679374727 484882007 /nfs/dbraw/zinc/88/20/07/484882007.db2.gz BXRMTDRJKSUGHW-UHFFFAOYSA-N 0 3 363.528 -0.407 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)[C@H]2C1 ZINC000679375361 484881857 /nfs/dbraw/zinc/88/18/57/484881857.db2.gz ZAMXMVFUNUGLOM-CABCVRRESA-N 0 3 373.523 -0.701 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)[C@H]2C1 ZINC000679375363 484881702 /nfs/dbraw/zinc/88/17/02/484881702.db2.gz ZAMXMVFUNUGLOM-GJZGRUSLSA-N 0 3 373.523 -0.701 20 0 FBADHN CN1CC[C@@H]2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)[C@@H]2C1 ZINC000679375365 484881629 /nfs/dbraw/zinc/88/16/29/484881629.db2.gz ZAMXMVFUNUGLOM-HUUCEWRRSA-N 0 3 373.523 -0.701 20 0 FBADHN CN1CC[C@H]2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)[C@@H]2C1 ZINC000679375366 484881542 /nfs/dbraw/zinc/88/15/42/484881542.db2.gz ZAMXMVFUNUGLOM-LSDHHAIUSA-N 0 3 373.523 -0.701 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000679406635 484881588 /nfs/dbraw/zinc/88/15/88/484881588.db2.gz FXRWCNITQRGMJK-UHFFFAOYSA-N 0 3 355.464 -0.142 20 0 FBADHN CN(CCC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccncc1 ZINC000679407826 484882100 /nfs/dbraw/zinc/88/21/00/484882100.db2.gz VJNYOXVDGRAAAO-UHFFFAOYSA-N 0 3 369.491 -0.399 20 0 FBADHN O=C(CN1CCC(O)(CN2CCOCC2)CC1)N1CCOC[C@H]1C1CC1 ZINC000679424132 484882855 /nfs/dbraw/zinc/88/28/55/484882855.db2.gz MTOCEVBKBVHIET-KRWDZBQOSA-N 0 3 367.490 -0.217 20 0 FBADHN O=C(CN1CCC(O)(CN2CCOCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000679424134 484883024 /nfs/dbraw/zinc/88/30/24/484883024.db2.gz MTOCEVBKBVHIET-QGZVFWFLSA-N 0 3 367.490 -0.217 20 0 FBADHN CN(C)CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000679428256 484882956 /nfs/dbraw/zinc/88/29/56/484882956.db2.gz KTEBGQAOJBQUCP-UHFFFAOYSA-N 0 3 370.479 -0.154 20 0 FBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3ccncc3)CC2)CC1 ZINC000679440571 484883010 /nfs/dbraw/zinc/88/30/10/484883010.db2.gz OSPHCXNDZVVLDY-UHFFFAOYSA-N 0 3 374.489 -0.564 20 0 FBADHN Cn1c2ncn(CCN3CCN(c4ccncc4)CC3)c2c(=O)n(C)c1=O ZINC000679441020 484882807 /nfs/dbraw/zinc/88/28/07/484882807.db2.gz WZQQUEGIVLGMDT-UHFFFAOYSA-N 0 3 369.429 -0.349 20 0 FBADHN NC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000679500860 484884297 /nfs/dbraw/zinc/88/42/97/484884297.db2.gz REFUCUSPQCGIKZ-UHFFFAOYSA-N 0 3 354.370 -0.137 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccnn2-c2ccncc2)CC1 ZINC000679501148 484884484 /nfs/dbraw/zinc/88/44/84/484884484.db2.gz ZTEQGVUIOOTNCJ-UHFFFAOYSA-N 0 3 371.445 -0.041 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)C1 ZINC000679507249 484885454 /nfs/dbraw/zinc/88/54/54/484885454.db2.gz VQFXOWFVWHLXAZ-CYBMUJFWSA-N 0 3 374.445 -0.643 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)C1 ZINC000679507250 484885584 /nfs/dbraw/zinc/88/55/84/484885584.db2.gz VQFXOWFVWHLXAZ-ZDUSSCGKSA-N 0 3 374.445 -0.643 20 0 FBADHN CC(C)N1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1=O ZINC000679525703 484885670 /nfs/dbraw/zinc/88/56/70/484885670.db2.gz NRNVKXZCFGDIPM-UHFFFAOYSA-N 0 3 350.423 -0.538 20 0 FBADHN CN1CCN(C(C)(C)CNC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000679590716 484885628 /nfs/dbraw/zinc/88/56/28/484885628.db2.gz DLUWVMLUWMMESZ-UHFFFAOYSA-N 0 3 351.455 -0.535 20 0 FBADHN C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C1=CCN(C)CC1 ZINC000679709730 484887708 /nfs/dbraw/zinc/88/77/08/484887708.db2.gz CYKONTQWVNKLRL-CYBMUJFWSA-N 0 3 359.496 -0.230 20 0 FBADHN C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C1=CCN(C)CC1 ZINC000679709732 484888497 /nfs/dbraw/zinc/88/84/97/484888497.db2.gz CYKONTQWVNKLRL-ZDUSSCGKSA-N 0 3 359.496 -0.230 20 0 FBADHN C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C1=CCN(C)CC1 ZINC000679718621 484889205 /nfs/dbraw/zinc/88/92/05/484889205.db2.gz GVAZMYIYAWHNAW-AWEZNQCLSA-N 0 3 373.523 -0.487 20 0 FBADHN C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C1=CCN(C)CC1 ZINC000679718622 484889295 /nfs/dbraw/zinc/88/92/95/484889295.db2.gz GVAZMYIYAWHNAW-CQSZACIVSA-N 0 3 373.523 -0.487 20 0 FBADHN CN(C)CCOc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)ccn1 ZINC000679720908 484889491 /nfs/dbraw/zinc/88/94/91/484889491.db2.gz YPGVXAZMIPROMY-UHFFFAOYSA-N 0 3 363.462 -0.132 20 0 FBADHN Cn1nnnc1CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000679765674 484890773 /nfs/dbraw/zinc/89/07/73/484890773.db2.gz PWCGEJODYLZYBV-HNNXBMFYSA-N 0 3 359.434 -0.181 20 0 FBADHN Cn1nnnc1CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000679765675 484890527 /nfs/dbraw/zinc/89/05/27/484890527.db2.gz PWCGEJODYLZYBV-OAHLLOKOSA-N 0 3 359.434 -0.181 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(=O)n(C)c3)CC2)C1 ZINC000679796124 484891961 /nfs/dbraw/zinc/89/19/61/484891961.db2.gz QYCLSLHPQKJJIZ-HNNXBMFYSA-N 0 3 361.446 -0.438 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(=O)n(C)c3)CC2)C1 ZINC000679796126 484891996 /nfs/dbraw/zinc/89/19/96/484891996.db2.gz QYCLSLHPQKJJIZ-OAHLLOKOSA-N 0 3 361.446 -0.438 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cn(C)nn1 ZINC000679972859 484897439 /nfs/dbraw/zinc/89/74/39/484897439.db2.gz IMUGXYDGBUMBAD-INIZCTEOSA-N 0 3 373.461 -0.097 20 0 FBADHN CCN1CCO[C@H](CN2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)C1 ZINC000680010855 484898609 /nfs/dbraw/zinc/89/86/09/484898609.db2.gz KTEXAYHSCGYFSH-MSOLQXFVSA-N 0 3 368.522 -0.180 20 0 FBADHN CCN1CCO[C@@H](CN2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)C1 ZINC000680010856 484899054 /nfs/dbraw/zinc/89/90/54/484899054.db2.gz KTEXAYHSCGYFSH-QZTJIDSGSA-N 0 3 368.522 -0.180 20 0 FBADHN CCN1CCO[C@H](CN2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)C1 ZINC000680010857 484898509 /nfs/dbraw/zinc/89/85/09/484898509.db2.gz KTEXAYHSCGYFSH-ROUUACIJSA-N 0 3 368.522 -0.180 20 0 FBADHN CCN1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)C1 ZINC000680010858 484899239 /nfs/dbraw/zinc/89/92/39/484899239.db2.gz KTEXAYHSCGYFSH-ZWKOTPCHSA-N 0 3 368.522 -0.180 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1 ZINC000680135817 484900639 /nfs/dbraw/zinc/90/06/39/484900639.db2.gz IKLJCVBRMDOQAC-UHFFFAOYSA-N 0 3 356.448 -0.010 20 0 FBADHN CCN(CC)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000680159141 484900554 /nfs/dbraw/zinc/90/05/54/484900554.db2.gz NKFHYMKLXGKTKB-UHFFFAOYSA-N 0 3 356.448 -0.009 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000680159689 484900502 /nfs/dbraw/zinc/90/05/02/484900502.db2.gz QXIMOMRWKWPWIZ-UHFFFAOYSA-N 0 3 354.432 -0.256 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000680162172 484900519 /nfs/dbraw/zinc/90/05/19/484900519.db2.gz MNYANHNPJRZCAJ-GFCCVEGCSA-N 0 3 368.459 -0.009 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000680162173 484900214 /nfs/dbraw/zinc/90/02/14/484900214.db2.gz MNYANHNPJRZCAJ-LBPRGKRZSA-N 0 3 368.459 -0.009 20 0 FBADHN CN(C)CCNC(=O)c1ccc(NC(=O)CS(=O)(=O)N(C)C)cc1 ZINC000680183445 484901718 /nfs/dbraw/zinc/90/17/18/484901718.db2.gz KBPFTYHFKDSMFO-UHFFFAOYSA-N 0 3 356.448 -0.192 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000680319795 484902973 /nfs/dbraw/zinc/90/29/73/484902973.db2.gz HYYDJHYZCTXQBC-NSHDSACASA-N 0 3 362.452 -0.347 20 0 FBADHN CN1CCC(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000680355048 484904686 /nfs/dbraw/zinc/90/46/86/484904686.db2.gz YXYBRCITGHNEBE-UHFFFAOYSA-N 0 3 352.479 -0.279 20 0 FBADHN CN1CCC(CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000680369087 484904162 /nfs/dbraw/zinc/90/41/62/484904162.db2.gz AYEAVZKHNIZQSA-UHFFFAOYSA-N 0 3 366.462 -0.752 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)Nc2nccn(C)c2=O)cn1 ZINC000680478543 484907420 /nfs/dbraw/zinc/90/74/20/484907420.db2.gz ABMNRUSVDCMWQU-UHFFFAOYSA-N 0 3 362.394 -0.701 20 0 FBADHN CN(C)CCNC(=O)C1CCN(C(=O)Nc2nccn(C)c2=O)CC1 ZINC000680479789 484907539 /nfs/dbraw/zinc/90/75/39/484907539.db2.gz AQULYHJQSSERAB-UHFFFAOYSA-N 0 3 350.423 -0.298 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000680516366 484910095 /nfs/dbraw/zinc/91/00/95/484910095.db2.gz BQLITVKNIKVRHO-CABCVRRESA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000680516367 484910788 /nfs/dbraw/zinc/91/07/88/484910788.db2.gz BQLITVKNIKVRHO-GJZGRUSLSA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000680516368 484909994 /nfs/dbraw/zinc/90/99/94/484909994.db2.gz BQLITVKNIKVRHO-HUUCEWRRSA-N 0 3 358.508 -0.015 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000680516369 484910617 /nfs/dbraw/zinc/91/06/17/484910617.db2.gz BQLITVKNIKVRHO-LSDHHAIUSA-N 0 3 358.508 -0.015 20 0 FBADHN O=C(CN1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1)N1CCOCC1 ZINC000680525781 484909854 /nfs/dbraw/zinc/90/98/54/484909854.db2.gz AWEVKQWTYWQPGR-GOSISDBHSA-N 0 3 364.490 -0.136 20 0 FBADHN O=C(CN1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1)N1CCOCC1 ZINC000680525782 484910544 /nfs/dbraw/zinc/91/05/44/484910544.db2.gz AWEVKQWTYWQPGR-SFHVURJKSA-N 0 3 364.490 -0.136 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cccc1-n1cnnn1 ZINC000680825236 484913699 /nfs/dbraw/zinc/91/36/99/484913699.db2.gz ATLIMMYBICAWJD-INIZCTEOSA-N 0 3 359.390 -0.908 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cccc1-n1cnnn1 ZINC000680825245 484913753 /nfs/dbraw/zinc/91/37/53/484913753.db2.gz ATLIMMYBICAWJD-MRXNPFEDSA-N 0 3 359.390 -0.908 20 0 FBADHN COCCOc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000680825535 484913300 /nfs/dbraw/zinc/91/33/00/484913300.db2.gz DYERIVHYBWHVMB-KRWDZBQOSA-N 0 3 351.403 -0.167 20 0 FBADHN COCCOc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000680825537 484913715 /nfs/dbraw/zinc/91/37/15/484913715.db2.gz 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ZINC000680827521 484912889 /nfs/dbraw/zinc/91/28/89/484912889.db2.gz DWEFFHIAHDXPMR-XHDPSFHLSA-N 0 3 359.423 -0.325 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 ZINC000680827817 484913432 /nfs/dbraw/zinc/91/34/32/484913432.db2.gz MWQLUIHZULEKDC-INIZCTEOSA-N 0 3 355.460 -0.425 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 ZINC000680827820 484913007 /nfs/dbraw/zinc/91/30/07/484913007.db2.gz MWQLUIHZULEKDC-MRXNPFEDSA-N 0 3 355.460 -0.425 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)C1 ZINC000680828140 484912839 /nfs/dbraw/zinc/91/28/39/484912839.db2.gz OGKVSSDSCUSOPB-CRAIPNDOSA-N 0 3 359.430 -0.070 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)C1 ZINC000680828141 484915426 /nfs/dbraw/zinc/91/54/26/484915426.db2.gz OGKVSSDSCUSOPB-MAUKXSAKSA-N 0 3 359.430 -0.070 20 0 FBADHN CN1CC[C@](O)(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)C1 ZINC000680828143 484914879 /nfs/dbraw/zinc/91/48/79/484914879.db2.gz OGKVSSDSCUSOPB-QAPCUYQASA-N 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CN(C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000681207834 484926534 /nfs/dbraw/zinc/92/65/34/484926534.db2.gz OIWAFMOIDRXYFH-ZFWWWQNUSA-N 0 3 358.508 -0.017 20 0 FBADHN C[C@@H](O)CN1CCN(c2cc(N3CCN(C[C@H](C)O)CC3)ncn2)CC1 ZINC000681229075 484926117 /nfs/dbraw/zinc/92/61/17/484926117.db2.gz ADHZYMOTFWJJGF-IYBDPMFKSA-N 0 3 364.494 -0.518 20 0 FBADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000681250971 484926585 /nfs/dbraw/zinc/92/65/85/484926585.db2.gz XXSMTNUSKZDMKV-UHFFFAOYSA-N 0 3 369.491 -0.092 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)nn1C ZINC000681313086 484927398 /nfs/dbraw/zinc/92/73/98/484927398.db2.gz XMUBBQBGDRBXKU-CYBMUJFWSA-N 0 3 364.450 -0.394 20 0 FBADHN COc1cc(NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)nn1C ZINC000681313087 484927424 /nfs/dbraw/zinc/92/74/24/484927424.db2.gz XMUBBQBGDRBXKU-ZDUSSCGKSA-N 0 3 364.450 -0.394 20 0 FBADHN CN(C)CCn1cc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000681409567 484929200 /nfs/dbraw/zinc/92/92/00/484929200.db2.gz VMOWXKBTCSEYRW-CYBMUJFWSA-N 0 3 359.452 -0.542 20 0 FBADHN CN(C)CCn1cc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000681409569 484929280 /nfs/dbraw/zinc/92/92/80/484929280.db2.gz VMOWXKBTCSEYRW-ZDUSSCGKSA-N 0 3 359.452 -0.542 20 0 FBADHN CCN(CCO)CCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000681498517 484932339 /nfs/dbraw/zinc/93/23/39/484932339.db2.gz ABQVGEYLMZIFCB-GFCCVEGCSA-N 0 3 359.452 -0.322 20 0 FBADHN CCN(CCO)CCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000681498520 484931923 /nfs/dbraw/zinc/93/19/23/484931923.db2.gz ABQVGEYLMZIFCB-LBPRGKRZSA-N 0 3 359.452 -0.322 20 0 FBADHN CN(C)CCOCCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000681500746 484933314 /nfs/dbraw/zinc/93/33/14/484933314.db2.gz SMBRUUYYUAWNCG-GFCCVEGCSA-N 0 3 359.452 -0.058 20 0 FBADHN CN(C)CCOCCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000681500748 484933352 /nfs/dbraw/zinc/93/33/52/484933352.db2.gz SMBRUUYYUAWNCG-LBPRGKRZSA-N 0 3 359.452 -0.058 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCN(C)C1=O ZINC000681532288 484932968 /nfs/dbraw/zinc/93/29/68/484932968.db2.gz PKLZLGQNYRGQRL-CVEARBPZSA-N 0 3 360.458 -0.130 20 0 FBADHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCN(C)C1=O ZINC000681532289 484934019 /nfs/dbraw/zinc/93/40/19/484934019.db2.gz PKLZLGQNYRGQRL-HOTGVXAUSA-N 0 3 360.458 -0.130 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000681666557 484937204 /nfs/dbraw/zinc/93/72/04/484937204.db2.gz XZFCDVGITKDVAE-UHFFFAOYSA-N 0 3 353.448 -0.195 20 0 FBADHN C[C@@H]1CN(c2nccnc2N2CCN(CCO)[C@@H](C)C2)CCN1CCO ZINC000681674434 484937499 /nfs/dbraw/zinc/93/74/99/484937499.db2.gz JGMKXLRMJOQKAW-IYBDPMFKSA-N 0 3 364.494 -0.518 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000681760747 484940162 /nfs/dbraw/zinc/94/01/62/484940162.db2.gz BFEYFLXIAUJPKI-KRWDZBQOSA-N 0 3 367.471 -0.369 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000681760750 484939766 /nfs/dbraw/zinc/93/97/66/484939766.db2.gz BFEYFLXIAUJPKI-QGZVFWFLSA-N 0 3 367.471 -0.369 20 0 FBADHN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000681787147 484940856 /nfs/dbraw/zinc/94/08/56/484940856.db2.gz FBOICUYEQJBVAC-NEPJUHHUSA-N 0 3 350.423 -0.504 20 0 FBADHN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000681787148 484941342 /nfs/dbraw/zinc/94/13/42/484941342.db2.gz FBOICUYEQJBVAC-NWDGAFQWSA-N 0 3 350.423 -0.504 20 0 FBADHN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000681787149 484940938 /nfs/dbraw/zinc/94/09/38/484940938.db2.gz FBOICUYEQJBVAC-RYUDHWBXSA-N 0 3 350.423 -0.504 20 0 FBADHN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000681787150 484941061 /nfs/dbraw/zinc/94/10/61/484941061.db2.gz FBOICUYEQJBVAC-VXGBXAGGSA-N 0 3 350.423 -0.504 20 0 FBADHN CN(CC(N)=O)C[C@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000681930095 484946199 /nfs/dbraw/zinc/94/61/99/484946199.db2.gz JOTCHJHFXGSEQA-HNNXBMFYSA-N 0 3 353.467 -0.559 20 0 FBADHN CN(CC(N)=O)C[C@@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000681930096 484947398 /nfs/dbraw/zinc/94/73/98/484947398.db2.gz JOTCHJHFXGSEQA-OAHLLOKOSA-N 0 3 353.467 -0.559 20 0 FBADHN CN(C)CCNC(=O)c1ccc(NC(=O)CN2CCN(C)C(=O)C2)cc1 ZINC000681958515 484952149 /nfs/dbraw/zinc/95/21/49/484952149.db2.gz NGJAPHZYNMMLKH-UHFFFAOYSA-N 0 3 361.446 -0.310 20 0 FBADHN CC(C(=O)N1CCN(CCO)C(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000682011245 484954343 /nfs/dbraw/zinc/95/43/43/484954343.db2.gz UQAXJOZVWWQFGZ-CYBMUJFWSA-N 0 3 362.492 -0.116 20 0 FBADHN CC(C(=O)N1CCN(CCO)C(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000682011250 484953450 /nfs/dbraw/zinc/95/34/50/484953450.db2.gz UQAXJOZVWWQFGZ-ZDUSSCGKSA-N 0 3 362.492 -0.116 20 0 FBADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(CCO)C(C)(C)C2)C1 ZINC000682035083 484953515 /nfs/dbraw/zinc/95/35/15/484953515.db2.gz GLTVKWUTZCQQSN-KRWDZBQOSA-N 0 3 370.538 -0.152 20 0 FBADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(CCO)C(C)(C)C2)C1 ZINC000682035084 484953886 /nfs/dbraw/zinc/95/38/86/484953886.db2.gz GLTVKWUTZCQQSN-QGZVFWFLSA-N 0 3 370.538 -0.152 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCN(CCO)C(C)(C)C2)cn1 ZINC000682065668 484955072 /nfs/dbraw/zinc/95/50/72/484955072.db2.gz NIPYBHNIEVLWOC-UHFFFAOYSA-N 0 3 366.466 -0.702 20 0 FBADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(CCO)C(C)(C)C2)n1 ZINC000682066604 484955751 /nfs/dbraw/zinc/95/57/51/484955751.db2.gz WOFGIKLNWIUSCM-UHFFFAOYSA-N 0 3 366.466 -0.702 20 0 FBADHN COCCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000682067025 484955348 /nfs/dbraw/zinc/95/53/48/484955348.db2.gz RRLBTMLOHJTGLN-AWEZNQCLSA-N 0 3 353.423 -0.353 20 0 FBADHN COCCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000682067026 484954764 /nfs/dbraw/zinc/95/47/64/484954764.db2.gz RRLBTMLOHJTGLN-CQSZACIVSA-N 0 3 353.423 -0.353 20 0 FBADHN CN(C)C1(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCC1 ZINC000682088709 484955840 /nfs/dbraw/zinc/95/58/40/484955840.db2.gz OJIXKNFIXITWJW-UHFFFAOYSA-N 0 3 361.512 -0.653 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000682089166 484954966 /nfs/dbraw/zinc/95/49/66/484954966.db2.gz KTMQDCKPICJDFO-GFCCVEGCSA-N 0 3 368.459 -0.009 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000682089167 484954839 /nfs/dbraw/zinc/95/48/39/484954839.db2.gz KTMQDCKPICJDFO-LBPRGKRZSA-N 0 3 368.459 -0.009 20 0 FBADHN CN(C)C1(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 ZINC000682091515 484955411 /nfs/dbraw/zinc/95/54/11/484955411.db2.gz SFCCZELTTGWWGU-UHFFFAOYSA-N 0 3 365.478 -0.053 20 0 FBADHN CN1CCN(Cc2cccc(NC(=O)C(=O)NCc3c[nH]nn3)c2)CC1 ZINC000682181502 484957844 /nfs/dbraw/zinc/95/78/44/484957844.db2.gz UBZJYWZTKZDVLC-UHFFFAOYSA-N 0 3 357.418 -0.193 20 0 FBADHN CN1CCN(Cc2cccc(NC(=O)C(=O)NCc3cn[nH]n3)c2)CC1 ZINC000682181502 484957835 /nfs/dbraw/zinc/95/78/35/484957835.db2.gz UBZJYWZTKZDVLC-UHFFFAOYSA-N 0 3 357.418 -0.193 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cn1 ZINC000682181675 484958419 /nfs/dbraw/zinc/95/84/19/484958419.db2.gz OEWNPFLYKBBXTR-HNNXBMFYSA-N 0 3 372.429 -0.404 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)cn1 ZINC000682181679 484957773 /nfs/dbraw/zinc/95/77/73/484957773.db2.gz OEWNPFLYKBBXTR-OAHLLOKOSA-N 0 3 372.429 -0.404 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cn1 ZINC000682189833 484958576 /nfs/dbraw/zinc/95/85/76/484958576.db2.gz AKWJFHRCMVXCEA-KBPBESRZSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cn1 ZINC000682189834 484958327 /nfs/dbraw/zinc/95/83/27/484958327.db2.gz AKWJFHRCMVXCEA-KGLIPLIRSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cn1 ZINC000682189837 484957910 /nfs/dbraw/zinc/95/79/10/484957910.db2.gz AKWJFHRCMVXCEA-UONOGXRCSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 ZINC000682189840 484957634 /nfs/dbraw/zinc/95/76/34/484957634.db2.gz AKWJFHRCMVXCEA-ZIAGYGMSSA-N 0 3 362.434 -0.347 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N(C)CCN2CCOCC2)cn1 ZINC000682217008 484958102 /nfs/dbraw/zinc/95/81/02/484958102.db2.gz AXJKBFONRGLMFW-UHFFFAOYSA-N 0 3 352.439 -0.826 20 0 FBADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000682222187 484959348 /nfs/dbraw/zinc/95/93/48/484959348.db2.gz ICWKDMCCKBIQNL-UHFFFAOYSA-N 0 3 367.425 -0.185 20 0 FBADHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c(OC)n1 ZINC000682222394 484959657 /nfs/dbraw/zinc/95/96/57/484959657.db2.gz SWSMCSYTGYGFSE-UHFFFAOYSA-N 0 3 367.450 -0.011 20 0 FBADHN CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682224667 484959747 /nfs/dbraw/zinc/95/97/47/484959747.db2.gz UODZGYBEYHLXBW-CYBMUJFWSA-N 0 3 350.423 -0.634 20 0 FBADHN CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682224670 484958861 /nfs/dbraw/zinc/95/88/61/484958861.db2.gz UODZGYBEYHLXBW-ZDUSSCGKSA-N 0 3 350.423 -0.634 20 0 FBADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000682256381 484958872 /nfs/dbraw/zinc/95/88/72/484958872.db2.gz AGQQWXSGUYALJS-VXGBXAGGSA-N 0 3 367.431 -0.205 20 0 FBADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000682256611 484959524 /nfs/dbraw/zinc/95/95/24/484959524.db2.gz LAXWVWBLOQMPLC-DGCLKSJQSA-N 0 3 352.416 -0.023 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000682271597 484960158 /nfs/dbraw/zinc/96/01/58/484960158.db2.gz CBOJZPHSSCOLFG-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000682271600 484960571 /nfs/dbraw/zinc/96/05/71/484960571.db2.gz CBOJZPHSSCOLFG-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000682273051 484960201 /nfs/dbraw/zinc/96/02/01/484960201.db2.gz PNEASAWPYBVULB-CYBMUJFWSA-N 0 3 364.450 -0.100 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000682273053 484960029 /nfs/dbraw/zinc/96/00/29/484960029.db2.gz PNEASAWPYBVULB-ZDUSSCGKSA-N 0 3 364.450 -0.100 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000682274217 484960512 /nfs/dbraw/zinc/96/05/12/484960512.db2.gz PLBXOJDUMWAQAD-CYBMUJFWSA-N 0 3 364.450 -0.133 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000682274221 484960611 /nfs/dbraw/zinc/96/06/11/484960611.db2.gz PLBXOJDUMWAQAD-ZDUSSCGKSA-N 0 3 364.450 -0.133 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO ZINC000682275353 484960623 /nfs/dbraw/zinc/96/06/23/484960623.db2.gz KNUVKPJKOCXWFE-QWHCGFSZSA-N 0 3 351.403 -0.351 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000682277094 484960487 /nfs/dbraw/zinc/96/04/87/484960487.db2.gz DKHKYXSZOKRIOC-GFCCVEGCSA-N 0 3 350.423 -0.442 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000682277095 484960175 /nfs/dbraw/zinc/96/01/75/484960175.db2.gz DKHKYXSZOKRIOC-LBPRGKRZSA-N 0 3 350.423 -0.442 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)[C@H](C)C1 ZINC000682280521 484960260 /nfs/dbraw/zinc/96/02/60/484960260.db2.gz DACIEMIVVQFEFP-GFCCVEGCSA-N 0 3 350.423 -0.538 20 0 FBADHN CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)[C@@H](C)C1 ZINC000682280522 484960439 /nfs/dbraw/zinc/96/04/39/484960439.db2.gz DACIEMIVVQFEFP-LBPRGKRZSA-N 0 3 350.423 -0.538 20 0 FBADHN CNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000682288149 484961704 /nfs/dbraw/zinc/96/17/04/484961704.db2.gz GJCYCHLOIBWMMZ-LBPRGKRZSA-N 0 3 352.439 -0.340 20 0 FBADHN CNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682288338 484961364 /nfs/dbraw/zinc/96/13/64/484961364.db2.gz PORIPVKHWREBCE-ZDUSSCGKSA-N 0 3 352.439 -0.340 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cn1 ZINC000682290294 484961128 /nfs/dbraw/zinc/96/11/28/484961128.db2.gz VGVSHJWLPBFKNZ-CHWSQXEVSA-N 0 3 350.423 -0.457 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(N)=O)cn1 ZINC000682290295 484961151 /nfs/dbraw/zinc/96/11/51/484961151.db2.gz VGVSHJWLPBFKNZ-OLZOCXBDSA-N 0 3 350.423 -0.457 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000682290298 484961575 /nfs/dbraw/zinc/96/15/75/484961575.db2.gz VGVSHJWLPBFKNZ-QWHCGFSZSA-N 0 3 350.423 -0.457 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000682290300 484961637 /nfs/dbraw/zinc/96/16/37/484961637.db2.gz VGVSHJWLPBFKNZ-STQMWFEESA-N 0 3 350.423 -0.457 20 0 FBADHN CC(C)CN1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1=O ZINC000682293771 484961105 /nfs/dbraw/zinc/96/11/05/484961105.db2.gz ASBSGSNAQKRAQM-UHFFFAOYSA-N 0 3 364.450 -0.290 20 0 FBADHN COCCCOC1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000682293779 484961477 /nfs/dbraw/zinc/96/14/77/484961477.db2.gz CRNRKQOMYPUVHI-UHFFFAOYSA-N 0 3 353.423 -0.353 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CN(c3ccccc3)C2=O)cn1 ZINC000682297842 484961270 /nfs/dbraw/zinc/96/12/70/484961270.db2.gz KZGPXTCQPFBODG-HNNXBMFYSA-N 0 3 370.413 -0.085 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CN(c3ccccc3)C2=O)cn1 ZINC000682297844 484961172 /nfs/dbraw/zinc/96/11/72/484961172.db2.gz KZGPXTCQPFBODG-OAHLLOKOSA-N 0 3 370.413 -0.085 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000682299895 484961749 /nfs/dbraw/zinc/96/17/49/484961749.db2.gz DBLVBWLJFMDPJA-UHFFFAOYSA-N 0 3 350.375 -0.350 20 0 FBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1 ZINC000682299998 484961650 /nfs/dbraw/zinc/96/16/50/484961650.db2.gz GVJURADLYZKPRG-UHFFFAOYSA-N 0 3 372.447 -0.772 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000682300255 484961566 /nfs/dbraw/zinc/96/15/66/484961566.db2.gz MMENFMKTIGKTOT-UHFFFAOYSA-N 0 3 360.418 -0.041 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000682300365 484961069 /nfs/dbraw/zinc/96/10/69/484961069.db2.gz OTCXFRCHLOEHOJ-AWEZNQCLSA-N 0 3 353.423 -0.305 20 0 FBADHN CN(C)CCOCCNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000682300366 484961785 /nfs/dbraw/zinc/96/17/85/484961785.db2.gz OTCXFRCHLOEHOJ-CQSZACIVSA-N 0 3 353.423 -0.305 20 0 FBADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682300396 484961585 /nfs/dbraw/zinc/96/15/85/484961585.db2.gz PTBDHJYYMFJTGX-AWEZNQCLSA-N 0 3 364.450 -0.148 20 0 FBADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682300397 484961236 /nfs/dbraw/zinc/96/12/36/484961236.db2.gz PTBDHJYYMFJTGX-CQSZACIVSA-N 0 3 364.450 -0.148 20 0 FBADHN CNC(=O)Cc1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1 ZINC000682300418 484961344 /nfs/dbraw/zinc/96/13/44/484961344.db2.gz QLNOZRDWYVCFCF-UHFFFAOYSA-N 0 3 350.419 -0.392 20 0 FBADHN CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682300964 484961329 /nfs/dbraw/zinc/96/13/29/484961329.db2.gz YHMHZUHSXPOPGO-CYBMUJFWSA-N 0 3 350.423 -0.490 20 0 FBADHN CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682300965 484961095 /nfs/dbraw/zinc/96/10/95/484961095.db2.gz YHMHZUHSXPOPGO-ZDUSSCGKSA-N 0 3 350.423 -0.490 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)cn1 ZINC000682307587 484962259 /nfs/dbraw/zinc/96/22/59/484962259.db2.gz SADGNLHCTPFSJA-JTQLQIEISA-N 0 3 351.329 -0.235 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)cn1 ZINC000682307588 484961689 /nfs/dbraw/zinc/96/16/89/484961689.db2.gz SADGNLHCTPFSJA-SNVBAGLBSA-N 0 3 351.329 -0.235 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cn1 ZINC000682322875 484962199 /nfs/dbraw/zinc/96/21/99/484962199.db2.gz DSEZFSGUQIWYJB-CYBMUJFWSA-N 0 3 355.464 -0.290 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cn1 ZINC000682322876 484962809 /nfs/dbraw/zinc/96/28/09/484962809.db2.gz DSEZFSGUQIWYJB-ZDUSSCGKSA-N 0 3 355.464 -0.290 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cn1 ZINC000682324034 484962528 /nfs/dbraw/zinc/96/25/28/484962528.db2.gz JIXQKMANGBDITM-KBPBESRZSA-N 0 3 364.450 -0.066 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cn1 ZINC000682324038 484962693 /nfs/dbraw/zinc/96/26/93/484962693.db2.gz JIXQKMANGBDITM-KGLIPLIRSA-N 0 3 364.450 -0.066 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cn1 ZINC000682324042 484962587 /nfs/dbraw/zinc/96/25/87/484962587.db2.gz JIXQKMANGBDITM-UONOGXRCSA-N 0 3 364.450 -0.066 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cn1 ZINC000682324045 484962311 /nfs/dbraw/zinc/96/23/11/484962311.db2.gz JIXQKMANGBDITM-ZIAGYGMSSA-N 0 3 364.450 -0.066 20 0 FBADHN CC(C)C1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 ZINC000682333703 484962435 /nfs/dbraw/zinc/96/24/35/484962435.db2.gz QCDCHQOKGGFFKL-UHFFFAOYSA-N 0 3 364.450 -0.386 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC000682336879 484962913 /nfs/dbraw/zinc/96/29/13/484962913.db2.gz KNUVKPJKOCXWFE-CHWSQXEVSA-N 0 3 351.403 -0.351 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000682336880 484962237 /nfs/dbraw/zinc/96/22/37/484962237.db2.gz KNUVKPJKOCXWFE-OLZOCXBDSA-N 0 3 351.403 -0.351 20 0 FBADHN CCOCCOC1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000682345290 484963651 /nfs/dbraw/zinc/96/36/51/484963651.db2.gz CLFKQKYNGBHQEA-UHFFFAOYSA-N 0 3 353.423 -0.353 20 0 FBADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682350813 484963930 /nfs/dbraw/zinc/96/39/30/484963930.db2.gz KECKNLJLIRVIDS-GXTWGEPZSA-N 0 3 353.423 -0.619 20 0 FBADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682350814 484963438 /nfs/dbraw/zinc/96/34/38/484963438.db2.gz KECKNLJLIRVIDS-JSGCOSHPSA-N 0 3 353.423 -0.619 20 0 FBADHN C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682350815 484963412 /nfs/dbraw/zinc/96/34/12/484963412.db2.gz KECKNLJLIRVIDS-OCCSQVGLSA-N 0 3 353.423 -0.619 20 0 FBADHN C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682350816 484964139 /nfs/dbraw/zinc/96/41/39/484964139.db2.gz KECKNLJLIRVIDS-TZMCWYRMSA-N 0 3 353.423 -0.619 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H](C)O1 ZINC000682411227 484966247 /nfs/dbraw/zinc/96/62/47/484966247.db2.gz NNAPKURFXQRBKN-GXTWGEPZSA-N 0 3 353.423 -0.355 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H](C)O1 ZINC000682411228 484966140 /nfs/dbraw/zinc/96/61/40/484966140.db2.gz NNAPKURFXQRBKN-JSGCOSHPSA-N 0 3 353.423 -0.355 20 0 FBADHN COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H](C)O1 ZINC000682411229 484965995 /nfs/dbraw/zinc/96/59/95/484965995.db2.gz NNAPKURFXQRBKN-OCCSQVGLSA-N 0 3 353.423 -0.355 20 0 FBADHN COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H](C)O1 ZINC000682411230 484966016 /nfs/dbraw/zinc/96/60/16/484966016.db2.gz NNAPKURFXQRBKN-TZMCWYRMSA-N 0 3 353.423 -0.355 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCC2CS(=O)(=O)C2)CC1 ZINC000682480254 484966675 /nfs/dbraw/zinc/96/66/75/484966675.db2.gz ONWSUJAGTSUUKB-UHFFFAOYSA-N 0 3 374.507 -0.383 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCc3nccn3C2)cn1 ZINC000682506967 484968495 /nfs/dbraw/zinc/96/84/95/484968495.db2.gz ZQTGAVBGZZEARU-CYBMUJFWSA-N 0 3 359.434 -0.042 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCc3nccn3C2)cn1 ZINC000682506968 484967894 /nfs/dbraw/zinc/96/78/94/484967894.db2.gz ZQTGAVBGZZEARU-ZDUSSCGKSA-N 0 3 359.434 -0.042 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCC2CS(=O)(=O)C2)CC1=O ZINC000682560564 484969967 /nfs/dbraw/zinc/96/99/67/484969967.db2.gz GWLZSYBILZREKE-CABCVRRESA-N 0 3 371.503 -0.130 20 0 FBADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCC2CS(=O)(=O)C2)CC1=O ZINC000682560565 484969404 /nfs/dbraw/zinc/96/94/04/484969404.db2.gz GWLZSYBILZREKE-GJZGRUSLSA-N 0 3 371.503 -0.130 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC2CS(=O)(=O)C2)CC1=O ZINC000682560566 484969808 /nfs/dbraw/zinc/96/98/08/484969808.db2.gz GWLZSYBILZREKE-HUUCEWRRSA-N 0 3 371.503 -0.130 20 0 FBADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC2CS(=O)(=O)C2)CC1=O ZINC000682560567 484969525 /nfs/dbraw/zinc/96/95/25/484969525.db2.gz GWLZSYBILZREKE-LSDHHAIUSA-N 0 3 371.503 -0.130 20 0 FBADHN CCN1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1=O ZINC000682595350 484970979 /nfs/dbraw/zinc/97/09/79/484970979.db2.gz NDYQEHUUTOTXLQ-UHFFFAOYSA-N 0 3 350.423 -0.536 20 0 FBADHN CN(C)CCOCCNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000682612617 484972068 /nfs/dbraw/zinc/97/20/68/484972068.db2.gz BMHYNRCQKCVTLX-BLLLJJGKSA-N 0 3 355.439 -0.416 20 0 FBADHN CN(C)CCOCCNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000682612618 484972325 /nfs/dbraw/zinc/97/23/25/484972325.db2.gz BMHYNRCQKCVTLX-LRDDRELGSA-N 0 3 355.439 -0.416 20 0 FBADHN CN(C)CCOCCNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000682612619 484972128 /nfs/dbraw/zinc/97/21/28/484972128.db2.gz BMHYNRCQKCVTLX-MLGOLLRUSA-N 0 3 355.439 -0.416 20 0 FBADHN CN(C)CCOCCNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000682612620 484972211 /nfs/dbraw/zinc/97/22/11/484972211.db2.gz BMHYNRCQKCVTLX-WBMJQRKESA-N 0 3 355.439 -0.416 20 0 FBADHN CN(C)CCOCCNC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000682613509 484972262 /nfs/dbraw/zinc/97/22/62/484972262.db2.gz IMUHKYFHESPDQY-UHFFFAOYSA-N 0 3 362.427 -0.150 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)NCCOCCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000682615057 484972471 /nfs/dbraw/zinc/97/24/71/484972471.db2.gz YJUNXBGKGJIJSN-GXTWGEPZSA-N 0 3 352.439 -0.209 20 0 FBADHN C[C@H]1C[C@H](NC(=O)NCCOCCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000682615058 484972040 /nfs/dbraw/zinc/97/20/40/484972040.db2.gz YJUNXBGKGJIJSN-JSGCOSHPSA-N 0 3 352.439 -0.209 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)NCCOCCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000682615059 484971770 /nfs/dbraw/zinc/97/17/70/484971770.db2.gz YJUNXBGKGJIJSN-OCCSQVGLSA-N 0 3 352.439 -0.209 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)NCCOCCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000682615060 484972078 /nfs/dbraw/zinc/97/20/78/484972078.db2.gz YJUNXBGKGJIJSN-TZMCWYRMSA-N 0 3 352.439 -0.209 20 0 FBADHN C[C@H]1C(=O)NCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000682632781 484972106 /nfs/dbraw/zinc/97/21/06/484972106.db2.gz UTEDVZLEFYKJHH-KBPBESRZSA-N 0 3 353.467 -0.151 20 0 FBADHN C[C@@H]1C(=O)NCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000682632783 484972460 /nfs/dbraw/zinc/97/24/60/484972460.db2.gz UTEDVZLEFYKJHH-KGLIPLIRSA-N 0 3 353.467 -0.151 20 0 FBADHN C[C@H]1C(=O)NCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000682632789 484971923 /nfs/dbraw/zinc/97/19/23/484971923.db2.gz UTEDVZLEFYKJHH-UONOGXRCSA-N 0 3 353.467 -0.151 20 0 FBADHN C[C@@H]1C(=O)NCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000682632792 484972299 /nfs/dbraw/zinc/97/22/99/484972299.db2.gz UTEDVZLEFYKJHH-ZIAGYGMSSA-N 0 3 353.467 -0.151 20 0 FBADHN CCCN1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1=O ZINC000682669956 484972306 /nfs/dbraw/zinc/97/23/06/484972306.db2.gz JHRZQXPCKXKASZ-UHFFFAOYSA-N 0 3 364.450 -0.146 20 0 FBADHN COc1nn(C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000682784982 484975179 /nfs/dbraw/zinc/97/51/79/484975179.db2.gz WUZNCTVORIZUJQ-CYBMUJFWSA-N 0 3 364.450 -0.394 20 0 FBADHN COc1nn(C)cc1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000682784983 484975108 /nfs/dbraw/zinc/97/51/08/484975108.db2.gz WUZNCTVORIZUJQ-ZDUSSCGKSA-N 0 3 364.450 -0.394 20 0 FBADHN COCn1nccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000682833824 484974699 /nfs/dbraw/zinc/97/46/99/484974699.db2.gz KFCQSSXWLFHFOC-UHFFFAOYSA-N 0 3 371.463 -0.584 20 0 FBADHN CC[C@@]1(NCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCOC1 ZINC000683042700 484978840 /nfs/dbraw/zinc/97/88/40/484978840.db2.gz 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484981456 /nfs/dbraw/zinc/98/14/56/484981456.db2.gz WBBJPHWCPYDCHW-UHFFFAOYSA-N 0 3 365.500 -0.771 20 0 FBADHN CC(C)NS(=O)(=O)NCCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000683232569 484981260 /nfs/dbraw/zinc/98/12/60/484981260.db2.gz VMJMQRRGDOAATB-UHFFFAOYSA-N 0 3 361.472 -0.601 20 0 FBADHN Cc1c([C@@H]2[C@@H](C(=O)NCC3(O)CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683325568 484982125 /nfs/dbraw/zinc/98/21/25/484982125.db2.gz QSBSWHQNOMBXTE-BBRMVZONSA-N 0 3 363.462 -0.179 20 0 FBADHN Cc1c([C@@H]2[C@H](C(=O)NCC3(O)CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683325571 484982495 /nfs/dbraw/zinc/98/24/95/484982495.db2.gz QSBSWHQNOMBXTE-CJNGLKHVSA-N 0 3 363.462 -0.179 20 0 FBADHN Cc1c([C@H]2[C@H](C(=O)NCC3(O)CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683325575 484982416 /nfs/dbraw/zinc/98/24/16/484982416.db2.gz QSBSWHQNOMBXTE-CZUORRHYSA-N 0 3 363.462 -0.179 20 0 FBADHN Cc1c([C@H]2[C@@H](C(=O)NCC3(O)CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683325578 484982573 /nfs/dbraw/zinc/98/25/73/484982573.db2.gz QSBSWHQNOMBXTE-XJKSGUPXSA-N 0 3 363.462 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/nfs/dbraw/zinc/98/36/80/484983680.db2.gz IZKWVROVRGZLHD-MRXNPFEDSA-N 0 3 369.510 -0.097 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)CCCO1 ZINC000683378512 484983774 /nfs/dbraw/zinc/98/37/74/484983774.db2.gz NLZIQPMTIHWARZ-CXAGYDPISA-N 0 3 367.450 -0.177 20 0 FBADHN C[C@@H]1CN(CCCNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)CCCO1 ZINC000683378514 484983581 /nfs/dbraw/zinc/98/35/81/484983581.db2.gz NLZIQPMTIHWARZ-DYVFJYSZSA-N 0 3 367.450 -0.177 20 0 FBADHN C[C@H]1CN(CCCNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)CCCO1 ZINC000683378516 484983622 /nfs/dbraw/zinc/98/36/22/484983622.db2.gz NLZIQPMTIHWARZ-GUYCJALGSA-N 0 3 367.450 -0.177 20 0 FBADHN C[C@H]1CN(CCCNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)CCCO1 ZINC000683378518 484983488 /nfs/dbraw/zinc/98/34/88/484983488.db2.gz NLZIQPMTIHWARZ-SUMWQHHRSA-N 0 3 367.450 -0.177 20 0 FBADHN C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCCO1 ZINC000683379127 484983712 /nfs/dbraw/zinc/98/37/12/484983712.db2.gz VBTKDMGRTALMQD-CHWSQXEVSA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCCO1 ZINC000683379127 484983711 /nfs/dbraw/zinc/98/37/11/484983711.db2.gz VBTKDMGRTALMQD-CHWSQXEVSA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCCO1 ZINC000683379128 484983389 /nfs/dbraw/zinc/98/33/89/484983389.db2.gz VBTKDMGRTALMQD-OLZOCXBDSA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCCO1 ZINC000683379128 484983380 /nfs/dbraw/zinc/98/33/80/484983380.db2.gz VBTKDMGRTALMQD-OLZOCXBDSA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCCO1 ZINC000683379129 484983668 /nfs/dbraw/zinc/98/36/68/484983668.db2.gz VBTKDMGRTALMQD-QWHCGFSZSA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCCO1 ZINC000683379129 484983665 /nfs/dbraw/zinc/98/36/65/484983665.db2.gz VBTKDMGRTALMQD-QWHCGFSZSA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCCO1 ZINC000683379130 484983604 /nfs/dbraw/zinc/98/36/04/484983604.db2.gz VBTKDMGRTALMQD-STQMWFEESA-N 0 3 353.423 -0.567 20 0 FBADHN C[C@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCCO1 ZINC000683379130 484983601 /nfs/dbraw/zinc/98/36/01/484983601.db2.gz VBTKDMGRTALMQD-STQMWFEESA-N 0 3 353.423 -0.567 20 0 FBADHN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000683379435 484983637 /nfs/dbraw/zinc/98/36/37/484983637.db2.gz PLZONBNLNYFVPV-FGTMMUONSA-N 0 3 361.442 -0.149 20 0 FBADHN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000683379436 484983811 /nfs/dbraw/zinc/98/38/11/484983811.db2.gz PLZONBNLNYFVPV-OKZBNKHCSA-N 0 3 361.442 -0.149 20 0 FBADHN CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000683381964 484983851 /nfs/dbraw/zinc/98/38/51/484983851.db2.gz VFKGSTBOKFNFCL-AWEZNQCLSA-N 0 3 355.439 -0.373 20 0 FBADHN CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000683381965 484983422 /nfs/dbraw/zinc/98/34/22/484983422.db2.gz VFKGSTBOKFNFCL-CQSZACIVSA-N 0 3 355.439 -0.373 20 0 FBADHN CN(C)c1nc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc(=O)[n-]1 ZINC000683406759 484985125 /nfs/dbraw/zinc/98/51/25/484985125.db2.gz JMEHBKGGEFUCQZ-CYBMUJFWSA-N 0 3 362.434 -0.198 20 0 FBADHN CN(C)c1nc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc(=O)[n-]1 ZINC000683406759 484985119 /nfs/dbraw/zinc/98/51/19/484985119.db2.gz JMEHBKGGEFUCQZ-CYBMUJFWSA-N 0 3 362.434 -0.198 20 0 FBADHN CN(C)c1nc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc(=O)[n-]1 ZINC000683406760 484984883 /nfs/dbraw/zinc/98/48/83/484984883.db2.gz JMEHBKGGEFUCQZ-ZDUSSCGKSA-N 0 3 362.434 -0.198 20 0 FBADHN CN(C)c1nc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc(=O)[n-]1 ZINC000683406760 484984880 /nfs/dbraw/zinc/98/48/80/484984880.db2.gz JMEHBKGGEFUCQZ-ZDUSSCGKSA-N 0 3 362.434 -0.198 20 0 FBADHN CN(C)c1nc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc(=O)[nH]1 ZINC000683409632 484985357 /nfs/dbraw/zinc/98/53/57/484985357.db2.gz WAOGTEUUBGKLPY-CYBMUJFWSA-N 0 3 364.450 -0.616 20 0 FBADHN CN(C)c1nc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc(=O)[nH]1 ZINC000683409633 484985062 /nfs/dbraw/zinc/98/50/62/484985062.db2.gz WAOGTEUUBGKLPY-ZDUSSCGKSA-N 0 3 364.450 -0.616 20 0 FBADHN CN(C)CCn1cc(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)cn1 ZINC000683431004 484984621 /nfs/dbraw/zinc/98/46/21/484984621.db2.gz HSCSHGYMNQTEOA-UHFFFAOYSA-N 0 3 364.450 -0.636 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cn2)CC1 ZINC000683648852 484988788 /nfs/dbraw/zinc/98/87/88/484988788.db2.gz DOJUKUVPWSDMPB-UHFFFAOYSA-N 0 3 363.393 -0.074 20 0 FBADHN CN1CCC2(CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1=O ZINC000683675941 484989109 /nfs/dbraw/zinc/98/91/09/484989109.db2.gz VBFSJVXTMBASIQ-UHFFFAOYSA-N 0 3 374.445 -0.622 20 0 FBADHN COC1(CO)CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000683676764 484988504 /nfs/dbraw/zinc/98/85/04/484988504.db2.gz CDAHPGYMXFXHOA-UHFFFAOYSA-N 0 3 363.462 -0.011 20 0 FBADHN COC1(CO)CCN(CCOCCN2CCC(CO)(OC)CC2)CC1 ZINC000683677175 484988579 /nfs/dbraw/zinc/98/85/79/484988579.db2.gz LEITVKSZRRCXNI-UHFFFAOYSA-N 0 3 360.495 -0.050 20 0 FBADHN CCOC1CC(O)(CNC(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000683679624 484989324 /nfs/dbraw/zinc/98/93/24/484989324.db2.gz JPWBYXGLVNKEJB-UHFFFAOYSA-N 0 3 353.423 -0.571 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000683698387 484990408 /nfs/dbraw/zinc/99/04/08/484990408.db2.gz SHLCCHRZFUPHBX-CYBMUJFWSA-N 0 3 353.510 -0.328 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000683698388 484990599 /nfs/dbraw/zinc/99/05/99/484990599.db2.gz SHLCCHRZFUPHBX-ZDUSSCGKSA-N 0 3 353.510 -0.328 20 0 FBADHN C[C@@H]1CN(C2CCOCC2)CCN1CCNS(=O)(=O)c1cnn(C)c1 ZINC000683792394 484991445 /nfs/dbraw/zinc/99/14/45/484991445.db2.gz XHBQWXGXWVQKKJ-CQSZACIVSA-N 0 3 371.507 -0.117 20 0 FBADHN C[NH+]1CCC(n2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)n2)CC1 ZINC000683814095 484991625 /nfs/dbraw/zinc/99/16/25/484991625.db2.gz JFXHCYYXMOSNFX-GFCCVEGCSA-N 0 3 361.406 -0.082 20 0 FBADHN C[NH+]1CCC(n2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)n2)CC1 ZINC000683814096 484991641 /nfs/dbraw/zinc/99/16/41/484991641.db2.gz JFXHCYYXMOSNFX-LBPRGKRZSA-N 0 3 361.406 -0.082 20 0 FBADHN O=C(NC[C@@H](CO)NC(=O)[C@H]1CCCN1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683871204 484993445 /nfs/dbraw/zinc/99/34/45/484993445.db2.gz UIKVDWWNWDFVCC-IAOVAPTHSA-N 0 3 364.490 -0.167 20 0 FBADHN O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CC1)[C@@H]1CCCN1C1CC1 ZINC000683871205 484993183 /nfs/dbraw/zinc/99/31/83/484993183.db2.gz UIKVDWWNWDFVCC-JQFCIGGWSA-N 0 3 364.490 -0.167 20 0 FBADHN O=C(N[C@H](CO)CNC(=O)[C@@H]1CCCN1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683871206 484992603 /nfs/dbraw/zinc/99/26/03/484992603.db2.gz UIKVDWWNWDFVCC-RRQGHBQHSA-N 0 3 364.490 -0.167 20 0 FBADHN O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683871207 484993369 /nfs/dbraw/zinc/99/33/69/484993369.db2.gz UIKVDWWNWDFVCC-XKQJLSEDSA-N 0 3 364.490 -0.167 20 0 FBADHN COCCN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@H]1CCOC1 ZINC000683881525 484993256 /nfs/dbraw/zinc/99/32/56/484993256.db2.gz WVMGSLWESDDMMB-AWEZNQCLSA-N 0 3 353.423 -0.353 20 0 FBADHN COCCN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CCOC1 ZINC000683881527 484992901 /nfs/dbraw/zinc/99/29/01/484992901.db2.gz WVMGSLWESDDMMB-CQSZACIVSA-N 0 3 353.423 -0.353 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000683909980 484993124 /nfs/dbraw/zinc/99/31/24/484993124.db2.gz PMUAZSAAKSKQTQ-DLBZAZTESA-N 0 3 352.435 -0.378 20 0 FBADHN CN(C)C[C@]1(O)CCCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000683909983 484992767 /nfs/dbraw/zinc/99/27/67/484992767.db2.gz PMUAZSAAKSKQTQ-IAGOWNOFSA-N 0 3 352.435 -0.378 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000683909985 484993311 /nfs/dbraw/zinc/99/33/11/484993311.db2.gz PMUAZSAAKSKQTQ-IRXDYDNUSA-N 0 3 352.435 -0.378 20 0 FBADHN CN(C)C[C@@]1(O)CCCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000683909988 484992704 /nfs/dbraw/zinc/99/27/04/484992704.db2.gz PMUAZSAAKSKQTQ-SJORKVTESA-N 0 3 352.435 -0.378 20 0 FBADHN CC(C)[C@H](C(=O)N1CCC[C@@](O)(CN(C)C)C1)N1CCCS1(=O)=O ZINC000683913803 484994416 /nfs/dbraw/zinc/99/44/16/484994416.db2.gz QUSDJAGKDSZZTA-GDBMZVCRSA-N 0 3 361.508 -0.038 20 0 FBADHN CC(C)[C@@H](C(=O)N1CCC[C@@](O)(CN(C)C)C1)N1CCCS1(=O)=O ZINC000683913804 484993916 /nfs/dbraw/zinc/99/39/16/484993916.db2.gz QUSDJAGKDSZZTA-GOEBONIOSA-N 0 3 361.508 -0.038 20 0 FBADHN CC(C)[C@@H](C(=O)N1CCC[C@](O)(CN(C)C)C1)N1CCCS1(=O)=O ZINC000683913805 484993959 /nfs/dbraw/zinc/99/39/59/484993959.db2.gz QUSDJAGKDSZZTA-HOCLYGCPSA-N 0 3 361.508 -0.038 20 0 FBADHN CC(C)[C@H](C(=O)N1CCC[C@](O)(CN(C)C)C1)N1CCCS1(=O)=O ZINC000683913808 484994116 /nfs/dbraw/zinc/99/41/16/484994116.db2.gz QUSDJAGKDSZZTA-ZBFHGGJFSA-N 0 3 361.508 -0.038 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC(=O)N1 ZINC000683981360 484995636 /nfs/dbraw/zinc/99/56/36/484995636.db2.gz HDTWMEPGDWITGT-KBPBESRZSA-N 0 3 353.467 -0.103 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC(=O)N1 ZINC000683981366 484995466 /nfs/dbraw/zinc/99/54/66/484995466.db2.gz HDTWMEPGDWITGT-KGLIPLIRSA-N 0 3 353.467 -0.103 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC(=O)N1 ZINC000683981368 484995007 /nfs/dbraw/zinc/99/50/07/484995007.db2.gz HDTWMEPGDWITGT-UONOGXRCSA-N 0 3 353.467 -0.103 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC(=O)N1 ZINC000683981369 484996716 /nfs/dbraw/zinc/99/67/16/484996716.db2.gz HDTWMEPGDWITGT-ZIAGYGMSSA-N 0 3 353.467 -0.103 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@H]2CCCC(=O)N2)CC1 ZINC000683983784 484996801 /nfs/dbraw/zinc/99/68/01/484996801.db2.gz QERJWTJVKIRSKV-AWEZNQCLSA-N 0 3 353.467 -0.103 20 0 FBADHN CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CCCC(=O)N2)CC1 ZINC000683983786 484996502 /nfs/dbraw/zinc/99/65/02/484996502.db2.gz QERJWTJVKIRSKV-CQSZACIVSA-N 0 3 353.467 -0.103 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CCCC(=O)N2)CC1 ZINC000683998090 484996347 /nfs/dbraw/zinc/99/63/47/484996347.db2.gz BAWZHNFGBIVQQK-AWEZNQCLSA-N 0 3 351.451 -0.395 20 0 FBADHN O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CCCC(=O)N2)CC1 ZINC000683998092 484997287 /nfs/dbraw/zinc/99/72/87/484997287.db2.gz BAWZHNFGBIVQQK-CQSZACIVSA-N 0 3 351.451 -0.395 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC(=O)N2)CC1 ZINC000683998380 484997211 /nfs/dbraw/zinc/99/72/11/484997211.db2.gz RCRUWVPIFDIHIP-KBPBESRZSA-N 0 3 351.451 -0.397 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC(=O)N2)CC1 ZINC000683998385 484996971 /nfs/dbraw/zinc/99/69/71/484996971.db2.gz RCRUWVPIFDIHIP-KGLIPLIRSA-N 0 3 351.451 -0.397 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC(=O)N2)CC1 ZINC000683998386 484997243 /nfs/dbraw/zinc/99/72/43/484997243.db2.gz RCRUWVPIFDIHIP-UONOGXRCSA-N 0 3 351.451 -0.397 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC(=O)N2)CC1 ZINC000683998387 484996440 /nfs/dbraw/zinc/99/64/40/484996440.db2.gz RCRUWVPIFDIHIP-ZIAGYGMSSA-N 0 3 351.451 -0.397 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC(=O)N2)CC1 ZINC000684006291 484997854 /nfs/dbraw/zinc/99/78/54/484997854.db2.gz QIIPPNSMYJWVDS-AWEZNQCLSA-N 0 3 353.467 -0.149 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC(=O)N2)CC1 ZINC000684006294 484998284 /nfs/dbraw/zinc/99/82/84/484998284.db2.gz QIIPPNSMYJWVDS-CQSZACIVSA-N 0 3 353.467 -0.149 20 0 FBADHN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000684029692 484998432 /nfs/dbraw/zinc/99/84/32/484998432.db2.gz PNBFEQFMVNNFFY-AWEZNQCLSA-N 0 3 366.466 -0.438 20 0 FBADHN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000684029693 484998215 /nfs/dbraw/zinc/99/82/15/484998215.db2.gz PNBFEQFMVNNFFY-CQSZACIVSA-N 0 3 366.466 -0.438 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(C)(C)C2)cn1 ZINC000684030708 484998347 /nfs/dbraw/zinc/99/83/47/484998347.db2.gz IKZQTIKKRWCYTQ-UHFFFAOYSA-N 0 3 350.423 -0.632 20 0 FBADHN COC[C@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CCCO1 ZINC000684033157 484998125 /nfs/dbraw/zinc/99/81/25/484998125.db2.gz QYFMQSXQWKUXTN-KBPBESRZSA-N 0 3 353.423 -0.307 20 0 FBADHN COC[C@@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CCCO1 ZINC000684033158 484998521 /nfs/dbraw/zinc/99/85/21/484998521.db2.gz QYFMQSXQWKUXTN-KGLIPLIRSA-N 0 3 353.423 -0.307 20 0 FBADHN COC[C@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@H]1CCCO1 ZINC000684033159 484997831 /nfs/dbraw/zinc/99/78/31/484997831.db2.gz QYFMQSXQWKUXTN-UONOGXRCSA-N 0 3 353.423 -0.307 20 0 FBADHN COC[C@@H](NC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@H]1CCCO1 ZINC000684033160 484997939 /nfs/dbraw/zinc/99/79/39/484997939.db2.gz QYFMQSXQWKUXTN-ZIAGYGMSSA-N 0 3 353.423 -0.307 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)[C@@](C)(O)Cn3ccccc3=O)CC2)C1 ZINC000684137164 485000422 /nfs/dbraw/zinc/00/04/22/485000422.db2.gz YXHMFFHLNXAXGF-APWZRJJASA-N 0 3 362.474 -0.162 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@@](C)(O)Cn3ccccc3=O)CC2)C1 ZINC000684137165 485000583 /nfs/dbraw/zinc/00/05/83/485000583.db2.gz YXHMFFHLNXAXGF-LPHOPBHVSA-N 0 3 362.474 -0.162 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)[C@](C)(O)Cn3ccccc3=O)CC2)C1 ZINC000684137166 485001104 /nfs/dbraw/zinc/00/11/04/485001104.db2.gz YXHMFFHLNXAXGF-QFBILLFUSA-N 0 3 362.474 -0.162 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)[C@](C)(O)Cn3ccccc3=O)CC2)C1 ZINC000684137167 485000455 /nfs/dbraw/zinc/00/04/55/485000455.db2.gz YXHMFFHLNXAXGF-VQIMIIECSA-N 0 3 362.474 -0.162 20 0 FBADHN C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000684174909 485001726 /nfs/dbraw/zinc/00/17/26/485001726.db2.gz NTWKYEAMYTVSOG-AWEZNQCLSA-N 0 3 361.489 -0.059 20 0 FBADHN C[NH+](C)C[C@]1(O)CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000684174910 485002035 /nfs/dbraw/zinc/00/20/35/485002035.db2.gz NTWKYEAMYTVSOG-CQSZACIVSA-N 0 3 361.489 -0.059 20 0 FBADHN CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@](O)(CN(C)C)C2)CC1 ZINC000684176682 485003397 /nfs/dbraw/zinc/00/33/97/485003397.db2.gz WSGJKGWUGMHLIR-INIZCTEOSA-N 0 3 361.508 -0.037 20 0 FBADHN CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@](O)(CN(C)C)C2)CC1 ZINC000684176683 485002839 /nfs/dbraw/zinc/00/28/39/485002839.db2.gz WSGJKGWUGMHLIR-MRXNPFEDSA-N 0 3 361.508 -0.037 20 0 FBADHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000684302819 485004544 /nfs/dbraw/zinc/00/45/44/485004544.db2.gz LFXAGNIHLWJWAM-ULQDDVLXSA-N 0 3 364.469 -0.161 20 0 FBADHN Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CN3CCN2CCC3)cn1 ZINC000684302820 485004601 /nfs/dbraw/zinc/00/46/01/485004601.db2.gz LFXAGNIHLWJWAM-YESZJQIVSA-N 0 3 364.469 -0.161 20 0 FBADHN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000684303789 485004997 /nfs/dbraw/zinc/00/49/97/485004997.db2.gz LNSRLWSTYJVGEZ-HRCADAONSA-N 0 3 364.469 -0.161 20 0 FBADHN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000684303790 485004654 /nfs/dbraw/zinc/00/46/54/485004654.db2.gz LNSRLWSTYJVGEZ-JYJNAYRXSA-N 0 3 364.469 -0.161 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(C)(F)C2)cn1 ZINC000684306086 485004163 /nfs/dbraw/zinc/00/41/63/485004163.db2.gz WYAKPESCWXICOC-UHFFFAOYSA-N 0 3 354.386 -0.930 20 0 FBADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)CCO2 ZINC000684307037 485004816 /nfs/dbraw/zinc/00/48/16/485004816.db2.gz JVLJUFOBSOUPRY-CXAGYDPISA-N 0 3 365.434 -0.210 20 0 FBADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)CCO2 ZINC000684307040 485004807 /nfs/dbraw/zinc/00/48/07/485004807.db2.gz JVLJUFOBSOUPRY-DYVFJYSZSA-N 0 3 365.434 -0.210 20 0 FBADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)CCO2 ZINC000684307042 485004776 /nfs/dbraw/zinc/00/47/76/485004776.db2.gz JVLJUFOBSOUPRY-GUYCJALGSA-N 0 3 365.434 -0.210 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)CCO2 ZINC000684307044 485004926 /nfs/dbraw/zinc/00/49/26/485004926.db2.gz JVLJUFOBSOUPRY-SUMWQHHRSA-N 0 3 365.434 -0.210 20 0 FBADHN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CN3CCN2CCC3)no1 ZINC000684308191 485004515 /nfs/dbraw/zinc/00/45/15/485004515.db2.gz XKUATIREHHKUIU-KKUMJFAQSA-N 0 3 366.441 -0.203 20 0 FBADHN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CN3CCN2CCC3)no1 ZINC000684308192 485004622 /nfs/dbraw/zinc/00/46/22/485004622.db2.gz XKUATIREHHKUIU-SOUVJXGZSA-N 0 3 366.441 -0.203 20 0 FBADHN CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC(C)(C)C(F)F)cn1 ZINC000684310846 485004096 /nfs/dbraw/zinc/00/40/96/485004096.db2.gz DYGYWJXMVZSOER-UHFFFAOYSA-N 0 3 374.392 -0.341 20 0 FBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN1CCCC1 ZINC000684364513 485005782 /nfs/dbraw/zinc/00/57/82/485005782.db2.gz CCUQGHVQMCAYDF-INIZCTEOSA-N 0 3 352.435 -0.186 20 0 FBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCN1CCCC1 ZINC000684364514 485005937 /nfs/dbraw/zinc/00/59/37/485005937.db2.gz CCUQGHVQMCAYDF-MRXNPFEDSA-N 0 3 352.435 -0.186 20 0 FBADHN COc1cnccc1N1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000684403978 485005990 /nfs/dbraw/zinc/00/59/90/485005990.db2.gz MAQGPVVEVALNOF-UHFFFAOYSA-N 0 3 362.434 -0.646 20 0 FBADHN COc1cc(CNC[C@@](C)(O)CO)ccc1OCC(=O)N1CCOCC1 ZINC000684539331 485009859 /nfs/dbraw/zinc/00/98/59/485009859.db2.gz YGEQWFBDRJNKME-GOSISDBHSA-N 0 3 368.430 -0.234 20 0 FBADHN COc1cc(CNC[C@](C)(O)CO)ccc1OCC(=O)N1CCOCC1 ZINC000684539332 485009879 /nfs/dbraw/zinc/00/98/79/485009879.db2.gz YGEQWFBDRJNKME-SFHVURJKSA-N 0 3 368.430 -0.234 20 0 FBADHN COCn1nccc1S(=O)(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000684577229 485009417 /nfs/dbraw/zinc/00/94/17/485009417.db2.gz NMHXPIYKOKMJTH-AWEZNQCLSA-N 0 3 357.480 -0.113 20 0 FBADHN COCn1nccc1S(=O)(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000684577230 485009283 /nfs/dbraw/zinc/00/92/83/485009283.db2.gz NMHXPIYKOKMJTH-CQSZACIVSA-N 0 3 357.480 -0.113 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCNC(=O)C[C@H]1C ZINC000684579433 485010894 /nfs/dbraw/zinc/01/08/94/485010894.db2.gz LCEGJVBTDKVRBJ-LLVKDONJSA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCNC(=O)C[C@@H]1C ZINC000684579434 485010672 /nfs/dbraw/zinc/01/06/72/485010672.db2.gz LCEGJVBTDKVRBJ-NSHDSACASA-N 0 3 357.480 -0.039 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCc1nnnn1C1CC1 ZINC000684582526 485010492 /nfs/dbraw/zinc/01/04/92/485010492.db2.gz XPGGLLZCKMSJEF-UHFFFAOYSA-N 0 3 368.467 -0.139 20 0 FBADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCc1nnnn1C ZINC000684586211 485010788 /nfs/dbraw/zinc/01/07/88/485010788.db2.gz KZYWYSVLQATSIL-UHFFFAOYSA-N 0 3 356.456 -0.894 20 0 FBADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000684670896 485012324 /nfs/dbraw/zinc/01/23/24/485012324.db2.gz YOEGFYBMSZHWHU-INIZCTEOSA-N 0 3 350.423 -0.632 20 0 FBADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000684670897 485012275 /nfs/dbraw/zinc/01/22/75/485012275.db2.gz YOEGFYBMSZHWHU-MRXNPFEDSA-N 0 3 350.423 -0.632 20 0 FBADHN COCCN1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC1 ZINC000684831843 485014180 /nfs/dbraw/zinc/01/41/80/485014180.db2.gz LINFEMTYDBXVPS-AWEZNQCLSA-N 0 3 356.467 -0.380 20 0 FBADHN COCCN1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC1 ZINC000684831845 485014135 /nfs/dbraw/zinc/01/41/35/485014135.db2.gz LINFEMTYDBXVPS-CQSZACIVSA-N 0 3 356.467 -0.380 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCn3c(nnc3C(F)F)C2)CC1=O ZINC000684849935 485016076 /nfs/dbraw/zinc/01/60/76/485016076.db2.gz WYDFOJVEHDKLGS-JTQLQIEISA-N 0 3 356.377 -0.032 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCn3c(nnc3C(F)F)C2)CC1=O ZINC000684849936 485015483 /nfs/dbraw/zinc/01/54/83/485015483.db2.gz WYDFOJVEHDKLGS-SNVBAGLBSA-N 0 3 356.377 -0.032 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)CC1=O ZINC000684853329 485015353 /nfs/dbraw/zinc/01/53/53/485015353.db2.gz TYNLHEWTXWDXFR-CYBMUJFWSA-N 0 3 363.466 -0.656 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)CC1=O ZINC000684853334 485015839 /nfs/dbraw/zinc/01/58/39/485015839.db2.gz TYNLHEWTXWDXFR-ZDUSSCGKSA-N 0 3 363.466 -0.656 20 0 FBADHN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000684873679 485016870 /nfs/dbraw/zinc/01/68/70/485016870.db2.gz CHCPXKWFCTXHJZ-HNNXBMFYSA-N 0 3 369.510 -0.511 20 0 FBADHN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000684873680 485016663 /nfs/dbraw/zinc/01/66/63/485016663.db2.gz CHCPXKWFCTXHJZ-OAHLLOKOSA-N 0 3 369.510 -0.511 20 0 FBADHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)C1 ZINC000684879635 485016578 /nfs/dbraw/zinc/01/65/78/485016578.db2.gz UOTBVEWFGPGXDH-CYBMUJFWSA-N 0 3 367.475 -0.419 20 0 FBADHN CN1CCC[C@H](N2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)C1 ZINC000684879638 485016827 /nfs/dbraw/zinc/01/68/27/485016827.db2.gz UOTBVEWFGPGXDH-ZDUSSCGKSA-N 0 3 367.475 -0.419 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)nc1 ZINC000684881201 485016732 /nfs/dbraw/zinc/01/67/32/485016732.db2.gz YDGUSYXCICQJQU-GFCCVEGCSA-N 0 3 354.432 -0.288 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)nc1 ZINC000684881202 485016813 /nfs/dbraw/zinc/01/68/13/485016813.db2.gz YDGUSYXCICQJQU-LBPRGKRZSA-N 0 3 354.432 -0.288 20 0 FBADHN CN(CCCNC(=O)NCCN1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC000685046013 485020308 /nfs/dbraw/zinc/02/03/08/485020308.db2.gz BSNYQKGALUOVEF-UHFFFAOYSA-N 0 3 363.528 -0.407 20 0 FBADHN CN1CCN(CCNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1(C)C ZINC000685049233 485020157 /nfs/dbraw/zinc/02/01/57/485020157.db2.gz UINFXAACRMEVBK-UHFFFAOYSA-N 0 3 363.528 -0.361 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000685055134 485020403 /nfs/dbraw/zinc/02/04/03/485020403.db2.gz ZQEWSNFKLYYTEO-AWEZNQCLSA-N 0 3 370.494 -0.166 20 0 FBADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000685055135 485020652 /nfs/dbraw/zinc/02/06/52/485020652.db2.gz ZQEWSNFKLYYTEO-CQSZACIVSA-N 0 3 370.494 -0.166 20 0 FBADHN COCCn1cc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)cn1 ZINC000685078963 485020725 /nfs/dbraw/zinc/02/07/25/485020725.db2.gz WZMNBNPXFLEIJS-UHFFFAOYSA-N 0 3 372.429 -0.111 20 0 FBADHN CN(C)c1nccc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000685094672 485021811 /nfs/dbraw/zinc/02/18/11/485021811.db2.gz HECGHXCULYHOIM-UHFFFAOYSA-N 0 3 369.429 -0.097 20 0 FBADHN CCN1C[C@@H](C)[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)C1 ZINC000685162068 485029262 /nfs/dbraw/zinc/02/92/62/485029262.db2.gz GVOVCRUJDLLKGG-OEAJRASXSA-N 0 3 363.462 -0.589 20 0 FBADHN CCN1C[C@H](C)[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)C1 ZINC000685162069 485029412 /nfs/dbraw/zinc/02/94/12/485029412.db2.gz GVOVCRUJDLLKGG-QCEMKRCNSA-N 0 3 363.462 -0.589 20 0 FBADHN CCN1C[C@@H](C)[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)C1 ZINC000685162070 485028353 /nfs/dbraw/zinc/02/83/53/485028353.db2.gz GVOVCRUJDLLKGG-SYAUCNOPSA-N 0 3 363.462 -0.589 20 0 FBADHN CCN1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)[C@@H](C)C1 ZINC000685162071 485029583 /nfs/dbraw/zinc/02/95/83/485029583.db2.gz GVOVCRUJDLLKGG-TUUVXOQKSA-N 0 3 363.462 -0.589 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164582 485031036 /nfs/dbraw/zinc/03/10/36/485031036.db2.gz JJVHOBZKOBDFLI-BXUZGUMPSA-N 0 3 362.434 -0.760 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164583 485030969 /nfs/dbraw/zinc/03/09/69/485030969.db2.gz JJVHOBZKOBDFLI-FZMZJTMJSA-N 0 3 362.434 -0.760 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164584 485031535 /nfs/dbraw/zinc/03/15/35/485031535.db2.gz JJVHOBZKOBDFLI-RISCZKNCSA-N 0 3 362.434 -0.760 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164585 485031184 /nfs/dbraw/zinc/03/11/84/485031184.db2.gz JJVHOBZKOBDFLI-SMDDNHRTSA-N 0 3 362.434 -0.760 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166769 485033287 /nfs/dbraw/zinc/03/32/87/485033287.db2.gz CREZTHYHEBHKOI-AAEUAGOBSA-N 0 3 350.423 -0.950 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166773 485032580 /nfs/dbraw/zinc/03/25/80/485032580.db2.gz CREZTHYHEBHKOI-DGCLKSJQSA-N 0 3 350.423 -0.950 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166774 485032992 /nfs/dbraw/zinc/03/29/92/485032992.db2.gz CREZTHYHEBHKOI-WCQYABFASA-N 0 3 350.423 -0.950 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166777 485032883 /nfs/dbraw/zinc/03/28/83/485032883.db2.gz CREZTHYHEBHKOI-YPMHNXCESA-N 0 3 350.423 -0.950 20 0 FBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685175850 485036662 /nfs/dbraw/zinc/03/66/62/485036662.db2.gz QIBNOMIVTIHQOY-BXUZGUMPSA-N 0 3 362.434 -0.760 20 0 FBADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685175851 485036834 /nfs/dbraw/zinc/03/68/34/485036834.db2.gz QIBNOMIVTIHQOY-FZMZJTMJSA-N 0 3 362.434 -0.760 20 0 FBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685175852 485036639 /nfs/dbraw/zinc/03/66/39/485036639.db2.gz QIBNOMIVTIHQOY-RISCZKNCSA-N 0 3 362.434 -0.760 20 0 FBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685175853 485036520 /nfs/dbraw/zinc/03/65/20/485036520.db2.gz QIBNOMIVTIHQOY-SMDDNHRTSA-N 0 3 362.434 -0.760 20 0 FBADHN Cn1ccc(CCNC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)n1 ZINC000685193770 485037963 /nfs/dbraw/zinc/03/79/63/485037963.db2.gz BKSOQWUSPQJVRK-INIZCTEOSA-N 0 3 362.478 -0.683 20 0 FBADHN Cn1ccc(CCNC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)n1 ZINC000685193771 485037776 /nfs/dbraw/zinc/03/77/76/485037776.db2.gz BKSOQWUSPQJVRK-MRXNPFEDSA-N 0 3 362.478 -0.683 20 0 FBADHN C[C@@H](C(=O)NCCCN(C)CCN(C)C)S(=O)(=O)C1CCOCC1 ZINC000685199906 485037904 /nfs/dbraw/zinc/03/79/04/485037904.db2.gz LJZJVUWAKLIUEO-AWEZNQCLSA-N 0 3 363.524 -0.032 20 0 FBADHN C[C@H](C(=O)NCCCN(C)CCN(C)C)S(=O)(=O)C1CCOCC1 ZINC000685199907 485037829 /nfs/dbraw/zinc/03/78/29/485037829.db2.gz LJZJVUWAKLIUEO-CQSZACIVSA-N 0 3 363.524 -0.032 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000685215117 485037437 /nfs/dbraw/zinc/03/74/37/485037437.db2.gz LTWQNKRGEZRDKN-CABCVRRESA-N 0 3 359.430 -0.239 20 0 FBADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000685215118 485037921 /nfs/dbraw/zinc/03/79/21/485037921.db2.gz LTWQNKRGEZRDKN-GJZGRUSLSA-N 0 3 359.430 -0.239 20 0 FBADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000685215119 485038023 /nfs/dbraw/zinc/03/80/23/485038023.db2.gz LTWQNKRGEZRDKN-HUUCEWRRSA-N 0 3 359.430 -0.239 20 0 FBADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000685215120 485037710 /nfs/dbraw/zinc/03/77/10/485037710.db2.gz LTWQNKRGEZRDKN-LSDHHAIUSA-N 0 3 359.430 -0.239 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000685302206 485039018 /nfs/dbraw/zinc/03/90/18/485039018.db2.gz TVGFXJVIILDGEU-DJIMGWMZSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000685302208 485038783 /nfs/dbraw/zinc/03/87/83/485038783.db2.gz TVGFXJVIILDGEU-HYVNUMGLSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000685302209 485039564 /nfs/dbraw/zinc/03/95/64/485039564.db2.gz TVGFXJVIILDGEU-OIISXLGYSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000685302210 485041238 /nfs/dbraw/zinc/04/12/38/485041238.db2.gz TVGFXJVIILDGEU-PVAVHDDUSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000685303999 485041035 /nfs/dbraw/zinc/04/10/35/485041035.db2.gz JXGXBOFRBQPLHY-DJIMGWMZSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000685304000 485041325 /nfs/dbraw/zinc/04/13/25/485041325.db2.gz JXGXBOFRBQPLHY-HYVNUMGLSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000685304004 485040768 /nfs/dbraw/zinc/04/07/68/485040768.db2.gz JXGXBOFRBQPLHY-OIISXLGYSA-N 0 3 364.490 -0.092 20 0 FBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000685304005 485041207 /nfs/dbraw/zinc/04/12/07/485041207.db2.gz JXGXBOFRBQPLHY-PVAVHDDUSA-N 0 3 364.490 -0.092 20 0 FBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CCN(C)C)C(C)C)CC2 ZINC000685314199 485040852 /nfs/dbraw/zinc/04/08/52/485040852.db2.gz TUQBROQYGKHADK-CYBMUJFWSA-N 0 3 366.466 -0.346 20 0 FBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CCN(C)C)C(C)C)CC2 ZINC000685314200 485041185 /nfs/dbraw/zinc/04/11/85/485041185.db2.gz TUQBROQYGKHADK-ZDUSSCGKSA-N 0 3 366.466 -0.346 20 0 FBADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328176 485041009 /nfs/dbraw/zinc/04/10/09/485041009.db2.gz LBFZTHCBSSMUMQ-BETUJISGSA-N 0 3 374.507 -0.627 20 0 FBADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328177 485041377 /nfs/dbraw/zinc/04/13/77/485041377.db2.gz LBFZTHCBSSMUMQ-CHWSQXEVSA-N 0 3 374.507 -0.627 20 0 FBADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328178 485041405 /nfs/dbraw/zinc/04/14/05/485041405.db2.gz LBFZTHCBSSMUMQ-STQMWFEESA-N 0 3 374.507 -0.627 20 0 FBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328416 485040989 /nfs/dbraw/zinc/04/09/89/485040989.db2.gz GOQHKNBCQADSSN-UHFFFAOYSA-N 0 3 362.496 -0.960 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC000685329059 485042141 /nfs/dbraw/zinc/04/21/41/485042141.db2.gz JQBOGZDQONHJGP-CHWSQXEVSA-N 0 3 374.507 -0.769 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC000685329060 485042246 /nfs/dbraw/zinc/04/22/46/485042246.db2.gz JQBOGZDQONHJGP-OLZOCXBDSA-N 0 3 374.507 -0.769 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)N1CCC[C@H](C)C1 ZINC000685329061 485042126 /nfs/dbraw/zinc/04/21/26/485042126.db2.gz JQBOGZDQONHJGP-QWHCGFSZSA-N 0 3 374.507 -0.769 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)N1CCC[C@H](C)C1 ZINC000685329062 485041991 /nfs/dbraw/zinc/04/19/91/485041991.db2.gz JQBOGZDQONHJGP-STQMWFEESA-N 0 3 374.507 -0.769 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000685329147 485042263 /nfs/dbraw/zinc/04/22/63/485042263.db2.gz AXEIEGZVPDLGAC-AWEZNQCLSA-N 0 3 372.491 -0.919 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000685329153 485041948 /nfs/dbraw/zinc/04/19/48/485041948.db2.gz AXEIEGZVPDLGAC-CQSZACIVSA-N 0 3 372.491 -0.919 20 0 FBADHN CC(C)(C)N1CCCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000685329329 485042196 /nfs/dbraw/zinc/04/21/96/485042196.db2.gz IRTHMMMVYKPNBQ-UHFFFAOYSA-N 0 3 374.507 -0.673 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000685329590 485042654 /nfs/dbraw/zinc/04/26/54/485042654.db2.gz XFTVZGBIXTZQCA-AWEZNQCLSA-N 0 3 372.491 -0.919 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000685329591 485041876 /nfs/dbraw/zinc/04/18/76/485041876.db2.gz XFTVZGBIXTZQCA-CQSZACIVSA-N 0 3 372.491 -0.919 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329646 485042520 /nfs/dbraw/zinc/04/25/20/485042520.db2.gz ZYRVBKPEQGNJCM-CYBMUJFWSA-N 0 3 374.507 -0.769 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329648 485042405 /nfs/dbraw/zinc/04/24/05/485042405.db2.gz ZYRVBKPEQGNJCM-ZDUSSCGKSA-N 0 3 374.507 -0.769 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000685330008 485042014 /nfs/dbraw/zinc/04/20/14/485042014.db2.gz CVBGSPBXMKEIFF-AWEZNQCLSA-N 0 3 372.491 -0.919 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000685330011 485042570 /nfs/dbraw/zinc/04/25/70/485042570.db2.gz CVBGSPBXMKEIFF-CQSZACIVSA-N 0 3 372.491 -0.919 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000685336068 485045149 /nfs/dbraw/zinc/04/51/49/485045149.db2.gz AXDOWNKELYCAHW-FZKCQIBNSA-N 0 3 352.479 -0.093 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000685336069 485045374 /nfs/dbraw/zinc/04/53/74/485045374.db2.gz AXDOWNKELYCAHW-LVQVYYBASA-N 0 3 352.479 -0.093 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000685336070 485044789 /nfs/dbraw/zinc/04/47/89/485044789.db2.gz AXDOWNKELYCAHW-WCVJEAGWSA-N 0 3 352.479 -0.093 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000685336071 485043195 /nfs/dbraw/zinc/04/31/95/485043195.db2.gz AXDOWNKELYCAHW-XUWVNRHRSA-N 0 3 352.479 -0.093 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@H]1CN(C)CCO1 ZINC000685337137 485045318 /nfs/dbraw/zinc/04/53/18/485045318.db2.gz BVMJKFSROYHAID-GDBMZVCRSA-N 0 3 361.446 -0.435 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@H]1CN(C)CCO1 ZINC000685337138 485043961 /nfs/dbraw/zinc/04/39/61/485043961.db2.gz BVMJKFSROYHAID-GOEBONIOSA-N 0 3 361.446 -0.435 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CN(C)CCO1 ZINC000685337139 485043352 /nfs/dbraw/zinc/04/33/52/485043352.db2.gz BVMJKFSROYHAID-HOCLYGCPSA-N 0 3 361.446 -0.435 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CN(C)CCO1 ZINC000685337140 485043557 /nfs/dbraw/zinc/04/35/57/485043557.db2.gz BVMJKFSROYHAID-ZBFHGGJFSA-N 0 3 361.446 -0.435 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCCC12CCN(C)CC2)[C@@H]1CN(C)CCO1 ZINC000685337801 485043320 /nfs/dbraw/zinc/04/33/20/485043320.db2.gz ITUNDDAWAGQVQJ-CABCVRRESA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCCC12CCN(C)CC2)[C@@H]1CN(C)CCO1 ZINC000685337802 485045774 /nfs/dbraw/zinc/04/57/74/485045774.db2.gz ITUNDDAWAGQVQJ-GJZGRUSLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCCC12CCN(C)CC2)[C@H]1CN(C)CCO1 ZINC000685337803 485044665 /nfs/dbraw/zinc/04/46/65/485044665.db2.gz ITUNDDAWAGQVQJ-HUUCEWRRSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCCC12CCN(C)CC2)[C@H]1CN(C)CCO1 ZINC000685337804 485043700 /nfs/dbraw/zinc/04/37/00/485043700.db2.gz ITUNDDAWAGQVQJ-LSDHHAIUSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1CN(C)CCO1 ZINC000685338398 485046718 /nfs/dbraw/zinc/04/67/18/485046718.db2.gz PFERCDUJRRRSOR-ARFHVFGLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1CN(C)CCO1 ZINC000685338400 485047404 /nfs/dbraw/zinc/04/74/04/485047404.db2.gz PFERCDUJRRRSOR-HRCADAONSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@@H]1CN(C)CCO1 ZINC000685338402 485047573 /nfs/dbraw/zinc/04/75/73/485047573.db2.gz PFERCDUJRRRSOR-JYJNAYRXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@@H]1CN(C)CCO1 ZINC000685338403 485046969 /nfs/dbraw/zinc/04/69/69/485046969.db2.gz PFERCDUJRRRSOR-XHSDSOJGSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CN(C)CCO1 ZINC000685341582 485050337 /nfs/dbraw/zinc/05/03/37/485050337.db2.gz OKCZGLLLJCPDPK-BPUTZDHNSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CN(C)CCO1 ZINC000685341603 485049741 /nfs/dbraw/zinc/04/97/41/485049741.db2.gz OKCZGLLLJCPDPK-CWRNSKLLSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H]1CCCCN1C1CC1)[C@@H]1CN(C)CCO1 ZINC000685341606 485049960 /nfs/dbraw/zinc/04/99/60/485049960.db2.gz OKCZGLLLJCPDPK-IMJJTQAJSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H]1CCCCN1C1CC1)[C@H]1CN(C)CCO1 ZINC000685341609 485050611 /nfs/dbraw/zinc/05/06/11/485050611.db2.gz OKCZGLLLJCPDPK-NUEKZKHPSA-N 0 3 352.479 -0.045 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000685341755 485049902 /nfs/dbraw/zinc/04/99/02/485049902.db2.gz PQBISXUZLOUERT-GDBMZVCRSA-N 0 3 370.494 -0.609 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000685341760 485052605 /nfs/dbraw/zinc/05/26/05/485052605.db2.gz PQBISXUZLOUERT-GOEBONIOSA-N 0 3 370.494 -0.609 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000685341764 485051481 /nfs/dbraw/zinc/05/14/81/485051481.db2.gz PQBISXUZLOUERT-HOCLYGCPSA-N 0 3 370.494 -0.609 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000685341768 485052675 /nfs/dbraw/zinc/05/26/75/485052675.db2.gz PQBISXUZLOUERT-ZBFHGGJFSA-N 0 3 370.494 -0.609 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)[C@H]1CN(C)CCO1 ZINC000685343326 485055041 /nfs/dbraw/zinc/05/50/41/485055041.db2.gz MBJPXIKGEDXBIQ-ARFHVFGLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)[C@H]1CN(C)CCO1 ZINC000685343327 485054121 /nfs/dbraw/zinc/05/41/21/485054121.db2.gz MBJPXIKGEDXBIQ-HRCADAONSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)[C@@H]1CN(C)CCO1 ZINC000685343328 485054589 /nfs/dbraw/zinc/05/45/89/485054589.db2.gz MBJPXIKGEDXBIQ-JYJNAYRXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)[C@@H]1CN(C)CCO1 ZINC000685343329 485054534 /nfs/dbraw/zinc/05/45/34/485054534.db2.gz MBJPXIKGEDXBIQ-XHSDSOJGSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)[C@H]1CN(C)CCO1 ZINC000685343523 485054427 /nfs/dbraw/zinc/05/44/27/485054427.db2.gz MJKPZQQVAHVRDR-ARFHVFGLSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)[C@H]1CN(C)CCO1 ZINC000685343524 485054833 /nfs/dbraw/zinc/05/48/33/485054833.db2.gz MJKPZQQVAHVRDR-HRCADAONSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)[C@@H]1CN(C)CCO1 ZINC000685343525 485054159 /nfs/dbraw/zinc/05/41/59/485054159.db2.gz MJKPZQQVAHVRDR-JYJNAYRXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)[C@@H]1CN(C)CCO1 ZINC000685343526 485054078 /nfs/dbraw/zinc/05/40/78/485054078.db2.gz MJKPZQQVAHVRDR-XHSDSOJGSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[C@H]1CN(C)CCO1 ZINC000685344368 485054474 /nfs/dbraw/zinc/05/44/74/485054474.db2.gz VURATUKXZLYNNJ-ARFHVFGLSA-N 0 3 370.494 -0.609 20 0 FBADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[C@H]1CN(C)CCO1 ZINC000685344369 485053970 /nfs/dbraw/zinc/05/39/70/485053970.db2.gz VURATUKXZLYNNJ-HRCADAONSA-N 0 3 370.494 -0.609 20 0 FBADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[C@@H]1CN(C)CCO1 ZINC000685344370 485054992 /nfs/dbraw/zinc/05/49/92/485054992.db2.gz VURATUKXZLYNNJ-JYJNAYRXSA-N 0 3 370.494 -0.609 20 0 FBADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[C@@H]1CN(C)CCO1 ZINC000685344371 485055483 /nfs/dbraw/zinc/05/54/83/485055483.db2.gz VURATUKXZLYNNJ-XHSDSOJGSA-N 0 3 370.494 -0.609 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[C@@H]1CCCO1 ZINC000685352338 485057368 /nfs/dbraw/zinc/05/73/68/485057368.db2.gz YPAOTWSFXRZRCU-CVEARBPZSA-N 0 3 370.494 -0.608 20 0 FBADHN COC[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[C@@H]1CCCO1 ZINC000685352339 485056940 /nfs/dbraw/zinc/05/69/40/485056940.db2.gz YPAOTWSFXRZRCU-HOTGVXAUSA-N 0 3 370.494 -0.608 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[C@H]1CCCO1 ZINC000685352340 485057021 /nfs/dbraw/zinc/05/70/21/485057021.db2.gz YPAOTWSFXRZRCU-HZPDHXFCSA-N 0 3 370.494 -0.608 20 0 FBADHN COC[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[C@H]1CCCO1 ZINC000685352341 485057090 /nfs/dbraw/zinc/05/70/90/485057090.db2.gz YPAOTWSFXRZRCU-JKSUJKDBSA-N 0 3 370.494 -0.608 20 0 FBADHN COC[C@@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@@H]1CCCO1 ZINC000685352962 485056914 /nfs/dbraw/zinc/05/69/14/485056914.db2.gz RFLKPPJQCDIZIA-CVEARBPZSA-N 0 3 371.478 -0.134 20 0 FBADHN COC[C@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@@H]1CCCO1 ZINC000685352963 485057313 /nfs/dbraw/zinc/05/73/13/485057313.db2.gz RFLKPPJQCDIZIA-HOTGVXAUSA-N 0 3 371.478 -0.134 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/nfs/dbraw/zinc/15/80/93/660158093.db2.gz MLXRKBGDDYVGIN-AWEZNQCLSA-N 0 3 360.480 -0.474 20 0 FBADHN CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CCN(C2CC2)C1 ZINC000732458760 660158108 /nfs/dbraw/zinc/15/81/08/660158108.db2.gz MLXRKBGDDYVGIN-CQSZACIVSA-N 0 3 360.480 -0.474 20 0 FBADHN CCN1CCN(CCNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000733161052 660182384 /nfs/dbraw/zinc/18/23/84/660182384.db2.gz HBQSBADWUXXABA-UHFFFAOYSA-N 0 3 358.439 -0.160 20 0 FBADHN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733164617 660182169 /nfs/dbraw/zinc/18/21/69/660182169.db2.gz ZJJLBVUAQMZFOA-UHFFFAOYSA-N 0 3 351.451 -0.589 20 0 FBADHN CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733164617 660182168 /nfs/dbraw/zinc/18/21/68/660182168.db2.gz ZJJLBVUAQMZFOA-UHFFFAOYSA-N 0 3 351.451 -0.589 20 0 FBADHN COC[C@]1(C)NC(=O)N(CN2CCC(CN3CCOCC3)CC2)C1=O ZINC000733293207 660345934 /nfs/dbraw/zinc/34/59/34/660345934.db2.gz IENGEUWHYSCWCO-KRWDZBQOSA-N 0 3 354.451 -0.055 20 0 FBADHN 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CC(C)[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)N1CCN(C)CC1 ZINC000735054893 660374080 /nfs/dbraw/zinc/37/40/80/660374080.db2.gz ZQKBVADFLZCUKO-CQSZACIVSA-N 0 3 351.451 -0.914 20 0 FBADHN CC(=O)N1CCN(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000735467609 599484016 /nfs/dbraw/zinc/48/40/16/599484016.db2.gz RYKMTZZKNYPJOD-UHFFFAOYSA-N 0 3 369.433 -0.232 20 0 FBADHN CC(=O)N1CCN(CC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000735467609 599484013 /nfs/dbraw/zinc/48/40/13/599484013.db2.gz RYKMTZZKNYPJOD-UHFFFAOYSA-N 0 3 369.433 -0.232 20 0 FBADHN CN(C)CCNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000735585864 660379531 /nfs/dbraw/zinc/37/95/31/660379531.db2.gz MZDQUDAGSQYTPO-UHFFFAOYSA-N 0 3 357.432 -0.274 20 0 FBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000735586605 660379552 /nfs/dbraw/zinc/37/95/52/660379552.db2.gz VMATULALHSDSLN-UHFFFAOYSA-N 0 3 358.420 -0.515 20 0 FBADHN CN(C)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000735586610 660379410 /nfs/dbraw/zinc/37/94/10/660379410.db2.gz 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CC(C)(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000735670437 598518241 /nfs/dbraw/zinc/51/82/41/598518241.db2.gz PNCODYQCNFFBBB-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN CC(C)(C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCOCC1 ZINC000735670440 598518359 /nfs/dbraw/zinc/51/83/59/598518359.db2.gz PNCODYQCNFFBBB-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN CC(C)(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000735670440 598518358 /nfs/dbraw/zinc/51/83/58/598518358.db2.gz PNCODYQCNFFBBB-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN CC(C)(C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NS(C)(=O)=O ZINC000735671036 598596392 /nfs/dbraw/zinc/59/63/92/598596392.db2.gz ZVOIJHFSOAUGLA-SECBINFHSA-N 0 3 369.455 -0.978 20 0 FBADHN CC(C)(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NS(C)(=O)=O ZINC000735671036 598596390 /nfs/dbraw/zinc/59/63/90/598596390.db2.gz ZVOIJHFSOAUGLA-SECBINFHSA-N 0 3 369.455 -0.978 20 0 FBADHN CC(C)(C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NS(C)(=O)=O ZINC000735671040 598596429 /nfs/dbraw/zinc/59/64/29/598596429.db2.gz ZVOIJHFSOAUGLA-VIFPVBQESA-N 0 3 369.455 -0.978 20 0 FBADHN CC(C)(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NS(C)(=O)=O ZINC000735671040 598596427 /nfs/dbraw/zinc/59/64/27/598596427.db2.gz ZVOIJHFSOAUGLA-VIFPVBQESA-N 0 3 369.455 -0.978 20 0 FBADHN CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735838803 598524311 /nfs/dbraw/zinc/52/43/11/598524311.db2.gz VUNQOFLSNJUTMB-NEPJUHHUSA-N 0 3 350.427 -0.272 20 0 FBADHN CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735838803 598524309 /nfs/dbraw/zinc/52/43/09/598524309.db2.gz VUNQOFLSNJUTMB-NEPJUHHUSA-N 0 3 350.427 -0.272 20 0 FBADHN CC(C)COC[C@H](O)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735838804 598524635 /nfs/dbraw/zinc/52/46/35/598524635.db2.gz VUNQOFLSNJUTMB-NWDGAFQWSA-N 0 3 350.427 -0.272 20 0 FBADHN CC(C)COC[C@H](O)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735838804 598524634 /nfs/dbraw/zinc/52/46/34/598524634.db2.gz VUNQOFLSNJUTMB-NWDGAFQWSA-N 0 3 350.427 -0.272 20 0 FBADHN CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735838805 598524561 /nfs/dbraw/zinc/52/45/61/598524561.db2.gz VUNQOFLSNJUTMB-RYUDHWBXSA-N 0 3 350.427 -0.272 20 0 FBADHN CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735838805 598524560 /nfs/dbraw/zinc/52/45/60/598524560.db2.gz VUNQOFLSNJUTMB-RYUDHWBXSA-N 0 3 350.427 -0.272 20 0 FBADHN CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735838806 598524328 /nfs/dbraw/zinc/52/43/28/598524328.db2.gz VUNQOFLSNJUTMB-VXGBXAGGSA-N 0 3 350.427 -0.272 20 0 FBADHN CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735838806 598524326 /nfs/dbraw/zinc/52/43/26/598524326.db2.gz VUNQOFLSNJUTMB-VXGBXAGGSA-N 0 3 350.427 -0.272 20 0 FBADHN CCOC(=O)C1=C(CN2CCN(C(C)(C)CO)CC2)NC(=O)N[C@@H]1C ZINC000735871300 660382661 /nfs/dbraw/zinc/38/26/61/660382661.db2.gz ZKQHKHOBUYLFLB-GFCCVEGCSA-N 0 3 354.451 -0.107 20 0 FBADHN CCOC(=O)C1=C(CN2CCN(C(C)(C)CO)CC2)NC(=O)N[C@H]1C ZINC000735871301 660382540 /nfs/dbraw/zinc/38/25/40/660382540.db2.gz ZKQHKHOBUYLFLB-LBPRGKRZSA-N 0 3 354.451 -0.107 20 0 FBADHN CC(C)NS(=O)(=O)CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735891923 598530239 /nfs/dbraw/zinc/53/02/39/598530239.db2.gz AFNFETHYZXFFEE-JTQLQIEISA-N 0 3 369.455 -0.978 20 0 FBADHN CC(C)NS(=O)(=O)CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735891923 598530237 /nfs/dbraw/zinc/53/02/37/598530237.db2.gz AFNFETHYZXFFEE-JTQLQIEISA-N 0 3 369.455 -0.978 20 0 FBADHN CC(C)NS(=O)(=O)CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735891925 598530517 /nfs/dbraw/zinc/53/05/17/598530517.db2.gz AFNFETHYZXFFEE-SNVBAGLBSA-N 0 3 369.455 -0.978 20 0 FBADHN CC(C)NS(=O)(=O)CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735891925 598530514 /nfs/dbraw/zinc/53/05/14/598530514.db2.gz AFNFETHYZXFFEE-SNVBAGLBSA-N 0 3 369.455 -0.978 20 0 FBADHN CS(=O)(=O)NCCNC(=S)N1CCN(CC2CCOCC2)CC1 ZINC000735986250 660384017 /nfs/dbraw/zinc/38/40/17/660384017.db2.gz CVBOQXAGWMUSFH-UHFFFAOYSA-N 0 3 364.537 -0.546 20 0 FBADHN C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CN1CCOCC1 ZINC000736025573 599599296 /nfs/dbraw/zinc/59/92/96/599599296.db2.gz LWOYBQBSEZCYLC-CHWSQXEVSA-N 0 3 361.454 -0.337 20 0 FBADHN C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CN1CCOCC1 ZINC000736025573 599599294 /nfs/dbraw/zinc/59/92/94/599599294.db2.gz LWOYBQBSEZCYLC-CHWSQXEVSA-N 0 3 361.454 -0.337 20 0 FBADHN C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CN1CCOCC1 ZINC000736025578 599599180 /nfs/dbraw/zinc/59/91/80/599599180.db2.gz LWOYBQBSEZCYLC-OLZOCXBDSA-N 0 3 361.454 -0.337 20 0 FBADHN C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CN1CCOCC1 ZINC000736025578 599599178 /nfs/dbraw/zinc/59/91/78/599599178.db2.gz LWOYBQBSEZCYLC-OLZOCXBDSA-N 0 3 361.454 -0.337 20 0 FBADHN C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CN1CCOCC1 ZINC000736025583 599599381 /nfs/dbraw/zinc/59/93/81/599599381.db2.gz LWOYBQBSEZCYLC-QWHCGFSZSA-N 0 3 361.454 -0.337 20 0 FBADHN C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CN1CCOCC1 ZINC000736025583 599599379 /nfs/dbraw/zinc/59/93/79/599599379.db2.gz LWOYBQBSEZCYLC-QWHCGFSZSA-N 0 3 361.454 -0.337 20 0 FBADHN C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CN1CCOCC1 ZINC000736025587 599599444 /nfs/dbraw/zinc/59/94/44/599599444.db2.gz LWOYBQBSEZCYLC-STQMWFEESA-N 0 3 361.454 -0.337 20 0 FBADHN C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CN1CCOCC1 ZINC000736025587 599599442 /nfs/dbraw/zinc/59/94/42/599599442.db2.gz LWOYBQBSEZCYLC-STQMWFEESA-N 0 3 361.454 -0.337 20 0 FBADHN Cn1cc(C(=O)N2CCN(CC3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000736049946 660385026 /nfs/dbraw/zinc/38/50/26/660385026.db2.gz OUVAIOXJRWKYSN-UHFFFAOYSA-N 0 3 350.419 -0.732 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccco1 ZINC000736133190 598713671 /nfs/dbraw/zinc/71/36/71/598713671.db2.gz FXSIELDSMITBPG-GHMZBOCLSA-N 0 3 371.405 -0.008 20 0 FBADHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccco1 ZINC000736133191 598714187 /nfs/dbraw/zinc/71/41/87/598714187.db2.gz FXSIELDSMITBPG-MNOVXSKESA-N 0 3 371.405 -0.008 20 0 FBADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccco1 ZINC000736133193 598713985 /nfs/dbraw/zinc/71/39/85/598713985.db2.gz FXSIELDSMITBPG-QWRGUYRKSA-N 0 3 371.405 -0.008 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccco1 ZINC000736133194 598713992 /nfs/dbraw/zinc/71/39/92/598713992.db2.gz FXSIELDSMITBPG-WDEREUQCSA-N 0 3 371.405 -0.008 20 0 FBADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)[C@H](C)N1CCOCC1 ZINC000736137412 598530290 /nfs/dbraw/zinc/53/02/90/598530290.db2.gz XGYRNOUCFDWUFR-AVGNSLFASA-N 0 3 361.454 -0.196 20 0 FBADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)[C@H](C)N1CCOCC1 ZINC000736137412 598530288 /nfs/dbraw/zinc/53/02/88/598530288.db2.gz XGYRNOUCFDWUFR-AVGNSLFASA-N 0 3 361.454 -0.196 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)[C@H](C)N1CCOCC1 ZINC000736137414 598530077 /nfs/dbraw/zinc/53/00/77/598530077.db2.gz XGYRNOUCFDWUFR-RWMBFGLXSA-N 0 3 361.454 -0.196 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)[C@H](C)N1CCOCC1 ZINC000736137414 598530075 /nfs/dbraw/zinc/53/00/75/598530075.db2.gz XGYRNOUCFDWUFR-RWMBFGLXSA-N 0 3 361.454 -0.196 20 0 FBADHN C[C@H]([C@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCOCC1 ZINC000736137416 598530467 /nfs/dbraw/zinc/53/04/67/598530467.db2.gz XGYRNOUCFDWUFR-XQQFMLRXSA-N 0 3 361.454 -0.196 20 0 FBADHN C[C@H]([C@H](C)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000736137416 598530465 /nfs/dbraw/zinc/53/04/65/598530465.db2.gz XGYRNOUCFDWUFR-XQQFMLRXSA-N 0 3 361.454 -0.196 20 0 FBADHN C[C@H]([C@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCOCC1 ZINC000736137418 598530547 /nfs/dbraw/zinc/53/05/47/598530547.db2.gz XGYRNOUCFDWUFR-YNEHKIRRSA-N 0 3 361.454 -0.196 20 0 FBADHN C[C@H]([C@H](C)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000736137418 598530546 /nfs/dbraw/zinc/53/05/46/598530546.db2.gz XGYRNOUCFDWUFR-YNEHKIRRSA-N 0 3 361.454 -0.196 20 0 FBADHN CC1(C)CN(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCO1 ZINC000736214911 598530204 /nfs/dbraw/zinc/53/02/04/598530204.db2.gz WZWOCAOGBWVOAB-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN CC1(C)CN(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCO1 ZINC000736214911 598530202 /nfs/dbraw/zinc/53/02/02/598530202.db2.gz WZWOCAOGBWVOAB-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN CC1(C)CN(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCO1 ZINC000736214912 598530377 /nfs/dbraw/zinc/53/03/77/598530377.db2.gz WZWOCAOGBWVOAB-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN CC1(C)CN(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCO1 ZINC000736214912 598530376 /nfs/dbraw/zinc/53/03/76/598530376.db2.gz WZWOCAOGBWVOAB-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN CC1(C)COCCN1CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736215024 598529306 /nfs/dbraw/zinc/52/93/06/598529306.db2.gz SLCONQIOULLNCV-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN CC1(C)COCCN1CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736215024 598529305 /nfs/dbraw/zinc/52/93/05/598529305.db2.gz SLCONQIOULLNCV-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN CC1(C)COCCN1CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736215029 598528971 /nfs/dbraw/zinc/52/89/71/598528971.db2.gz SLCONQIOULLNCV-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN CC1(C)COCCN1CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736215029 598528970 /nfs/dbraw/zinc/52/89/70/598528970.db2.gz SLCONQIOULLNCV-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN COC[C@]1(C)NC(=O)N(CN2CCN(CC3CCOCC3)CC2)C1=O ZINC000736282405 660388642 /nfs/dbraw/zinc/38/86/42/660388642.db2.gz RUILAAOHTMBBKV-KRWDZBQOSA-N 0 3 354.451 -0.055 20 0 FBADHN COC[C@@]1(C)NC(=O)N(CN2CCN(CC3CCOCC3)CC2)C1=O ZINC000736282407 660388733 /nfs/dbraw/zinc/38/87/33/660388733.db2.gz RUILAAOHTMBBKV-QGZVFWFLSA-N 0 3 354.451 -0.055 20 0 FBADHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000736288198 660388427 /nfs/dbraw/zinc/38/84/27/660388427.db2.gz KKJAHTVNXJWITA-NEPJUHHUSA-N 0 3 358.464 -0.533 20 0 FBADHN C[C@@H]1[C@H](C)N(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCS1(=O)=O ZINC000736288201 660388626 /nfs/dbraw/zinc/38/86/26/660388626.db2.gz KKJAHTVNXJWITA-NWDGAFQWSA-N 0 3 358.464 -0.533 20 0 FBADHN C[C@H]1[C@H](C)S(=O)(=O)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000736288203 660388766 /nfs/dbraw/zinc/38/87/66/660388766.db2.gz KKJAHTVNXJWITA-RYUDHWBXSA-N 0 3 358.464 -0.533 20 0 FBADHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000736288205 660388557 /nfs/dbraw/zinc/38/85/57/660388557.db2.gz KKJAHTVNXJWITA-VXGBXAGGSA-N 0 3 358.464 -0.533 20 0 FBADHN CC(C)N1CCO[C@@H](CN2CC[NH+](CCC(=O)NCC(=O)[O-])CC2)C1 ZINC000736474217 600300354 /nfs/dbraw/zinc/30/03/54/600300354.db2.gz KRCGXODEYLNDTK-HNNXBMFYSA-N 0 3 356.467 -0.696 20 0 FBADHN CC(C)N1CCO[C@H](CN2CC[NH+](CCC(=O)NCC(=O)[O-])CC2)C1 ZINC000736474219 600300480 /nfs/dbraw/zinc/30/04/80/600300480.db2.gz KRCGXODEYLNDTK-OAHLLOKOSA-N 0 3 356.467 -0.696 20 0 FBADHN CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736533523 599029846 /nfs/dbraw/zinc/02/98/46/599029846.db2.gz HWZINPBOCDNVLT-UHFFFAOYSA-N 0 3 372.433 -0.112 20 0 FBADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570368 598841211 /nfs/dbraw/zinc/84/12/11/598841211.db2.gz MBIWYUAOKVOCIF-GHMZBOCLSA-N 0 3 373.421 -0.382 20 0 FBADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570368 598841209 /nfs/dbraw/zinc/84/12/09/598841209.db2.gz MBIWYUAOKVOCIF-GHMZBOCLSA-N 0 3 373.421 -0.382 20 0 FBADHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570371 598841232 /nfs/dbraw/zinc/84/12/32/598841232.db2.gz MBIWYUAOKVOCIF-MNOVXSKESA-N 0 3 373.421 -0.382 20 0 FBADHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570371 598841230 /nfs/dbraw/zinc/84/12/30/598841230.db2.gz MBIWYUAOKVOCIF-MNOVXSKESA-N 0 3 373.421 -0.382 20 0 FBADHN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570373 598841147 /nfs/dbraw/zinc/84/11/47/598841147.db2.gz MBIWYUAOKVOCIF-QWRGUYRKSA-N 0 3 373.421 -0.382 20 0 FBADHN CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570373 598841146 /nfs/dbraw/zinc/84/11/46/598841146.db2.gz MBIWYUAOKVOCIF-QWRGUYRKSA-N 0 3 373.421 -0.382 20 0 FBADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570375 598841065 /nfs/dbraw/zinc/84/10/65/598841065.db2.gz MBIWYUAOKVOCIF-WDEREUQCSA-N 0 3 373.421 -0.382 20 0 FBADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CC1=O ZINC000736570375 598841064 /nfs/dbraw/zinc/84/10/64/598841064.db2.gz MBIWYUAOKVOCIF-WDEREUQCSA-N 0 3 373.421 -0.382 20 0 FBADHN CCS(=O)(=O)NCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736659229 599488348 /nfs/dbraw/zinc/48/83/48/599488348.db2.gz QEXGZKXKRBPJLL-UHFFFAOYSA-N 0 3 364.435 -0.067 20 0 FBADHN CCS(=O)(=O)NCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736659229 599488345 /nfs/dbraw/zinc/48/83/45/599488345.db2.gz QEXGZKXKRBPJLL-UHFFFAOYSA-N 0 3 364.435 -0.067 20 0 FBADHN CCS(=O)(=O)NCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736659529 598528124 /nfs/dbraw/zinc/52/81/24/598528124.db2.gz STZBPCSVEZRDQJ-JTQLQIEISA-N 0 3 369.455 -0.976 20 0 FBADHN CCS(=O)(=O)NCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736659529 598528123 /nfs/dbraw/zinc/52/81/23/598528123.db2.gz STZBPCSVEZRDQJ-JTQLQIEISA-N 0 3 369.455 -0.976 20 0 FBADHN CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736659532 598528186 /nfs/dbraw/zinc/52/81/86/598528186.db2.gz STZBPCSVEZRDQJ-SNVBAGLBSA-N 0 3 369.455 -0.976 20 0 FBADHN CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736659532 598528185 /nfs/dbraw/zinc/52/81/85/598528185.db2.gz STZBPCSVEZRDQJ-SNVBAGLBSA-N 0 3 369.455 -0.976 20 0 FBADHN CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000736705697 598530945 /nfs/dbraw/zinc/53/09/45/598530945.db2.gz MURRFFBAUWHWHZ-GHMZBOCLSA-N 0 3 369.437 -0.137 20 0 FBADHN CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000736705697 598530944 /nfs/dbraw/zinc/53/09/44/598530944.db2.gz MURRFFBAUWHWHZ-GHMZBOCLSA-N 0 3 369.437 -0.137 20 0 FBADHN CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000736705699 598530909 /nfs/dbraw/zinc/53/09/09/598530909.db2.gz MURRFFBAUWHWHZ-MNOVXSKESA-N 0 3 369.437 -0.137 20 0 FBADHN CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000736705699 598530907 /nfs/dbraw/zinc/53/09/07/598530907.db2.gz MURRFFBAUWHWHZ-MNOVXSKESA-N 0 3 369.437 -0.137 20 0 FBADHN CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000736705701 598531016 /nfs/dbraw/zinc/53/10/16/598531016.db2.gz MURRFFBAUWHWHZ-QWRGUYRKSA-N 0 3 369.437 -0.137 20 0 FBADHN CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000736705701 598531014 /nfs/dbraw/zinc/53/10/14/598531014.db2.gz MURRFFBAUWHWHZ-QWRGUYRKSA-N 0 3 369.437 -0.137 20 0 FBADHN CCc1nc2n(n1)C[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000736705703 598531122 /nfs/dbraw/zinc/53/11/22/598531122.db2.gz MURRFFBAUWHWHZ-WDEREUQCSA-N 0 3 369.437 -0.137 20 0 FBADHN CCc1nc2n(n1)C[C@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000736705703 598531120 /nfs/dbraw/zinc/53/11/20/598531120.db2.gz MURRFFBAUWHWHZ-WDEREUQCSA-N 0 3 369.437 -0.137 20 0 FBADHN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736747275 599028336 /nfs/dbraw/zinc/02/83/36/599028336.db2.gz QMIXQVVHGFCLIB-AWEZNQCLSA-N 0 3 372.433 -0.066 20 0 FBADHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736747275 599028335 /nfs/dbraw/zinc/02/83/35/599028335.db2.gz QMIXQVVHGFCLIB-AWEZNQCLSA-N 0 3 372.433 -0.066 20 0 FBADHN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736747277 599028529 /nfs/dbraw/zinc/02/85/29/599028529.db2.gz QMIXQVVHGFCLIB-CQSZACIVSA-N 0 3 372.433 -0.066 20 0 FBADHN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736747277 599028527 /nfs/dbraw/zinc/02/85/27/599028527.db2.gz QMIXQVVHGFCLIB-CQSZACIVSA-N 0 3 372.433 -0.066 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736748917 598569864 /nfs/dbraw/zinc/56/98/64/598569864.db2.gz ZDRUJGJKKDRGJW-UHFFFAOYSA-N 0 3 372.433 -0.066 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736748917 598569862 /nfs/dbraw/zinc/56/98/62/598569862.db2.gz ZDRUJGJKKDRGJW-UHFFFAOYSA-N 0 3 372.433 -0.066 20 0 FBADHN C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000736758060 599210315 /nfs/dbraw/zinc/21/03/15/599210315.db2.gz CFMZCKFXLWTGJK-JTQLQIEISA-N 0 3 370.410 -0.043 20 0 FBADHN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000736758061 599210104 /nfs/dbraw/zinc/21/01/04/599210104.db2.gz CFMZCKFXLWTGJK-SNVBAGLBSA-N 0 3 370.410 -0.043 20 0 FBADHN C[NH+](C)CCn1cc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000736772368 598529266 /nfs/dbraw/zinc/52/92/66/598529266.db2.gz ZQECKXPZZIAHNI-LLVKDONJSA-N 0 3 357.426 -0.025 20 0 FBADHN C[NH+](C)CCn1cc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000736772368 598529265 /nfs/dbraw/zinc/52/92/65/598529265.db2.gz ZQECKXPZZIAHNI-LLVKDONJSA-N 0 3 357.426 -0.025 20 0 FBADHN C[NH+](C)CCn1cc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000736772374 598529365 /nfs/dbraw/zinc/52/93/65/598529365.db2.gz ZQECKXPZZIAHNI-NSHDSACASA-N 0 3 357.426 -0.025 20 0 FBADHN C[NH+](C)CCn1cc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000736772374 598529364 /nfs/dbraw/zinc/52/93/64/598529364.db2.gz ZQECKXPZZIAHNI-NSHDSACASA-N 0 3 357.426 -0.025 20 0 FBADHN CN(CCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12)S(C)(=O)=O ZINC000736799481 599484776 /nfs/dbraw/zinc/48/47/76/599484776.db2.gz FOGGIJWISOUAFU-UHFFFAOYSA-N 0 3 364.435 -0.115 20 0 FBADHN CN(CCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12)S(C)(=O)=O ZINC000736799481 599484773 /nfs/dbraw/zinc/48/47/73/599484773.db2.gz FOGGIJWISOUAFU-UHFFFAOYSA-N 0 3 364.435 -0.115 20 0 FBADHN C[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000736801791 598727741 /nfs/dbraw/zinc/72/77/41/598727741.db2.gz LEDSZUKVKNVXPZ-HNNXBMFYSA-N 0 3 362.434 -0.130 20 0 FBADHN C[N@H+](CCOc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000736801791 598727740 /nfs/dbraw/zinc/72/77/40/598727740.db2.gz LEDSZUKVKNVXPZ-HNNXBMFYSA-N 0 3 362.434 -0.130 20 0 FBADHN C[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000736801795 598727445 /nfs/dbraw/zinc/72/74/45/598727445.db2.gz LEDSZUKVKNVXPZ-OAHLLOKOSA-N 0 3 362.434 -0.130 20 0 FBADHN C[N@H+](CCOc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000736801795 598727443 /nfs/dbraw/zinc/72/74/43/598727443.db2.gz LEDSZUKVKNVXPZ-OAHLLOKOSA-N 0 3 362.434 -0.130 20 0 FBADHN C[N@@H+](CCO)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736802321 598350102 /nfs/dbraw/zinc/35/01/02/598350102.db2.gz PZAJFDCXAZBBDX-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN C[N@H+](CCO)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736802321 598350100 /nfs/dbraw/zinc/35/01/00/598350100.db2.gz PZAJFDCXAZBBDX-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN C[N@@H+](CCO)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736802321 598350098 /nfs/dbraw/zinc/35/00/98/598350098.db2.gz PZAJFDCXAZBBDX-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN C[N@H+](CCO)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736802321 598350097 /nfs/dbraw/zinc/35/00/97/598350097.db2.gz PZAJFDCXAZBBDX-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN C[N@@H+](CCO)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802330 599074376 /nfs/dbraw/zinc/07/43/76/599074376.db2.gz QDDAKBZBGZYHLA-HNNXBMFYSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@H+](CCO)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802330 599074374 /nfs/dbraw/zinc/07/43/74/599074374.db2.gz QDDAKBZBGZYHLA-HNNXBMFYSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@@H+](CCO)C1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802330 599074372 /nfs/dbraw/zinc/07/43/72/599074372.db2.gz QDDAKBZBGZYHLA-HNNXBMFYSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@H+](CCO)C1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802330 599074370 /nfs/dbraw/zinc/07/43/70/599074370.db2.gz QDDAKBZBGZYHLA-HNNXBMFYSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@@H+](CCO)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802334 599074590 /nfs/dbraw/zinc/07/45/90/599074590.db2.gz QDDAKBZBGZYHLA-OAHLLOKOSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@H+](CCO)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802334 599074588 /nfs/dbraw/zinc/07/45/88/599074588.db2.gz QDDAKBZBGZYHLA-OAHLLOKOSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@@H+](CCO)C1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802334 599074586 /nfs/dbraw/zinc/07/45/86/599074586.db2.gz QDDAKBZBGZYHLA-OAHLLOKOSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@H+](CCO)C1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802334 599074582 /nfs/dbraw/zinc/07/45/82/599074582.db2.gz QDDAKBZBGZYHLA-OAHLLOKOSA-N 0 3 359.434 -0.218 20 0 FBADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802453 598375881 /nfs/dbraw/zinc/37/58/81/598375881.db2.gz SJTCLYISLUQRNI-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802453 598375879 /nfs/dbraw/zinc/37/58/79/598375879.db2.gz SJTCLYISLUQRNI-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802453 598375877 /nfs/dbraw/zinc/37/58/77/598375877.db2.gz SJTCLYISLUQRNI-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802453 598375876 /nfs/dbraw/zinc/37/58/76/598375876.db2.gz SJTCLYISLUQRNI-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736802947 598375932 /nfs/dbraw/zinc/37/59/32/598375932.db2.gz ZJJIDSNGRUFXET-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736802947 598375930 /nfs/dbraw/zinc/37/59/30/598375930.db2.gz ZJJIDSNGRUFXET-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736802947 598375928 /nfs/dbraw/zinc/37/59/28/598375928.db2.gz ZJJIDSNGRUFXET-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736802947 598375927 /nfs/dbraw/zinc/37/59/27/598375927.db2.gz ZJJIDSNGRUFXET-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736802950 598375969 /nfs/dbraw/zinc/37/59/69/598375969.db2.gz ZORXNEONFYGNRL-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736802950 598375967 /nfs/dbraw/zinc/37/59/67/598375967.db2.gz ZORXNEONFYGNRL-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736802950 598375966 /nfs/dbraw/zinc/37/59/66/598375966.db2.gz ZORXNEONFYGNRL-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736802950 598375964 /nfs/dbraw/zinc/37/59/64/598375964.db2.gz ZORXNEONFYGNRL-UHFFFAOYSA-N 0 3 366.447 -0.056 20 0 FBADHN C[N@@H+](CCO)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802955 598350011 /nfs/dbraw/zinc/35/00/11/598350011.db2.gz ZUTSECYOLMXXHO-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN C[N@H+](CCO)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736802955 598350009 /nfs/dbraw/zinc/35/00/09/598350009.db2.gz ZUTSECYOLMXXHO-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN C[N@@H+](CCO)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802955 598350007 /nfs/dbraw/zinc/35/00/07/598350007.db2.gz ZUTSECYOLMXXHO-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN C[N@H+](CCO)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736802955 598350005 /nfs/dbraw/zinc/35/00/05/598350005.db2.gz ZUTSECYOLMXXHO-UHFFFAOYSA-N 0 3 373.461 -0.129 20 0 FBADHN CN1CCN(C(=O)CC[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CC1 ZINC000736857951 598284947 /nfs/dbraw/zinc/28/49/47/598284947.db2.gz VEJGUOSMYRALPV-UHFFFAOYSA-N 0 3 370.421 -0.837 20 0 FBADHN CNC(=O)CN1CCC([NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000736873361 599485095 /nfs/dbraw/zinc/48/50/95/599485095.db2.gz IWJDCSBOZSTMBI-UHFFFAOYSA-N 0 3 369.433 -0.186 20 0 FBADHN CNC(=O)CN1CCC([NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000736873361 599485094 /nfs/dbraw/zinc/48/50/94/599485094.db2.gz IWJDCSBOZSTMBI-UHFFFAOYSA-N 0 3 369.433 -0.186 20 0 FBADHN COC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736932543 598526118 /nfs/dbraw/zinc/52/61/18/598526118.db2.gz NTSLGTKFKLVKIX-JTQLQIEISA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736932543 598526117 /nfs/dbraw/zinc/52/61/17/598526117.db2.gz NTSLGTKFKLVKIX-JTQLQIEISA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736932544 598526480 /nfs/dbraw/zinc/52/64/80/598526480.db2.gz NTSLGTKFKLVKIX-SNVBAGLBSA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736932544 598526479 /nfs/dbraw/zinc/52/64/79/598526479.db2.gz NTSLGTKFKLVKIX-SNVBAGLBSA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736936994 598529135 /nfs/dbraw/zinc/52/91/35/598529135.db2.gz UAXFSCOXSNTWIE-GHMZBOCLSA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736936994 598529134 /nfs/dbraw/zinc/52/91/34/598529134.db2.gz UAXFSCOXSNTWIE-GHMZBOCLSA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736936996 598529116 /nfs/dbraw/zinc/52/91/16/598529116.db2.gz UAXFSCOXSNTWIE-MNOVXSKESA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736936996 598529114 /nfs/dbraw/zinc/52/91/14/598529114.db2.gz UAXFSCOXSNTWIE-MNOVXSKESA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736937000 598529359 /nfs/dbraw/zinc/52/93/59/598529359.db2.gz UAXFSCOXSNTWIE-QWRGUYRKSA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736937000 598529358 /nfs/dbraw/zinc/52/93/58/598529358.db2.gz UAXFSCOXSNTWIE-QWRGUYRKSA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736937002 598529190 /nfs/dbraw/zinc/52/91/90/598529190.db2.gz UAXFSCOXSNTWIE-WDEREUQCSA-N 0 3 361.410 -0.075 20 0 FBADHN COC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736937002 598529188 /nfs/dbraw/zinc/52/91/88/598529188.db2.gz UAXFSCOXSNTWIE-WDEREUQCSA-N 0 3 361.410 -0.075 20 0 FBADHN COCCN(C)CCNC(=O)COc1ccc(-c2nn[nH]n2)cc1OC ZINC000736990317 598408394 /nfs/dbraw/zinc/40/83/94/598408394.db2.gz MZNCJZSUWKTLBU-UHFFFAOYSA-N 0 3 364.406 -0.052 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736994659 598330259 /nfs/dbraw/zinc/33/02/59/598330259.db2.gz KIYRHQGPBXUQGV-UHFFFAOYSA-N 0 3 361.406 -0.158 20 0 FBADHN COCCN1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737006352 598529936 /nfs/dbraw/zinc/52/99/36/598529936.db2.gz GPLPMFZDDHXZIO-CHWSQXEVSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737006352 598529935 /nfs/dbraw/zinc/52/99/35/598529935.db2.gz GPLPMFZDDHXZIO-CHWSQXEVSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC[C@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737006353 598529723 /nfs/dbraw/zinc/52/97/23/598529723.db2.gz GPLPMFZDDHXZIO-OLZOCXBDSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC[C@H]1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737006353 598529721 /nfs/dbraw/zinc/52/97/21/598529721.db2.gz GPLPMFZDDHXZIO-OLZOCXBDSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737006354 598529979 /nfs/dbraw/zinc/52/99/79/598529979.db2.gz GPLPMFZDDHXZIO-QWHCGFSZSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737006354 598529978 /nfs/dbraw/zinc/52/99/78/598529978.db2.gz GPLPMFZDDHXZIO-QWHCGFSZSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC[C@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737006355 598529547 /nfs/dbraw/zinc/52/95/47/598529547.db2.gz GPLPMFZDDHXZIO-STQMWFEESA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC[C@H]1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737006355 598529545 /nfs/dbraw/zinc/52/95/45/598529545.db2.gz GPLPMFZDDHXZIO-STQMWFEESA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000737007915 598526300 /nfs/dbraw/zinc/52/63/00/598526300.db2.gz QNXUPCBBGYSBIX-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000737007915 598526297 /nfs/dbraw/zinc/52/62/97/598526297.db2.gz QNXUPCBBGYSBIX-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000737007917 598526447 /nfs/dbraw/zinc/52/64/47/598526447.db2.gz QNXUPCBBGYSBIX-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN COCCN1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000737007917 598526446 /nfs/dbraw/zinc/52/64/46/598526446.db2.gz QNXUPCBBGYSBIX-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000737051051 660448565 /nfs/dbraw/zinc/44/85/65/660448565.db2.gz XAIWHWVHKMWUIY-UHFFFAOYSA-N 0 3 362.496 -0.321 20 0 FBADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000737057173 599511769 /nfs/dbraw/zinc/51/17/69/599511769.db2.gz HFELGGYNCSKQSC-JTQLQIEISA-N 0 3 359.390 -0.118 20 0 FBADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000737057173 599511767 /nfs/dbraw/zinc/51/17/67/599511767.db2.gz HFELGGYNCSKQSC-JTQLQIEISA-N 0 3 359.390 -0.118 20 0 FBADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000737057177 599512318 /nfs/dbraw/zinc/51/23/18/599512318.db2.gz HFELGGYNCSKQSC-SNVBAGLBSA-N 0 3 359.390 -0.118 20 0 FBADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000737057177 599512315 /nfs/dbraw/zinc/51/23/15/599512315.db2.gz HFELGGYNCSKQSC-SNVBAGLBSA-N 0 3 359.390 -0.118 20 0 FBADHN CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737164750 598286151 /nfs/dbraw/zinc/28/61/51/598286151.db2.gz BGJFOKQYDLJWKI-UHFFFAOYSA-N 0 3 365.463 -0.467 20 0 FBADHN CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737164750 598286149 /nfs/dbraw/zinc/28/61/49/598286149.db2.gz BGJFOKQYDLJWKI-UHFFFAOYSA-N 0 3 365.463 -0.467 20 0 FBADHN CS(=O)(=O)N1CCN(CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737164864 598286352 /nfs/dbraw/zinc/28/63/52/598286352.db2.gz CMBREWZKUSRVFN-UHFFFAOYSA-N 0 3 365.463 -0.467 20 0 FBADHN CS(=O)(=O)N1CCN(CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737164864 598286351 /nfs/dbraw/zinc/28/63/51/598286351.db2.gz CMBREWZKUSRVFN-UHFFFAOYSA-N 0 3 365.463 -0.467 20 0 FBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737740728 598464163 /nfs/dbraw/zinc/46/41/63/598464163.db2.gz AOWAJLVSRREDLB-GFCCVEGCSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737740728 598464161 /nfs/dbraw/zinc/46/41/61/598464161.db2.gz AOWAJLVSRREDLB-GFCCVEGCSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737740728 598464159 /nfs/dbraw/zinc/46/41/59/598464159.db2.gz AOWAJLVSRREDLB-GFCCVEGCSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737740728 598464157 /nfs/dbraw/zinc/46/41/57/598464157.db2.gz AOWAJLVSRREDLB-GFCCVEGCSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737740764 598464300 /nfs/dbraw/zinc/46/43/00/598464300.db2.gz AOWAJLVSRREDLB-LBPRGKRZSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737740764 598464298 /nfs/dbraw/zinc/46/42/98/598464298.db2.gz AOWAJLVSRREDLB-LBPRGKRZSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737740764 598464297 /nfs/dbraw/zinc/46/42/97/598464297.db2.gz AOWAJLVSRREDLB-LBPRGKRZSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737740764 598464295 /nfs/dbraw/zinc/46/42/95/598464295.db2.gz AOWAJLVSRREDLB-LBPRGKRZSA-N 0 3 358.406 -0.421 20 0 FBADHN NC(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737759440 598520567 /nfs/dbraw/zinc/52/05/67/598520567.db2.gz BIXYPSUYTKSGIL-LLVKDONJSA-N 0 3 353.390 -0.006 20 0 FBADHN NC(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737759440 598520566 /nfs/dbraw/zinc/52/05/66/598520566.db2.gz BIXYPSUYTKSGIL-LLVKDONJSA-N 0 3 353.390 -0.006 20 0 FBADHN NC(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737759441 598520583 /nfs/dbraw/zinc/52/05/83/598520583.db2.gz BIXYPSUYTKSGIL-NSHDSACASA-N 0 3 353.390 -0.006 20 0 FBADHN NC(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737759441 598520582 /nfs/dbraw/zinc/52/05/82/598520582.db2.gz BIXYPSUYTKSGIL-NSHDSACASA-N 0 3 353.390 -0.006 20 0 FBADHN NC(=O)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737760700 598519517 /nfs/dbraw/zinc/51/95/17/598519517.db2.gz QRDBZHFIZVZWIK-LLVKDONJSA-N 0 3 353.390 -0.006 20 0 FBADHN NC(=O)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737760700 598519516 /nfs/dbraw/zinc/51/95/16/598519516.db2.gz QRDBZHFIZVZWIK-LLVKDONJSA-N 0 3 353.390 -0.006 20 0 FBADHN NC(=O)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737760702 598519616 /nfs/dbraw/zinc/51/96/16/598519616.db2.gz QRDBZHFIZVZWIK-NSHDSACASA-N 0 3 353.390 -0.006 20 0 FBADHN NC(=O)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737760702 598519613 /nfs/dbraw/zinc/51/96/13/598519613.db2.gz QRDBZHFIZVZWIK-NSHDSACASA-N 0 3 353.390 -0.006 20 0 FBADHN NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737766780 598377634 /nfs/dbraw/zinc/37/76/34/598377634.db2.gz WLPOJZPFIPENPS-LLVKDONJSA-N 0 3 351.436 -0.128 20 0 FBADHN NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737766780 598377633 /nfs/dbraw/zinc/37/76/33/598377633.db2.gz WLPOJZPFIPENPS-LLVKDONJSA-N 0 3 351.436 -0.128 20 0 FBADHN NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737766781 598377601 /nfs/dbraw/zinc/37/76/01/598377601.db2.gz WLPOJZPFIPENPS-NSHDSACASA-N 0 3 351.436 -0.128 20 0 FBADHN NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737766781 598377599 /nfs/dbraw/zinc/37/75/99/598377599.db2.gz WLPOJZPFIPENPS-NSHDSACASA-N 0 3 351.436 -0.128 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCNc1cc[nH+]cc1 ZINC000737888439 598403278 /nfs/dbraw/zinc/40/32/78/598403278.db2.gz CGNZKHBAOCZEAH-UHFFFAOYSA-N 0 3 366.385 -0.358 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCNc1cc[nH+]cc1 ZINC000737888439 598403277 /nfs/dbraw/zinc/40/32/77/598403277.db2.gz CGNZKHBAOCZEAH-UHFFFAOYSA-N 0 3 366.385 -0.358 20 0 FBADHN O=C(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCc1ccco1 ZINC000737894796 598521697 /nfs/dbraw/zinc/52/16/97/598521697.db2.gz KAWCKDOWLXKVCV-JTQLQIEISA-N 0 3 357.378 -0.396 20 0 FBADHN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCc1ccco1 ZINC000737894797 598521818 /nfs/dbraw/zinc/52/18/18/598521818.db2.gz KAWCKDOWLXKVCV-SNVBAGLBSA-N 0 3 357.378 -0.396 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000738041234 598405207 /nfs/dbraw/zinc/40/52/07/598405207.db2.gz YDXVKNOKHRDKEL-AWEZNQCLSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738041234 598405205 /nfs/dbraw/zinc/40/52/05/598405205.db2.gz YDXVKNOKHRDKEL-AWEZNQCLSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000738041234 598405203 /nfs/dbraw/zinc/40/52/03/598405203.db2.gz YDXVKNOKHRDKEL-AWEZNQCLSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738041234 598405202 /nfs/dbraw/zinc/40/52/02/598405202.db2.gz YDXVKNOKHRDKEL-AWEZNQCLSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000738041235 598405315 /nfs/dbraw/zinc/40/53/15/598405315.db2.gz YDXVKNOKHRDKEL-CQSZACIVSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738041235 598405313 /nfs/dbraw/zinc/40/53/13/598405313.db2.gz YDXVKNOKHRDKEL-CQSZACIVSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000738041235 598405310 /nfs/dbraw/zinc/40/53/10/598405310.db2.gz YDXVKNOKHRDKEL-CQSZACIVSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738041235 598405308 /nfs/dbraw/zinc/40/53/08/598405308.db2.gz YDXVKNOKHRDKEL-CQSZACIVSA-N 0 3 355.402 -0.097 20 0 FBADHN O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738066958 599360158 /nfs/dbraw/zinc/36/01/58/599360158.db2.gz VGSJXSGZSVQLHZ-UHFFFAOYSA-N 0 3 373.417 -0.232 20 0 FBADHN O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738066963 598908498 /nfs/dbraw/zinc/90/84/98/598908498.db2.gz VOWYFBKUVCJTHS-UHFFFAOYSA-N 0 3 373.417 -0.232 20 0 FBADHN O=C(NCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccco1 ZINC000738076372 598520703 /nfs/dbraw/zinc/52/07/03/598520703.db2.gz XTMSZVBQRKFIAS-JTQLQIEISA-N 0 3 357.378 -0.283 20 0 FBADHN O=C(NCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccco1 ZINC000738076372 598520702 /nfs/dbraw/zinc/52/07/02/598520702.db2.gz XTMSZVBQRKFIAS-JTQLQIEISA-N 0 3 357.378 -0.283 20 0 FBADHN O=C(NCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccco1 ZINC000738076376 598520882 /nfs/dbraw/zinc/52/08/82/598520882.db2.gz XTMSZVBQRKFIAS-SNVBAGLBSA-N 0 3 357.378 -0.283 20 0 FBADHN O=C(NCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccco1 ZINC000738076376 598520881 /nfs/dbraw/zinc/52/08/81/598520881.db2.gz XTMSZVBQRKFIAS-SNVBAGLBSA-N 0 3 357.378 -0.283 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738077844 599511888 /nfs/dbraw/zinc/51/18/88/599511888.db2.gz INBVOTJCMBKQNB-UHFFFAOYSA-N 0 3 370.348 -0.011 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738077844 599511887 /nfs/dbraw/zinc/51/18/87/599511887.db2.gz INBVOTJCMBKQNB-UHFFFAOYSA-N 0 3 370.348 -0.011 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738077935 599512085 /nfs/dbraw/zinc/51/20/85/599512085.db2.gz JPKJDQRQGJLEHT-UHFFFAOYSA-N 0 3 352.358 -0.150 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738078080 598271993 /nfs/dbraw/zinc/27/19/93/598271993.db2.gz MQCQJCKCGNAXBL-UHFFFAOYSA-N 0 3 368.405 -0.098 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738078080 598271991 /nfs/dbraw/zinc/27/19/91/598271991.db2.gz MQCQJCKCGNAXBL-UHFFFAOYSA-N 0 3 368.405 -0.098 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738078510 598269561 /nfs/dbraw/zinc/26/95/61/598269561.db2.gz RACJHSIGNFJTLP-UHFFFAOYSA-N 0 3 368.405 -0.098 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738078510 598269559 /nfs/dbraw/zinc/26/95/59/598269559.db2.gz RACJHSIGNFJTLP-UHFFFAOYSA-N 0 3 368.405 -0.098 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738078586 599512046 /nfs/dbraw/zinc/51/20/46/599512046.db2.gz SIRZGTWKJAUESS-UHFFFAOYSA-N 0 3 352.358 -0.150 20 0 FBADHN CC(C)N1C(=O)CN(CN2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000738159814 660541342 /nfs/dbraw/zinc/54/13/42/660541342.db2.gz DYHMYUKSOCKHFQ-UHFFFAOYSA-N 0 3 351.451 -0.144 20 0 FBADHN O=C1NC(=O)C2(CC[NH+](CCOc3ccccc3-c3nnn[n-]3)CC2)N1 ZINC000738314717 598568480 /nfs/dbraw/zinc/56/84/80/598568480.db2.gz DBPJJOAUNGDBGE-UHFFFAOYSA-N 0 3 357.374 -0.081 20 0 FBADHN COCCN(CCO)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000738323272 660542796 /nfs/dbraw/zinc/54/27/96/660542796.db2.gz DTFRVFWLRZMSDL-UHFFFAOYSA-N 0 3 356.423 -0.397 20 0 FBADHN O[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738380837 598351310 /nfs/dbraw/zinc/35/13/10/598351310.db2.gz IBKJLZPRCDGIIS-CHWSQXEVSA-N 0 3 356.390 -0.198 20 0 FBADHN O[C@@H](C[NH2+][C@@H]1CCc2ncnn2C1)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738380839 598351306 /nfs/dbraw/zinc/35/13/06/598351306.db2.gz IBKJLZPRCDGIIS-OLZOCXBDSA-N 0 3 356.390 -0.198 20 0 FBADHN O[C@H](C[NH2+][C@H]1CCc2ncnn2C1)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738380841 598350546 /nfs/dbraw/zinc/35/05/46/598350546.db2.gz IBKJLZPRCDGIIS-QWHCGFSZSA-N 0 3 356.390 -0.198 20 0 FBADHN O[C@@H](C[NH2+][C@H]1CCc2ncnn2C1)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738380844 598350582 /nfs/dbraw/zinc/35/05/82/598350582.db2.gz IBKJLZPRCDGIIS-STQMWFEESA-N 0 3 356.390 -0.198 20 0 FBADHN OCCN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738394598 598347958 /nfs/dbraw/zinc/34/79/58/598347958.db2.gz XGPYQFMZEKEORT-CABCVRRESA-N 0 3 362.434 -0.347 20 0 FBADHN OCCN1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738394600 598347837 /nfs/dbraw/zinc/34/78/37/598347837.db2.gz XGPYQFMZEKEORT-GJZGRUSLSA-N 0 3 362.434 -0.347 20 0 FBADHN OCCN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738394825 598348185 /nfs/dbraw/zinc/34/81/85/598348185.db2.gz XGPYQFMZEKEORT-HUUCEWRRSA-N 0 3 362.434 -0.347 20 0 FBADHN OCCN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738394826 598348389 /nfs/dbraw/zinc/34/83/89/598348389.db2.gz XGPYQFMZEKEORT-LSDHHAIUSA-N 0 3 362.434 -0.347 20 0 FBADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCc1nnc3ccccn31)C2 ZINC000738445073 598519711 /nfs/dbraw/zinc/51/97/11/598519711.db2.gz BYEWKAAXOMISSY-LLVKDONJSA-N 0 3 365.405 -0.020 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCc1nnc3ccccn31)C2 ZINC000738445073 598519709 /nfs/dbraw/zinc/51/97/09/598519709.db2.gz BYEWKAAXOMISSY-LLVKDONJSA-N 0 3 365.405 -0.020 20 0 FBADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCc1nnc3ccccn31)C2 ZINC000738445076 598519478 /nfs/dbraw/zinc/51/94/78/598519478.db2.gz BYEWKAAXOMISSY-NSHDSACASA-N 0 3 365.405 -0.020 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCc1nnc3ccccn31)C2 ZINC000738445076 598519477 /nfs/dbraw/zinc/51/94/77/598519477.db2.gz BYEWKAAXOMISSY-NSHDSACASA-N 0 3 365.405 -0.020 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C[C@H]1CN3CCC[C@H]3CO1)C2 ZINC000738450825 598531373 /nfs/dbraw/zinc/53/13/73/598531373.db2.gz XVYNFTPJACGSDF-AVGNSLFASA-N 0 3 359.438 -0.442 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000738450826 598531522 /nfs/dbraw/zinc/53/15/22/598531522.db2.gz XVYNFTPJACGSDF-RWMBFGLXSA-N 0 3 359.438 -0.442 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000738450828 598531607 /nfs/dbraw/zinc/53/16/07/598531607.db2.gz XVYNFTPJACGSDF-XQQFMLRXSA-N 0 3 359.438 -0.442 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC000738450831 598531746 /nfs/dbraw/zinc/53/17/46/598531746.db2.gz XVYNFTPJACGSDF-YNEHKIRRSA-N 0 3 359.438 -0.442 20 0 FBADHN c1nn2cc(CNC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453679 598286417 /nfs/dbraw/zinc/28/64/17/598286417.db2.gz YKBDKBZTTLBWNC-CHWSQXEVSA-N 0 3 355.406 -0.138 20 0 FBADHN c1nn2cc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453679 598286416 /nfs/dbraw/zinc/28/64/16/598286416.db2.gz YKBDKBZTTLBWNC-CHWSQXEVSA-N 0 3 355.406 -0.138 20 0 FBADHN c1nn2cc(CNC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453684 598286401 /nfs/dbraw/zinc/28/64/01/598286401.db2.gz YKBDKBZTTLBWNC-OLZOCXBDSA-N 0 3 355.406 -0.138 20 0 FBADHN c1nn2cc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453684 598286400 /nfs/dbraw/zinc/28/64/00/598286400.db2.gz YKBDKBZTTLBWNC-OLZOCXBDSA-N 0 3 355.406 -0.138 20 0 FBADHN c1nn2cc(CNC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453688 598286533 /nfs/dbraw/zinc/28/65/33/598286533.db2.gz YKBDKBZTTLBWNC-QWHCGFSZSA-N 0 3 355.406 -0.138 20 0 FBADHN c1nn2cc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453688 598286532 /nfs/dbraw/zinc/28/65/32/598286532.db2.gz YKBDKBZTTLBWNC-QWHCGFSZSA-N 0 3 355.406 -0.138 20 0 FBADHN c1nn2cc(CNC[C@H]3C[N@H+]4CCC[C@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453693 598286567 /nfs/dbraw/zinc/28/65/67/598286567.db2.gz YKBDKBZTTLBWNC-STQMWFEESA-N 0 3 355.406 -0.138 20 0 FBADHN c1nn2cc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cnc2c1-c1nnn[n-]1 ZINC000738453693 598286565 /nfs/dbraw/zinc/28/65/65/598286565.db2.gz YKBDKBZTTLBWNC-STQMWFEESA-N 0 3 355.406 -0.138 20 0 FBADHN CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739735901 602618590 /nfs/dbraw/zinc/61/85/90/602618590.db2.gz WCSBMQOUVDYOLO-AWEZNQCLSA-N 0 3 356.471 -0.783 20 0 FBADHN CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739735901 602618588 /nfs/dbraw/zinc/61/85/88/602618588.db2.gz WCSBMQOUVDYOLO-AWEZNQCLSA-N 0 3 356.471 -0.783 20 0 FBADHN CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739735904 602618736 /nfs/dbraw/zinc/61/87/36/602618736.db2.gz WCSBMQOUVDYOLO-CQSZACIVSA-N 0 3 356.471 -0.783 20 0 FBADHN CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCCN1CCN(C(=O)[O-])CC1 ZINC000739735904 602618734 /nfs/dbraw/zinc/61/87/34/602618734.db2.gz WCSBMQOUVDYOLO-CQSZACIVSA-N 0 3 356.471 -0.783 20 0 FBADHN CN(C1CCOCC1)S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000739958462 660551601 /nfs/dbraw/zinc/55/16/01/660551601.db2.gz RJRLNWZFKHEQPG-UHFFFAOYSA-N 0 3 374.507 -0.418 20 0 FBADHN COC(=O)C[C@@H]1CSCCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000740856202 660559597 /nfs/dbraw/zinc/55/95/97/660559597.db2.gz OXCYDIRQOQZZNB-GFCCVEGCSA-N 0 3 370.475 -0.059 20 0 FBADHN COC(=O)C[C@H]1CSCCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000740856203 660559504 /nfs/dbraw/zinc/55/95/04/660559504.db2.gz OXCYDIRQOQZZNB-LBPRGKRZSA-N 0 3 370.475 -0.059 20 0 FBADHN CCOC(=O)[C@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCO1 ZINC000741243043 660562127 /nfs/dbraw/zinc/56/21/27/660562127.db2.gz SWMCCKYVRWHPSR-GFCCVEGCSA-N 0 3 354.407 -0.776 20 0 FBADHN CCOC(=O)[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCO1 ZINC000741243046 660562087 /nfs/dbraw/zinc/56/20/87/660562087.db2.gz SWMCCKYVRWHPSR-LBPRGKRZSA-N 0 3 354.407 -0.776 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)NCCCCN2CCN(C)CC2)CCO1 ZINC000741267396 660562757 /nfs/dbraw/zinc/56/27/57/660562757.db2.gz AYIOWUIRABXNLG-HNNXBMFYSA-N 0 3 356.467 -0.013 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)NCCCCN2CCN(C)CC2)CCO1 ZINC000741267397 660562850 /nfs/dbraw/zinc/56/28/50/660562850.db2.gz AYIOWUIRABXNLG-OAHLLOKOSA-N 0 3 356.467 -0.013 20 0 FBADHN CCOC(=O)N1CCN(S(=O)(=O)NCCN(C)CCCOC)CC1 ZINC000742312614 660569068 /nfs/dbraw/zinc/56/90/68/660569068.db2.gz IYFNXFZNLZZTFB-UHFFFAOYSA-N 0 3 366.484 -0.437 20 0 FBADHN CS(=O)(=O)CCn1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000743206096 660572905 /nfs/dbraw/zinc/57/29/05/660572905.db2.gz BTEMTYWWVBLHQM-CHWSQXEVSA-N 0 3 371.463 -0.088 20 0 FBADHN CS(=O)(=O)CCn1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000743206097 660572960 /nfs/dbraw/zinc/57/29/60/660572960.db2.gz BTEMTYWWVBLHQM-OLZOCXBDSA-N 0 3 371.463 -0.088 20 0 FBADHN CS(=O)(=O)CCn1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000743206098 660572902 /nfs/dbraw/zinc/57/29/02/660572902.db2.gz BTEMTYWWVBLHQM-QWHCGFSZSA-N 0 3 371.463 -0.088 20 0 FBADHN CS(=O)(=O)CCn1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000743206099 660572923 /nfs/dbraw/zinc/57/29/23/660572923.db2.gz BTEMTYWWVBLHQM-STQMWFEESA-N 0 3 371.463 -0.088 20 0 FBADHN COCCN(CCN(C)C)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743209181 660573344 /nfs/dbraw/zinc/57/33/44/660573344.db2.gz DSQWNFRAOWANPF-UHFFFAOYSA-N 0 3 361.468 -0.030 20 0 FBADHN CCOC(=O)C(=O)N1CCN(C(=O)CCN2CCN(CC)CC2)CC1 ZINC000743419998 660573629 /nfs/dbraw/zinc/57/36/29/660573629.db2.gz RYMLWBHYEWOWIF-UHFFFAOYSA-N 0 3 354.451 -0.752 20 0 FBADHN CC(C)[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000743586923 660574105 /nfs/dbraw/zinc/57/41/05/660574105.db2.gz KQGBTHFBVHBHRX-CYBMUJFWSA-N 0 3 356.448 -0.025 20 0 FBADHN CC(C)[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000743586924 660574138 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FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCO1 ZINC000793700682 660922714 /nfs/dbraw/zinc/92/27/14/660922714.db2.gz OJHJLDYDCFBERC-ZFWWWQNUSA-N 0 3 354.451 -0.660 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793701785 660922707 /nfs/dbraw/zinc/92/27/07/660922707.db2.gz PDWRCHVHYZDHFK-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793701788 660922701 /nfs/dbraw/zinc/92/27/01/660922701.db2.gz PDWRCHVHYZDHFK-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793701789 660922843 /nfs/dbraw/zinc/92/28/43/660922843.db2.gz PDWRCHVHYZDHFK-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793701791 660923075 /nfs/dbraw/zinc/92/30/75/660923075.db2.gz PDWRCHVHYZDHFK-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793702417 660922992 /nfs/dbraw/zinc/92/29/92/660922992.db2.gz QHDIWJLMLYLTQD-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793702419 660922903 /nfs/dbraw/zinc/92/29/03/660922903.db2.gz QHDIWJLMLYLTQD-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793702421 660922910 /nfs/dbraw/zinc/92/29/10/660922910.db2.gz QHDIWJLMLYLTQD-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793702423 660923118 /nfs/dbraw/zinc/92/31/18/660923118.db2.gz QHDIWJLMLYLTQD-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793703154 660922850 /nfs/dbraw/zinc/92/28/50/660922850.db2.gz WTLHKEHCUFIPFO-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793703157 660922969 /nfs/dbraw/zinc/92/29/69/660922969.db2.gz WTLHKEHCUFIPFO-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793703160 660923054 /nfs/dbraw/zinc/92/30/54/660923054.db2.gz WTLHKEHCUFIPFO-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793703162 660923019 /nfs/dbraw/zinc/92/30/19/660923019.db2.gz WTLHKEHCUFIPFO-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793703526 660922950 /nfs/dbraw/zinc/92/29/50/660922950.db2.gz XPHXDXGSPLHRLO-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793703527 660923047 /nfs/dbraw/zinc/92/30/47/660923047.db2.gz XPHXDXGSPLHRLO-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)N1CCCCC1 ZINC000793705724 660923128 /nfs/dbraw/zinc/92/31/28/660923128.db2.gz BKENTRHZWSAHOH-KBPBESRZSA-N 0 3 353.467 -0.116 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)N1CCCCC1 ZINC000793705731 660923011 /nfs/dbraw/zinc/92/30/11/660923011.db2.gz BKENTRHZWSAHOH-KGLIPLIRSA-N 0 3 353.467 -0.116 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)N1CCCCC1 ZINC000793705733 660923071 /nfs/dbraw/zinc/92/30/71/660923071.db2.gz BKENTRHZWSAHOH-UONOGXRCSA-N 0 3 353.467 -0.116 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)N1CCCCC1 ZINC000793705735 660922873 /nfs/dbraw/zinc/92/28/73/660922873.db2.gz BKENTRHZWSAHOH-ZIAGYGMSSA-N 0 3 353.467 -0.116 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)N1CCCCC1 ZINC000793707126 660923084 /nfs/dbraw/zinc/92/30/84/660923084.db2.gz DOKQPXKILQKRPF-HNNXBMFYSA-N 0 3 352.479 -0.042 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)N1CCCCC1 ZINC000793707130 660923007 /nfs/dbraw/zinc/92/30/07/660923007.db2.gz DOKQPXKILQKRPF-OAHLLOKOSA-N 0 3 352.479 -0.042 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)N1CCCCC1 ZINC000793709500 660923099 /nfs/dbraw/zinc/92/30/99/660923099.db2.gz OMFAVZKGHHYPKQ-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)N1CCCCC1 ZINC000793709503 660923041 /nfs/dbraw/zinc/92/30/41/660923041.db2.gz OMFAVZKGHHYPKQ-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)N1CCCCC1 ZINC000793714021 660923104 /nfs/dbraw/zinc/92/31/04/660923104.db2.gz OAKAMOOFPCWNBO-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)N1CCCCC1 ZINC000793714023 660922917 /nfs/dbraw/zinc/92/29/17/660922917.db2.gz OAKAMOOFPCWNBO-ZDUSSCGKSA-N 0 3 360.480 -0.919 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)N1CCCCC1 ZINC000793727428 660923095 /nfs/dbraw/zinc/92/30/95/660923095.db2.gz SZLFUEQNAXJSPZ-HNNXBMFYSA-N 0 3 354.495 -0.108 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)N1CCCCC1 ZINC000793727432 660923124 /nfs/dbraw/zinc/92/31/24/660923124.db2.gz SZLFUEQNAXJSPZ-OAHLLOKOSA-N 0 3 354.495 -0.108 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000793815413 660923635 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COCCCN(C(=O)C1=NN(CCO)C(=O)CC1)C1CCN(C)CC1 ZINC000794051392 660926928 /nfs/dbraw/zinc/92/69/28/660926928.db2.gz PQGSVBYEEZRPQI-UHFFFAOYSA-N 0 3 354.451 -0.084 20 0 FBADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000794531002 660933892 /nfs/dbraw/zinc/93/38/92/660933892.db2.gz XXYJJJDZVLGNCQ-BDJLRTHQSA-N 0 3 356.423 -0.064 20 0 FBADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000794531004 660933760 /nfs/dbraw/zinc/93/37/60/660933760.db2.gz XXYJJJDZVLGNCQ-BZNIZROVSA-N 0 3 356.423 -0.064 20 0 FBADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000794531006 660933860 /nfs/dbraw/zinc/93/38/60/660933860.db2.gz XXYJJJDZVLGNCQ-MEDUHNTESA-N 0 3 356.423 -0.064 20 0 FBADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000794531008 660933885 /nfs/dbraw/zinc/93/38/85/660933885.db2.gz XXYJJJDZVLGNCQ-ZBEGNZNMSA-N 0 3 356.423 -0.064 20 0 FBADHN CON(C)C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000794617015 660934839 /nfs/dbraw/zinc/93/48/39/660934839.db2.gz IWCWFOYTCNOVSD-AWEZNQCLSA-N 0 3 354.451 -0.345 20 0 FBADHN CON(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000794617017 660934847 /nfs/dbraw/zinc/93/48/47/660934847.db2.gz IWCWFOYTCNOVSD-CQSZACIVSA-N 0 3 354.451 -0.345 20 0 FBADHN C[C@H]1OCC[C@@]12CN(CN1C(=O)NC3(CCN(C)CC3)C1=O)CCO2 ZINC000794667642 660935495 /nfs/dbraw/zinc/93/54/95/660935495.db2.gz ZQRGTGPIOPRCMI-CXAGYDPISA-N 0 3 352.435 -0.160 20 0 FBADHN C[C@H]1OCC[C@]12CN(CN1C(=O)NC3(CCN(C)CC3)C1=O)CCO2 ZINC000794667643 660935435 /nfs/dbraw/zinc/93/54/35/660935435.db2.gz ZQRGTGPIOPRCMI-DYVFJYSZSA-N 0 3 352.435 -0.160 20 0 FBADHN C[C@@H]1OCC[C@]12CN(CN1C(=O)NC3(CCN(C)CC3)C1=O)CCO2 ZINC000794667644 660935378 /nfs/dbraw/zinc/93/53/78/660935378.db2.gz ZQRGTGPIOPRCMI-GUYCJALGSA-N 0 3 352.435 -0.160 20 0 FBADHN C[C@@H]1OCC[C@@]12CN(CN1C(=O)NC3(CCN(C)CC3)C1=O)CCO2 ZINC000794667645 660935509 /nfs/dbraw/zinc/93/55/09/660935509.db2.gz ZQRGTGPIOPRCMI-SUMWQHHRSA-N 0 3 352.435 -0.160 20 0 FBADHN C[C@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@]2(CCOC2)O1 ZINC000794708122 660935555 /nfs/dbraw/zinc/93/55/55/660935555.db2.gz XRDWQUSAIGDNBV-BBRMVZONSA-N 0 3 352.435 -0.160 20 0 FBADHN C[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@]2(CCOC2)O1 ZINC000794708123 660935467 /nfs/dbraw/zinc/93/54/67/660935467.db2.gz XRDWQUSAIGDNBV-CJNGLKHVSA-N 0 3 352.435 -0.160 20 0 FBADHN C[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@@]2(CCOC2)O1 ZINC000794708124 660935451 /nfs/dbraw/zinc/93/54/51/660935451.db2.gz XRDWQUSAIGDNBV-CZUORRHYSA-N 0 3 352.435 -0.160 20 0 FBADHN C[C@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@@]2(CCOC2)O1 ZINC000794708125 660935559 /nfs/dbraw/zinc/93/55/59/660935559.db2.gz XRDWQUSAIGDNBV-XJKSGUPXSA-N 0 3 352.435 -0.160 20 0 FBADHN COc1cnccc1N1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000795026908 660936509 /nfs/dbraw/zinc/93/65/09/660936509.db2.gz KHUVGEGIWKFACE-UHFFFAOYSA-N 0 3 373.504 -0.364 20 0 FBADHN C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)C[C@@H]2CCCOC2)cn1 ZINC000795329484 660939363 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COC(=O)N1CCC(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000804684981 657247192 /nfs/dbraw/zinc/24/71/92/657247192.db2.gz DGABGYWHKCMWRS-AWEZNQCLSA-N 0 3 354.451 -0.009 20 0 FBADHN COC(=O)N1CCC(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000804684983 657247506 /nfs/dbraw/zinc/24/75/06/657247506.db2.gz DGABGYWHKCMWRS-CQSZACIVSA-N 0 3 354.451 -0.009 20 0 FBADHN CCOC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804729711 657255953 /nfs/dbraw/zinc/25/59/53/657255953.db2.gz PWIWGXAJJQSOHS-AWEZNQCLSA-N 0 3 352.435 -0.112 20 0 FBADHN CCOC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804729712 657256032 /nfs/dbraw/zinc/25/60/32/657256032.db2.gz PWIWGXAJJQSOHS-CQSZACIVSA-N 0 3 352.435 -0.112 20 0 FBADHN CC[S@](=O)CCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000804736847 657256600 /nfs/dbraw/zinc/25/66/00/657256600.db2.gz BLKNKRGHMUPJDI-DEOSSOPVSA-N 0 3 359.492 -0.368 20 0 FBADHN CC[S@@](=O)CCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000804736848 657256392 /nfs/dbraw/zinc/25/63/92/657256392.db2.gz BLKNKRGHMUPJDI-XMMPIXPASA-N 0 3 359.492 -0.368 20 0 FBADHN CC(=O)OCCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000804987311 660620751 /nfs/dbraw/zinc/62/07/51/660620751.db2.gz ZUVZLLIXOOPSCA-UHFFFAOYSA-N 0 3 361.464 -0.491 20 0 FBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCCOC(C)=O)CC1 ZINC000804989080 660622761 /nfs/dbraw/zinc/62/27/61/660622761.db2.gz CZGWYIUZBOCDLC-UHFFFAOYSA-N 0 3 363.480 -0.245 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCC[S@](C)=O)CC1 ZINC000804997783 660629576 /nfs/dbraw/zinc/62/95/76/660629576.db2.gz RUKYCNWPOGAGPA-DEOSSOPVSA-N 0 3 354.432 -0.767 20 0 FBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCC[S@@](C)=O)CC1 ZINC000804997784 660629587 /nfs/dbraw/zinc/62/95/87/660629587.db2.gz RUKYCNWPOGAGPA-XMMPIXPASA-N 0 3 354.432 -0.767 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)[C@H](C)C1 ZINC000805074054 660661098 /nfs/dbraw/zinc/66/10/98/660661098.db2.gz DNIHXLVPKRWQOM-ILXRZTDVSA-N 0 3 374.507 -0.085 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000805074056 660661265 /nfs/dbraw/zinc/66/12/65/660661265.db2.gz DNIHXLVPKRWQOM-KFWWJZLASA-N 0 3 374.507 -0.085 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H](C)C1 ZINC000805074058 660661206 /nfs/dbraw/zinc/66/12/06/660661206.db2.gz DNIHXLVPKRWQOM-QLFBSQMISA-N 0 3 374.507 -0.085 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000805074060 660661217 /nfs/dbraw/zinc/66/12/17/660661217.db2.gz DNIHXLVPKRWQOM-RBSFLKMASA-N 0 3 374.507 -0.085 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000805074490 660661594 /nfs/dbraw/zinc/66/15/94/660661594.db2.gz KPAAKSQRGJELFP-ILXRZTDVSA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000805074491 660661519 /nfs/dbraw/zinc/66/15/19/660661519.db2.gz KPAAKSQRGJELFP-KFWWJZLASA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000805074492 660661453 /nfs/dbraw/zinc/66/14/53/660661453.db2.gz KPAAKSQRGJELFP-QLFBSQMISA-N 0 3 374.507 -0.037 20 0 FBADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000805074493 660661540 /nfs/dbraw/zinc/66/15/40/660661540.db2.gz KPAAKSQRGJELFP-RBSFLKMASA-N 0 3 374.507 -0.037 20 0 FBADHN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000805075262 660661926 /nfs/dbraw/zinc/66/19/26/660661926.db2.gz VUBVQCZLIUSVKC-QLFBSQMISA-N 0 3 374.507 -0.085 20 0 FBADHN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000805075263 660661787 /nfs/dbraw/zinc/66/17/87/660661787.db2.gz VUBVQCZLIUSVKC-RBSFLKMASA-N 0 3 374.507 -0.085 20 0 FBADHN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000805075264 660661818 /nfs/dbraw/zinc/66/18/18/660661818.db2.gz VUBVQCZLIUSVKC-RRFJBIMHSA-N 0 3 374.507 -0.085 20 0 FBADHN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000805075265 660661897 /nfs/dbraw/zinc/66/18/97/660661897.db2.gz VUBVQCZLIUSVKC-SOUVJXGZSA-N 0 3 374.507 -0.085 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCc2nonc2C)CC1 ZINC000805158859 660682326 /nfs/dbraw/zinc/68/23/26/660682326.db2.gz DAIRVTMIPHDCIP-UHFFFAOYSA-N 0 3 353.423 0.000 20 0 FBADHN CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000805610012 660828187 /nfs/dbraw/zinc/82/81/87/660828187.db2.gz WTQGZYOZLJDUPZ-RUZDIDTESA-N 0 3 368.459 -0.376 20 0 FBADHN CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000805610017 660828165 /nfs/dbraw/zinc/82/81/65/660828165.db2.gz WTQGZYOZLJDUPZ-VWLOTQADSA-N 0 3 368.459 -0.376 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806190529 660974402 /nfs/dbraw/zinc/97/44/02/660974402.db2.gz FVSAXUGLGWNKCF-RUZDIDTESA-N 0 3 374.551 -0.254 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806190534 660974350 /nfs/dbraw/zinc/97/43/50/660974350.db2.gz FVSAXUGLGWNKCF-VWLOTQADSA-N 0 3 374.551 -0.254 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1(C)C ZINC000806194474 660974574 /nfs/dbraw/zinc/97/45/74/660974574.db2.gz ZXUCDXHTOFUSMY-RUZDIDTESA-N 0 3 374.551 -0.208 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1(C)C ZINC000806194476 660974597 /nfs/dbraw/zinc/97/45/97/660974597.db2.gz ZXUCDXHTOFUSMY-VWLOTQADSA-N 0 3 374.551 -0.208 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806376739 660975395 /nfs/dbraw/zinc/97/53/95/660975395.db2.gz ZZCUWRWIIXVUBP-AWEZNQCLSA-N 0 3 357.451 -0.175 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806376740 660975341 /nfs/dbraw/zinc/97/53/41/660975341.db2.gz ZZCUWRWIIXVUBP-CQSZACIVSA-N 0 3 357.451 -0.175 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCC2(C)OCCO2)CC1(C)C ZINC000806377777 660975628 /nfs/dbraw/zinc/97/56/28/660975628.db2.gz SBWXAZRXODNFFQ-UHFFFAOYSA-N 0 3 356.467 -0.602 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccon2)CC1 ZINC000806398040 660975778 /nfs/dbraw/zinc/97/57/78/660975778.db2.gz XDHXLTJYWYGBKX-UHFFFAOYSA-N 0 3 351.407 -0.697 20 0 FBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=S)NC2CCN(C)CC2)C1 ZINC000806594403 660976881 /nfs/dbraw/zinc/97/68/81/660976881.db2.gz RCKJAKXJJYVHOM-CYBMUJFWSA-N 0 3 363.553 -0.185 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806652999 660977216 /nfs/dbraw/zinc/97/72/16/660977216.db2.gz SCEZSXUPIBCHFR-UHFFFAOYSA-N 0 3 356.467 -0.650 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806655281 660977494 /nfs/dbraw/zinc/97/74/94/660977494.db2.gz MNXFTWLKODPRAD-AWEZNQCLSA-N 0 3 357.451 -0.177 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806655282 660977537 /nfs/dbraw/zinc/97/75/37/660977537.db2.gz MNXFTWLKODPRAD-CQSZACIVSA-N 0 3 357.451 -0.177 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NC2COC(C)(C)OC2)CC1(C)C ZINC000806656664 660977576 /nfs/dbraw/zinc/97/75/76/660977576.db2.gz QJNGLCOWBRGMGH-UHFFFAOYSA-N 0 3 356.467 -0.604 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806687476 660977701 /nfs/dbraw/zinc/97/77/01/660977701.db2.gz MANOKGWJSLSZML-AWEZNQCLSA-N 0 3 357.451 -0.127 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806687477 660977797 /nfs/dbraw/zinc/97/77/97/660977797.db2.gz MANOKGWJSLSZML-CQSZACIVSA-N 0 3 357.451 -0.127 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806689532 657259586 /nfs/dbraw/zinc/25/95/86/657259586.db2.gz NVPVEULMEQWHDD-AWEZNQCLSA-N 0 3 357.451 -0.175 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806689533 657260402 /nfs/dbraw/zinc/26/04/02/657260402.db2.gz NVPVEULMEQWHDD-CQSZACIVSA-N 0 3 357.451 -0.175 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806709616 660978728 /nfs/dbraw/zinc/97/87/28/660978728.db2.gz ISRPGWWBZWZJMK-AWEZNQCLSA-N 0 3 355.435 -0.423 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806709617 660978785 /nfs/dbraw/zinc/97/87/85/660978785.db2.gz ISRPGWWBZWZJMK-CQSZACIVSA-N 0 3 355.435 -0.423 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806715753 660979229 /nfs/dbraw/zinc/97/92/29/660979229.db2.gz LHTKOVWVQGFDPS-AWEZNQCLSA-N 0 3 355.435 -0.421 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806715755 660979177 /nfs/dbraw/zinc/97/91/77/660979177.db2.gz LHTKOVWVQGFDPS-CQSZACIVSA-N 0 3 355.435 -0.421 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806716907 660979486 /nfs/dbraw/zinc/97/94/86/660979486.db2.gz IIKDLFDTFYGWQN-AWEZNQCLSA-N 0 3 357.451 -0.177 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806716908 660979532 /nfs/dbraw/zinc/97/95/32/660979532.db2.gz IIKDLFDTFYGWQN-CQSZACIVSA-N 0 3 357.451 -0.177 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806717067 660979517 /nfs/dbraw/zinc/97/95/17/660979517.db2.gz LFTKILXDQZWYAU-KBPBESRZSA-N 0 3 355.435 -0.375 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806717068 660979548 /nfs/dbraw/zinc/97/95/48/660979548.db2.gz LFTKILXDQZWYAU-KGLIPLIRSA-N 0 3 355.435 -0.375 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 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/nfs/dbraw/zinc/06/72/89/661067289.db2.gz FBTMPQAFYUUYMU-SFHVURJKSA-N 0 3 369.531 -0.158 20 0 FBADHN O=S(=O)(CCNC[C@H](O)CN1CCOCC1)CCc1ccccc1 ZINC000819292379 661067240 /nfs/dbraw/zinc/06/72/40/661067240.db2.gz TVKCTSSHKKAOAI-KRWDZBQOSA-N 0 3 356.488 -0.073 20 0 FBADHN O=S(=O)(CCNC[C@@H](O)CN1CCOCC1)CCc1ccccc1 ZINC000819292380 661067157 /nfs/dbraw/zinc/06/71/57/661067157.db2.gz TVKCTSSHKKAOAI-QGZVFWFLSA-N 0 3 356.488 -0.073 20 0 FBADHN CC(C)(C)OC(=O)CS(=O)(=O)CCNC1CC(NS(C)(=O)=O)C1 ZINC000819294827 661067318 /nfs/dbraw/zinc/06/73/18/661067318.db2.gz JQTAOAKDPIEHRW-UHFFFAOYSA-N 0 3 370.493 -0.587 20 0 FBADHN COC(=O)c1cn(CCNC[C@H](O)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000819296700 661067252 /nfs/dbraw/zinc/06/72/52/661067252.db2.gz CTRHEQDODMXGKF-AWEZNQCLSA-N 0 3 368.415 -0.209 20 0 FBADHN COC(=O)c1cn(CCNC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000819296701 661067185 /nfs/dbraw/zinc/06/71/85/661067185.db2.gz CTRHEQDODMXGKF-CQSZACIVSA-N 0 3 368.415 -0.209 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNCCS(=O)(=O)C1CC1 ZINC000819369522 661067432 /nfs/dbraw/zinc/06/74/32/661067432.db2.gz KNIFFSXRNUSPLZ-LLVKDONJSA-N 0 3 352.412 -0.190 20 0 FBADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNCCS(=O)(=O)C1CC1 ZINC000819369528 661067422 /nfs/dbraw/zinc/06/74/22/661067422.db2.gz KNIFFSXRNUSPLZ-NSHDSACASA-N 0 3 352.412 -0.190 20 0 FBADHN CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000819548726 661068288 /nfs/dbraw/zinc/06/82/88/661068288.db2.gz FVCHXGAJXWRMNW-KBPBESRZSA-N 0 3 356.467 -0.280 20 0 FBADHN CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000819548727 661068367 /nfs/dbraw/zinc/06/83/67/661068367.db2.gz FVCHXGAJXWRMNW-KGLIPLIRSA-N 0 3 356.467 -0.280 20 0 FBADHN CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000819548728 661068237 /nfs/dbraw/zinc/06/82/37/661068237.db2.gz FVCHXGAJXWRMNW-UONOGXRCSA-N 0 3 356.467 -0.280 20 0 FBADHN CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000819548729 661068350 /nfs/dbraw/zinc/06/83/50/661068350.db2.gz FVCHXGAJXWRMNW-ZIAGYGMSSA-N 0 3 356.467 -0.280 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819824242 661070470 /nfs/dbraw/zinc/07/04/70/661070470.db2.gz JFLBJMVMDQMPFW-AWEZNQCLSA-N 0 3 358.483 -0.032 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819824247 661070676 /nfs/dbraw/zinc/07/06/76/661070676.db2.gz JFLBJMVMDQMPFW-CQSZACIVSA-N 0 3 358.483 -0.032 20 0 FBADHN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000819825859 661070636 /nfs/dbraw/zinc/07/06/36/661070636.db2.gz YJDWHBQZIZAGAK-KBPBESRZSA-N 0 3 366.443 -0.849 20 0 FBADHN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000819825860 661070530 /nfs/dbraw/zinc/07/05/30/661070530.db2.gz YJDWHBQZIZAGAK-KGLIPLIRSA-N 0 3 366.443 -0.849 20 0 FBADHN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000819825861 661070628 /nfs/dbraw/zinc/07/06/28/661070628.db2.gz YJDWHBQZIZAGAK-UONOGXRCSA-N 0 3 366.443 -0.849 20 0 FBADHN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000819825862 661070578 /nfs/dbraw/zinc/07/05/78/661070578.db2.gz YJDWHBQZIZAGAK-ZIAGYGMSSA-N 0 3 366.443 -0.849 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000819837431 661070600 /nfs/dbraw/zinc/07/06/00/661070600.db2.gz LRVNTXSLHOTIQS-GFCCVEGCSA-N 0 3 358.439 -0.800 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](CO)CN1CCCC1 ZINC000819837432 661070656 /nfs/dbraw/zinc/07/06/56/661070656.db2.gz LRVNTXSLHOTIQS-LBPRGKRZSA-N 0 3 358.439 -0.800 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)C(F)(F)C2(O)CCC2)CC1=O ZINC000819886191 661070804 /nfs/dbraw/zinc/07/08/04/661070804.db2.gz BJIPDUICKLVEIA-GFCCVEGCSA-N 0 3 363.405 -0.168 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)C(F)(F)C2(O)CCC2)CC1=O ZINC000819886192 661070869 /nfs/dbraw/zinc/07/08/69/661070869.db2.gz BJIPDUICKLVEIA-LBPRGKRZSA-N 0 3 363.405 -0.168 20 0 FBADHN O=C(CN1CCCC1)NCC1(NC(=O)CN2CCCC2)CCOCC1 ZINC000819971955 661071610 /nfs/dbraw/zinc/07/16/10/661071610.db2.gz RPGVRXHMWBDVJS-UHFFFAOYSA-N 0 3 352.479 -0.040 20 0 FBADHN CC(C)(CCS(C)(=O)=O)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000819981374 661072015 /nfs/dbraw/zinc/07/20/15/661072015.db2.gz TWSIZSCRTUXFSU-JTQLQIEISA-N 0 3 368.467 -0.092 20 0 FBADHN CC(C)(CCS(C)(=O)=O)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000819981374 661072011 /nfs/dbraw/zinc/07/20/11/661072011.db2.gz TWSIZSCRTUXFSU-JTQLQIEISA-N 0 3 368.467 -0.092 20 0 FBADHN CC(C)(CCS(C)(=O)=O)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000819981377 661072074 /nfs/dbraw/zinc/07/20/74/661072074.db2.gz TWSIZSCRTUXFSU-SNVBAGLBSA-N 0 3 368.467 -0.092 20 0 FBADHN CC(C)(CCS(C)(=O)=O)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000819981377 661072072 /nfs/dbraw/zinc/07/20/72/661072072.db2.gz TWSIZSCRTUXFSU-SNVBAGLBSA-N 0 3 368.467 -0.092 20 0 FBADHN CN1C(=O)CS/C1=C\C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000820035323 661072476 /nfs/dbraw/zinc/07/24/76/661072476.db2.gz JWOIBXLHIHSWEP-ATTDUZETSA-N 0 3 354.476 -0.444 20 0 FBADHN CN1C(=O)CS/C1=C/C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000820035324 661072431 /nfs/dbraw/zinc/07/24/31/661072431.db2.gz JWOIBXLHIHSWEP-BVTUPMQUSA-N 0 3 354.476 -0.444 20 0 FBADHN CN1C(=O)CS/C1=C/C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000820035325 661072600 /nfs/dbraw/zinc/07/26/00/661072600.db2.gz JWOIBXLHIHSWEP-RKPNYOAGSA-N 0 3 354.476 -0.444 20 0 FBADHN CN1C(=O)CS/C1=C\C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000820035326 661072532 /nfs/dbraw/zinc/07/25/32/661072532.db2.gz JWOIBXLHIHSWEP-YDRQLGOLSA-N 0 3 354.476 -0.444 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC1N=NC(=S)N1C ZINC000820272461 661074835 /nfs/dbraw/zinc/07/48/35/661074835.db2.gz UGSUFALOUDGPIJ-GFCCVEGCSA-N 0 3 355.512 -0.029 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC1N=NC(=S)N1C ZINC000820272463 661074627 /nfs/dbraw/zinc/07/46/27/661074627.db2.gz UGSUFALOUDGPIJ-LBPRGKRZSA-N 0 3 355.512 -0.029 20 0 FBADHN CN(C)CCN1CCN(C(=O)NCCC2N=NC(=S)N2C)CC1=O ZINC000820289543 661074993 /nfs/dbraw/zinc/07/49/93/661074993.db2.gz GTSOXPCDCDZPHP-UHFFFAOYSA-N 0 3 355.468 -0.938 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC1N=NC(=S)N1C ZINC000820290349 661075046 /nfs/dbraw/zinc/07/50/46/661075046.db2.gz RQLBYUHFFPRGKI-UHFFFAOYSA-N 0 3 357.484 -0.692 20 0 FBADHN O=C(NCCC1N=NC(=S)N1C1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000820350839 661075556 /nfs/dbraw/zinc/07/55/56/661075556.db2.gz UNISWCALYLSFFA-NWDGAFQWSA-N 0 3 352.464 -0.095 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1=O ZINC000820676780 599462646 /nfs/dbraw/zinc/46/26/46/599462646.db2.gz OHIYIALHQGKYBG-BLFANLJRSA-N 0 3 357.422 -0.296 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1=O ZINC000820676780 599462642 /nfs/dbraw/zinc/46/26/42/599462642.db2.gz OHIYIALHQGKYBG-BLFANLJRSA-N 0 3 357.422 -0.296 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1=O ZINC000820676786 599463166 /nfs/dbraw/zinc/46/31/66/599463166.db2.gz OHIYIALHQGKYBG-DCQANWLSSA-N 0 3 357.422 -0.296 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1=O ZINC000820676786 599463164 /nfs/dbraw/zinc/46/31/64/599463164.db2.gz OHIYIALHQGKYBG-DCQANWLSSA-N 0 3 357.422 -0.296 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1=O ZINC000820676790 599462623 /nfs/dbraw/zinc/46/26/23/599462623.db2.gz OHIYIALHQGKYBG-UZWSLXQKSA-N 0 3 357.422 -0.296 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1=O ZINC000820676790 599462622 /nfs/dbraw/zinc/46/26/22/599462622.db2.gz OHIYIALHQGKYBG-UZWSLXQKSA-N 0 3 357.422 -0.296 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1=O ZINC000820676792 599463146 /nfs/dbraw/zinc/46/31/46/599463146.db2.gz OHIYIALHQGKYBG-XZUYRWCXSA-N 0 3 357.422 -0.296 20 0 FBADHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1=O ZINC000820676792 599463144 /nfs/dbraw/zinc/46/31/44/599463144.db2.gz OHIYIALHQGKYBG-XZUYRWCXSA-N 0 3 357.422 -0.296 20 0 FBADHN COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccnn2CCN(C)C)C1=O ZINC000820716142 661077582 /nfs/dbraw/zinc/07/75/82/661077582.db2.gz UBXUOSMBSJJHIN-GFCCVEGCSA-N 0 3 351.407 -0.205 20 0 FBADHN COC(=O)[C@H]1CCCN(CC(=O)Nc2ccnn2CCN(C)C)C1=O ZINC000820716143 661077521 /nfs/dbraw/zinc/07/75/21/661077521.db2.gz UBXUOSMBSJJHIN-LBPRGKRZSA-N 0 3 351.407 -0.205 20 0 FBADHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000820774353 606803808 /nfs/dbraw/zinc/80/38/08/606803808.db2.gz BGWDTQRWQBACNK-NOZJJQNGSA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000820774353 606803807 /nfs/dbraw/zinc/80/38/07/606803807.db2.gz BGWDTQRWQBACNK-NOZJJQNGSA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000820774354 606804203 /nfs/dbraw/zinc/80/42/03/606804203.db2.gz BGWDTQRWQBACNK-RNCFNFMXSA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000820774354 606804201 /nfs/dbraw/zinc/80/42/01/606804201.db2.gz BGWDTQRWQBACNK-RNCFNFMXSA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000820774355 606804183 /nfs/dbraw/zinc/80/41/83/606804183.db2.gz BGWDTQRWQBACNK-TVQRCGJNSA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000820774355 606804181 /nfs/dbraw/zinc/80/41/81/606804181.db2.gz BGWDTQRWQBACNK-TVQRCGJNSA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000820774356 606804110 /nfs/dbraw/zinc/80/41/10/606804110.db2.gz BGWDTQRWQBACNK-ZANVPECISA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000820774356 606804108 /nfs/dbraw/zinc/80/41/08/606804108.db2.gz BGWDTQRWQBACNK-ZANVPECISA-N 0 3 351.436 -0.100 20 0 FBADHN C[C@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)N1CCC[C@@H](C)C1 ZINC000820785664 661078274 /nfs/dbraw/zinc/07/82/74/661078274.db2.gz FNDGAFHMSGBYNE-CHWSQXEVSA-N 0 3 355.526 -0.082 20 0 FBADHN C[C@@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)N1CCC[C@@H](C)C1 ZINC000820785665 661078367 /nfs/dbraw/zinc/07/83/67/661078367.db2.gz FNDGAFHMSGBYNE-OLZOCXBDSA-N 0 3 355.526 -0.082 20 0 FBADHN C[C@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)N1CCC[C@H](C)C1 ZINC000820785666 661078326 /nfs/dbraw/zinc/07/83/26/661078326.db2.gz FNDGAFHMSGBYNE-QWHCGFSZSA-N 0 3 355.526 -0.082 20 0 FBADHN C[C@@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)N1CCC[C@H](C)C1 ZINC000820785667 661078249 /nfs/dbraw/zinc/07/82/49/661078249.db2.gz FNDGAFHMSGBYNE-STQMWFEESA-N 0 3 355.526 -0.082 20 0 FBADHN CN(C)S(=O)(=O)CCS(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000820787296 661078289 /nfs/dbraw/zinc/07/82/89/661078289.db2.gz OPTRYGVZTFITMS-UHFFFAOYSA-N 0 3 353.510 -0.328 20 0 FBADHN CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000820788162 661078383 /nfs/dbraw/zinc/07/83/83/661078383.db2.gz YZLGZWQCXYNTOT-CYBMUJFWSA-N 0 3 353.510 -0.232 20 0 FBADHN CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000820788163 661078278 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COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CCCN(CCCO)C2)C1=O ZINC000821051395 661080517 /nfs/dbraw/zinc/08/05/17/661080517.db2.gz BJQLRVNFSNXFQK-ZIAGYGMSSA-N 0 3 355.435 -0.639 20 0 FBADHN O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000821052427 661080641 /nfs/dbraw/zinc/08/06/41/661080641.db2.gz MEACXNHQXNPGSW-BBWFWOEESA-N 0 3 355.479 -0.171 20 0 FBADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000821052428 661080452 /nfs/dbraw/zinc/08/04/52/661080452.db2.gz MEACXNHQXNPGSW-ZACQAIPSSA-N 0 3 355.479 -0.171 20 0 FBADHN COC(=O)[C@H]1CCCN(CC(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000821052552 661080463 /nfs/dbraw/zinc/08/04/63/661080463.db2.gz NVRDHWKEJGVXOL-KBPBESRZSA-N 0 3 355.435 -0.639 20 0 FBADHN COC(=O)[C@H]1CCCN(CC(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000821052553 661080589 /nfs/dbraw/zinc/08/05/89/661080589.db2.gz NVRDHWKEJGVXOL-KGLIPLIRSA-N 0 3 355.435 -0.639 20 0 FBADHN COC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000821052554 661080558 /nfs/dbraw/zinc/08/05/58/661080558.db2.gz NVRDHWKEJGVXOL-UONOGXRCSA-N 0 3 355.435 -0.639 20 0 FBADHN COC(=O)[C@@H]1CCCN(CC(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000821052555 661080923 /nfs/dbraw/zinc/08/09/23/661080923.db2.gz NVRDHWKEJGVXOL-ZIAGYGMSSA-N 0 3 355.435 -0.639 20 0 FBADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000821052635 661080912 /nfs/dbraw/zinc/08/09/12/661080912.db2.gz OSVUZFMCAVDCGC-BBWFWOEESA-N 0 3 355.479 -0.171 20 0 FBADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000821052637 661080802 /nfs/dbraw/zinc/08/08/02/661080802.db2.gz OSVUZFMCAVDCGC-ZACQAIPSSA-N 0 3 355.479 -0.171 20 0 FBADHN COC(=O)Cn1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)n1 ZINC000821170839 661081788 /nfs/dbraw/zinc/08/17/88/661081788.db2.gz OVHFNGUUWLNKAT-UHFFFAOYSA-N 0 3 354.411 -0.460 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821285547 606700309 /nfs/dbraw/zinc/70/03/09/606700309.db2.gz LAXQYAJFSCWNDU-MRVPVSSYSA-N 0 3 364.414 -0.729 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821285547 606700307 /nfs/dbraw/zinc/70/03/07/606700307.db2.gz LAXQYAJFSCWNDU-MRVPVSSYSA-N 0 3 364.414 -0.729 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821285550 606700342 /nfs/dbraw/zinc/70/03/42/606700342.db2.gz LAXQYAJFSCWNDU-QMMMGPOBSA-N 0 3 364.414 -0.729 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821285550 606700341 /nfs/dbraw/zinc/70/03/41/606700341.db2.gz LAXQYAJFSCWNDU-QMMMGPOBSA-N 0 3 364.414 -0.729 20 0 FBADHN CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821285954 606742310 /nfs/dbraw/zinc/74/23/10/606742310.db2.gz NDQBNLOOATVFNO-GHMZBOCLSA-N 0 3 360.426 -0.502 20 0 FBADHN CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821285954 606742308 /nfs/dbraw/zinc/74/23/08/606742308.db2.gz NDQBNLOOATVFNO-GHMZBOCLSA-N 0 3 360.426 -0.502 20 0 FBADHN CCNC(=O)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821285958 606742030 /nfs/dbraw/zinc/74/20/30/606742030.db2.gz NDQBNLOOATVFNO-MNOVXSKESA-N 0 3 360.426 -0.502 20 0 FBADHN CCNC(=O)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821285958 606742028 /nfs/dbraw/zinc/74/20/28/606742028.db2.gz NDQBNLOOATVFNO-MNOVXSKESA-N 0 3 360.426 -0.502 20 0 FBADHN CCNC(=O)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821285959 606742504 /nfs/dbraw/zinc/74/25/04/606742504.db2.gz NDQBNLOOATVFNO-QWRGUYRKSA-N 0 3 360.426 -0.502 20 0 FBADHN CCNC(=O)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821285959 606742503 /nfs/dbraw/zinc/74/25/03/606742503.db2.gz NDQBNLOOATVFNO-QWRGUYRKSA-N 0 3 360.426 -0.502 20 0 FBADHN CCNC(=O)N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821285960 606742053 /nfs/dbraw/zinc/74/20/53/606742053.db2.gz NDQBNLOOATVFNO-WDEREUQCSA-N 0 3 360.426 -0.502 20 0 FBADHN CCNC(=O)N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821285960 606742052 /nfs/dbraw/zinc/74/20/52/606742052.db2.gz NDQBNLOOATVFNO-WDEREUQCSA-N 0 3 360.426 -0.502 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000821575573 606286891 /nfs/dbraw/zinc/28/68/91/606286891.db2.gz HFBIZHSPEFCIIG-UHFFFAOYSA-N 0 3 374.449 -0.122 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000821575573 606286890 /nfs/dbraw/zinc/28/68/90/606286890.db2.gz HFBIZHSPEFCIIG-UHFFFAOYSA-N 0 3 374.449 -0.122 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821575957 606272563 /nfs/dbraw/zinc/27/25/63/606272563.db2.gz WIXKVKNUXVOCIS-UHFFFAOYSA-N 0 3 360.422 -0.133 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821575957 606272562 /nfs/dbraw/zinc/27/25/62/606272562.db2.gz WIXKVKNUXVOCIS-UHFFFAOYSA-N 0 3 360.422 -0.133 20 0 FBADHN C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821582942 607179957 /nfs/dbraw/zinc/17/99/57/607179957.db2.gz CMLMJIUXAQWMSZ-SECBINFHSA-N 0 3 367.797 -0.503 20 0 FBADHN C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821582943 607179928 /nfs/dbraw/zinc/17/99/28/607179928.db2.gz CMLMJIUXAQWMSZ-VIFPVBQESA-N 0 3 367.797 -0.503 20 0 FBADHN C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821583066 606734557 /nfs/dbraw/zinc/73/45/57/606734557.db2.gz HRVLKVYOSRIHPB-SECBINFHSA-N 0 3 367.797 -0.503 20 0 FBADHN C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821583067 606734549 /nfs/dbraw/zinc/73/45/49/606734549.db2.gz HRVLKVYOSRIHPB-VIFPVBQESA-N 0 3 367.797 -0.503 20 0 FBADHN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000821587249 606162400 /nfs/dbraw/zinc/16/24/00/606162400.db2.gz NEZAAHJPFJPYQK-UHFFFAOYSA-N 0 3 362.442 -0.252 20 0 FBADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC000821587464 606283141 /nfs/dbraw/zinc/28/31/41/606283141.db2.gz YSORFOMCXULWPW-UHFFFAOYSA-N 0 3 372.393 -0.679 20 0 FBADHN CN1CCC([N@@H+](CCO)C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821621698 607389149 /nfs/dbraw/zinc/38/91/49/607389149.db2.gz CGJJZTVQYWUBIE-GFCCVEGCSA-N 0 3 361.454 -0.507 20 0 FBADHN CN1CCC([N@H+](CCO)C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821621698 607389147 /nfs/dbraw/zinc/38/91/47/607389147.db2.gz CGJJZTVQYWUBIE-GFCCVEGCSA-N 0 3 361.454 -0.507 20 0 FBADHN CN1CCC([N@@H+](CCO)C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821621698 607389145 /nfs/dbraw/zinc/38/91/45/607389145.db2.gz CGJJZTVQYWUBIE-GFCCVEGCSA-N 0 3 361.454 -0.507 20 0 FBADHN CN1CCC([N@H+](CCO)C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821621698 607389142 /nfs/dbraw/zinc/38/91/42/607389142.db2.gz CGJJZTVQYWUBIE-GFCCVEGCSA-N 0 3 361.454 -0.507 20 0 FBADHN CN1CCC([N@@H+](CCO)C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821621699 607389349 /nfs/dbraw/zinc/38/93/49/607389349.db2.gz CGJJZTVQYWUBIE-LBPRGKRZSA-N 0 3 361.454 -0.507 20 0 FBADHN CN1CCC([N@H+](CCO)C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821621699 607389347 /nfs/dbraw/zinc/38/93/47/607389347.db2.gz CGJJZTVQYWUBIE-LBPRGKRZSA-N 0 3 361.454 -0.507 20 0 FBADHN CN1CCC([N@@H+](CCO)C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821621699 607389345 /nfs/dbraw/zinc/38/93/45/607389345.db2.gz CGJJZTVQYWUBIE-LBPRGKRZSA-N 0 3 361.454 -0.507 20 0 FBADHN CN1CCC([N@H+](CCO)C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821621699 607389343 /nfs/dbraw/zinc/38/93/43/607389343.db2.gz CGJJZTVQYWUBIE-LBPRGKRZSA-N 0 3 361.454 -0.507 20 0 FBADHN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000821622175 607216870 /nfs/dbraw/zinc/21/68/70/607216870.db2.gz VBOHJLFKZZWCOO-CYBMUJFWSA-N 0 3 374.453 -0.915 20 0 FBADHN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000821622175 607216869 /nfs/dbraw/zinc/21/68/69/607216869.db2.gz VBOHJLFKZZWCOO-CYBMUJFWSA-N 0 3 374.453 -0.915 20 0 FBADHN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000821622176 607216962 /nfs/dbraw/zinc/21/69/62/607216962.db2.gz VBOHJLFKZZWCOO-ZDUSSCGKSA-N 0 3 374.453 -0.915 20 0 FBADHN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000821622176 607216961 /nfs/dbraw/zinc/21/69/61/607216961.db2.gz VBOHJLFKZZWCOO-ZDUSSCGKSA-N 0 3 374.453 -0.915 20 0 FBADHN C[NH+]1CCC(O)(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821623133 606285272 /nfs/dbraw/zinc/28/52/72/606285272.db2.gz DMXVEPRDWFELKI-UHFFFAOYSA-N 0 3 373.417 -0.831 20 0 FBADHN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821623406 607083236 /nfs/dbraw/zinc/08/32/36/607083236.db2.gz KUYBNDDTTSNQPU-AWEZNQCLSA-N 0 3 370.417 -0.360 20 0 FBADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821623406 607083234 /nfs/dbraw/zinc/08/32/34/607083234.db2.gz KUYBNDDTTSNQPU-AWEZNQCLSA-N 0 3 370.417 -0.360 20 0 FBADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821623407 607083214 /nfs/dbraw/zinc/08/32/14/607083214.db2.gz KUYBNDDTTSNQPU-CQSZACIVSA-N 0 3 370.417 -0.360 20 0 FBADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821623407 607083212 /nfs/dbraw/zinc/08/32/12/607083212.db2.gz KUYBNDDTTSNQPU-CQSZACIVSA-N 0 3 370.417 -0.360 20 0 FBADHN CN1CCN(C(=O)CNCc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000821625128 606628447 /nfs/dbraw/zinc/62/84/47/606628447.db2.gz GIFKRLRYZMEPKD-UHFFFAOYSA-N 0 3 355.406 -0.622 20 0 FBADHN COC1CCN(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821679814 606205443 /nfs/dbraw/zinc/20/54/43/606205443.db2.gz NNYFCJMXRVUCIZ-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN COC1CCN(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821679814 606205441 /nfs/dbraw/zinc/20/54/41/606205441.db2.gz NNYFCJMXRVUCIZ-GFCCVEGCSA-N 0 3 361.454 -0.195 20 0 FBADHN COC1CCN(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821679815 606205748 /nfs/dbraw/zinc/20/57/48/606205748.db2.gz NNYFCJMXRVUCIZ-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN COC1CCN(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821679815 606205746 /nfs/dbraw/zinc/20/57/46/606205746.db2.gz NNYFCJMXRVUCIZ-LBPRGKRZSA-N 0 3 361.454 -0.195 20 0 FBADHN COC[C@](C)(CCO)[NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821680751 606195840 /nfs/dbraw/zinc/19/58/40/606195840.db2.gz SYTVULUKLUBSAZ-BBRMVZONSA-N 0 3 351.407 -0.017 20 0 FBADHN COC[C@](C)(CCO)[NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821680752 606195536 /nfs/dbraw/zinc/19/55/36/606195536.db2.gz SYTVULUKLUBSAZ-CJNGLKHVSA-N 0 3 351.407 -0.017 20 0 FBADHN COC[C@@](C)(CCO)[NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821680753 606195704 /nfs/dbraw/zinc/19/57/04/606195704.db2.gz SYTVULUKLUBSAZ-CZUORRHYSA-N 0 3 351.407 -0.017 20 0 FBADHN COC[C@@](C)(CCO)[NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821680754 606195511 /nfs/dbraw/zinc/19/55/11/606195511.db2.gz SYTVULUKLUBSAZ-XJKSGUPXSA-N 0 3 351.407 -0.017 20 0 FBADHN CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000821931188 606217000 /nfs/dbraw/zinc/21/70/00/606217000.db2.gz APYBWZFETDDTSR-UHFFFAOYSA-N 0 3 371.492 -0.405 20 0 FBADHN CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821931188 606216999 /nfs/dbraw/zinc/21/69/99/606216999.db2.gz APYBWZFETDDTSR-UHFFFAOYSA-N 0 3 371.492 -0.405 20 0 FBADHN CCN(CCO)CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000822011280 661088292 /nfs/dbraw/zinc/08/82/92/661088292.db2.gz JYYVKVHOXAELOI-AWEZNQCLSA-N 0 3 358.483 -0.032 20 0 FBADHN CCN(CCO)CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000822011286 661088418 /nfs/dbraw/zinc/08/84/18/661088418.db2.gz JYYVKVHOXAELOI-CQSZACIVSA-N 0 3 358.483 -0.032 20 0 FBADHN CCN1CCN(CC(C)(C)NC(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000822047567 661088313 /nfs/dbraw/zinc/08/83/13/661088313.db2.gz YKGZZXBUSWQVJO-INIZCTEOSA-N 0 3 360.524 -0.009 20 0 FBADHN CCN1CCN(CC(C)(C)NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000822047582 661088397 /nfs/dbraw/zinc/08/83/97/661088397.db2.gz YKGZZXBUSWQVJO-MRXNPFEDSA-N 0 3 360.524 -0.009 20 0 FBADHN CCN1CCN(c2ccc(NC(=O)CNS(=O)(=O)NC)cc2)CC1 ZINC000822224412 661088528 /nfs/dbraw/zinc/08/85/28/661088528.db2.gz IMYNAKZEKHOKTE-UHFFFAOYSA-N 0 3 355.464 -0.179 20 0 FBADHN Cc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1-c1nn[n-]n1 ZINC000822319449 599609291 /nfs/dbraw/zinc/60/92/91/599609291.db2.gz RZBIIVZJLBNOCC-UHFFFAOYSA-N 0 3 373.417 -0.313 20 0 FBADHN Cc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1-c1nnn[n-]1 ZINC000822319449 599609290 /nfs/dbraw/zinc/60/92/90/599609290.db2.gz RZBIIVZJLBNOCC-UHFFFAOYSA-N 0 3 373.417 -0.313 20 0 FBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000822469330 661090261 /nfs/dbraw/zinc/09/02/61/661090261.db2.gz VCMLSYGZLDJYSV-GFCCVEGCSA-N 0 3 365.463 -0.170 20 0 FBADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000822469342 661090090 /nfs/dbraw/zinc/09/00/90/661090090.db2.gz VCMLSYGZLDJYSV-LBPRGKRZSA-N 0 3 365.463 -0.170 20 0 FBADHN CCOC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000822540222 661090535 /nfs/dbraw/zinc/09/05/35/661090535.db2.gz ZYIIDRKKYHPTTI-UONOGXRCSA-N 0 3 352.435 -0.160 20 0 FBADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000822636421 606285387 /nfs/dbraw/zinc/28/53/87/606285387.db2.gz CYUXFSRTFROTGF-LLVKDONJSA-N 0 3 360.422 -0.478 20 0 FBADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000822636421 606285385 /nfs/dbraw/zinc/28/53/85/606285385.db2.gz CYUXFSRTFROTGF-LLVKDONJSA-N 0 3 360.422 -0.478 20 0 FBADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000822636421 606285384 /nfs/dbraw/zinc/28/53/84/606285384.db2.gz CYUXFSRTFROTGF-LLVKDONJSA-N 0 3 360.422 -0.478 20 0 FBADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000822636421 606285382 /nfs/dbraw/zinc/28/53/82/606285382.db2.gz CYUXFSRTFROTGF-LLVKDONJSA-N 0 3 360.422 -0.478 20 0 FBADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000822636422 606285131 /nfs/dbraw/zinc/28/51/31/606285131.db2.gz CYUXFSRTFROTGF-NSHDSACASA-N 0 3 360.422 -0.478 20 0 FBADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000822636422 606285130 /nfs/dbraw/zinc/28/51/30/606285130.db2.gz CYUXFSRTFROTGF-NSHDSACASA-N 0 3 360.422 -0.478 20 0 FBADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000822636422 606285129 /nfs/dbraw/zinc/28/51/29/606285129.db2.gz CYUXFSRTFROTGF-NSHDSACASA-N 0 3 360.422 -0.478 20 0 FBADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000822636422 606285128 /nfs/dbraw/zinc/28/51/28/606285128.db2.gz CYUXFSRTFROTGF-NSHDSACASA-N 0 3 360.422 -0.478 20 0 FBADHN CNS(=O)(=O)NCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000822638622 661091461 /nfs/dbraw/zinc/09/14/61/661091461.db2.gz BLDYPVDJYIVDLY-UHFFFAOYSA-N 0 3 370.475 -0.170 20 0 FBADHN CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000822677738 661091452 /nfs/dbraw/zinc/09/14/52/661091452.db2.gz ZYZWMMWCCSIQBL-CABCVRRESA-N 0 3 361.483 -0.161 20 0 FBADHN CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000822677739 661091309 /nfs/dbraw/zinc/09/13/09/661091309.db2.gz ZYZWMMWCCSIQBL-GJZGRUSLSA-N 0 3 361.483 -0.161 20 0 FBADHN CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000822677740 661091352 /nfs/dbraw/zinc/09/13/52/661091352.db2.gz ZYZWMMWCCSIQBL-HUUCEWRRSA-N 0 3 361.483 -0.161 20 0 FBADHN CN(C[C@@H](O)CN1CCOCC1)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000822677741 661091511 /nfs/dbraw/zinc/09/15/11/661091511.db2.gz ZYZWMMWCCSIQBL-LSDHHAIUSA-N 0 3 361.483 -0.161 20 0 FBADHN COC(=O)N(C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000822784823 661092441 /nfs/dbraw/zinc/09/24/41/661092441.db2.gz PZIMSVUWTMMVOS-CYBMUJFWSA-N 0 3 355.439 -0.367 20 0 FBADHN COC(=O)N(C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000822784824 661092371 /nfs/dbraw/zinc/09/23/71/661092371.db2.gz PZIMSVUWTMMVOS-ZDUSSCGKSA-N 0 3 355.439 -0.367 20 0 FBADHN CN(C[C@@H](O)CN1CCC2(CC1)NC(=O)NC2=O)C(=O)OC(C)(C)C ZINC000822784856 661092227 /nfs/dbraw/zinc/09/22/27/661092227.db2.gz HOZGOARSAKABMI-LLVKDONJSA-N 0 3 356.423 -0.112 20 0 FBADHN CN(C[C@H](O)CN1CCC2(CC1)NC(=O)NC2=O)C(=O)OC(C)(C)C ZINC000822784857 661092355 /nfs/dbraw/zinc/09/23/55/661092355.db2.gz HOZGOARSAKABMI-NSHDSACASA-N 0 3 356.423 -0.112 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN(C)C(=O)OC)CC1 ZINC000822796899 661092339 /nfs/dbraw/zinc/09/23/39/661092339.db2.gz AFRFSNPEIZNDJV-UHFFFAOYSA-N 0 3 357.455 -0.120 20 0 FBADHN NC(=O)C1(C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CCOCC1 ZINC000822851734 606657760 /nfs/dbraw/zinc/65/77/60/606657760.db2.gz ZLHOQBGIYKUULS-UHFFFAOYSA-N 0 3 356.390 -0.114 20 0 FBADHN NC(=O)C1(C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CCOCC1 ZINC000822851734 606657759 /nfs/dbraw/zinc/65/77/59/606657759.db2.gz ZLHOQBGIYKUULS-UHFFFAOYSA-N 0 3 356.390 -0.114 20 0 FBADHN NC(=O)NC1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822873777 606090916 /nfs/dbraw/zinc/09/09/16/606090916.db2.gz IWVCUXZWDMFQRG-CYBMUJFWSA-N 0 3 361.406 -0.261 20 0 FBADHN NC(=O)NC1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822873778 606090104 /nfs/dbraw/zinc/09/01/04/606090104.db2.gz IWVCUXZWDMFQRG-ZDUSSCGKSA-N 0 3 361.406 -0.261 20 0 FBADHN NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895563 599047809 /nfs/dbraw/zinc/04/78/09/599047809.db2.gz SYTYBZAMOMUDNQ-LLVKDONJSA-N 0 3 361.431 -0.035 20 0 FBADHN NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895563 599047807 /nfs/dbraw/zinc/04/78/07/599047807.db2.gz SYTYBZAMOMUDNQ-LLVKDONJSA-N 0 3 361.431 -0.035 20 0 FBADHN NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895564 599047441 /nfs/dbraw/zinc/04/74/41/599047441.db2.gz SYTYBZAMOMUDNQ-NSHDSACASA-N 0 3 361.431 -0.035 20 0 FBADHN NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895564 599047438 /nfs/dbraw/zinc/04/74/38/599047438.db2.gz SYTYBZAMOMUDNQ-NSHDSACASA-N 0 3 361.431 -0.035 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c(-c2nn[n-]n2)c1 ZINC000822895895 599529676 /nfs/dbraw/zinc/52/96/76/599529676.db2.gz ZWUPENJJBLYIKG-UHFFFAOYSA-N 0 3 367.435 -0.982 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c(-c2nn[n-]n2)c1 ZINC000822895895 599529673 /nfs/dbraw/zinc/52/96/73/599529673.db2.gz ZWUPENJJBLYIKG-UHFFFAOYSA-N 0 3 367.435 -0.982 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000822895895 599529672 /nfs/dbraw/zinc/52/96/72/599529672.db2.gz ZWUPENJJBLYIKG-UHFFFAOYSA-N 0 3 367.435 -0.982 20 0 FBADHN NS(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000822895895 599529669 /nfs/dbraw/zinc/52/96/69/599529669.db2.gz ZWUPENJJBLYIKG-UHFFFAOYSA-N 0 3 367.435 -0.982 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)/C=C2\SCC(=O)N2C)CC1=O ZINC000822973548 661093359 /nfs/dbraw/zinc/09/33/59/661093359.db2.gz MTQDPJFJUUDZTL-DZZSIBQASA-N 0 3 370.475 -0.672 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)/C=C2/SCC(=O)N2C)CC1=O ZINC000822973549 661093284 /nfs/dbraw/zinc/09/32/84/661093284.db2.gz MTQDPJFJUUDZTL-GFQQVXNGSA-N 0 3 370.475 -0.672 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)/C=C2\SCC(=O)N2C)CC1=O ZINC000822973550 661093219 /nfs/dbraw/zinc/09/32/19/661093219.db2.gz MTQDPJFJUUDZTL-PFSWGADMSA-N 0 3 370.475 -0.672 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)/C=C2/SCC(=O)N2C)CC1=O ZINC000822973551 661093382 /nfs/dbraw/zinc/09/33/82/661093382.db2.gz MTQDPJFJUUDZTL-RGZVIEDOSA-N 0 3 370.475 -0.672 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)OC)CC1=O ZINC000822973802 661093428 /nfs/dbraw/zinc/09/34/28/661093428.db2.gz PVTMVRWNGACOOT-MJBXVCDLSA-N 0 3 355.435 -0.519 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc(Cl)n2C)CC1=O ZINC000822973937 661093419 /nfs/dbraw/zinc/09/34/19/661093419.db2.gz TTYZCAVZDMLVDV-LLVKDONJSA-N 0 3 357.842 -0.018 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(Cl)n2C)CC1=O ZINC000822973938 661093245 /nfs/dbraw/zinc/09/32/45/661093245.db2.gz TTYZCAVZDMLVDV-NSHDSACASA-N 0 3 357.842 -0.018 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC000823072392 839142405 /nfs/dbraw/zinc/14/24/05/839142405.db2.gz IZZSOMPTWCWLSK-UHFFFAOYSA-N 0 3 353.467 -0.196 20 0 FBADHN CN1C[C@H]2CCN(C(=O)COc3nsnc3N3CCOCC3)[C@H]2C1 ZINC000823102122 661094385 /nfs/dbraw/zinc/09/43/85/661094385.db2.gz ZGTFQYVRGRFLFA-NEPJUHHUSA-N 0 3 353.448 -0.084 20 0 FBADHN CN1C[C@@H]2CCN(C(=O)COc3nsnc3N3CCOCC3)[C@@H]2C1 ZINC000823102124 661094458 /nfs/dbraw/zinc/09/44/58/661094458.db2.gz ZGTFQYVRGRFLFA-NWDGAFQWSA-N 0 3 353.448 -0.084 20 0 FBADHN CN1C[C@H]2[C@@H](CCN2C(=O)COc2nsnc2N2CCOCC2)C1 ZINC000823102126 661094284 /nfs/dbraw/zinc/09/42/84/661094284.db2.gz ZGTFQYVRGRFLFA-RYUDHWBXSA-N 0 3 353.448 -0.084 20 0 FBADHN CN1C[C@H]2CCN(C(=O)COc3nsnc3N3CCOCC3)[C@@H]2C1 ZINC000823102128 661094392 /nfs/dbraw/zinc/09/43/92/661094392.db2.gz ZGTFQYVRGRFLFA-VXGBXAGGSA-N 0 3 353.448 -0.084 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000823120668 661094647 /nfs/dbraw/zinc/09/46/47/661094647.db2.gz PRAKNVVKLQVXBM-HNNXBMFYSA-N 0 3 374.507 -0.083 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000823120808 661094857 /nfs/dbraw/zinc/09/48/57/661094857.db2.gz PRAKNVVKLQVXBM-OAHLLOKOSA-N 0 3 374.507 -0.083 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823201291 606401817 /nfs/dbraw/zinc/40/18/17/606401817.db2.gz GJOCBYJEOHDEDL-UHFFFAOYSA-N 0 3 370.348 -0.011 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823201291 606401816 /nfs/dbraw/zinc/40/18/16/606401816.db2.gz GJOCBYJEOHDEDL-UHFFFAOYSA-N 0 3 370.348 -0.011 20 0 FBADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823202702 607340943 /nfs/dbraw/zinc/34/09/43/607340943.db2.gz ZPFFOMKRJINXLK-UHFFFAOYSA-N 0 3 370.348 -0.011 20 0 FBADHN CN1C[C@@H]2CCCN(C(=O)c3cc4n(n3)CCN(C)S4(=O)=O)[C@@H]2C1 ZINC000823275580 661095674 /nfs/dbraw/zinc/09/56/74/661095674.db2.gz ACZSVYHYQVEVIG-WCQYABFASA-N 0 3 353.448 -0.317 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)COc3nsnc3N3CCOCC3)C[C@@H]21 ZINC000823365643 661095827 /nfs/dbraw/zinc/09/58/27/661095827.db2.gz PEPDBBUMZOPMGS-NEPJUHHUSA-N 0 3 353.448 -0.084 20 0 FBADHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823525487 606376882 /nfs/dbraw/zinc/37/68/82/606376882.db2.gz OVHHFODIAJZYFO-HZSPNIEDSA-N 0 3 358.402 -0.041 20 0 FBADHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823525488 606376983 /nfs/dbraw/zinc/37/69/83/606376983.db2.gz OVHHFODIAJZYFO-RDBSUJKOSA-N 0 3 358.402 -0.041 20 0 FBADHN O=S(=O)(CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N1CCOCC1 ZINC000823561354 606417256 /nfs/dbraw/zinc/41/72/56/606417256.db2.gz DDNSTHKWFVUCPO-UHFFFAOYSA-N 0 3 358.449 -0.320 20 0 FBADHN O=S(=O)(CC[NH2+]CCCn1cncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562079 606308735 /nfs/dbraw/zinc/30/87/35/606308735.db2.gz NUYLKEPBMVYZCI-UHFFFAOYSA-N 0 3 362.419 -0.088 20 0 FBADHN O=S(=O)(CC[NH2+]CCCn1cncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562079 606308733 /nfs/dbraw/zinc/30/87/33/606308733.db2.gz NUYLKEPBMVYZCI-UHFFFAOYSA-N 0 3 362.419 -0.088 20 0 FBADHN O=S(=O)(CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CC1CC1 ZINC000823562598 607010316 /nfs/dbraw/zinc/01/03/16/607010316.db2.gz UINZPESEBIDKME-LLVKDONJSA-N 0 3 366.451 -0.481 20 0 FBADHN O=S(=O)(CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CC1CC1 ZINC000823562598 607010313 /nfs/dbraw/zinc/01/03/13/607010313.db2.gz UINZPESEBIDKME-LLVKDONJSA-N 0 3 366.451 -0.481 20 0 FBADHN O=S(=O)(CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CC1CC1 ZINC000823562603 607010187 /nfs/dbraw/zinc/01/01/87/607010187.db2.gz UINZPESEBIDKME-NSHDSACASA-N 0 3 366.451 -0.481 20 0 FBADHN O=S(=O)(CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CC1CC1 ZINC000823562603 607010186 /nfs/dbraw/zinc/01/01/86/607010186.db2.gz UINZPESEBIDKME-NSHDSACASA-N 0 3 366.451 -0.481 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000823566339 661096497 /nfs/dbraw/zinc/09/64/97/661096497.db2.gz IPEMMPGJYCNJEA-LLVKDONJSA-N 0 3 354.432 -0.323 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000823566340 661096405 /nfs/dbraw/zinc/09/64/05/661096405.db2.gz IPEMMPGJYCNJEA-NSHDSACASA-N 0 3 354.432 -0.323 20 0 FBADHN O=C(CN1CCCC1)NCC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC000823694472 661097380 /nfs/dbraw/zinc/09/73/80/661097380.db2.gz CSGMZSCAJZWVKP-UHFFFAOYSA-N 0 3 352.479 -0.352 20 0 FBADHN OCCOC[C@@H](O)C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823721734 606958361 /nfs/dbraw/zinc/95/83/61/606958361.db2.gz IPQFHDYHHPWEHO-AWEZNQCLSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCOC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823721734 606958359 /nfs/dbraw/zinc/95/83/59/606958359.db2.gz IPQFHDYHHPWEHO-AWEZNQCLSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCOC[C@@H](O)C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823721734 606958357 /nfs/dbraw/zinc/95/83/57/606958357.db2.gz IPQFHDYHHPWEHO-AWEZNQCLSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCOC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823721734 606958355 /nfs/dbraw/zinc/95/83/55/606958355.db2.gz IPQFHDYHHPWEHO-AWEZNQCLSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCOC[C@H](O)C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823721747 606958560 /nfs/dbraw/zinc/95/85/60/606958560.db2.gz IPQFHDYHHPWEHO-CQSZACIVSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCOC[C@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823721747 606958558 /nfs/dbraw/zinc/95/85/58/606958558.db2.gz IPQFHDYHHPWEHO-CQSZACIVSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCOC[C@H](O)C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823721747 606958556 /nfs/dbraw/zinc/95/85/56/606958556.db2.gz IPQFHDYHHPWEHO-CQSZACIVSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCOC[C@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823721747 606958554 /nfs/dbraw/zinc/95/85/54/606958554.db2.gz IPQFHDYHHPWEHO-CQSZACIVSA-N 0 3 362.434 -0.251 20 0 FBADHN OCCN(CCOc1ccc(-c2nn[nH]n2)cc1)CCN1CCOCC1 ZINC000823722039 606396578 /nfs/dbraw/zinc/39/65/78/606396578.db2.gz KBXQYPULLFWNQY-UHFFFAOYSA-N 0 3 362.434 -0.128 20 0 FBADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCCNc1ncccn1)C2 ZINC000823809873 606338561 /nfs/dbraw/zinc/33/85/61/606338561.db2.gz RMBUNQLVLPOFBE-LLVKDONJSA-N 0 3 355.410 -0.013 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCCNc1ncccn1)C2 ZINC000823809873 606338559 /nfs/dbraw/zinc/33/85/59/606338559.db2.gz RMBUNQLVLPOFBE-LLVKDONJSA-N 0 3 355.410 -0.013 20 0 FBADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCCNc1ncccn1)C2 ZINC000823809876 606338808 /nfs/dbraw/zinc/33/88/08/606338808.db2.gz RMBUNQLVLPOFBE-NSHDSACASA-N 0 3 355.410 -0.013 20 0 FBADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCCNc1ncccn1)C2 ZINC000823809876 606338806 /nfs/dbraw/zinc/33/88/06/606338806.db2.gz RMBUNQLVLPOFBE-NSHDSACASA-N 0 3 355.410 -0.013 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@H+]2C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821609 607443590 /nfs/dbraw/zinc/44/35/90/607443590.db2.gz WXOLZEHROBMZRA-NEPJUHHUSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@@H+]2C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821609 607443589 /nfs/dbraw/zinc/44/35/89/607443589.db2.gz WXOLZEHROBMZRA-NEPJUHHUSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@H+]2C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821609 607443588 /nfs/dbraw/zinc/44/35/88/607443588.db2.gz WXOLZEHROBMZRA-NEPJUHHUSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@@H+]2C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821609 607443587 /nfs/dbraw/zinc/44/35/87/607443587.db2.gz WXOLZEHROBMZRA-NEPJUHHUSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@H+]2C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821614 607443885 /nfs/dbraw/zinc/44/38/85/607443885.db2.gz WXOLZEHROBMZRA-NWDGAFQWSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@@H+]2C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821614 607443883 /nfs/dbraw/zinc/44/38/83/607443883.db2.gz WXOLZEHROBMZRA-NWDGAFQWSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@H+]2C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821614 607443882 /nfs/dbraw/zinc/44/38/82/607443882.db2.gz WXOLZEHROBMZRA-NWDGAFQWSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@@H+]2C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821614 607443880 /nfs/dbraw/zinc/44/38/80/607443880.db2.gz WXOLZEHROBMZRA-NWDGAFQWSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@H+]2C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821615 607443778 /nfs/dbraw/zinc/44/37/78/607443778.db2.gz WXOLZEHROBMZRA-RYUDHWBXSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821615 607443776 /nfs/dbraw/zinc/44/37/76/607443776.db2.gz WXOLZEHROBMZRA-RYUDHWBXSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@H+]2C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821615 607443774 /nfs/dbraw/zinc/44/37/74/607443774.db2.gz WXOLZEHROBMZRA-RYUDHWBXSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821615 607443773 /nfs/dbraw/zinc/44/37/73/607443773.db2.gz WXOLZEHROBMZRA-RYUDHWBXSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@H+]2C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821618 607443677 /nfs/dbraw/zinc/44/36/77/607443677.db2.gz WXOLZEHROBMZRA-VXGBXAGGSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@@H+]2C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823821618 607443676 /nfs/dbraw/zinc/44/36/76/607443676.db2.gz WXOLZEHROBMZRA-VXGBXAGGSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@H+]2C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821618 607443675 /nfs/dbraw/zinc/44/36/75/607443675.db2.gz WXOLZEHROBMZRA-VXGBXAGGSA-N 0 3 355.410 -0.139 20 0 FBADHN c1ncn(C[C@H]2CCC[N@@H+]2C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823821618 607443674 /nfs/dbraw/zinc/44/36/74/607443674.db2.gz WXOLZEHROBMZRA-VXGBXAGGSA-N 0 3 355.410 -0.139 20 0 FBADHN CCOC(=O)N1CSC[C@@H]1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000823857325 661097558 /nfs/dbraw/zinc/09/75/58/661097558.db2.gz RFFDUCNENZYZPP-GFCCVEGCSA-N 0 3 358.464 -0.250 20 0 FBADHN CCOC(=O)N1CSC[C@H]1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000823857326 661097605 /nfs/dbraw/zinc/09/76/05/661097605.db2.gz RFFDUCNENZYZPP-LBPRGKRZSA-N 0 3 358.464 -0.250 20 0 FBADHN CN(C)CCN1CCN(C(=O)c2ccc(S(C)(=O)=O)nc2)CC1=O ZINC000823857649 661097525 /nfs/dbraw/zinc/09/75/25/661097525.db2.gz WVGPTCPOPOTZCT-UHFFFAOYSA-N 0 3 354.432 -0.669 20 0 FBADHN COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000824030940 661098277 /nfs/dbraw/zinc/09/82/77/661098277.db2.gz RFKUSDPMDXVILA-HZSPNIEDSA-N 0 3 355.435 -0.077 20 0 FBADHN COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000824030941 661098079 /nfs/dbraw/zinc/09/80/79/661098079.db2.gz RFKUSDPMDXVILA-MELADBBJSA-N 0 3 355.435 -0.077 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000824031169 661098122 /nfs/dbraw/zinc/09/81/22/661098122.db2.gz UXANGVNVZODUHL-GMTAPVOTSA-N 0 3 364.368 -0.121 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000824031170 661098648 /nfs/dbraw/zinc/09/86/48/661098648.db2.gz UXANGVNVZODUHL-MXWKQRLJSA-N 0 3 364.368 -0.121 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000824031171 661098485 /nfs/dbraw/zinc/09/84/85/661098485.db2.gz UXANGVNVZODUHL-OUAUKWLOSA-N 0 3 364.368 -0.121 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000824031172 661098429 /nfs/dbraw/zinc/09/84/29/661098429.db2.gz UXANGVNVZODUHL-VWYCJHECSA-N 0 3 364.368 -0.121 20 0 FBADHN COC(=O)[C@H]1CCCN(CC(=O)N(CCO)C2CCN(C)CC2)C1=O ZINC000824157234 661098550 /nfs/dbraw/zinc/09/85/50/661098550.db2.gz DNRHJNZIBTYHFU-AWEZNQCLSA-N 0 3 355.435 -0.687 20 0 FBADHN COC(=O)[C@@H]1CCCN(CC(=O)N(CCO)C2CCN(C)CC2)C1=O ZINC000824157251 661098623 /nfs/dbraw/zinc/09/86/23/661098623.db2.gz DNRHJNZIBTYHFU-CQSZACIVSA-N 0 3 355.435 -0.687 20 0 FBADHN COC(=O)c1cccn(CC(=O)N(CCO)C2CCN(C)CC2)c1=O ZINC000824157621 661098457 /nfs/dbraw/zinc/09/84/57/661098457.db2.gz JETIPWRNMJZVFC-UHFFFAOYSA-N 0 3 351.403 -0.450 20 0 FBADHN CN1CCC(N(CCO)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000824158811 661098576 /nfs/dbraw/zinc/09/85/76/661098576.db2.gz WCZGZGNEVFRIQW-SJORKVTESA-N 0 3 355.479 -0.219 20 0 FBADHN COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)O1 ZINC000824175195 661098935 /nfs/dbraw/zinc/09/89/35/661098935.db2.gz QOWUHELFQCKDEW-UONOGXRCSA-N 0 3 355.435 -0.280 20 0 FBADHN COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000824175218 661098847 /nfs/dbraw/zinc/09/88/47/661098847.db2.gz RDQKWQUYZOGWHZ-UONOGXRCSA-N 0 3 355.435 -0.423 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1=O ZINC000824175298 661098862 /nfs/dbraw/zinc/09/88/62/661098862.db2.gz UFXVRYTWJSEGJT-GHMZBOCLSA-N 0 3 364.368 -0.467 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1=O ZINC000824175299 661098764 /nfs/dbraw/zinc/09/87/64/661098764.db2.gz UFXVRYTWJSEGJT-MNOVXSKESA-N 0 3 364.368 -0.467 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1=O ZINC000824175300 661098742 /nfs/dbraw/zinc/09/87/42/661098742.db2.gz UFXVRYTWJSEGJT-QWRGUYRKSA-N 0 3 364.368 -0.467 20 0 FBADHN CN(C)CCN1CCN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1=O ZINC000824175301 661098884 /nfs/dbraw/zinc/09/88/84/661098884.db2.gz UFXVRYTWJSEGJT-WDEREUQCSA-N 0 3 364.368 -0.467 20 0 FBADHN O=C(COc1nsnc1N1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824301723 661099516 /nfs/dbraw/zinc/09/95/16/661099516.db2.gz WAHPKHHSZQZDSF-NWDGAFQWSA-N 0 3 369.447 -0.969 20 0 FBADHN COC(=O)[C@@H]1CO[C@H](CCC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000824503138 661100003 /nfs/dbraw/zinc/10/00/03/661100003.db2.gz JNWYZJQNBJFHET-UONOGXRCSA-N 0 3 357.451 -0.177 20 0 FBADHN COC(=O)CC[C@@H]1CC[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)O1 ZINC000824504838 661100006 /nfs/dbraw/zinc/10/00/06/661100006.db2.gz ZTMXRABQAPCSQD-UONOGXRCSA-N 0 3 357.451 -0.034 20 0 FBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2CCC[C@H]2C)n1 ZINC000824518797 661099924 /nfs/dbraw/zinc/09/99/24/661099924.db2.gz SCPLMKLHPUQTBD-LLVKDONJSA-N 0 3 352.395 -0.620 20 0 FBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)n1 ZINC000824518799 661100015 /nfs/dbraw/zinc/10/00/15/661100015.db2.gz SCPLMKLHPUQTBD-NSHDSACASA-N 0 3 352.395 -0.620 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000824734132 661100519 /nfs/dbraw/zinc/10/05/19/661100519.db2.gz VWSQVUZRCIYFRC-KBPBESRZSA-N 0 3 350.423 -0.452 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000824734133 661100665 /nfs/dbraw/zinc/10/06/65/661100665.db2.gz VWSQVUZRCIYFRC-KGLIPLIRSA-N 0 3 350.423 -0.452 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000824734134 661100655 /nfs/dbraw/zinc/10/06/55/661100655.db2.gz VWSQVUZRCIYFRC-UONOGXRCSA-N 0 3 350.423 -0.452 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000824734135 661100554 /nfs/dbraw/zinc/10/05/54/661100554.db2.gz VWSQVUZRCIYFRC-ZIAGYGMSSA-N 0 3 350.423 -0.452 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000824741231 661100933 /nfs/dbraw/zinc/10/09/33/661100933.db2.gz PWNLHKYLNZZGHA-CHWSQXEVSA-N 0 3 368.459 -0.474 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000824741232 661100918 /nfs/dbraw/zinc/10/09/18/661100918.db2.gz PWNLHKYLNZZGHA-OLZOCXBDSA-N 0 3 368.459 -0.474 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000824741233 661100905 /nfs/dbraw/zinc/10/09/05/661100905.db2.gz PWNLHKYLNZZGHA-QWHCGFSZSA-N 0 3 368.459 -0.474 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000824741235 661100924 /nfs/dbraw/zinc/10/09/24/661100924.db2.gz PWNLHKYLNZZGHA-STQMWFEESA-N 0 3 368.459 -0.474 20 0 FBADHN CCOC(=O)N1CSC[C@@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000825224277 661103693 /nfs/dbraw/zinc/10/36/93/661103693.db2.gz UMKKWXCBPBCEAM-GFCCVEGCSA-N 0 3 360.480 -0.004 20 0 FBADHN CCOC(=O)N1CSC[C@H]1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000825224279 661103740 /nfs/dbraw/zinc/10/37/40/661103740.db2.gz UMKKWXCBPBCEAM-LBPRGKRZSA-N 0 3 360.480 -0.004 20 0 FBADHN COC(=O)[C@H](CCNC(=O)CN1CCCC1)NC(=O)CN1CCCC1 ZINC000825285552 661103893 /nfs/dbraw/zinc/10/38/93/661103893.db2.gz AFKHXLBPQTZWEF-AWEZNQCLSA-N 0 3 354.451 -0.658 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCNC(=O)c1ccco1 ZINC000825617046 661105373 /nfs/dbraw/zinc/10/53/73/661105373.db2.gz BNMGXSGSUIFTEQ-GFCCVEGCSA-N 0 3 351.407 -0.229 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCNC(=O)c1ccco1 ZINC000825617049 661105298 /nfs/dbraw/zinc/10/52/98/661105298.db2.gz BNMGXSGSUIFTEQ-LBPRGKRZSA-N 0 3 351.407 -0.229 20 0 FBADHN Cn1cc(N2CCN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC2=O)cn1 ZINC000825658344 839184532 /nfs/dbraw/zinc/18/45/32/839184532.db2.gz KEBYRGHJTRGNRT-INIZCTEOSA-N 0 3 367.475 -0.116 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000825839572 607734026 /nfs/dbraw/zinc/73/40/26/607734026.db2.gz KCCIHHLFJPXNJF-UHFFFAOYSA-N 0 3 360.422 -0.133 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000825839572 607734025 /nfs/dbraw/zinc/73/40/25/607734025.db2.gz KCCIHHLFJPXNJF-UHFFFAOYSA-N 0 3 360.422 -0.133 20 0 FBADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000825839907 609211728 /nfs/dbraw/zinc/21/17/28/609211728.db2.gz LAJINVXZLMOVED-UHFFFAOYSA-N 0 3 360.422 -0.133 20 0 FBADHN C[NH+](C)C1(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC000825849282 608223503 /nfs/dbraw/zinc/22/35/03/608223503.db2.gz JMJHIVXREBSJCL-UHFFFAOYSA-N 0 3 360.422 -0.099 20 0 FBADHN C[NH+](C)C1(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC000825849282 608223501 /nfs/dbraw/zinc/22/35/01/608223501.db2.gz JMJHIVXREBSJCL-UHFFFAOYSA-N 0 3 360.422 -0.099 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825854315 607747312 /nfs/dbraw/zinc/74/73/12/607747312.db2.gz AJCOLPIJIPAIMA-CYBMUJFWSA-N 0 3 358.399 -0.403 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825854322 607747276 /nfs/dbraw/zinc/74/72/76/607747276.db2.gz AJCOLPIJIPAIMA-ZDUSSCGKSA-N 0 3 358.399 -0.403 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825854527 607781814 /nfs/dbraw/zinc/78/18/14/607781814.db2.gz CNNUTXTXPLSJQI-INIZCTEOSA-N 0 3 361.406 -0.975 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825854527 607781813 /nfs/dbraw/zinc/78/18/13/607781813.db2.gz CNNUTXTXPLSJQI-INIZCTEOSA-N 0 3 361.406 -0.975 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825854530 607781829 /nfs/dbraw/zinc/78/18/29/607781829.db2.gz CNNUTXTXPLSJQI-MRXNPFEDSA-N 0 3 361.406 -0.975 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825854530 607781828 /nfs/dbraw/zinc/78/18/28/607781828.db2.gz CNNUTXTXPLSJQI-MRXNPFEDSA-N 0 3 361.406 -0.975 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825855048 607775853 /nfs/dbraw/zinc/77/58/53/607775853.db2.gz GILCGMJQENFSEP-HNNXBMFYSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825855048 607775852 /nfs/dbraw/zinc/77/58/52/607775852.db2.gz GILCGMJQENFSEP-HNNXBMFYSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825855053 607775831 /nfs/dbraw/zinc/77/58/31/607775831.db2.gz GILCGMJQENFSEP-OAHLLOKOSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825855053 607775830 /nfs/dbraw/zinc/77/58/30/607775830.db2.gz GILCGMJQENFSEP-OAHLLOKOSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825855501 607775954 /nfs/dbraw/zinc/77/59/54/607775954.db2.gz GRWFNHQPLGOTAM-HNNXBMFYSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825855501 607775953 /nfs/dbraw/zinc/77/59/53/607775953.db2.gz GRWFNHQPLGOTAM-HNNXBMFYSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825855503 607775868 /nfs/dbraw/zinc/77/58/68/607775868.db2.gz GRWFNHQPLGOTAM-OAHLLOKOSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825855503 607775867 /nfs/dbraw/zinc/77/58/67/607775867.db2.gz GRWFNHQPLGOTAM-OAHLLOKOSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825855824 607775805 /nfs/dbraw/zinc/77/58/05/607775805.db2.gz JMDWKAZRUZICKD-HNNXBMFYSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825855824 607775804 /nfs/dbraw/zinc/77/58/04/607775804.db2.gz JMDWKAZRUZICKD-HNNXBMFYSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825855825 607775767 /nfs/dbraw/zinc/77/57/67/607775767.db2.gz JMDWKAZRUZICKD-OAHLLOKOSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825855825 607775766 /nfs/dbraw/zinc/77/57/66/607775766.db2.gz JMDWKAZRUZICKD-OAHLLOKOSA-N 0 3 365.369 -0.627 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825856077 607747171 /nfs/dbraw/zinc/74/71/71/607747171.db2.gz NACXBDHTCGJTHG-CYBMUJFWSA-N 0 3 358.399 -0.403 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825856077 607747170 /nfs/dbraw/zinc/74/71/70/607747170.db2.gz NACXBDHTCGJTHG-CYBMUJFWSA-N 0 3 358.399 -0.403 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825856078 607747327 /nfs/dbraw/zinc/74/73/27/607747327.db2.gz NACXBDHTCGJTHG-ZDUSSCGKSA-N 0 3 358.399 -0.403 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825856078 607747326 /nfs/dbraw/zinc/74/73/26/607747326.db2.gz NACXBDHTCGJTHG-ZDUSSCGKSA-N 0 3 358.399 -0.403 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825856111 607781840 /nfs/dbraw/zinc/78/18/40/607781840.db2.gz OBCPWJUEZRZNIH-HNNXBMFYSA-N 0 3 363.426 -0.715 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825856111 607781839 /nfs/dbraw/zinc/78/18/39/607781839.db2.gz OBCPWJUEZRZNIH-HNNXBMFYSA-N 0 3 363.426 -0.715 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825856112 607781656 /nfs/dbraw/zinc/78/16/56/607781656.db2.gz OBCPWJUEZRZNIH-OAHLLOKOSA-N 0 3 363.426 -0.715 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825856112 607781655 /nfs/dbraw/zinc/78/16/55/607781655.db2.gz OBCPWJUEZRZNIH-OAHLLOKOSA-N 0 3 363.426 -0.715 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825856186 607781618 /nfs/dbraw/zinc/78/16/18/607781618.db2.gz QQHZFWFWONOCOF-INIZCTEOSA-N 0 3 363.422 -0.143 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825856187 607781700 /nfs/dbraw/zinc/78/17/00/607781700.db2.gz QQHZFWFWONOCOF-MRXNPFEDSA-N 0 3 363.422 -0.143 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000825856567 607737657 /nfs/dbraw/zinc/73/76/57/607737657.db2.gz XGNJWIBABFQITM-CYBMUJFWSA-N 0 3 355.424 -0.761 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000825856567 607737656 /nfs/dbraw/zinc/73/76/56/607737656.db2.gz XGNJWIBABFQITM-CYBMUJFWSA-N 0 3 355.424 -0.761 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000825856568 607737505 /nfs/dbraw/zinc/73/75/05/607737505.db2.gz XGNJWIBABFQITM-ZDUSSCGKSA-N 0 3 355.424 -0.761 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000825856568 607737504 /nfs/dbraw/zinc/73/75/04/607737504.db2.gz XGNJWIBABFQITM-ZDUSSCGKSA-N 0 3 355.424 -0.761 20 0 FBADHN C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825856572 607747223 /nfs/dbraw/zinc/74/72/23/607747223.db2.gz XJTDGBBXVQDOOH-AWEZNQCLSA-N 0 3 354.436 -0.401 20 0 FBADHN C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825856573 607747288 /nfs/dbraw/zinc/74/72/88/607747288.db2.gz XJTDGBBXVQDOOH-CQSZACIVSA-N 0 3 354.436 -0.401 20 0 FBADHN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825859978 607618567 /nfs/dbraw/zinc/61/85/67/607618567.db2.gz JDLTWFZLWDIZNN-LLVKDONJSA-N 0 3 352.420 -0.182 20 0 FBADHN C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000825859980 607618377 /nfs/dbraw/zinc/61/83/77/607618377.db2.gz JDLTWFZLWDIZNN-NSHDSACASA-N 0 3 352.420 -0.182 20 0 FBADHN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000825860245 607618496 /nfs/dbraw/zinc/61/84/96/607618496.db2.gz MGHQFQQQPIDUMR-LLVKDONJSA-N 0 3 370.410 -0.043 20 0 FBADHN C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000825860246 607618350 /nfs/dbraw/zinc/61/83/50/607618350.db2.gz MGHQFQQQPIDUMR-NSHDSACASA-N 0 3 370.410 -0.043 20 0 FBADHN COC(=O)N1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000825867095 661106597 /nfs/dbraw/zinc/10/65/97/661106597.db2.gz CNIBGDQLDAVIPF-GFCCVEGCSA-N 0 3 355.439 -0.021 20 0 FBADHN COC(=O)N1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000825867096 661106494 /nfs/dbraw/zinc/10/64/94/661106494.db2.gz CNIBGDQLDAVIPF-LBPRGKRZSA-N 0 3 355.439 -0.021 20 0 FBADHN COC(=O)N1CCC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000825867662 661106738 /nfs/dbraw/zinc/10/67/38/661106738.db2.gz GZLXXQQGRKZMOX-CHWSQXEVSA-N 0 3 355.439 -0.021 20 0 FBADHN COC(=O)N1CCC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000825867663 661106642 /nfs/dbraw/zinc/10/66/42/661106642.db2.gz GZLXXQQGRKZMOX-OLZOCXBDSA-N 0 3 355.439 -0.021 20 0 FBADHN COC(=O)N1CCC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000825867664 661106585 /nfs/dbraw/zinc/10/65/85/661106585.db2.gz GZLXXQQGRKZMOX-QWHCGFSZSA-N 0 3 355.439 -0.021 20 0 FBADHN COC(=O)N1CCC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000825867665 661106771 /nfs/dbraw/zinc/10/67/71/661106771.db2.gz GZLXXQQGRKZMOX-STQMWFEESA-N 0 3 355.439 -0.021 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000825929867 609302891 /nfs/dbraw/zinc/30/28/91/609302891.db2.gz MXMYUDQTIYXPHG-JTQLQIEISA-N 0 3 374.453 -0.017 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000825929867 609302890 /nfs/dbraw/zinc/30/28/90/609302890.db2.gz MXMYUDQTIYXPHG-JTQLQIEISA-N 0 3 374.453 -0.017 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000825929868 609302816 /nfs/dbraw/zinc/30/28/16/609302816.db2.gz MXMYUDQTIYXPHG-SNVBAGLBSA-N 0 3 374.453 -0.017 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000825929868 609302814 /nfs/dbraw/zinc/30/28/14/609302814.db2.gz MXMYUDQTIYXPHG-SNVBAGLBSA-N 0 3 374.453 -0.017 20 0 FBADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCN1CCCS1(=O)=O ZINC000825934224 608036983 /nfs/dbraw/zinc/03/69/83/608036983.db2.gz KXRJAWUJHHHLQY-UHFFFAOYSA-N 0 3 369.455 -0.928 20 0 FBADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCN1CCCS1(=O)=O ZINC000825934224 608036982 /nfs/dbraw/zinc/03/69/82/608036982.db2.gz KXRJAWUJHHHLQY-UHFFFAOYSA-N 0 3 369.455 -0.928 20 0 FBADHN CN(C)C(=O)NCCN(C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825938382 609281242 /nfs/dbraw/zinc/28/12/42/609281242.db2.gz RCSDINUBGJRCLD-CYBMUJFWSA-N 0 3 363.422 -0.191 20 0 FBADHN CN(C)C(=O)NCCN(C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825938383 609280938 /nfs/dbraw/zinc/28/09/38/609280938.db2.gz RCSDINUBGJRCLD-ZDUSSCGKSA-N 0 3 363.422 -0.191 20 0 FBADHN C[N@@H+](CCO)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825941133 609256008 /nfs/dbraw/zinc/25/60/08/609256008.db2.gz AIIOQDSBVBZZMT-HNNXBMFYSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@H+](CCO)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825941133 609256007 /nfs/dbraw/zinc/25/60/07/609256007.db2.gz AIIOQDSBVBZZMT-HNNXBMFYSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@@H+](CCO)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825941133 609256006 /nfs/dbraw/zinc/25/60/06/609256006.db2.gz AIIOQDSBVBZZMT-HNNXBMFYSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@H+](CCO)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825941133 609256005 /nfs/dbraw/zinc/25/60/05/609256005.db2.gz AIIOQDSBVBZZMT-HNNXBMFYSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@@H+](CCO)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825941135 609256200 /nfs/dbraw/zinc/25/62/00/609256200.db2.gz AIIOQDSBVBZZMT-OAHLLOKOSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@H+](CCO)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825941135 609256199 /nfs/dbraw/zinc/25/61/99/609256199.db2.gz AIIOQDSBVBZZMT-OAHLLOKOSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@@H+](CCO)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825941135 609256196 /nfs/dbraw/zinc/25/61/96/609256196.db2.gz AIIOQDSBVBZZMT-OAHLLOKOSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@H+](CCO)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825941135 609256194 /nfs/dbraw/zinc/25/61/94/609256194.db2.gz AIIOQDSBVBZZMT-OAHLLOKOSA-N 0 3 360.418 -0.185 20 0 FBADHN C[N@@H+](CCO)C1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825941644 609393340 /nfs/dbraw/zinc/39/33/40/609393340.db2.gz MPDWNOJEOLNCQG-UHFFFAOYSA-N 0 3 360.422 -0.411 20 0 FBADHN C[N@H+](CCO)C1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825941644 609393337 /nfs/dbraw/zinc/39/33/37/609393337.db2.gz MPDWNOJEOLNCQG-UHFFFAOYSA-N 0 3 360.422 -0.411 20 0 FBADHN C[N@@H+](CCO)C1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825941644 609393334 /nfs/dbraw/zinc/39/33/34/609393334.db2.gz MPDWNOJEOLNCQG-UHFFFAOYSA-N 0 3 360.422 -0.411 20 0 FBADHN C[N@H+](CCO)C1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825941644 609393331 /nfs/dbraw/zinc/39/33/31/609393331.db2.gz MPDWNOJEOLNCQG-UHFFFAOYSA-N 0 3 360.422 -0.411 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000825990049 661107198 /nfs/dbraw/zinc/10/71/98/661107198.db2.gz KAROMNSDGSRZOX-GFCCVEGCSA-N 0 3 362.496 -0.039 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000825990053 661107243 /nfs/dbraw/zinc/10/72/43/661107243.db2.gz KAROMNSDGSRZOX-LBPRGKRZSA-N 0 3 362.496 -0.039 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000826028445 609300997 /nfs/dbraw/zinc/30/09/97/609300997.db2.gz AJMBEYFEIIUNNP-JTQLQIEISA-N 0 3 362.442 -0.160 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000826028445 609300995 /nfs/dbraw/zinc/30/09/95/609300995.db2.gz AJMBEYFEIIUNNP-JTQLQIEISA-N 0 3 362.442 -0.160 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000826028446 609300929 /nfs/dbraw/zinc/30/09/29/609300929.db2.gz AJMBEYFEIIUNNP-SNVBAGLBSA-N 0 3 362.442 -0.160 20 0 FBADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000826028446 609300928 /nfs/dbraw/zinc/30/09/28/609300928.db2.gz AJMBEYFEIIUNNP-SNVBAGLBSA-N 0 3 362.442 -0.160 20 0 FBADHN CCCN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CCN(C)C1 ZINC000826030820 661107273 /nfs/dbraw/zinc/10/72/73/661107273.db2.gz RNTMAKNVIGJPHJ-AWEZNQCLSA-N 0 3 362.496 -0.226 20 0 FBADHN CCCN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CCN(C)C1 ZINC000826030821 661107237 /nfs/dbraw/zinc/10/72/37/661107237.db2.gz RNTMAKNVIGJPHJ-CQSZACIVSA-N 0 3 362.496 -0.226 20 0 FBADHN CCN(OC)C(=O)CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000826080194 661107655 /nfs/dbraw/zinc/10/76/55/661107655.db2.gz ULUZUJZZESZWCL-CYBMUJFWSA-N 0 3 357.455 -0.362 20 0 FBADHN CCN(OC)C(=O)CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000826080195 661107570 /nfs/dbraw/zinc/10/75/70/661107570.db2.gz ULUZUJZZESZWCL-ZDUSSCGKSA-N 0 3 357.455 -0.362 20 0 FBADHN COC(=O)[C@@H](NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826111204 607531964 /nfs/dbraw/zinc/53/19/64/607531964.db2.gz AJJKOHVYOHLNBK-CABCVRRESA-N 0 3 357.418 -0.330 20 0 FBADHN COC(=O)[C@@H](NC[C@H]1CN2CCN1CC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826111205 607532271 /nfs/dbraw/zinc/53/22/71/607532271.db2.gz AJJKOHVYOHLNBK-GJZGRUSLSA-N 0 3 357.418 -0.330 20 0 FBADHN COC(=O)[C@H](NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826111206 607532279 /nfs/dbraw/zinc/53/22/79/607532279.db2.gz AJJKOHVYOHLNBK-HUUCEWRRSA-N 0 3 357.418 -0.330 20 0 FBADHN COC(=O)[C@H](NC[C@H]1CN2CCN1CC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826111207 607532214 /nfs/dbraw/zinc/53/22/14/607532214.db2.gz AJJKOHVYOHLNBK-LSDHHAIUSA-N 0 3 357.418 -0.330 20 0 FBADHN COC(=O)[C@@H](NC[C@@H]1CN2CCN1CC2)c1cccc(-c2nn[nH]n2)c1 ZINC000826111468 607531906 /nfs/dbraw/zinc/53/19/06/607531906.db2.gz FXVFBYRLRAHYCS-CABCVRRESA-N 0 3 357.418 -0.330 20 0 FBADHN COC(=O)[C@@H](NC[C@H]1CN2CCN1CC2)c1cccc(-c2nn[nH]n2)c1 ZINC000826111469 607531991 /nfs/dbraw/zinc/53/19/91/607531991.db2.gz FXVFBYRLRAHYCS-GJZGRUSLSA-N 0 3 357.418 -0.330 20 0 FBADHN COC(=O)[C@H](NC[C@@H]1CN2CCN1CC2)c1cccc(-c2nn[nH]n2)c1 ZINC000826111470 607532219 /nfs/dbraw/zinc/53/22/19/607532219.db2.gz FXVFBYRLRAHYCS-HUUCEWRRSA-N 0 3 357.418 -0.330 20 0 FBADHN COC(=O)[C@H](NC[C@H]1CN2CCN1CC2)c1cccc(-c2nn[nH]n2)c1 ZINC000826111471 607532198 /nfs/dbraw/zinc/53/21/98/607532198.db2.gz FXVFBYRLRAHYCS-LSDHHAIUSA-N 0 3 357.418 -0.330 20 0 FBADHN CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000826126070 661108493 /nfs/dbraw/zinc/10/84/93/661108493.db2.gz ROXJGDCIKYCRIU-DLBZAZTESA-N 0 3 357.426 -0.057 20 0 FBADHN CC(C)(C)N1CC[C@](F)(C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC000826126071 661108526 /nfs/dbraw/zinc/10/85/26/661108526.db2.gz ROXJGDCIKYCRIU-IAGOWNOFSA-N 0 3 357.426 -0.057 20 0 FBADHN CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000826126072 661108562 /nfs/dbraw/zinc/10/85/62/661108562.db2.gz ROXJGDCIKYCRIU-IRXDYDNUSA-N 0 3 357.426 -0.057 20 0 FBADHN CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC000826126073 661108511 /nfs/dbraw/zinc/10/85/11/661108511.db2.gz ROXJGDCIKYCRIU-SJORKVTESA-N 0 3 357.426 -0.057 20 0 FBADHN COCCCNC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826156016 608037474 /nfs/dbraw/zinc/03/74/74/608037474.db2.gz MLOPYGHWEJAVSF-JTQLQIEISA-N 0 3 365.442 -0.422 20 0 FBADHN COCCCNC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826156016 608037473 /nfs/dbraw/zinc/03/74/73/608037473.db2.gz MLOPYGHWEJAVSF-JTQLQIEISA-N 0 3 365.442 -0.422 20 0 FBADHN COCCCNC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826156017 608037565 /nfs/dbraw/zinc/03/75/65/608037565.db2.gz MLOPYGHWEJAVSF-SNVBAGLBSA-N 0 3 365.442 -0.422 20 0 FBADHN COCCCNC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826156017 608037564 /nfs/dbraw/zinc/03/75/64/608037564.db2.gz MLOPYGHWEJAVSF-SNVBAGLBSA-N 0 3 365.442 -0.422 20 0 FBADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826159774 608223842 /nfs/dbraw/zinc/22/38/42/608223842.db2.gz RBCXXEKLZXFILI-CYBMUJFWSA-N 0 3 360.422 -0.099 20 0 FBADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826159774 608223840 /nfs/dbraw/zinc/22/38/40/608223840.db2.gz RBCXXEKLZXFILI-CYBMUJFWSA-N 0 3 360.422 -0.099 20 0 FBADHN COCC[N@H+]1CCC[C@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826159775 608223385 /nfs/dbraw/zinc/22/33/85/608223385.db2.gz RBCXXEKLZXFILI-ZDUSSCGKSA-N 0 3 360.422 -0.099 20 0 FBADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826159775 608223384 /nfs/dbraw/zinc/22/33/84/608223384.db2.gz RBCXXEKLZXFILI-ZDUSSCGKSA-N 0 3 360.422 -0.099 20 0 FBADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826174561 607776807 /nfs/dbraw/zinc/77/68/07/607776807.db2.gz BODVYICVSINDKN-INIZCTEOSA-N 0 3 364.406 -0.317 20 0 FBADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826174562 607776745 /nfs/dbraw/zinc/77/67/45/607776745.db2.gz BODVYICVSINDKN-MRXNPFEDSA-N 0 3 364.406 -0.317 20 0 FBADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCOCC[NH+](C)C ZINC000826174626 609296593 /nfs/dbraw/zinc/29/65/93/609296593.db2.gz DIARBGQSMYDIHA-UHFFFAOYSA-N 0 3 364.406 -0.052 20 0 FBADHN COc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1-c1nnn[n-]1 ZINC000826196749 608198169 /nfs/dbraw/zinc/19/81/69/608198169.db2.gz MVCNLHVIRSTTTC-AWEZNQCLSA-N 0 3 357.418 -0.119 20 0 FBADHN COc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1-c1nnn[n-]1 ZINC000826196749 608198167 /nfs/dbraw/zinc/19/81/67/608198167.db2.gz MVCNLHVIRSTTTC-AWEZNQCLSA-N 0 3 357.418 -0.119 20 0 FBADHN COc1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1-c1nnn[n-]1 ZINC000826196750 608198333 /nfs/dbraw/zinc/19/83/33/608198333.db2.gz MVCNLHVIRSTTTC-CQSZACIVSA-N 0 3 357.418 -0.119 20 0 FBADHN COc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1-c1nnn[n-]1 ZINC000826196750 608198331 /nfs/dbraw/zinc/19/83/31/608198331.db2.gz MVCNLHVIRSTTTC-CQSZACIVSA-N 0 3 357.418 -0.119 20 0 FBADHN COc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000826198583 607781705 /nfs/dbraw/zinc/78/17/05/607781705.db2.gz CTOZOLVSAFWIMY-INIZCTEOSA-N 0 3 363.422 -0.013 20 0 FBADHN COc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1-c1nnn[n-]1 ZINC000826198583 607781704 /nfs/dbraw/zinc/78/17/04/607781704.db2.gz CTOZOLVSAFWIMY-INIZCTEOSA-N 0 3 363.422 -0.013 20 0 FBADHN COc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000826198584 607781743 /nfs/dbraw/zinc/78/17/43/607781743.db2.gz CTOZOLVSAFWIMY-MRXNPFEDSA-N 0 3 363.422 -0.013 20 0 FBADHN COc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1-c1nnn[n-]1 ZINC000826198584 607781742 /nfs/dbraw/zinc/78/17/42/607781742.db2.gz CTOZOLVSAFWIMY-MRXNPFEDSA-N 0 3 363.422 -0.013 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1-c1nn[n-]n1 ZINC000826241213 607775921 /nfs/dbraw/zinc/77/59/21/607775921.db2.gz VRNCJVLWWPARFX-INIZCTEOSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1-c1nnn[n-]1 ZINC000826241213 607775920 /nfs/dbraw/zinc/77/59/20/607775920.db2.gz VRNCJVLWWPARFX-INIZCTEOSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1-c1nn[n-]n1 ZINC000826241214 607776330 /nfs/dbraw/zinc/77/63/30/607776330.db2.gz VRNCJVLWWPARFX-MRXNPFEDSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1-c1nnn[n-]1 ZINC000826241214 607776329 /nfs/dbraw/zinc/77/63/29/607776329.db2.gz VRNCJVLWWPARFX-MRXNPFEDSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826256094 607747226 /nfs/dbraw/zinc/74/72/26/607747226.db2.gz UWEDFDCBRIRIGM-AWEZNQCLSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826256094 607747225 /nfs/dbraw/zinc/74/72/25/607747225.db2.gz UWEDFDCBRIRIGM-AWEZNQCLSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826256095 607747267 /nfs/dbraw/zinc/74/72/67/607747267.db2.gz UWEDFDCBRIRIGM-CQSZACIVSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826256095 607747266 /nfs/dbraw/zinc/74/72/66/607747266.db2.gz UWEDFDCBRIRIGM-CQSZACIVSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826276997 607776081 /nfs/dbraw/zinc/77/60/81/607776081.db2.gz FRPKSXWWVGPSCZ-INIZCTEOSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826276998 607776201 /nfs/dbraw/zinc/77/62/01/607776201.db2.gz FRPKSXWWVGPSCZ-MRXNPFEDSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826279841 607747309 /nfs/dbraw/zinc/74/73/09/607747309.db2.gz DPVZMRGPIDUDRR-AWEZNQCLSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826279841 607747308 /nfs/dbraw/zinc/74/73/08/607747308.db2.gz DPVZMRGPIDUDRR-AWEZNQCLSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826279842 607747192 /nfs/dbraw/zinc/74/71/92/607747192.db2.gz DPVZMRGPIDUDRR-CQSZACIVSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826279842 607747191 /nfs/dbraw/zinc/74/71/91/607747191.db2.gz DPVZMRGPIDUDRR-CQSZACIVSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1-c1nn[n-]n1 ZINC000826298714 607776286 /nfs/dbraw/zinc/77/62/86/607776286.db2.gz FAGWVTBHKDCTFM-INIZCTEOSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1-c1nnn[n-]1 ZINC000826298714 607776285 /nfs/dbraw/zinc/77/62/85/607776285.db2.gz FAGWVTBHKDCTFM-INIZCTEOSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1-c1nn[n-]n1 ZINC000826298715 607776216 /nfs/dbraw/zinc/77/62/16/607776216.db2.gz FAGWVTBHKDCTFM-MRXNPFEDSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1-c1nnn[n-]1 ZINC000826298715 607776215 /nfs/dbraw/zinc/77/62/15/607776215.db2.gz FAGWVTBHKDCTFM-MRXNPFEDSA-N 0 3 361.406 -0.458 20 0 FBADHN Cc1cccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1-c1nn[n-]n1 ZINC000826302160 607748162 /nfs/dbraw/zinc/74/81/62/607748162.db2.gz BSLCYLAJBOYUPD-AWEZNQCLSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1cccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1-c1nnn[n-]1 ZINC000826302160 607748161 /nfs/dbraw/zinc/74/81/61/607748161.db2.gz BSLCYLAJBOYUPD-AWEZNQCLSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1cccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1-c1nn[n-]n1 ZINC000826302161 607748123 /nfs/dbraw/zinc/74/81/23/607748123.db2.gz BSLCYLAJBOYUPD-CQSZACIVSA-N 0 3 354.436 -0.234 20 0 FBADHN Cc1cccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1-c1nnn[n-]1 ZINC000826302161 607748122 /nfs/dbraw/zinc/74/81/22/607748122.db2.gz BSLCYLAJBOYUPD-CQSZACIVSA-N 0 3 354.436 -0.234 20 0 FBADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432863 609253070 /nfs/dbraw/zinc/25/30/70/609253070.db2.gz NLUXTCHISQKHCS-CABCVRRESA-N 0 3 360.418 -0.137 20 0 FBADHN O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432864 609252888 /nfs/dbraw/zinc/25/28/88/609252888.db2.gz NLUXTCHISQKHCS-GJZGRUSLSA-N 0 3 360.418 -0.137 20 0 FBADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432865 609253203 /nfs/dbraw/zinc/25/32/03/609253203.db2.gz NLUXTCHISQKHCS-HUUCEWRRSA-N 0 3 360.418 -0.137 20 0 FBADHN O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432866 609253321 /nfs/dbraw/zinc/25/33/21/609253321.db2.gz NLUXTCHISQKHCS-LSDHHAIUSA-N 0 3 360.418 -0.137 20 0 FBADHN O=C(NCCC[NH+]1CCC(O)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436917 609234838 /nfs/dbraw/zinc/23/48/38/609234838.db2.gz ORAVYPUVBAICBI-HNNXBMFYSA-N 0 3 360.418 -0.137 20 0 FBADHN O=C(NCCC[NH+]1CCC(O)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436918 609235007 /nfs/dbraw/zinc/23/50/07/609235007.db2.gz ORAVYPUVBAICBI-OAHLLOKOSA-N 0 3 360.418 -0.137 20 0 FBADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000826438088 608120079 /nfs/dbraw/zinc/12/00/79/608120079.db2.gz MRSQOIOCNMNURR-CYBMUJFWSA-N 0 3 357.422 -0.820 20 0 FBADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000826438088 608120078 /nfs/dbraw/zinc/12/00/78/608120078.db2.gz MRSQOIOCNMNURR-CYBMUJFWSA-N 0 3 357.422 -0.820 20 0 FBADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000826438089 608119952 /nfs/dbraw/zinc/11/99/52/608119952.db2.gz MRSQOIOCNMNURR-ZDUSSCGKSA-N 0 3 357.422 -0.820 20 0 FBADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000826438089 608119951 /nfs/dbraw/zinc/11/99/51/608119951.db2.gz MRSQOIOCNMNURR-ZDUSSCGKSA-N 0 3 357.422 -0.820 20 0 FBADHN O=S(=O)(CC[NH2+]CCCn1cncn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826485411 607815593 /nfs/dbraw/zinc/81/55/93/607815593.db2.gz PGQMWISBDOWZKX-UHFFFAOYSA-N 0 3 362.419 -0.088 20 0 FBADHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1nnnn1C1CC1 ZINC000826614173 661112527 /nfs/dbraw/zinc/11/25/27/661112527.db2.gz BSWBBIPRJIKVNX-GHMZBOCLSA-N 0 3 350.427 -0.170 20 0 FBADHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1nnnn1C1CC1 ZINC000826614174 661112510 /nfs/dbraw/zinc/11/25/10/661112510.db2.gz BSWBBIPRJIKVNX-MNOVXSKESA-N 0 3 350.427 -0.170 20 0 FBADHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1nnnn1C1CC1 ZINC000826614175 661112624 /nfs/dbraw/zinc/11/26/24/661112624.db2.gz BSWBBIPRJIKVNX-QWRGUYRKSA-N 0 3 350.427 -0.170 20 0 FBADHN C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1nnnn1C1CC1 ZINC000826614176 661112636 /nfs/dbraw/zinc/11/26/36/661112636.db2.gz BSWBBIPRJIKVNX-WDEREUQCSA-N 0 3 350.427 -0.170 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 ZINC000826952787 661114947 /nfs/dbraw/zinc/11/49/47/661114947.db2.gz SWLZOZCCXIQFDF-AWEZNQCLSA-N 0 3 352.435 -0.112 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1 ZINC000826952788 661115105 /nfs/dbraw/zinc/11/51/05/661115105.db2.gz SWLZOZCCXIQFDF-CQSZACIVSA-N 0 3 352.435 -0.112 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 ZINC000826957647 661115040 /nfs/dbraw/zinc/11/50/40/661115040.db2.gz BQJKEGBBRAXIRX-KBPBESRZSA-N 0 3 352.435 -0.112 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 ZINC000826957648 661115018 /nfs/dbraw/zinc/11/50/18/661115018.db2.gz BQJKEGBBRAXIRX-KGLIPLIRSA-N 0 3 352.435 -0.112 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000826957649 661115058 /nfs/dbraw/zinc/11/50/58/661115058.db2.gz BQJKEGBBRAXIRX-UONOGXRCSA-N 0 3 352.435 -0.112 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000826957650 661115401 /nfs/dbraw/zinc/11/54/01/661115401.db2.gz BQJKEGBBRAXIRX-ZIAGYGMSSA-N 0 3 352.435 -0.112 20 0 FBADHN CNS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000826964203 661115425 /nfs/dbraw/zinc/11/54/25/661115425.db2.gz RQSHHHSIOGOULU-INIZCTEOSA-N 0 3 366.487 -0.357 20 0 FBADHN CNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000826964204 661115447 /nfs/dbraw/zinc/11/54/47/661115447.db2.gz RQSHHHSIOGOULU-MRXNPFEDSA-N 0 3 366.487 -0.357 20 0 FBADHN COC(=O)N(C)CCN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000827064930 661116132 /nfs/dbraw/zinc/11/61/32/661116132.db2.gz HGRVDWLARLIHSE-HNNXBMFYSA-N 0 3 360.480 -0.304 20 0 FBADHN COC(=O)N(C)CCN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000827064931 661116040 /nfs/dbraw/zinc/11/60/40/661116040.db2.gz HGRVDWLARLIHSE-OAHLLOKOSA-N 0 3 360.480 -0.304 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CCSC1 ZINC000827066806 661116157 /nfs/dbraw/zinc/11/61/57/661116157.db2.gz VBHCGPOMBUXUGJ-BLLLJJGKSA-N 0 3 370.475 -0.407 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CCSC1 ZINC000827066807 661116099 /nfs/dbraw/zinc/11/60/99/661116099.db2.gz VBHCGPOMBUXUGJ-LRDDRELGSA-N 0 3 370.475 -0.407 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CCSC1 ZINC000827066808 661116126 /nfs/dbraw/zinc/11/61/26/661116126.db2.gz VBHCGPOMBUXUGJ-MLGOLLRUSA-N 0 3 370.475 -0.407 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CCSC1 ZINC000827066809 661116036 /nfs/dbraw/zinc/11/60/36/661116036.db2.gz VBHCGPOMBUXUGJ-WBMJQRKESA-N 0 3 370.475 -0.407 20 0 FBADHN COCCNCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000827215448 661117653 /nfs/dbraw/zinc/11/76/53/661117653.db2.gz VQLCFDTULLPNEO-UHFFFAOYSA-N 0 3 366.443 -0.484 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1COC2(CCC2)C1)CN1CCN(C)CC1 ZINC000827243181 661117836 /nfs/dbraw/zinc/11/78/36/661117836.db2.gz HWFNFZUXMOCLSA-CABCVRRESA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1COC2(CCC2)C1)CN1CCN(C)CC1 ZINC000827243182 661117749 /nfs/dbraw/zinc/11/77/49/661117749.db2.gz HWFNFZUXMOCLSA-GJZGRUSLSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H]1COC2(CCC2)C1)CN1CCN(C)CC1 ZINC000827243183 661117894 /nfs/dbraw/zinc/11/78/94/661117894.db2.gz HWFNFZUXMOCLSA-HUUCEWRRSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@H]1COC2(CCC2)C1)CN1CCN(C)CC1 ZINC000827243184 661117901 /nfs/dbraw/zinc/11/79/01/661117901.db2.gz HWFNFZUXMOCLSA-LSDHHAIUSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)N1CCCCC1 ZINC000827319232 661118143 /nfs/dbraw/zinc/11/81/43/661118143.db2.gz BBGIVUAIUYYLTH-CVEARBPZSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)N1CCCCC1 ZINC000827319234 661118238 /nfs/dbraw/zinc/11/82/38/661118238.db2.gz BBGIVUAIUYYLTH-HOTGVXAUSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000827319236 661118168 /nfs/dbraw/zinc/11/81/68/661118168.db2.gz BBGIVUAIUYYLTH-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000827319238 661118160 /nfs/dbraw/zinc/11/81/60/661118160.db2.gz BBGIVUAIUYYLTH-JKSUJKDBSA-N 0 3 352.479 -0.090 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)N1CCCCC1 ZINC000827321349 661118219 /nfs/dbraw/zinc/11/82/19/661118219.db2.gz OMPDDPFEPAUVOP-JTQLQIEISA-N 0 3 353.448 -0.151 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)N1CCCCC1 ZINC000827321354 661118251 /nfs/dbraw/zinc/11/82/51/661118251.db2.gz OMPDDPFEPAUVOP-SNVBAGLBSA-N 0 3 353.448 -0.151 20 0 FBADHN 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FBADHN Cn1ncc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c1Br ZINC000866768600 661450467 /nfs/dbraw/zinc/45/04/67/661450467.db2.gz CQJSUMXNJVOIDX-QMMMGPOBSA-N 0 3 353.242 -0.161 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)c(Br)n1 ZINC000866770285 661451058 /nfs/dbraw/zinc/45/10/58/661451058.db2.gz XKICGWHAPRTTOS-MRVPVSSYSA-N 0 3 353.242 -0.161 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c(Br)n1 ZINC000866770287 661451458 /nfs/dbraw/zinc/45/14/58/661451458.db2.gz XKICGWHAPRTTOS-QMMMGPOBSA-N 0 3 353.242 -0.161 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]CC2([NH3+])CCOCC2)c(Br)n1 ZINC000866779039 661451735 /nfs/dbraw/zinc/45/17/35/661451735.db2.gz GYKNORIYXOOAFL-UHFFFAOYSA-N 0 3 353.242 -0.031 20 0 FBADHN Cn1ncc(S(=O)(=O)[N-]CC2([NH3+])CCOCC2)c1Br ZINC000866779340 661451698 /nfs/dbraw/zinc/45/16/98/661451698.db2.gz LMVLIKXUFVLKBR-UHFFFAOYSA-N 0 3 353.242 -0.031 20 0 FBADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866780056 661451749 /nfs/dbraw/zinc/45/17/49/661451749.db2.gz ZQDUEICYAIEPDJ-LURJTMIESA-N 0 3 358.205 -0.089 20 0 FBADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866780058 661451768 /nfs/dbraw/zinc/45/17/68/661451768.db2.gz ZQDUEICYAIEPDJ-ZCFIWIBFSA-N 0 3 358.205 -0.089 20 0 FBADHN Cn1ncc(S(=O)(=O)[N-]C2(C[NH3+])CCOCC2)c1Br ZINC000866781027 661451643 /nfs/dbraw/zinc/45/16/43/661451643.db2.gz LLBDKOMSISQTPR-UHFFFAOYSA-N 0 3 353.242 -0.031 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]C2(C[NH3+])CCOCC2)c(Br)n1 ZINC000866782513 659986460 /nfs/dbraw/zinc/98/64/60/659986460.db2.gz YOBRPBFSRGHNBL-UHFFFAOYSA-N 0 3 353.242 -0.031 20 0 FBADHN CC1(C)CCNCCN1S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000866802942 661451961 /nfs/dbraw/zinc/45/19/61/661451961.db2.gz OAIZAEMVSAFLOJ-GFCCVEGCSA-N 0 3 353.510 -0.328 20 0 FBADHN CC1(C)CCNCCN1S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000866802944 661452090 /nfs/dbraw/zinc/45/20/90/661452090.db2.gz OAIZAEMVSAFLOJ-LBPRGKRZSA-N 0 3 353.510 -0.328 20 0 FBADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000866861518 657503857 /nfs/dbraw/zinc/50/38/57/657503857.db2.gz QNAZBGKAXVMHPZ-KBPBESRZSA-N 0 3 355.483 -0.443 20 0 FBADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000866861519 657504293 /nfs/dbraw/zinc/50/42/93/657504293.db2.gz QNAZBGKAXVMHPZ-KGLIPLIRSA-N 0 3 355.483 -0.443 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCn2cccn2)CC1 ZINC000866973518 660390883 /nfs/dbraw/zinc/39/08/83/660390883.db2.gz KKMJSZQEMPNJGM-AWEZNQCLSA-N 0 3 355.464 -0.549 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCn2cccn2)CC1 ZINC000866973519 660390963 /nfs/dbraw/zinc/39/09/63/660390963.db2.gz KKMJSZQEMPNJGM-CQSZACIVSA-N 0 3 355.464 -0.549 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000866974077 660396296 /nfs/dbraw/zinc/39/62/96/660396296.db2.gz RNWIGOOOYBZIDF-CYBMUJFWSA-N 0 3 353.448 -0.288 20 0 FBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000866974078 660396460 /nfs/dbraw/zinc/39/64/60/660396460.db2.gz RNWIGOOOYBZIDF-ZDUSSCGKSA-N 0 3 353.448 -0.288 20 0 FBADHN Cn1ncc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1Br ZINC000867003153 660551613 /nfs/dbraw/zinc/55/16/13/660551613.db2.gz GBXVBRGABULNRB-JTQLQIEISA-N 0 3 355.258 -0.227 20 0 FBADHN Cn1ncc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1Br ZINC000867003183 660551593 /nfs/dbraw/zinc/55/15/93/660551593.db2.gz GBXVBRGABULNRB-SNVBAGLBSA-N 0 3 355.258 -0.227 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c(Br)n1 ZINC000867003286 660551610 /nfs/dbraw/zinc/55/16/10/660551610.db2.gz INCVGMDMMNXTKF-JTQLQIEISA-N 0 3 355.258 -0.227 20 0 FBADHN Cn1cc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c(Br)n1 ZINC000867003287 660551590 /nfs/dbraw/zinc/55/15/90/660551590.db2.gz INCVGMDMMNXTKF-SNVBAGLBSA-N 0 3 355.258 -0.227 20 0 FBADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000867123559 661168049 /nfs/dbraw/zinc/16/80/49/661168049.db2.gz BKQDNFFQQSPTSZ-INIZCTEOSA-N 0 3 362.540 -0.395 20 0 FBADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000867123560 661168092 /nfs/dbraw/zinc/16/80/92/661168092.db2.gz BKQDNFFQQSPTSZ-MRXNPFEDSA-N 0 3 362.540 -0.395 20 0 FBADHN CCN(CCNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)C(C)C ZINC000867145909 661168967 /nfs/dbraw/zinc/16/89/67/661168967.db2.gz KVAVKUNQFKQFEX-CYBMUJFWSA-N 0 3 355.526 -0.082 20 0 FBADHN CCN(CCNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)C(C)C ZINC000867145910 661168960 /nfs/dbraw/zinc/16/89/60/661168960.db2.gz KVAVKUNQFKQFEX-ZDUSSCGKSA-N 0 3 355.526 -0.082 20 0 FBADHN C[C@@H]1CCCN1CCNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000867147712 661168985 /nfs/dbraw/zinc/16/89/85/661168985.db2.gz KGHMVTPFVVQHCA-CHWSQXEVSA-N 0 3 353.510 -0.328 20 0 FBADHN C[C@@H]1CCCN1CCNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000867147713 661168913 /nfs/dbraw/zinc/16/89/13/661168913.db2.gz KGHMVTPFVVQHCA-OLZOCXBDSA-N 0 3 353.510 -0.328 20 0 FBADHN C[C@H]1CCCN1CCNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000867147714 661168922 /nfs/dbraw/zinc/16/89/22/661168922.db2.gz KGHMVTPFVVQHCA-QWHCGFSZSA-N 0 3 353.510 -0.328 20 0 FBADHN C[C@H]1CCCN1CCNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000867147715 661168981 /nfs/dbraw/zinc/16/89/81/661168981.db2.gz KGHMVTPFVVQHCA-STQMWFEESA-N 0 3 353.510 -0.328 20 0 FBADHN CN1CCC2(CCCN(S(=O)(=O)c3cn(C)c(=O)[nH]c3=O)C2)CC1 ZINC000867224920 661174129 /nfs/dbraw/zinc/17/41/29/661174129.db2.gz GWIBCQHRHWKBCG-UHFFFAOYSA-N 0 3 356.448 -0.018 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000867275855 661183485 /nfs/dbraw/zinc/18/34/85/661183485.db2.gz FEZGJOHKIGJIPO-GASCZTMLSA-N 0 3 352.479 -0.139 20 0 FBADHN CCN1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)CC1 ZINC000867276223 661183687 /nfs/dbraw/zinc/18/36/87/661183687.db2.gz KXWMSDNWSLEFMO-UHFFFAOYSA-N 0 3 351.495 -0.611 20 0 FBADHN CCCCN(CCO)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867282912 661184388 /nfs/dbraw/zinc/18/43/88/661184388.db2.gz WRQQMWWLWWPYSS-UHFFFAOYSA-N 0 3 354.495 -0.154 20 0 FBADHN CC[C@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)CCO1 ZINC000867323232 661197132 /nfs/dbraw/zinc/19/71/32/661197132.db2.gz MHTSKOBVEOLGKR-INIZCTEOSA-N 0 3 352.479 -0.138 20 0 FBADHN CC[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)CCO1 ZINC000867323233 661197419 /nfs/dbraw/zinc/19/74/19/661197419.db2.gz MHTSKOBVEOLGKR-MRXNPFEDSA-N 0 3 352.479 -0.138 20 0 FBADHN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867363019 661215556 /nfs/dbraw/zinc/21/55/56/661215556.db2.gz YYHYWQIFNWCSSF-CABCVRRESA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@@H](C)CO1 ZINC000867363020 661215756 /nfs/dbraw/zinc/21/57/56/661215756.db2.gz YYHYWQIFNWCSSF-GJZGRUSLSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@H](C)CO1 ZINC000867363021 661215583 /nfs/dbraw/zinc/21/55/83/661215583.db2.gz YYHYWQIFNWCSSF-HUUCEWRRSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@@H](C)CO1 ZINC000867363022 661215712 /nfs/dbraw/zinc/21/57/12/661215712.db2.gz YYHYWQIFNWCSSF-LSDHHAIUSA-N 0 3 352.479 -0.139 20 0 FBADHN CN(C)CCCS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000867366853 661216719 /nfs/dbraw/zinc/21/67/19/661216719.db2.gz GYCWPJWTDFKEOE-VXGBXAGGSA-N 0 3 351.469 -0.162 20 0 FBADHN CN1CCN(C2CCN(C(=O)C(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000867371726 661217913 /nfs/dbraw/zinc/21/79/13/661217913.db2.gz AQTDWAGDJLJPCA-UHFFFAOYSA-N 0 3 352.479 -0.138 20 0 FBADHN CC[C@H]1COCCN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867376063 661218764 /nfs/dbraw/zinc/21/87/64/661218764.db2.gz PCNQFRFXKXCNCJ-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN CC[C@@H]1COCCN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867376064 661218753 /nfs/dbraw/zinc/21/87/53/661218753.db2.gz PCNQFRFXKXCNCJ-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000867383720 661225652 /nfs/dbraw/zinc/22/56/52/661225652.db2.gz GJRCUJACTKYKJH-KBPBESRZSA-N 0 3 356.467 -0.016 20 0 FBADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000867383721 661225780 /nfs/dbraw/zinc/22/57/80/661225780.db2.gz GJRCUJACTKYKJH-KGLIPLIRSA-N 0 3 356.467 -0.016 20 0 FBADHN CN1CCC(CNS(=O)(=O)CCn2cccn2)(N2CCOCC2)CC1 ZINC000867401165 661236400 /nfs/dbraw/zinc/23/64/00/661236400.db2.gz IOHKSUUMUJGYOP-UHFFFAOYSA-N 0 3 371.507 -0.401 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)nn1 ZINC000867402121 661237493 /nfs/dbraw/zinc/23/74/93/661237493.db2.gz OVMKLRKSPHGKGO-UHFFFAOYSA-N 0 3 369.491 -0.140 20 0 FBADHN CN1CC[C@@](O)(CNC(=O)c2cc(I)nn2C)C1 ZINC000867420036 661240828 /nfs/dbraw/zinc/24/08/28/661240828.db2.gz RSHHNZDPRBBINL-LLVKDONJSA-N 0 3 364.187 -0.179 20 0 FBADHN CN1CC[C@](O)(CNC(=O)c2cc(I)nn2C)C1 ZINC000867420037 661240887 /nfs/dbraw/zinc/24/08/87/661240887.db2.gz RSHHNZDPRBBINL-NSHDSACASA-N 0 3 364.187 -0.179 20 0 FBADHN CCOC(=O)C1(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCC1 ZINC000867451453 661453739 /nfs/dbraw/zinc/45/37/39/661453739.db2.gz XBBAWBPLYXDVRA-GFCCVEGCSA-N 0 3 361.464 -0.146 20 0 FBADHN CCOC(=O)C1(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCC1 ZINC000867451454 661453603 /nfs/dbraw/zinc/45/36/03/661453603.db2.gz XBBAWBPLYXDVRA-LBPRGKRZSA-N 0 3 361.464 -0.146 20 0 FBADHN CCOC(=O)C1(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)CCC1 ZINC000867458144 661454604 /nfs/dbraw/zinc/45/46/04/661454604.db2.gz JSBPVHOALDITRB-UHFFFAOYSA-N 0 3 361.464 -0.492 20 0 FBADHN CCN(CCO)CCNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000867462367 661454782 /nfs/dbraw/zinc/45/47/82/661454782.db2.gz QIDCBENVALHPNX-UHFFFAOYSA-N 0 3 358.483 -0.031 20 0 FBADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867477579 661455170 /nfs/dbraw/zinc/45/51/70/661455170.db2.gz XRDCBZHBSSYWCQ-CABCVRRESA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1OCCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@H]1C ZINC000867477580 661455286 /nfs/dbraw/zinc/45/52/86/661455286.db2.gz XRDCBZHBSSYWCQ-GJZGRUSLSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@H]1OCCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@@H]1C ZINC000867477581 661455066 /nfs/dbraw/zinc/45/50/66/661455066.db2.gz XRDCBZHBSSYWCQ-HUUCEWRRSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@H]1OCCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@H]1C ZINC000867477582 661455016 /nfs/dbraw/zinc/45/50/16/661455016.db2.gz XRDCBZHBSSYWCQ-LSDHHAIUSA-N 0 3 352.479 -0.139 20 0 FBADHN CN1CCN(C2CCN(C(=O)C(=O)N3CCC[C@]3(C)CO)CC2)CC1 ZINC000867494066 661455618 /nfs/dbraw/zinc/45/56/18/661455618.db2.gz PWEUOPKDFADNPV-GOSISDBHSA-N 0 3 352.479 -0.402 20 0 FBADHN CN1CCN(C2CCN(C(=O)C(=O)N3CCC[C@@]3(C)CO)CC2)CC1 ZINC000867494067 661455774 /nfs/dbraw/zinc/45/57/74/661455774.db2.gz PWEUOPKDFADNPV-SFHVURJKSA-N 0 3 352.479 -0.402 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@@H]1CO ZINC000867495342 661455846 /nfs/dbraw/zinc/45/58/46/661455846.db2.gz YGVJWRQRTRTSFG-GDBMZVCRSA-N 0 3 352.479 -0.546 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@@H]1CO ZINC000867495343 661455560 /nfs/dbraw/zinc/45/55/60/661455560.db2.gz YGVJWRQRTRTSFG-GOEBONIOSA-N 0 3 352.479 -0.546 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@H]1CO ZINC000867495344 661455634 /nfs/dbraw/zinc/45/56/34/661455634.db2.gz YGVJWRQRTRTSFG-HOCLYGCPSA-N 0 3 352.479 -0.546 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)[C@H]1CO ZINC000867495345 661455759 /nfs/dbraw/zinc/45/57/59/661455759.db2.gz YGVJWRQRTRTSFG-ZBFHGGJFSA-N 0 3 352.479 -0.546 20 0 FBADHN C[C@H]1CN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CCN1CCO ZINC000867550135 661457222 /nfs/dbraw/zinc/45/72/22/661457222.db2.gz WZFINIYKIFXJDA-KBPBESRZSA-N 0 3 358.483 -0.034 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CCN1CCO ZINC000867550137 661457000 /nfs/dbraw/zinc/45/70/00/661457000.db2.gz WZFINIYKIFXJDA-KGLIPLIRSA-N 0 3 358.483 -0.034 20 0 FBADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000867581075 661458532 /nfs/dbraw/zinc/45/85/32/661458532.db2.gz IPAINLIHJRXJNL-INIZCTEOSA-N 0 3 363.524 -0.063 20 0 FBADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000867581076 661458588 /nfs/dbraw/zinc/45/85/88/661458588.db2.gz IPAINLIHJRXJNL-MRXNPFEDSA-N 0 3 363.524 -0.063 20 0 FBADHN O=C(NC[C@@H]1CCN1C1CCCCCC1)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000867601157 661459149 /nfs/dbraw/zinc/45/91/49/661459149.db2.gz HYNMEIYOBAEUMV-BPUTZDHNSA-N 0 3 353.463 -0.289 20 0 FBADHN O=C(NC[C@@H]1CCN1C1CCCCCC1)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000867601158 661459469 /nfs/dbraw/zinc/45/94/69/661459469.db2.gz HYNMEIYOBAEUMV-CWRNSKLLSA-N 0 3 353.463 -0.289 20 0 FBADHN O=C(NC[C@@H]1CCN1C1CCCCCC1)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000867601159 661459212 /nfs/dbraw/zinc/45/92/12/661459212.db2.gz HYNMEIYOBAEUMV-KBMXLJTQSA-N 0 3 353.463 -0.289 20 0 FBADHN O=C(NC[C@@H]1CCN1C1CCCCCC1)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000867601160 661459459 /nfs/dbraw/zinc/45/94/59/661459459.db2.gz HYNMEIYOBAEUMV-VNQPRFMTSA-N 0 3 353.463 -0.289 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCSC2)CC1=O ZINC000867622813 661459554 /nfs/dbraw/zinc/45/95/54/661459554.db2.gz HJGGTUHMFZTUFU-CYBMUJFWSA-N 0 3 356.492 -0.522 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)NCC[C@H]2CCSC2)CC1=O ZINC000867622814 661459561 /nfs/dbraw/zinc/45/95/61/661459561.db2.gz HJGGTUHMFZTUFU-ZDUSSCGKSA-N 0 3 356.492 -0.522 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3CSC[C@@H]3C2)CC1=O ZINC000867624153 661459751 /nfs/dbraw/zinc/45/97/51/661459751.db2.gz SHNAGBSFBVZUMU-KBPBESRZSA-N 0 3 368.503 -0.570 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CSC[C@@H]3C2)CC1=O ZINC000867624154 661459797 /nfs/dbraw/zinc/45/97/97/661459797.db2.gz SHNAGBSFBVZUMU-KGLIPLIRSA-N 0 3 368.503 -0.570 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3CSC[C@H]3C2)CC1=O ZINC000867624155 661459637 /nfs/dbraw/zinc/45/96/37/661459637.db2.gz SHNAGBSFBVZUMU-UONOGXRCSA-N 0 3 368.503 -0.570 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CSC[C@H]3C2)CC1=O ZINC000867624157 661460114 /nfs/dbraw/zinc/46/01/14/661460114.db2.gz SHNAGBSFBVZUMU-ZIAGYGMSSA-N 0 3 368.503 -0.570 20 0 FBADHN COC[C@@H]1CCCN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867650859 661460816 /nfs/dbraw/zinc/46/08/16/661460816.db2.gz XZAKSKMANJIKNZ-INIZCTEOSA-N 0 3 352.479 -0.138 20 0 FBADHN COC[C@H]1CCCN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867650860 661460660 /nfs/dbraw/zinc/46/06/60/661460660.db2.gz XZAKSKMANJIKNZ-MRXNPFEDSA-N 0 3 352.479 -0.138 20 0 FBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)N(C)C(C)C)CC1=O ZINC000867709429 661461424 /nfs/dbraw/zinc/46/14/24/661461424.db2.gz KQTCMHXOTNFRDH-CYBMUJFWSA-N 0 3 350.485 -0.660 20 0 FBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)N(C)C(C)C)CC1=O ZINC000867709430 661461411 /nfs/dbraw/zinc/46/14/11/661461411.db2.gz KQTCMHXOTNFRDH-ZDUSSCGKSA-N 0 3 350.485 -0.660 20 0 FBADHN CO[C@H]1CC[C@H](C)N(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000867717938 661461659 /nfs/dbraw/zinc/46/16/59/661461659.db2.gz QEWKDYVOKKZDCX-KBPBESRZSA-N 0 3 354.451 -0.755 20 0 FBADHN CO[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000867717943 661461821 /nfs/dbraw/zinc/46/18/21/661461821.db2.gz QEWKDYVOKKZDCX-KGLIPLIRSA-N 0 3 354.451 -0.755 20 0 FBADHN CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000867717945 661461645 /nfs/dbraw/zinc/46/16/45/661461645.db2.gz QEWKDYVOKKZDCX-UONOGXRCSA-N 0 3 354.451 -0.755 20 0 FBADHN CO[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000867717947 661461761 /nfs/dbraw/zinc/46/17/61/661461761.db2.gz QEWKDYVOKKZDCX-ZIAGYGMSSA-N 0 3 354.451 -0.755 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CCC1(C)C ZINC000867740801 661462138 /nfs/dbraw/zinc/46/21/38/661462138.db2.gz JSGGXMKYIBHMEE-HNNXBMFYSA-N 0 3 352.479 -0.138 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CCC1(C)C ZINC000867740802 661462074 /nfs/dbraw/zinc/46/20/74/661462074.db2.gz JSGGXMKYIBHMEE-OAHLLOKOSA-N 0 3 352.479 -0.138 20 0 FBADHN CN1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CCC1(C)C ZINC000867740895 661462187 /nfs/dbraw/zinc/46/21/87/661462187.db2.gz MMKNMRLKGDIBBA-UHFFFAOYSA-N 0 3 351.455 -0.013 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CCC1(C)C ZINC000867740906 661462126 /nfs/dbraw/zinc/46/21/26/661462126.db2.gz MZNDMFYAMICFFK-CYBMUJFWSA-N 0 3 352.435 -0.018 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CCC1(C)C ZINC000867740907 661462532 /nfs/dbraw/zinc/46/25/32/661462532.db2.gz MZNDMFYAMICFFK-ZDUSSCGKSA-N 0 3 352.435 -0.018 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCCN2CCCS2(=O)=O)CCC1(C)C ZINC000867741281 661462732 /nfs/dbraw/zinc/46/27/32/661462732.db2.gz YSFLJXKUPIOEGT-UHFFFAOYSA-N 0 3 374.507 -0.529 20 0 FBADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741710 661462806 /nfs/dbraw/zinc/46/28/06/661462806.db2.gz MXXIICPIQGPFDU-CYBMUJFWSA-N 0 3 374.507 -0.531 20 0 FBADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867741711 661462447 /nfs/dbraw/zinc/46/24/47/661462447.db2.gz MXXIICPIQGPFDU-ZDUSSCGKSA-N 0 3 374.507 -0.531 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCC1(C)C ZINC000867742047 661462783 /nfs/dbraw/zinc/46/27/83/661462783.db2.gz XYZVBIQMWAHLIB-UHFFFAOYSA-N 0 3 354.495 -0.156 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867742170 661462377 /nfs/dbraw/zinc/46/23/77/661462377.db2.gz CEPCJQIWCWVUEL-CYBMUJFWSA-N 0 3 374.507 -0.531 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000867742171 661462633 /nfs/dbraw/zinc/46/26/33/661462633.db2.gz CEPCJQIWCWVUEL-ZDUSSCGKSA-N 0 3 374.507 -0.531 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CCO1 ZINC000867742243 661462717 /nfs/dbraw/zinc/46/27/17/661462717.db2.gz FKKXHMGRJRHUNF-AWEZNQCLSA-N 0 3 354.451 -0.707 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CCO1 ZINC000867742244 661462809 /nfs/dbraw/zinc/46/28/09/661462809.db2.gz FKKXHMGRJRHUNF-CQSZACIVSA-N 0 3 354.451 -0.707 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@H](C)N1CCO ZINC000867742449 661462422 /nfs/dbraw/zinc/46/24/22/661462422.db2.gz MYAXEPPRMGSUBL-GASCZTMLSA-N 0 3 354.495 -0.157 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CCC1(C)C ZINC000867742918 661462792 /nfs/dbraw/zinc/46/27/92/661462792.db2.gz ARRULYWWUCUJIX-UHFFFAOYSA-N 0 3 354.495 -0.156 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CCC1(C)C ZINC000867743189 661462485 /nfs/dbraw/zinc/46/24/85/661462485.db2.gz LUNMZQCXWWKPRC-UHFFFAOYSA-N 0 3 360.480 -0.967 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000867743346 661462349 /nfs/dbraw/zinc/46/23/49/661462349.db2.gz ANGPTFIPGHSYTJ-UHFFFAOYSA-N 0 3 354.451 -0.754 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CCC1(C)C ZINC000867743780 661462650 /nfs/dbraw/zinc/46/26/50/661462650.db2.gz YHFRRIGBSCXXCM-CYBMUJFWSA-N 0 3 353.467 -0.164 20 0 FBADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CCC1(C)C ZINC000867743781 661462389 /nfs/dbraw/zinc/46/23/89/661462389.db2.gz YHFRRIGBSCXXCM-ZDUSSCGKSA-N 0 3 353.467 -0.164 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000867765433 661463108 /nfs/dbraw/zinc/46/31/08/661463108.db2.gz POARSYJRPDGUTD-OKILXGFUSA-N 0 3 351.428 -0.017 20 0 FBADHN COCC1(CNC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)CC1 ZINC000867809300 661464870 /nfs/dbraw/zinc/46/48/70/661464870.db2.gz OGKLLILYELXENR-UHFFFAOYSA-N 0 3 352.479 -0.232 20 0 FBADHN CN(C)CCCS(=O)(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC000867813843 661464927 /nfs/dbraw/zinc/46/49/27/661464927.db2.gz DVSHIFFPEIZZOU-UHFFFAOYSA-N 0 3 353.452 -0.224 20 0 FBADHN CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000867842961 661465465 /nfs/dbraw/zinc/46/54/65/661465465.db2.gz CEJWPWPOIRFAFB-UHFFFAOYSA-N 0 3 352.479 -0.423 20 0 FBADHN N[C@@H](C(=O)NCC(=O)N1CCNCC1)c1cccc(Br)c1 ZINC000867966305 661467051 /nfs/dbraw/zinc/46/70/51/661467051.db2.gz NWPLQRZRHSESLQ-CYBMUJFWSA-N 0 3 355.236 -0.003 20 0 FBADHN N[C@H](C(=O)NCC(=O)N1CCNCC1)c1cccc(Br)c1 ZINC000867966306 661466995 /nfs/dbraw/zinc/46/69/95/661466995.db2.gz NWPLQRZRHSESLQ-ZDUSSCGKSA-N 0 3 355.236 -0.003 20 0 FBADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(F)F ZINC000867969275 661466888 /nfs/dbraw/zinc/46/68/88/661466888.db2.gz NCEOSDUQMNYCPB-VIFPVBQESA-N 0 3 352.382 -0.061 20 0 FBADHN COCCNCC(=O)NCc1c(I)cnn1C ZINC000868053415 661467224 /nfs/dbraw/zinc/46/72/24/661467224.db2.gz YVVXBSXMXHROEC-UHFFFAOYSA-N 0 3 352.176 -0.123 20 0 FBADHN COCCN1CN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC1=O ZINC000868117383 661467657 /nfs/dbraw/zinc/46/76/57/661467657.db2.gz OFHCMJYPBQEJLR-LBPRGKRZSA-N 0 3 358.439 -0.284 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@]12COC(=O)N1CCOC2 ZINC000868215609 661468576 /nfs/dbraw/zinc/46/85/76/661468576.db2.gz DLOWDRZSHIOIIM-IOASZLSFSA-N 0 3 354.407 -0.630 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@@]12COC(=O)N1CCOC2 ZINC000868215610 661468593 /nfs/dbraw/zinc/46/85/93/661468593.db2.gz DLOWDRZSHIOIIM-WOSRLPQWSA-N 0 3 354.407 -0.630 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@]12COC(=O)N1CCOC2 ZINC000868215611 661468307 /nfs/dbraw/zinc/46/83/07/661468307.db2.gz DLOWDRZSHIOIIM-XJKCOSOUSA-N 0 3 354.407 -0.630 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@]12COC(=O)N1CCOC2 ZINC000868215612 661468460 /nfs/dbraw/zinc/46/84/60/661468460.db2.gz DLOWDRZSHIOIIM-ZENOOKHLSA-N 0 3 354.407 -0.630 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000868281715 661468938 /nfs/dbraw/zinc/46/89/38/661468938.db2.gz UDPZVXGUYIDCEY-BBRMVZONSA-N 0 3 356.423 -0.382 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000868281716 661469016 /nfs/dbraw/zinc/46/90/16/661469016.db2.gz UDPZVXGUYIDCEY-CJNGLKHVSA-N 0 3 356.423 -0.382 20 0 FBADHN COCCN1CCC[C@@H]1CNC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000868281717 661468896 /nfs/dbraw/zinc/46/88/96/661468896.db2.gz UDPZVXGUYIDCEY-CZUORRHYSA-N 0 3 356.423 -0.382 20 0 FBADHN COCCN1CCC[C@H]1CNC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000868281720 661468983 /nfs/dbraw/zinc/46/89/83/661468983.db2.gz UDPZVXGUYIDCEY-XJKSGUPXSA-N 0 3 356.423 -0.382 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)c1cc(I)nn1C ZINC000868345999 661469881 /nfs/dbraw/zinc/46/98/81/661469881.db2.gz WDVBHCVMHFVENQ-SSDOTTSWSA-N 0 3 352.176 -0.323 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)c1cc(I)nn1C ZINC000868346000 661469913 /nfs/dbraw/zinc/46/99/13/661469913.db2.gz WDVBHCVMHFVENQ-ZETCQYMHSA-N 0 3 352.176 -0.323 20 0 FBADHN 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FBADHN CCCN(C(=O)NC[C@]12COCCN1C(=O)COC2)[C@H]1CCN(C)C1 ZINC000876190171 661529044 /nfs/dbraw/zinc/52/90/44/661529044.db2.gz KEDUQJYFWSNOOV-WMLDXEAASA-N 0 3 354.451 -0.260 20 0 FBADHN CCCN(C(=O)NC[C@@]12COCCN1C(=O)COC2)[C@H]1CCN(C)C1 ZINC000876190173 661529013 /nfs/dbraw/zinc/52/90/13/661529013.db2.gz KEDUQJYFWSNOOV-YOEHRIQHSA-N 0 3 354.451 -0.260 20 0 FBADHN O=C(NC[C@@]12COCCN1C(=O)COC2)N1CC[C@@H](N2CC=CC2)C1 ZINC000876190596 661529382 /nfs/dbraw/zinc/52/93/82/661529382.db2.gz DTCLBSYSYNDHIV-PBHICJAKSA-N 0 3 350.419 -0.730 20 0 FBADHN O=C(NC[C@]12COCCN1C(=O)COC2)N1CC[C@@H](N2CC=CC2)C1 ZINC000876190600 661529281 /nfs/dbraw/zinc/52/92/81/661529281.db2.gz DTCLBSYSYNDHIV-RHSMWYFYSA-N 0 3 350.419 -0.730 20 0 FBADHN O=C(NC[C@]12COCCN1C(=O)COC2)N1CC[C@H](N2CC=CC2)C1 ZINC000876190602 661529398 /nfs/dbraw/zinc/52/93/98/661529398.db2.gz DTCLBSYSYNDHIV-WMLDXEAASA-N 0 3 350.419 -0.730 20 0 FBADHN O=C(NC[C@@]12COCCN1C(=O)COC2)N1CC[C@H](N2CC=CC2)C1 ZINC000876190604 661529296 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CC(C)CN(CCN(C)C)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000876194873 661530628 /nfs/dbraw/zinc/53/06/28/661530628.db2.gz AXSGWNSVDTVYAY-QGZVFWFLSA-N 0 3 356.467 -0.157 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC000876218696 661531160 /nfs/dbraw/zinc/53/11/60/661531160.db2.gz BRNLSOKLUSMJBC-UHFFFAOYSA-N 0 3 363.528 -0.420 20 0 FBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CCN1CCCS1(=O)=O ZINC000876471184 661531510 /nfs/dbraw/zinc/53/15/10/661531510.db2.gz BBXIIMBRTKBDHJ-HNNXBMFYSA-N 0 3 363.480 -0.782 20 0 FBADHN COC[C@]1(CN(C)C)COCCN1C(=O)CCN1CCCS1(=O)=O ZINC000876471187 661531634 /nfs/dbraw/zinc/53/16/34/661531634.db2.gz BBXIIMBRTKBDHJ-OAHLLOKOSA-N 0 3 363.480 -0.782 20 0 FBADHN CNC(=O)c1ccc(C(=O)N2CCOC[C@@]2(COC)CN(C)C)cn1 ZINC000876471574 661531751 /nfs/dbraw/zinc/53/17/51/661531751.db2.gz DFPUJLKYSWIOEU-KRWDZBQOSA-N 0 3 350.419 -0.140 20 0 FBADHN CNC(=O)c1ccc(C(=O)N2CCOC[C@]2(COC)CN(C)C)cn1 ZINC000876471576 661531464 /nfs/dbraw/zinc/53/14/64/661531464.db2.gz 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/nfs/dbraw/zinc/53/21/45/661532145.db2.gz SLSNPQCZSPVJLN-YOEHRIQHSA-N 0 3 357.451 -0.713 20 0 FBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CCCN1C(=O)CCC1=O ZINC000876473819 661531991 /nfs/dbraw/zinc/53/19/91/661531991.db2.gz ZQYFIGZLTGSVGE-KRWDZBQOSA-N 0 3 355.435 -0.279 20 0 FBADHN COC[C@]1(CN(C)C)COCCN1C(=O)CCCN1C(=O)CCC1=O ZINC000876473820 661532076 /nfs/dbraw/zinc/53/20/76/661532076.db2.gz ZQYFIGZLTGSVGE-QGZVFWFLSA-N 0 3 355.435 -0.279 20 0 FBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cnc(C(=O)OC)cn1 ZINC000876473933 661532154 /nfs/dbraw/zinc/53/21/54/661532154.db2.gz VIKDKOUIHLFNEK-INIZCTEOSA-N 0 3 352.391 -0.318 20 0 FBADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cnc(C(=O)OC)cn1 ZINC000876473934 661532115 /nfs/dbraw/zinc/53/21/15/661532115.db2.gz VIKDKOUIHLFNEK-MRXNPFEDSA-N 0 3 352.391 -0.318 20 0 FBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000876474427 661532071 /nfs/dbraw/zinc/53/20/71/661532071.db2.gz DEFPQHYPVJFZQJ-INIZCTEOSA-N 0 3 354.455 -0.224 20 0 FBADHN 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ZINC000882495631 661571619 /nfs/dbraw/zinc/57/16/19/661571619.db2.gz VJYZDIYSLZCVMD-FPCVCCKLSA-N 0 3 352.479 -0.045 20 0 FBADHN CCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC)O1 ZINC000882495632 661571637 /nfs/dbraw/zinc/57/16/37/661571637.db2.gz VJYZDIYSLZCVMD-GEEKYZPCSA-N 0 3 352.479 -0.045 20 0 FBADHN CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2CC)O1 ZINC000882495633 661571702 /nfs/dbraw/zinc/57/17/02/661571702.db2.gz VJYZDIYSLZCVMD-SYMSYNOKSA-N 0 3 352.479 -0.045 20 0 FBADHN CCN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC)O1 ZINC000882495634 661571768 /nfs/dbraw/zinc/57/17/68/661571768.db2.gz VJYZDIYSLZCVMD-YHUYYLMFSA-N 0 3 352.479 -0.045 20 0 FBADHN O=C(CCN1CCOCC1)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000882632094 661572502 /nfs/dbraw/zinc/57/25/02/661572502.db2.gz QYNLXTSUMXEFKS-KRWDZBQOSA-N 0 3 354.495 -0.379 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000882632095 661572581 /nfs/dbraw/zinc/57/25/81/661572581.db2.gz QYNLXTSUMXEFKS-QGZVFWFLSA-N 0 3 354.495 -0.379 20 0 FBADHN CN(C)Cc1ccc(S(=O)(=O)N2CC(O)(c3ncnn3C)C2)cc1 ZINC000882676723 661573462 /nfs/dbraw/zinc/57/34/62/661573462.db2.gz YSAHWHRUIUNCJL-UHFFFAOYSA-N 0 3 351.432 -0.231 20 0 FBADHN CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882767863 661574545 /nfs/dbraw/zinc/57/45/45/661574545.db2.gz FZUQBWMHQINKRR-UHFFFAOYSA-N 0 3 353.510 -0.232 20 0 FBADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882768381 661574536 /nfs/dbraw/zinc/57/45/36/661574536.db2.gz BOUMECOVENOJBP-UHFFFAOYSA-N 0 3 353.510 -0.184 20 0 FBADHN Cn1cc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)c(=O)n(C)c1=O ZINC000882770032 661574508 /nfs/dbraw/zinc/57/45/08/661574508.db2.gz VNXYZDOMEYUQHZ-UHFFFAOYSA-N 0 3 356.448 -0.667 20 0 FBADHN CN(CCNc1ccc(C(=O)N2CCOCC2)cn1)CCOCCO ZINC000882951012 661575927 /nfs/dbraw/zinc/57/59/27/661575927.db2.gz KTWKKGUINFKOIN-UHFFFAOYSA-N 0 3 352.435 -0.093 20 0 FBADHN CN(CCNc1ccnc(C(=O)N2CCOCC2)c1)CCOCCO ZINC000882951062 661575915 /nfs/dbraw/zinc/57/59/15/661575915.db2.gz 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/nfs/dbraw/zinc/57/65/53/661576553.db2.gz CDULSXOUEFEMRE-AWEZNQCLSA-N 0 3 354.451 -0.083 20 0 FBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@@H]2COCCO2)CC1 ZINC000883165340 661576577 /nfs/dbraw/zinc/57/65/77/661576577.db2.gz CDULSXOUEFEMRE-CQSZACIVSA-N 0 3 354.451 -0.083 20 0 FBADHN Cn1nc2c(c1CNC[C@@]13COCCN1C(=O)COC3)CSCC2 ZINC000883199225 661576514 /nfs/dbraw/zinc/57/65/14/661576514.db2.gz ZIOPCVPHBFCRGI-INIZCTEOSA-N 0 3 352.460 -0.073 20 0 FBADHN Cn1nc2c(c1CNC[C@]13COCCN1C(=O)COC3)CSCC2 ZINC000883199226 661576598 /nfs/dbraw/zinc/57/65/98/661576598.db2.gz ZIOPCVPHBFCRGI-MRXNPFEDSA-N 0 3 352.460 -0.073 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883282813 661576991 /nfs/dbraw/zinc/57/69/91/661576991.db2.gz GRULXZZXGVYNIH-IHRRRGAJSA-N 0 3 374.507 -0.196 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883282814 661577041 /nfs/dbraw/zinc/57/70/41/661577041.db2.gz GRULXZZXGVYNIH-MGPQQGTHSA-N 0 3 374.507 -0.196 20 0 FBADHN CN1CC[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC000883441065 661577309 /nfs/dbraw/zinc/57/73/09/661577309.db2.gz GQTLQYFEEGNXIR-CYBMUJFWSA-N 0 3 351.451 -0.268 20 0 FBADHN CN1CC[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC000883441066 661577346 /nfs/dbraw/zinc/57/73/46/661577346.db2.gz GQTLQYFEEGNXIR-ZDUSSCGKSA-N 0 3 351.451 -0.268 20 0 FBADHN CNS(=O)(=O)c1ccc(N2CCN(C[C@@H]3CNCCO3)CC2)cc1 ZINC000883447912 661577729 /nfs/dbraw/zinc/57/77/29/661577729.db2.gz OTKIRVQBDXRLLJ-HNNXBMFYSA-N 0 3 354.476 -0.295 20 0 FBADHN CNS(=O)(=O)c1ccc(N2CCN(C[C@H]3CNCCO3)CC2)cc1 ZINC000883447913 661577506 /nfs/dbraw/zinc/57/75/06/661577506.db2.gz OTKIRVQBDXRLLJ-OAHLLOKOSA-N 0 3 354.476 -0.295 20 0 FBADHN COc1ccc([C@@H]2CNCCN2S(=O)(=O)C[C@H]2CNCCO2)cc1 ZINC000883475340 661577581 /nfs/dbraw/zinc/57/75/81/661577581.db2.gz RRAPSPIFTUMKJC-CVEARBPZSA-N 0 3 355.460 -0.040 20 0 FBADHN COc1ccc([C@@H]2CNCCN2S(=O)(=O)C[C@@H]2CNCCO2)cc1 ZINC000883475341 661577725 /nfs/dbraw/zinc/57/77/25/661577725.db2.gz 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ZINC000883478000 661577935 /nfs/dbraw/zinc/57/79/35/661577935.db2.gz SPXIWQRTNLSBLQ-JKSUJKDBSA-N 0 3 355.460 -0.040 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCNCCC23CCC3)C1 ZINC000883479084 661577828 /nfs/dbraw/zinc/57/78/28/661577828.db2.gz MCLMOKAMELKLQY-CYBMUJFWSA-N 0 3 365.521 -0.184 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCNCCC23CCC3)C1 ZINC000883479085 661578007 /nfs/dbraw/zinc/57/80/07/661578007.db2.gz MCLMOKAMELKLQY-ZDUSSCGKSA-N 0 3 365.521 -0.184 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCNCCC12CCC2 ZINC000883479403 661578031 /nfs/dbraw/zinc/57/80/31/661578031.db2.gz XFTGPAUEJIGNPR-UHFFFAOYSA-N 0 3 353.510 -0.184 20 0 FBADHN CN1C[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1=O ZINC000883497163 661578055 /nfs/dbraw/zinc/57/80/55/661578055.db2.gz LOYXCXAIUVMMMO-CYBMUJFWSA-N 0 3 351.451 -0.268 20 0 FBADHN CN1C[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1=O ZINC000883497164 661578095 /nfs/dbraw/zinc/57/80/95/661578095.db2.gz LOYXCXAIUVMMMO-ZDUSSCGKSA-N 0 3 351.451 -0.268 20 0 FBADHN CCN(C)C(=O)CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883581932 661578334 /nfs/dbraw/zinc/57/83/34/661578334.db2.gz JCGKEWYDDZSMQT-UHFFFAOYSA-N 0 3 353.467 -0.020 20 0 FBADHN COCC(=O)N1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883656847 661578942 /nfs/dbraw/zinc/57/89/42/661578942.db2.gz LCWPJJBJKZDHMG-UHFFFAOYSA-N 0 3 352.435 -0.952 20 0 FBADHN CC(C)(O)CN1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883657571 661579275 /nfs/dbraw/zinc/57/92/75/661579275.db2.gz GGSKEGDSRNKLGB-UHFFFAOYSA-N 0 3 352.479 -0.354 20 0 FBADHN CCOCCN1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883657789 661579372 /nfs/dbraw/zinc/57/93/72/661579372.db2.gz LQPOGFJDRSFVJY-UHFFFAOYSA-N 0 3 352.479 -0.088 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883658369 661579342 /nfs/dbraw/zinc/57/93/42/661579342.db2.gz AZTVKHIXAKPGPV-CYBMUJFWSA-N 0 3 372.491 -0.729 20 0 FBADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883658370 661579346 /nfs/dbraw/zinc/57/93/46/661579346.db2.gz 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/nfs/dbraw/zinc/62/04/79/661620479.db2.gz ITQAZSXOQZBXMY-UHFFFAOYSA-N 0 3 359.521 -0.053 20 0 FBADHN O=S(=O)(NCc1cn(CC[C@@H]2C[C@H]2C2CC2)nn1)N1CCNCC1 ZINC000887459152 841788509 /nfs/dbraw/zinc/78/85/09/841788509.db2.gz PVDKRHBHLUYNAM-HIFRSBDPSA-N 0 3 354.480 -0.046 20 0 FBADHN O=S(=O)(NCc1cn(CCSC(F)(F)F)nn1)N1CCNCC1 ZINC000887462890 841788342 /nfs/dbraw/zinc/78/83/42/841788342.db2.gz GZPWITLBVCURHG-UHFFFAOYSA-N 0 3 374.414 -0.229 20 0 FBADHN COC(=O)Cn1cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000887546574 841791508 /nfs/dbraw/zinc/79/15/08/841791508.db2.gz XKZNANPUMORUHD-AWEZNQCLSA-N 0 3 350.423 -0.811 20 0 FBADHN COC(=O)Cn1cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000887546575 841791214 /nfs/dbraw/zinc/79/12/14/841791214.db2.gz XKZNANPUMORUHD-CQSZACIVSA-N 0 3 350.423 -0.811 20 0 FBADHN CN1CCCC[C@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000888041763 661623373 /nfs/dbraw/zinc/62/33/73/661623373.db2.gz MOQDQEIXRVNCDN-FZKCQIBNSA-N 0 3 352.479 -0.045 20 0 FBADHN 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/nfs/dbraw/zinc/55/09/02/661550902.db2.gz SLEHGLOSJGCWOA-OLZOCXBDSA-N 0 3 351.451 -0.241 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000888774420 661550781 /nfs/dbraw/zinc/55/07/81/661550781.db2.gz SLEHGLOSJGCWOA-QWHCGFSZSA-N 0 3 351.451 -0.241 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000888774421 661550872 /nfs/dbraw/zinc/55/08/72/661550872.db2.gz SLEHGLOSJGCWOA-STQMWFEESA-N 0 3 351.451 -0.241 20 0 FBADHN CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(C)CCN(C)CC2)C1 ZINC000888979268 657455084 /nfs/dbraw/zinc/45/50/84/657455084.db2.gz MXBSLFPMYPUHEO-INIZCTEOSA-N 0 3 354.495 -0.033 20 0 FBADHN CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(C)CCN(C)CC2)C1 ZINC000888979269 657455225 /nfs/dbraw/zinc/45/52/25/657455225.db2.gz MXBSLFPMYPUHEO-MRXNPFEDSA-N 0 3 354.495 -0.033 20 0 FBADHN CCN1C(=S)N=NC1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000889232908 661624390 /nfs/dbraw/zinc/62/43/90/661624390.db2.gz LQIIKWHJVBQZTK-LLVKDONJSA-N 0 3 369.495 -0.109 20 0 FBADHN CCN1C(=S)N=NC1CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000889232909 661624302 /nfs/dbraw/zinc/62/43/02/661624302.db2.gz LQIIKWHJVBQZTK-NSHDSACASA-N 0 3 369.495 -0.109 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000889256911 661624398 /nfs/dbraw/zinc/62/43/98/661624398.db2.gz HKRWBRWWXOFDAV-NEPJUHHUSA-N 0 3 350.427 -0.861 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000889256913 661624166 /nfs/dbraw/zinc/62/41/66/661624166.db2.gz HKRWBRWWXOFDAV-NWDGAFQWSA-N 0 3 350.427 -0.861 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000889256916 661624388 /nfs/dbraw/zinc/62/43/88/661624388.db2.gz HKRWBRWWXOFDAV-RYUDHWBXSA-N 0 3 350.427 -0.861 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000889256919 661624174 /nfs/dbraw/zinc/62/41/74/661624174.db2.gz HKRWBRWWXOFDAV-VXGBXAGGSA-N 0 3 350.427 -0.861 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1N=NC(=S)N1C ZINC000889333135 661581283 /nfs/dbraw/zinc/58/12/83/661581283.db2.gz UHTPPEKPXNHCES-JTQLQIEISA-N 0 3 355.468 -0.592 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC1N=NC(=S)N1C ZINC000889333136 661581212 /nfs/dbraw/zinc/58/12/12/661581212.db2.gz UHTPPEKPXNHCES-SNVBAGLBSA-N 0 3 355.468 -0.592 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000889352642 657663264 /nfs/dbraw/zinc/66/32/64/657663264.db2.gz MYRYOFQHXPBNCX-JHJVBQTASA-N 0 3 360.480 -0.287 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000889352645 657664199 /nfs/dbraw/zinc/66/41/99/657664199.db2.gz MYRYOFQHXPBNCX-UPJWGTAASA-N 0 3 360.480 -0.287 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000889352646 657664346 /nfs/dbraw/zinc/66/43/46/657664346.db2.gz MYRYOFQHXPBNCX-XQQFMLRXSA-N 0 3 360.480 -0.287 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000889352648 657664144 /nfs/dbraw/zinc/66/41/44/657664144.db2.gz MYRYOFQHXPBNCX-YNEHKIRRSA-N 0 3 360.480 -0.287 20 0 FBADHN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000889606119 661624837 /nfs/dbraw/zinc/62/48/37/661624837.db2.gz CHGGFRWTHWTXEK-JHJVBQTASA-N 0 3 356.423 -0.674 20 0 FBADHN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000889606121 661624818 /nfs/dbraw/zinc/62/48/18/661624818.db2.gz CHGGFRWTHWTXEK-YNEHKIRRSA-N 0 3 356.423 -0.674 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000889743196 661624745 /nfs/dbraw/zinc/62/47/45/661624745.db2.gz FALROAZBHCNAJH-KKUMJFAQSA-N 0 3 359.492 -0.284 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000889743197 661624940 /nfs/dbraw/zinc/62/49/40/661624940.db2.gz FALROAZBHCNAJH-RRFJBIMHSA-N 0 3 359.492 -0.284 20 0 FBADHN CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000889743198 661624871 /nfs/dbraw/zinc/62/48/71/661624871.db2.gz FALROAZBHCNAJH-SOUVJXGZSA-N 0 3 359.492 -0.284 20 0 FBADHN 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CN1C[C@H](O)C[C@]1(C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000900205547 662274750 /nfs/dbraw/zinc/27/47/50/662274750.db2.gz SXPGKLSNCGZFRA-CRAIPNDOSA-N 0 3 352.479 -0.546 20 0 FBADHN CN1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000900205550 662274791 /nfs/dbraw/zinc/27/47/91/662274791.db2.gz SXPGKLSNCGZFRA-MAUKXSAKSA-N 0 3 352.479 -0.546 20 0 FBADHN CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000900205557 662274845 /nfs/dbraw/zinc/27/48/45/662274845.db2.gz SXPGKLSNCGZFRA-QAPCUYQASA-N 0 3 352.479 -0.546 20 0 FBADHN CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000900205559 662274706 /nfs/dbraw/zinc/27/47/06/662274706.db2.gz SXPGKLSNCGZFRA-YJBOKZPZSA-N 0 3 352.479 -0.546 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000900207349 662274993 /nfs/dbraw/zinc/27/49/93/662274993.db2.gz VVODJPCEUJLDKD-UHFFFAOYSA-N 0 3 361.464 -0.731 20 0 FBADHN CN1CCN(c2ccncc2NC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000900338756 662276204 /nfs/dbraw/zinc/27/62/04/662276204.db2.gz HHDJOJGLRKZURJ-UHFFFAOYSA-N 0 3 353.448 -0.337 20 0 FBADHN CN(C)CCn1nccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000900465429 662278707 /nfs/dbraw/zinc/27/87/07/662278707.db2.gz SASGLSIQKUYCBL-UHFFFAOYSA-N 0 3 357.480 -0.154 20 0 FBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900480091 662279522 /nfs/dbraw/zinc/27/95/22/662279522.db2.gz AEFFABDBYGKMDR-UHFFFAOYSA-N 0 3 363.480 -0.390 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)N1CCCC1 ZINC000900497027 662279879 /nfs/dbraw/zinc/27/98/79/662279879.db2.gz NVHVWUYBVRRKHZ-AWEZNQCLSA-N 0 3 353.467 -0.149 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)N1CCCC1 ZINC000900497031 662279933 /nfs/dbraw/zinc/27/99/33/662279933.db2.gz NVHVWUYBVRRKHZ-CQSZACIVSA-N 0 3 353.467 -0.149 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC000900504892 662279883 /nfs/dbraw/zinc/27/98/83/662279883.db2.gz PYGKAMPFSPQHNE-AWEZNQCLSA-N 0 3 351.451 -0.268 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC000900504895 662279838 /nfs/dbraw/zinc/27/98/38/662279838.db2.gz PYGKAMPFSPQHNE-CQSZACIVSA-N 0 3 351.451 -0.268 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000900561936 662280950 /nfs/dbraw/zinc/28/09/50/662280950.db2.gz SQPQFCQBMSQGHA-UHFFFAOYSA-N 0 3 351.451 -0.442 20 0 FBADHN CN(C)CCn1nccc1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000900645820 662283160 /nfs/dbraw/zinc/28/31/60/662283160.db2.gz WTHAEBKWRUMBPL-UHFFFAOYSA-N 0 3 350.467 -0.273 20 0 FBADHN CN(C)CCn1nccc1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000900646491 662283192 /nfs/dbraw/zinc/28/31/92/662283192.db2.gz MRFOQQKPKYJHFA-UHFFFAOYSA-N 0 3 357.480 -0.106 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 ZINC000900695702 662284610 /nfs/dbraw/zinc/28/46/10/662284610.db2.gz NOQMUEXHWIYVTO-FVQBIDKESA-N 0 3 350.467 -0.023 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 ZINC000900695703 662284820 /nfs/dbraw/zinc/28/48/20/662284820.db2.gz 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CN(C)CCn1nccc1C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000901000406 660147216 /nfs/dbraw/zinc/14/72/16/660147216.db2.gz VCONZPDCMXHVDH-UHFFFAOYSA-N 0 3 350.452 -0.159 20 0 FBADHN CN(C)CCn1nccc1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000901021283 662296637 /nfs/dbraw/zinc/29/66/37/662296637.db2.gz PCUXGRRWWYDIAC-CHWSQXEVSA-N 0 3 357.480 -0.108 20 0 FBADHN CN(C)CCn1nccc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000901021284 662296653 /nfs/dbraw/zinc/29/66/53/662296653.db2.gz PCUXGRRWWYDIAC-OLZOCXBDSA-N 0 3 357.480 -0.108 20 0 FBADHN CN(C)CCn1nccc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000901021285 662296587 /nfs/dbraw/zinc/29/65/87/662296587.db2.gz PCUXGRRWWYDIAC-QWHCGFSZSA-N 0 3 357.480 -0.108 20 0 FBADHN CN(C)CCn1nccc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000901021286 662296518 /nfs/dbraw/zinc/29/65/18/662296518.db2.gz PCUXGRRWWYDIAC-STQMWFEESA-N 0 3 357.480 -0.108 20 0 FBADHN CS(=O)(=O)N1CC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000901069361 662297651 /nfs/dbraw/zinc/29/76/51/662297651.db2.gz 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ZINC000902614689 662324741 /nfs/dbraw/zinc/32/47/41/662324741.db2.gz JSBKKNFVVDZROD-DVOMOZLQSA-N 0 3 372.491 -0.283 20 0 FBADHN C[C@@H]1CN(CN2C[C@]3(CN4CCC3CC4)OC2=O)C[C@H]1CS(N)(=O)=O ZINC000902614690 662324710 /nfs/dbraw/zinc/32/47/10/662324710.db2.gz JSBKKNFVVDZROD-WWGRRREGSA-N 0 3 372.491 -0.283 20 0 FBADHN CC(C)CN1C(=O)C(=O)N(CN2CC[C@H]3[C@@H]2CCCN3CCO)C1=O ZINC000902643144 662325122 /nfs/dbraw/zinc/32/51/22/662325122.db2.gz KMMQVTZCDWMWHR-KBPBESRZSA-N 0 3 352.435 -0.078 20 0 FBADHN CC(C)CN1C(=O)C(=O)N(CN2CC[C@H]3[C@H]2CCCN3CCO)C1=O ZINC000902643146 662325255 /nfs/dbraw/zinc/32/52/55/662325255.db2.gz KMMQVTZCDWMWHR-KGLIPLIRSA-N 0 3 352.435 -0.078 20 0 FBADHN CC(C)CN1C(=O)C(=O)N(CN2CC[C@@H]3[C@@H]2CCCN3CCO)C1=O ZINC000902643149 662325022 /nfs/dbraw/zinc/32/50/22/662325022.db2.gz KMMQVTZCDWMWHR-UONOGXRCSA-N 0 3 352.435 -0.078 20 0 FBADHN CC(C)CN1C(=O)C(=O)N(CN2CC[C@@H]3[C@H]2CCCN3CCO)C1=O ZINC000902643152 662325272 /nfs/dbraw/zinc/32/52/72/662325272.db2.gz 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662348628 /nfs/dbraw/zinc/34/86/28/662348628.db2.gz POLRDTFYCMTCJE-UHFFFAOYSA-N 0 3 356.189 -0.206 20 0 FBADHN C[C@@H]1C[NH2+]C[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000903529019 662349053 /nfs/dbraw/zinc/34/90/53/662349053.db2.gz COBXWVQGWMCGKL-RNFRBKRXSA-N 0 3 370.216 -0.089 20 0 FBADHN CNC(=O)c1cc(S(=O)(=O)N2CCNCCC23CCOCC3)cn1C ZINC000903547728 662349474 /nfs/dbraw/zinc/34/94/74/662349474.db2.gz QDMUNGXLDUDXDO-UHFFFAOYSA-N 0 3 370.475 -0.082 20 0 FBADHN O=S(=O)(CCCN1CCOCC1)N1CCNCCC12CCOCC2 ZINC000903549045 662349535 /nfs/dbraw/zinc/34/95/35/662349535.db2.gz COXLRTCPUORPLH-UHFFFAOYSA-N 0 3 361.508 -0.117 20 0 FBADHN O=C1C[C@H](S(=O)(=O)N2CCNCCC23CCOCC3)CN1C1CC1 ZINC000903549776 662349529 /nfs/dbraw/zinc/34/95/29/662349529.db2.gz HUTIQEAVTPDIDR-AWEZNQCLSA-N 0 3 357.476 -0.076 20 0 FBADHN O=C1C[C@@H](S(=O)(=O)N2CCNCCC23CCOCC3)CN1C1CC1 ZINC000903549778 662349449 /nfs/dbraw/zinc/34/94/49/662349449.db2.gz HUTIQEAVTPDIDR-CQSZACIVSA-N 0 3 357.476 -0.076 20 0 FBADHN 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/nfs/dbraw/zinc/08/29/01/660082901.db2.gz DWAOKGITBFEWAL-HNNXBMFYSA-N 0 3 352.460 -0.577 20 0 FBADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000911973122 660082887 /nfs/dbraw/zinc/08/28/87/660082887.db2.gz DWAOKGITBFEWAL-OAHLLOKOSA-N 0 3 352.460 -0.577 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nccc(S(C)(=O)=O)n2)CC1 ZINC000911982582 660083244 /nfs/dbraw/zinc/08/32/44/660083244.db2.gz SPXQFOYLPJXAPS-GFCCVEGCSA-N 0 3 353.448 -0.377 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nccc(S(C)(=O)=O)n2)CC1 ZINC000911982583 660083166 /nfs/dbraw/zinc/08/31/66/660083166.db2.gz SPXQFOYLPJXAPS-LBPRGKRZSA-N 0 3 353.448 -0.377 20 0 FBADHN CN1CCNC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000911983176 660083156 /nfs/dbraw/zinc/08/31/56/660083156.db2.gz NRUIXKGASNHGSF-HNNXBMFYSA-N 0 3 370.450 -0.438 20 0 FBADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000911983294 660083275 /nfs/dbraw/zinc/08/32/75/660083275.db2.gz NRUIXKGASNHGSF-OAHLLOKOSA-N 0 3 370.450 -0.438 20 0 FBADHN CN1CCNC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000912059289 660083856 /nfs/dbraw/zinc/08/38/56/660083856.db2.gz OINVHCYCKCRFIA-INIZCTEOSA-N 0 3 366.487 -0.436 20 0 FBADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000912059293 660083839 /nfs/dbraw/zinc/08/38/39/660083839.db2.gz OINVHCYCKCRFIA-MRXNPFEDSA-N 0 3 366.487 -0.436 20 0 FBADHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CNCCN1C ZINC000912078785 660084357 /nfs/dbraw/zinc/08/43/57/660084357.db2.gz ZCAOKCQCKQIVLR-HNNXBMFYSA-N 0 3 369.491 -0.155 20 0 FBADHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CNCCN1C ZINC000912078786 660084388 /nfs/dbraw/zinc/08/43/88/660084388.db2.gz ZCAOKCQCKQIVLR-OAHLLOKOSA-N 0 3 369.491 -0.155 20 0 FBADHN COCCCN(C(=O)C1=NO[C@]2(C1)CCCNC2)[C@H]1CCS(=O)(=O)C1 ZINC000912092000 660084085 /nfs/dbraw/zinc/08/40/85/660084085.db2.gz VPKDARZCUOTOPQ-BBRMVZONSA-N 0 3 373.475 -0.063 20 0 FBADHN COCCCN(C(=O)C1=NO[C@]2(C1)CCCNC2)[C@@H]1CCS(=O)(=O)C1 ZINC000912092002 660083983 /nfs/dbraw/zinc/08/39/83/660083983.db2.gz VPKDARZCUOTOPQ-CJNGLKHVSA-N 0 3 373.475 -0.063 20 0 FBADHN COCCCN(C(=O)C1=NO[C@@]2(C1)CCCNC2)[C@@H]1CCS(=O)(=O)C1 ZINC000912092004 660084059 /nfs/dbraw/zinc/08/40/59/660084059.db2.gz VPKDARZCUOTOPQ-CZUORRHYSA-N 0 3 373.475 -0.063 20 0 FBADHN COCCCN(C(=O)C1=NO[C@@]2(C1)CCCNC2)[C@H]1CCS(=O)(=O)C1 ZINC000912092006 660084041 /nfs/dbraw/zinc/08/40/41/660084041.db2.gz VPKDARZCUOTOPQ-XJKSGUPXSA-N 0 3 373.475 -0.063 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000912138506 660084254 /nfs/dbraw/zinc/08/42/54/660084254.db2.gz ROSQZDHPOGRILN-CYBMUJFWSA-N 0 3 371.463 -0.972 20 0 FBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000912138507 660084365 /nfs/dbraw/zinc/08/43/65/660084365.db2.gz ROSQZDHPOGRILN-ZDUSSCGKSA-N 0 3 371.463 -0.972 20 0 FBADHN CC[C@H](C)C[C@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000912153730 660084352 /nfs/dbraw/zinc/08/43/52/660084352.db2.gz VHWJHXSRGKVLPA-KBPBESRZSA-N 0 3 354.451 -0.721 20 0 FBADHN CC[C@@H](C)C[C@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000912153731 660084313 /nfs/dbraw/zinc/08/43/13/660084313.db2.gz VHWJHXSRGKVLPA-KGLIPLIRSA-N 0 3 354.451 -0.721 20 0 FBADHN CC[C@H](C)C[C@@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000912153732 660084334 /nfs/dbraw/zinc/08/43/34/660084334.db2.gz VHWJHXSRGKVLPA-UONOGXRCSA-N 0 3 354.451 -0.721 20 0 FBADHN CC[C@@H](C)C[C@@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000912153733 660084378 /nfs/dbraw/zinc/08/43/78/660084378.db2.gz VHWJHXSRGKVLPA-ZIAGYGMSSA-N 0 3 354.451 -0.721 20 0 FBADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@H]1CNCCN1C ZINC000912200079 660084577 /nfs/dbraw/zinc/08/45/77/660084577.db2.gz COWXXVRBZPUYGT-AWEZNQCLSA-N 0 3 368.459 -0.022 20 0 FBADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@H]1CNCCN1C ZINC000912200080 660084597 /nfs/dbraw/zinc/08/45/97/660084597.db2.gz COWXXVRBZPUYGT-CQSZACIVSA-N 0 3 368.459 -0.022 20 0 FBADHN CN1CCNC[C@@H]1C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000912225096 660084838 /nfs/dbraw/zinc/08/48/38/660084838.db2.gz JKOYAAGRVRRQPT-CYBMUJFWSA-N 0 3 351.451 -0.349 20 0 FBADHN CN1CCNC[C@H]1C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000912225097 660084899 /nfs/dbraw/zinc/08/48/99/660084899.db2.gz JKOYAAGRVRRQPT-ZDUSSCGKSA-N 0 3 351.451 -0.349 20 0 FBADHN CC(C)N1CCN(CCCC(=O)NC2(CS(C)(=O)=O)COC2)CC1 ZINC000912261221 660085037 /nfs/dbraw/zinc/08/50/37/660085037.db2.gz ZPOLLIKLEVKVPM-UHFFFAOYSA-N 0 3 361.508 -0.278 20 0 FBADHN COC(OC)C(=O)N1CCN(C(=O)c2ccnn2CCN(C)C)CC1 ZINC000912357347 660085509 /nfs/dbraw/zinc/08/55/09/660085509.db2.gz VDGSYKRNVXPKEW-UHFFFAOYSA-N 0 3 353.423 -0.652 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN(C(=O)C(OC)OC)CC2)CC1 ZINC000912357982 660085501 /nfs/dbraw/zinc/08/55/01/660085501.db2.gz GHZTYYUMEPPTFR-UHFFFAOYSA-N 0 3 356.467 -0.696 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@@]2(C)CN3CCC2CC3)cn1C ZINC000912377877 660085744 /nfs/dbraw/zinc/08/57/44/660085744.db2.gz GKFBBMRQHFSQQD-HNNXBMFYSA-N 0 3 355.464 -0.393 20 0 FBADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@]2(C)CN3CCC2CC3)cn1C ZINC000912377879 660085725 /nfs/dbraw/zinc/08/57/25/660085725.db2.gz GKFBBMRQHFSQQD-OAHLLOKOSA-N 0 3 355.464 -0.393 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912379334 660085756 /nfs/dbraw/zinc/08/57/56/660085756.db2.gz WGTOSFMAQNXZLL-ABAIWWIYSA-N 0 3 355.464 -0.313 20 0 FBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912379343 660085750 /nfs/dbraw/zinc/08/57/50/660085750.db2.gz WGTOSFMAQNXZLL-IAQYHMDHSA-N 0 3 355.464 -0.313 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912379344 660085769 /nfs/dbraw/zinc/08/57/69/660085769.db2.gz WGTOSFMAQNXZLL-NHYWBVRUSA-N 0 3 355.464 -0.313 20 0 FBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912379345 660085643 /nfs/dbraw/zinc/08/56/43/660085643.db2.gz WGTOSFMAQNXZLL-XHDPSFHLSA-N 0 3 355.464 -0.313 20 0 FBADHN C[C@]1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CN2CCC1CC2 ZINC000912379572 660085602 /nfs/dbraw/zinc/08/56/02/660085602.db2.gz NXLREWLTPCMGKY-IFIJOSMWSA-N 0 3 369.487 -0.378 20 0 FBADHN C[C@]1(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CN2CCC1CC2 ZINC000912379582 660085636 /nfs/dbraw/zinc/08/56/36/660085636.db2.gz NXLREWLTPCMGKY-JDFRZJQESA-N 0 3 369.487 -0.378 20 0 FBADHN C[C@]1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CN2CCC1CC2 ZINC000912379583 660085707 /nfs/dbraw/zinc/08/57/07/660085707.db2.gz NXLREWLTPCMGKY-MRRJBJDNSA-N 0 3 369.487 -0.378 20 0 FBADHN C[C@]1(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CN2CCC1CC2 ZINC000912379584 660085718 /nfs/dbraw/zinc/08/57/18/660085718.db2.gz NXLREWLTPCMGKY-QEORTHHSSA-N 0 3 369.487 -0.378 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@]2(C)CN3CCC2CC3)cn1C ZINC000912380496 660085713 /nfs/dbraw/zinc/08/57/13/660085713.db2.gz UQMXEXKNQBOXKL-INIZCTEOSA-N 0 3 369.491 -0.003 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N[C@]2(C)CN3CCC2CC3)cn1C ZINC000912380497 660085633 /nfs/dbraw/zinc/08/56/33/660085633.db2.gz UQMXEXKNQBOXKL-MRXNPFEDSA-N 0 3 369.491 -0.003 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CCCN1CCN(C(C)C)CC1 ZINC000912395472 660086194 /nfs/dbraw/zinc/08/61/94/660086194.db2.gz JQAKBKIPUFGQPY-CABCVRRESA-N 0 3 361.508 -0.279 20 0 FBADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCN1CCN(C(C)C)CC1 ZINC000912395476 660086186 /nfs/dbraw/zinc/08/61/86/660086186.db2.gz JQAKBKIPUFGQPY-GJZGRUSLSA-N 0 3 361.508 -0.279 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCCN1CCN(C(C)C)CC1 ZINC000912395477 660086102 /nfs/dbraw/zinc/08/61/02/660086102.db2.gz JQAKBKIPUFGQPY-HUUCEWRRSA-N 0 3 361.508 -0.279 20 0 FBADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCN1CCN(C(C)C)CC1 ZINC000912395478 660086200 /nfs/dbraw/zinc/08/62/00/660086200.db2.gz JQAKBKIPUFGQPY-LSDHHAIUSA-N 0 3 361.508 -0.279 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)NCCS(=O)(=O)C(F)(F)F)CC1=O ZINC000912434007 660086449 /nfs/dbraw/zinc/08/64/49/660086449.db2.gz QVLZBEDUSUTQAD-SECBINFHSA-N 0 3 359.370 -0.553 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)NCCS(=O)(=O)C(F)(F)F)CC1=O ZINC000912434011 660086368 /nfs/dbraw/zinc/08/63/68/660086368.db2.gz QVLZBEDUSUTQAD-VIFPVBQESA-N 0 3 359.370 -0.553 20 0 FBADHN CN1CCCC[C@H]1CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000912443286 660086687 /nfs/dbraw/zinc/08/66/87/660086687.db2.gz WNIGZKWAZYWVLQ-AWEZNQCLSA-N 0 3 361.512 -0.653 20 0 FBADHN CN1CCCC[C@@H]1CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000912443293 660086611 /nfs/dbraw/zinc/08/66/11/660086611.db2.gz WNIGZKWAZYWVLQ-CQSZACIVSA-N 0 3 361.512 -0.653 20 0 FBADHN CC1=C(C)C(=O)N(CCC(=O)N(CCN(C)C)CC(=O)N(C)C)C1=O ZINC000912462052 660086700 /nfs/dbraw/zinc/08/67/00/660086700.db2.gz LPOGHQPJAYUKLT-UHFFFAOYSA-N 0 3 352.435 -0.440 20 0 FBADHN CC[C@H](C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000912475108 660086896 /nfs/dbraw/zinc/08/68/96/660086896.db2.gz QCWCELMBJBOMDY-KBPBESRZSA-N 0 3 362.496 -0.529 20 0 FBADHN CC[C@@H](C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000912475109 660086980 /nfs/dbraw/zinc/08/69/80/660086980.db2.gz QCWCELMBJBOMDY-KGLIPLIRSA-N 0 3 362.496 -0.529 20 0 FBADHN 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CN(C)[C@H](C(=O)N1C[C@H]2OCCN(C(=O)CC(C)(C)O)[C@H]2C1)C1CC1 ZINC000960303860 661866339 /nfs/dbraw/zinc/86/63/39/661866339.db2.gz QZBWQIWHQSBPRE-LZWOXQAQSA-N 0 3 353.463 -0.074 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)CC(C)(C)O)[C@H]2C1)C1CC1 ZINC000960303861 661866283 /nfs/dbraw/zinc/86/62/83/661866283.db2.gz QZBWQIWHQSBPRE-SQWLQELKSA-N 0 3 353.463 -0.074 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)c3cnnn3C)[C@H]2C1)N(C)C ZINC000960316385 661866787 /nfs/dbraw/zinc/86/67/87/661866787.db2.gz BPHGFGNTQWZKKK-FPMFFAJLSA-N 0 3 350.423 -0.793 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)c3cnnn3C)[C@H]2C1)N(C)C ZINC000960316386 661866872 /nfs/dbraw/zinc/86/68/72/661866872.db2.gz BPHGFGNTQWZKKK-KWCYVHTRSA-N 0 3 350.423 -0.793 20 0 FBADHN CC(C)[C@@H](O)C(=O)N1CCO[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000960327113 661867851 /nfs/dbraw/zinc/86/78/51/661867851.db2.gz RQCLUOUUWXRANT-RRFJBIMHSA-N 0 3 353.463 -0.074 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)c3cn(C)nn3)[C@H]2C1)N(C)C ZINC000960330023 661867711 /nfs/dbraw/zinc/86/77/11/661867711.db2.gz WDLBRTVGASJVTG-HZSPNIEDSA-N 0 3 350.423 -0.793 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)c3cn(C)nn3)[C@H]2C1)N(C)C ZINC000960330024 661867671 /nfs/dbraw/zinc/86/76/71/661867671.db2.gz WDLBRTVGASJVTG-MELADBBJSA-N 0 3 350.423 -0.793 20 0 FBADHN CC(C)[C@@H](O)C(=O)N1CCO[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000960331849 661868091 /nfs/dbraw/zinc/86/80/91/661868091.db2.gz JNVXYZUZXPGZAW-ZMSDIMECSA-N 0 3 353.463 -0.074 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)c3ncn(C)n3)[C@H]2C1)N(C)C ZINC000960338107 661868245 /nfs/dbraw/zinc/86/82/45/661868245.db2.gz KTQTTWZFIXXLQX-FRRDWIJNSA-N 0 3 350.423 -0.793 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)c3ncn(C)n3)[C@H]2C1)N(C)C ZINC000960338109 661868214 /nfs/dbraw/zinc/86/82/14/661868214.db2.gz KTQTTWZFIXXLQX-RWMBFGLXSA-N 0 3 350.423 -0.793 20 0 FBADHN C[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21)N1CCCCCC1 ZINC000960372948 661869319 /nfs/dbraw/zinc/86/93/19/661869319.db2.gz BBHATYXVDCCGNK-HZSPNIEDSA-N 0 3 352.435 -0.826 20 0 FBADHN C[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21)N1CCCCCC1 ZINC000960372953 661869462 /nfs/dbraw/zinc/86/94/62/661869462.db2.gz BBHATYXVDCCGNK-MELADBBJSA-N 0 3 352.435 -0.826 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 ZINC000960383409 661869663 /nfs/dbraw/zinc/86/96/63/661869663.db2.gz GQMFIPSXXQDJDK-HZSPNIEDSA-N 0 3 352.435 -0.827 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 ZINC000960383410 661869649 /nfs/dbraw/zinc/86/96/49/661869649.db2.gz GQMFIPSXXQDJDK-MELADBBJSA-N 0 3 352.435 -0.827 20 0 FBADHN CN1CC[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)C(=O)C(C)(C)C)C[C@@H]32)C1 ZINC000960410949 661870588 /nfs/dbraw/zinc/87/05/88/661870588.db2.gz OSMZHNJGERVAGZ-HZSPNIEDSA-N 0 3 351.447 -0.009 20 0 FBADHN CN1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)C(=O)C(C)(C)C)C[C@@H]32)C1 ZINC000960410951 661870728 /nfs/dbraw/zinc/87/07/28/661870728.db2.gz OSMZHNJGERVAGZ-MELADBBJSA-N 0 3 351.447 -0.009 20 0 FBADHN O=C(CN1CCCC1)N1C[C@H]2OCCN(C(=O)CN3CCCC3)[C@H]2C1 ZINC000960415778 661870862 /nfs/dbraw/zinc/87/08/62/661870862.db2.gz OFOFHKKCQUAQEE-JKSUJKDBSA-N 0 3 350.463 -0.384 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)Cn3nccn3)[C@H]2C1)N(C)C ZINC000960435457 661872213 /nfs/dbraw/zinc/87/22/13/661872213.db2.gz PAJFNLUYBBHRDQ-HZSPNIEDSA-N 0 3 350.423 -0.944 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)Cn3nccn3)[C@H]2C1)N(C)C ZINC000960435458 661872248 /nfs/dbraw/zinc/87/22/48/661872248.db2.gz PAJFNLUYBBHRDQ-MELADBBJSA-N 0 3 350.423 -0.944 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)O1 ZINC000960523995 661875988 /nfs/dbraw/zinc/87/59/88/661875988.db2.gz HPBUABFXABFTNL-GAGVYUBLSA-N 0 3 350.463 -0.626 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)N4CCCC4)C[C@H]32)O1 ZINC000960525626 661875963 /nfs/dbraw/zinc/87/59/63/661875963.db2.gz KGMCNIHWWZOIKP-GAGVYUBLSA-N 0 3 350.463 -0.626 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)N(C)C4CC4)C[C@H]32)O1 ZINC000960527803 661875830 /nfs/dbraw/zinc/87/58/30/661875830.db2.gz PBIARWLUNNXGAW-AQFIFQLPSA-N 0 3 350.463 -0.627 20 0 FBADHN CC(C)[C@@H](O)C(=O)N1C[C@H]2OCCN(C(=O)CN(C)C3CCC3)[C@H]2C1 ZINC000960536655 661876510 /nfs/dbraw/zinc/87/65/10/661876510.db2.gz XPZAOPWVIHCJRZ-ZMSDIMECSA-N 0 3 353.463 -0.074 20 0 FBADHN CN(CC(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC000960536712 661876430 /nfs/dbraw/zinc/87/64/30/661876430.db2.gz ZBXBSPGDHNCDIX-CWRNSKLLSA-N 0 3 351.447 -0.055 20 0 FBADHN CN(CC(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]21)C1CCC1 ZINC000960536716 661876411 /nfs/dbraw/zinc/87/64/11/661876411.db2.gz ZBXBSPGDHNCDIX-VNQPRFMTSA-N 0 3 351.447 -0.055 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]21)N(C)C ZINC000960568623 661877458 /nfs/dbraw/zinc/87/74/58/661877458.db2.gz IMIWTAHVTXOXAA-FRRDWIJNSA-N 0 3 352.435 -0.970 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3cnns3)C[C@@H]21)N(C)C ZINC000960569551 661877582 /nfs/dbraw/zinc/87/75/82/661877582.db2.gz CXOBJYUCKXPTHR-GRYCIOLGSA-N 0 3 353.448 -0.070 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3cnsn3)C[C@@H]21)N(C)C ZINC000960569554 661877478 /nfs/dbraw/zinc/87/74/78/661877478.db2.gz DBMVIEAENIQXPI-FRRDWIJNSA-N 0 3 353.448 -0.070 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@@H]21)N(C)C ZINC000960569696 661877412 /nfs/dbraw/zinc/87/74/12/661877412.db2.gz NQKZQHLECZIZKS-FRRDWIJNSA-N 0 3 353.398 -0.059 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]21)N(C)C ZINC000960569722 661877590 /nfs/dbraw/zinc/87/75/90/661877590.db2.gz OHWMWSGGUBOTRB-FRRDWIJNSA-N 0 3 354.451 -0.724 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]21)N(C)C ZINC000960569725 661877565 /nfs/dbraw/zinc/87/75/65/661877565.db2.gz OOCAWVZGTHZRSH-HZSPNIEDSA-N 0 3 350.423 -0.944 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]21)N(C)C ZINC000960570701 661877634 /nfs/dbraw/zinc/87/76/34/661877634.db2.gz HSVRWQXPQHKJMG-KWCYVHTRSA-N 0 3 350.423 -0.793 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21)N(C)C ZINC000960571469 661877918 /nfs/dbraw/zinc/87/79/18/661877918.db2.gz MFPULWRXLMNUBC-RFQIPJPRSA-N 0 3 352.435 -0.957 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]21)N(C)C ZINC000960571487 661877905 /nfs/dbraw/zinc/87/79/05/661877905.db2.gz MWWVAQKBOHNWGR-FRRDWIJNSA-N 0 3 350.423 -0.793 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]nc3C)C[C@@H]21)N(C)C ZINC000960571820 661877947 /nfs/dbraw/zinc/87/79/47/661877947.db2.gz HRSRNJPFXZLLMH-FRRDWIJNSA-N 0 3 350.423 -0.495 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]21)N(C)C ZINC000960571992 661877876 /nfs/dbraw/zinc/87/78/76/661877876.db2.gz NBALXNBLOBMNOX-HZSPNIEDSA-N 0 3 350.423 -0.793 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cnoc3)C[C@@H]21)N(C)C ZINC000960572488 661877795 /nfs/dbraw/zinc/87/77/95/661877795.db2.gz JVRWZJKPTSNNNQ-QLFBSQMISA-N 0 3 350.419 -0.005 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]21)N(C)C ZINC000960573395 661877849 /nfs/dbraw/zinc/87/78/49/661877849.db2.gz XGSWFVTXHUWJJA-HZSPNIEDSA-N 0 3 350.423 -0.793 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3csnn3)C[C@@H]21)N(C)C ZINC000960573562 661877746 /nfs/dbraw/zinc/87/77/46/661877746.db2.gz KGDVCIPZXOCRIN-FRRDWIJNSA-N 0 3 353.448 -0.070 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21)N(C)C ZINC000960573964 661877712 /nfs/dbraw/zinc/87/77/12/661877712.db2.gz MFPULWRXLMNUBC-YIYPIFLZSA-N 0 3 352.435 -0.957 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccon3)C[C@@H]21)N(C)C ZINC000960574856 661877827 /nfs/dbraw/zinc/87/78/27/661877827.db2.gz QPDWNZURLQXLGL-QLFBSQMISA-N 0 3 350.419 -0.005 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3nonc3C)C[C@@H]21)N(C)C ZINC000960575631 661877957 /nfs/dbraw/zinc/87/79/57/661877957.db2.gz TVCSLGNUMZVFFB-FRRDWIJNSA-N 0 3 351.407 -0.230 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]21)N(C)C ZINC000960576234 661877965 /nfs/dbraw/zinc/87/79/65/661877965.db2.gz XAPNLXMNNANOJE-HZSPNIEDSA-N 0 3 350.423 -0.944 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]21)N(C)C ZINC000960576382 661877842 /nfs/dbraw/zinc/87/78/42/661877842.db2.gz YUTYIZZBCSXQCW-HZSPNIEDSA-N 0 3 353.419 -0.347 20 0 FBADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@@H]21)N(C)C ZINC000960576581 661877810 /nfs/dbraw/zinc/87/78/10/661877810.db2.gz ZKPKXSPQJYDEGQ-TWHJKIGZSA-N 0 3 351.447 -0.343 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)c3nonc3C)[C@H]2C1)N(C)C ZINC000960579313 661878171 /nfs/dbraw/zinc/87/81/71/661878171.db2.gz VEGZXTKMZHMBRN-FRRDWIJNSA-N 0 3 351.407 -0.230 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)c3nonc3C)[C@H]2C1)N(C)C ZINC000960579319 661878178 /nfs/dbraw/zinc/87/81/78/661878178.db2.gz VEGZXTKMZHMBRN-RWMBFGLXSA-N 0 3 351.407 -0.230 20 0 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/nfs/dbraw/zinc/78/37/90/658783790.db2.gz AGLPPAVOIWVQAV-DERJNBNXSA-N 0 3 353.463 -0.051 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C)N(C)C ZINC000976737980 658784138 /nfs/dbraw/zinc/78/41/38/658784138.db2.gz AGLPPAVOIWVQAV-IJOLSIAMSA-N 0 3 353.463 -0.051 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000976741539 658785950 /nfs/dbraw/zinc/78/59/50/658785950.db2.gz VLFBSAFMDIGWSX-AHDPXTMNSA-N 0 3 351.447 -0.152 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C ZINC000976746969 658785818 /nfs/dbraw/zinc/78/58/18/658785818.db2.gz HQOUZZVBECLMCB-FBZYFPJBSA-N 0 3 351.447 -0.152 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C ZINC000976746973 658785928 /nfs/dbraw/zinc/78/59/28/658785928.db2.gz HQOUZZVBECLMCB-GTLGIVGDSA-N 0 3 351.447 -0.152 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000976748321 658785629 /nfs/dbraw/zinc/78/56/29/658785629.db2.gz NGOYPDSWBCBACK-CNUSHZMNSA-N 0 3 351.447 -0.152 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]21 ZINC000976749058 658786832 /nfs/dbraw/zinc/78/68/32/658786832.db2.gz PHQCEMHCZYSYIN-RFIROVKRSA-N 0 3 351.447 -0.297 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]21 ZINC000976749059 658786548 /nfs/dbraw/zinc/78/65/48/658786548.db2.gz PHQCEMHCZYSYIN-WWGIYVHQSA-N 0 3 351.447 -0.297 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC000976751337 658786976 /nfs/dbraw/zinc/78/69/76/658786976.db2.gz YNPSSNGUYJYFGV-FBZYFPJBSA-N 0 3 351.447 -0.295 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC000976751342 658786510 /nfs/dbraw/zinc/78/65/10/658786510.db2.gz YNPSSNGUYJYFGV-GTLGIVGDSA-N 0 3 351.447 -0.295 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)O1 ZINC000976756473 658787802 /nfs/dbraw/zinc/78/78/02/658787802.db2.gz NKVAQIBATCDVJU-GAGVYUBLSA-N 0 3 350.463 -0.626 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1)N(C)C ZINC000976756634 658787514 /nfs/dbraw/zinc/78/75/14/658787514.db2.gz QJPGTKPMNZQPCY-AQGHMYMLSA-N 0 3 352.479 -0.381 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1)N(C)C ZINC000976756636 658787889 /nfs/dbraw/zinc/78/78/89/658787889.db2.gz QJPGTKPMNZQPCY-XMEMRUQMSA-N 0 3 352.479 -0.381 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]32)O1 ZINC000976757856 658784842 /nfs/dbraw/zinc/78/48/42/658784842.db2.gz WKYGYTHBPJSGPP-AQGHMYMLSA-N 0 3 350.463 -0.627 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]32)O1 ZINC000976757858 658784579 /nfs/dbraw/zinc/78/45/79/658784579.db2.gz WKYGYTHBPJSGPP-XMEMRUQMSA-N 0 3 350.463 -0.627 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2nc[nH]n2)C1 ZINC000976772261 658787653 /nfs/dbraw/zinc/78/76/53/658787653.db2.gz IJWHGTNGZJFWAP-JHJVBQTASA-N 0 3 350.423 -0.317 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncn[nH]2)C1 ZINC000976772261 658787647 /nfs/dbraw/zinc/78/76/47/658787647.db2.gz IJWHGTNGZJFWAP-JHJVBQTASA-N 0 3 350.423 -0.317 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2nc[nH]n2)C1 ZINC000976772690 658787485 /nfs/dbraw/zinc/78/74/85/658787485.db2.gz IJWHGTNGZJFWAP-UPJWGTAASA-N 0 3 350.423 -0.317 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncn[nH]2)C1 ZINC000976772690 658787478 /nfs/dbraw/zinc/78/74/78/658787478.db2.gz IJWHGTNGZJFWAP-UPJWGTAASA-N 0 3 350.423 -0.317 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2nc[nH]n2)O1 ZINC000976889352 658790906 /nfs/dbraw/zinc/79/09/06/658790906.db2.gz ACHZAQQYTNRAEU-FDYHWXHSSA-N 0 3 350.423 -0.319 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncn[nH]2)O1 ZINC000976889352 658790902 /nfs/dbraw/zinc/79/09/02/658790902.db2.gz ACHZAQQYTNRAEU-FDYHWXHSSA-N 0 3 350.423 -0.319 20 0 FBADHN C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]21 ZINC000977195977 658797906 /nfs/dbraw/zinc/79/79/06/658797906.db2.gz KAMYGUNANPPOFC-FBZYFPJBSA-N 0 3 351.447 -0.152 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]21 ZINC000977195980 658797923 /nfs/dbraw/zinc/79/79/23/658797923.db2.gz KAMYGUNANPPOFC-GTLGIVGDSA-N 0 3 351.447 -0.152 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)N(C)C ZINC000977198455 658798356 /nfs/dbraw/zinc/79/83/56/658798356.db2.gz CQJXNOQBRWFLGW-ZLCQRPCESA-N 0 3 350.463 -0.376 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C ZINC000977201028 658799153 /nfs/dbraw/zinc/79/91/53/658799153.db2.gz JXBYZXLREGDTHZ-DXUDUQDWSA-N 0 3 350.463 -0.199 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C ZINC000977201030 658799228 /nfs/dbraw/zinc/79/92/28/658799228.db2.gz JXBYZXLREGDTHZ-QZOBBIQNSA-N 0 3 350.463 -0.199 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)N(C)C ZINC000977209660 658799115 /nfs/dbraw/zinc/79/91/15/658799115.db2.gz CQJXNOQBRWFLGW-XWSJDDSLSA-N 0 3 350.463 -0.376 20 0 FBADHN C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@H]32)C1 ZINC000977211534 658799914 /nfs/dbraw/zinc/79/99/14/658799914.db2.gz VNRVVSWRXAGJGV-FBZYFPJBSA-N 0 3 351.447 -0.295 20 0 FBADHN C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@H]32)C1 ZINC000977211538 658799840 /nfs/dbraw/zinc/79/98/40/658799840.db2.gz VNRVVSWRXAGJGV-GTLGIVGDSA-N 0 3 351.447 -0.295 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CN2CCCC2)O1 ZINC000977925087 658807352 /nfs/dbraw/zinc/80/73/52/658807352.db2.gz LDSYCWTWEFOPDU-BZUAXINKSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CN2CCCC2)O1 ZINC000977925088 658807032 /nfs/dbraw/zinc/80/70/32/658807032.db2.gz LDSYCWTWEFOPDU-OWCLPIDISA-N 0 3 352.479 -0.139 20 0 FBADHN Cc1nn[nH]c1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000977943696 658807828 /nfs/dbraw/zinc/80/78/28/658807828.db2.gz NEHYMMSSECUNFP-KGYLQXTDSA-N 0 3 350.423 -0.495 20 0 FBADHN Cc1nn[nH]c1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000977943699 658807936 /nfs/dbraw/zinc/80/79/36/658807936.db2.gz NEHYMMSSECUNFP-RAIGVLPGSA-N 0 3 350.423 -0.495 20 0 FBADHN Cc1nn[nH]c1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000978129550 658811131 /nfs/dbraw/zinc/81/11/31/658811131.db2.gz HNLYLZABTMHOJN-KGYLQXTDSA-N 0 3 350.423 -0.495 20 0 FBADHN Cc1nn[nH]c1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000978129552 658811775 /nfs/dbraw/zinc/81/17/75/658811775.db2.gz HNLYLZABTMHOJN-RAIGVLPGSA-N 0 3 350.423 -0.495 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3CN(CC(=O)N4CCC4)C[C@H]32)O1 ZINC000978350792 658812810 /nfs/dbraw/zinc/81/28/10/658812810.db2.gz HPXZJIKRRVNYGD-DGXTUMSLSA-N 0 3 350.463 -0.768 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NC4CC4)C[C@H]32)O1 ZINC000978356838 658813310 /nfs/dbraw/zinc/81/33/10/658813310.db2.gz PJNYQIPVLDJSTB-CSOUEMRRSA-N 0 3 350.463 -0.722 20 0 FBADHN CC1CCN(CC(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000978404573 658814564 /nfs/dbraw/zinc/81/45/64/658814564.db2.gz AHJGUBBGGJTUQQ-KFWWJZLASA-N 0 3 350.463 -0.101 20 0 FBADHN CC1CCN(CC(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000978404577 658814418 /nfs/dbraw/zinc/81/44/18/658814418.db2.gz AHJGUBBGGJTUQQ-ZNMIVQPWSA-N 0 3 350.463 -0.101 20 0 FBADHN CN(C[C@H]1CCN1C(=O)CN1CCC(C)(C)C1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC000978414555 658815400 /nfs/dbraw/zinc/81/54/00/658815400.db2.gz CVEIHZDGVJKSAI-MCIONIFRSA-N 0 3 350.463 -0.101 20 0 FBADHN CN(C[C@@H]1CCN1C(=O)CN1CCC(C)(C)C1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC000978414562 658815578 /nfs/dbraw/zinc/81/55/78/658815578.db2.gz CVEIHZDGVJKSAI-MJBXVCDLSA-N 0 3 350.463 -0.101 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCN3C)C2)O1 ZINC000978665839 658817205 /nfs/dbraw/zinc/81/72/05/658817205.db2.gz CZRMAAMLKRTSNV-IBEHDNSVSA-N 0 3 352.479 -0.189 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCN3C)C2)O1 ZINC000978665841 658817817 /nfs/dbraw/zinc/81/78/17/658817817.db2.gz CZRMAAMLKRTSNV-RBGFHDKUSA-N 0 3 352.479 -0.189 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC000978731892 658819658 /nfs/dbraw/zinc/81/96/58/658819658.db2.gz DCOPYLPDJJWYRW-XGFWRYKXSA-N 0 3 350.419 -0.600 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC000978734593 658819472 /nfs/dbraw/zinc/81/94/72/658819472.db2.gz SOGFFUPEQDSVQA-ITGHMWBKSA-N 0 3 364.471 -0.366 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21 ZINC000978745925 658819811 /nfs/dbraw/zinc/81/98/11/658819811.db2.gz NJGYTABCCMVFBW-NTASLKFISA-N 0 3 350.419 -0.743 20 0 FBADHN 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CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001022723962 657526853 /nfs/dbraw/zinc/52/68/53/657526853.db2.gz NETZRMNSQWUMSA-XWCIJXRUSA-N 0 3 354.426 -0.257 20 0 FBADHN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001022738849 657530457 /nfs/dbraw/zinc/53/04/57/657530457.db2.gz FPGSPPDHBSWKDR-APIJFGDWSA-N 0 3 350.463 -0.136 20 0 FBADHN O=C(Cc1c[nH]cn1)N1CC[C@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@H]21 ZINC001022843447 657553593 /nfs/dbraw/zinc/55/35/93/657553593.db2.gz LBDNKALSFJOOPE-IACUBPJLSA-N 0 3 366.443 -0.411 20 0 FBADHN O=C(Cc1c[nH]cn1)N1CC[C@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@H]21 ZINC001022843448 657553458 /nfs/dbraw/zinc/55/34/58/657553458.db2.gz LBDNKALSFJOOPE-YUTCNCBUSA-N 0 3 366.443 -0.411 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1)S(C)(=O)=O ZINC001022846041 657553523 /nfs/dbraw/zinc/55/35/23/657553523.db2.gz NOMRWJXXWDKVMJ-GMXVVIOVSA-N 0 3 354.432 -0.555 20 0 FBADHN C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1)S(C)(=O)=O ZINC001022846042 657553799 /nfs/dbraw/zinc/55/37/99/657553799.db2.gz NOMRWJXXWDKVMJ-NTZNESFSSA-N 0 3 354.432 -0.555 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001022887325 657566409 /nfs/dbraw/zinc/56/64/09/657566409.db2.gz LMMJQLGSOUEPMK-BZUAXINKSA-N 0 3 353.463 -0.026 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001022887326 657566270 /nfs/dbraw/zinc/56/62/70/657566270.db2.gz LMMJQLGSOUEPMK-OWCLPIDISA-N 0 3 353.463 -0.026 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001022894532 657570588 /nfs/dbraw/zinc/57/05/88/657570588.db2.gz PARCOZXEBNUKKU-BZUAXINKSA-N 0 3 353.463 -0.025 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001022894533 657570737 /nfs/dbraw/zinc/57/07/37/657570737.db2.gz PARCOZXEBNUKKU-OWCLPIDISA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1)N1CCCC1 ZINC001022894538 657570610 /nfs/dbraw/zinc/57/06/10/657570610.db2.gz PCBOUCVDASDBOO-HUUCEWRRSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)(F)C(=O)N[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1O ZINC001022896365 657571410 /nfs/dbraw/zinc/57/14/10/657571410.db2.gz YILVHUJDCXAYNX-AYPDTPKMSA-N 0 3 355.410 -0.714 20 0 FBADHN CC(C)(F)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1O ZINC001022896366 657571525 /nfs/dbraw/zinc/57/15/25/657571525.db2.gz YILVHUJDCXAYNX-OTMHRBMSSA-N 0 3 355.410 -0.714 20 0 FBADHN CC(F)(F)C(=O)N[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1O ZINC001022898484 657572697 /nfs/dbraw/zinc/57/26/97/657572697.db2.gz BLHJDOADOLOFHY-GPAJDLMQSA-N 0 3 359.373 -0.807 20 0 FBADHN CC(F)(F)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1O ZINC001022898485 657572553 /nfs/dbraw/zinc/57/25/53/657572553.db2.gz BLHJDOADOLOFHY-ZTTGAQHXSA-N 0 3 359.373 -0.807 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001022977686 657602703 /nfs/dbraw/zinc/60/27/03/657602703.db2.gz VHELDUNJWRSOAD-HZSPNIEDSA-N 0 3 353.419 -0.563 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001022977687 657602925 /nfs/dbraw/zinc/60/29/25/657602925.db2.gz VHELDUNJWRSOAD-MGPQQGTHSA-N 0 3 353.419 -0.563 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001022978550 657603764 /nfs/dbraw/zinc/60/37/64/657603764.db2.gz KCNVWYAJQPCLEO-HZSPNIEDSA-N 0 3 353.419 -0.565 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001022978551 657603924 /nfs/dbraw/zinc/60/39/24/657603924.db2.gz KCNVWYAJQPCLEO-MGPQQGTHSA-N 0 3 353.419 -0.565 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1)N1CCCC1 ZINC001022979605 657605538 /nfs/dbraw/zinc/60/55/38/657605538.db2.gz KQGYBCNUZOEJFT-CHWSQXEVSA-N 0 3 353.419 -0.563 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1)N(C)C ZINC001022982099 657606657 /nfs/dbraw/zinc/60/66/57/657606657.db2.gz SALBAFLKSWFTJP-KFWWJZLASA-N 0 3 350.419 -0.792 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1)N(C)C ZINC001022982100 657606679 /nfs/dbraw/zinc/60/66/79/657606679.db2.gz SALBAFLKSWFTJP-RBSFLKMASA-N 0 3 350.419 -0.792 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1)N(C)C ZINC001022983301 657607683 /nfs/dbraw/zinc/60/76/83/657607683.db2.gz XCXMXJNGKIJVLO-BZPMIXESSA-N 0 3 351.407 -0.930 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1)N(C)C ZINC001022983302 657607784 /nfs/dbraw/zinc/60/77/84/657607784.db2.gz XCXMXJNGKIJVLO-YRGRVCCFSA-N 0 3 351.407 -0.930 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001023026965 657628436 /nfs/dbraw/zinc/62/84/36/657628436.db2.gz MCALIPCYMICOKN-IJLUTSLNSA-N 0 3 355.464 -0.266 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC001023026966 657628490 /nfs/dbraw/zinc/62/84/90/657628490.db2.gz MCALIPCYMICOKN-UTUOFQBUSA-N 0 3 355.464 -0.266 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001023029209 657631902 /nfs/dbraw/zinc/63/19/02/657631902.db2.gz DIZIPBCNKLLOAR-MVWJERBFSA-N 0 3 353.448 -0.510 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001023029210 657631931 /nfs/dbraw/zinc/63/19/31/657631931.db2.gz DIZIPBCNKLLOAR-YUSALJHKSA-N 0 3 353.448 -0.510 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001023029262 657631651 /nfs/dbraw/zinc/63/16/51/657631651.db2.gz GQHBGYCBHXVMMY-GHMZBOCLSA-N 0 3 353.448 -0.368 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001023029479 657632671 /nfs/dbraw/zinc/63/26/71/657632671.db2.gz MVTYIYLBRFWYSV-MVWJERBFSA-N 0 3 353.448 -0.368 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001023029480 657632530 /nfs/dbraw/zinc/63/25/30/657632530.db2.gz MVTYIYLBRFWYSV-YUSALJHKSA-N 0 3 353.448 -0.368 20 0 FBADHN Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001023029579 657632784 /nfs/dbraw/zinc/63/27/84/657632784.db2.gz PQOIRLHQQGGATH-LERXQTSPSA-N 0 3 350.419 -0.065 20 0 FBADHN Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001023029580 657632412 /nfs/dbraw/zinc/63/24/12/657632412.db2.gz PQOIRLHQQGGATH-ZLKJLUDKSA-N 0 3 350.419 -0.065 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1O ZINC001023029680 657632694 /nfs/dbraw/zinc/63/26/94/657632694.db2.gz RGHRMBZWNNXJJP-IJLUTSLNSA-N 0 3 353.448 -0.512 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1O ZINC001023029682 657632861 /nfs/dbraw/zinc/63/28/61/657632861.db2.gz RGHRMBZWNNXJJP-UTUOFQBUSA-N 0 3 353.448 -0.512 20 0 FBADHN Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1O ZINC001023029834 657633910 /nfs/dbraw/zinc/63/39/10/657633910.db2.gz TUXBUSQEXRXHTA-NFAWXSAZSA-N 0 3 350.419 -0.067 20 0 FBADHN Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1O ZINC001023029837 657633767 /nfs/dbraw/zinc/63/37/67/657633767.db2.gz TUXBUSQEXRXHTA-UMVBOHGHSA-N 0 3 350.419 -0.067 20 0 FBADHN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001023030556 657633703 /nfs/dbraw/zinc/63/37/03/657633703.db2.gz AAKYCCQNWHBDLD-VXGBXAGGSA-N 0 3 353.448 -0.368 20 0 FBADHN Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2O)cnn1C ZINC001023070477 657647813 /nfs/dbraw/zinc/64/78/13/657647813.db2.gz HYJXOUSKYQTERL-KFWWJZLASA-N 0 3 351.451 -0.384 20 0 FBADHN Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2O)cnn1C ZINC001023070478 657648253 /nfs/dbraw/zinc/64/82/53/657648253.db2.gz HYJXOUSKYQTERL-RBSFLKMASA-N 0 3 351.451 -0.384 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2O)[nH]n1 ZINC001023095318 657654939 /nfs/dbraw/zinc/65/49/39/657654939.db2.gz NTPXRDQPPNTJNI-KFWWJZLASA-N 0 3 351.451 -0.140 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2O)[nH]n1 ZINC001023095319 657655165 /nfs/dbraw/zinc/65/51/65/657655165.db2.gz NTPXRDQPPNTJNI-RBSFLKMASA-N 0 3 351.451 -0.140 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001023126792 657675445 /nfs/dbraw/zinc/67/54/45/657675445.db2.gz MFEIWGDNZBWVJT-FRRDWIJNSA-N 0 3 353.448 -0.286 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001023126793 657675304 /nfs/dbraw/zinc/67/53/04/657675304.db2.gz MFEIWGDNZBWVJT-JHJVBQTASA-N 0 3 353.448 -0.286 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1)N1CCCC1 ZINC001023126896 657676322 /nfs/dbraw/zinc/67/63/22/657676322.db2.gz QUWWLRDOCXFVTP-VXGBXAGGSA-N 0 3 353.448 -0.286 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001023129670 657683915 /nfs/dbraw/zinc/68/39/15/657683915.db2.gz UOSRZUDRWDQAEU-FRRDWIJNSA-N 0 3 353.448 -0.288 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001023129671 657684131 /nfs/dbraw/zinc/68/41/31/657684131.db2.gz UOSRZUDRWDQAEU-JHJVBQTASA-N 0 3 353.448 -0.288 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 ZINC001023131353 657688102 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ZINC001023270840 657755783 /nfs/dbraw/zinc/75/57/83/657755783.db2.gz VDIPCCDFQUFDTP-RBSFLKMASA-N 0 3 350.394 -0.138 20 0 FBADHN Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)o1 ZINC001023286264 657765529 /nfs/dbraw/zinc/76/55/29/657765529.db2.gz JLFAGHSWRKFYHW-MCIONIFRSA-N 0 3 350.419 -0.067 20 0 FBADHN Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2O)o1 ZINC001023286265 657765693 /nfs/dbraw/zinc/76/56/93/657765693.db2.gz JLFAGHSWRKFYHW-MGPQQGTHSA-N 0 3 350.419 -0.067 20 0 FBADHN Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2O)o1 ZINC001023286424 657765452 /nfs/dbraw/zinc/76/54/52/657765452.db2.gz LXEIBAQJJZCZAR-LERXQTSPSA-N 0 3 350.419 -0.065 20 0 FBADHN Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2O)o1 ZINC001023286425 657765546 /nfs/dbraw/zinc/76/55/46/657765546.db2.gz LXEIBAQJJZCZAR-ZLKJLUDKSA-N 0 3 350.419 -0.065 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)[nH]2)C1)N(C)C ZINC001023297161 657767384 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ARFJJDXRIQFOJJ-NILFDRSVSA-N 0 3 350.394 -0.136 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1)N(C)C ZINC001023376697 657785548 /nfs/dbraw/zinc/78/55/48/657785548.db2.gz SGNRUQKSGOHLOZ-NFAWXSAZSA-N 0 3 350.419 -0.325 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1)N(C)C ZINC001023376698 657785246 /nfs/dbraw/zinc/78/52/46/657785246.db2.gz SGNRUQKSGOHLOZ-UMVBOHGHSA-N 0 3 350.419 -0.325 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1)C1CC1 ZINC001023378471 657786619 /nfs/dbraw/zinc/78/66/19/657786619.db2.gz MZOCAUCARCXZNC-KFWWJZLASA-N 0 3 350.394 -0.138 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1)C1CC1 ZINC001023378472 657786474 /nfs/dbraw/zinc/78/64/74/657786474.db2.gz MZOCAUCARCXZNC-RBSFLKMASA-N 0 3 350.394 -0.138 20 0 FBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001023379906 657787380 /nfs/dbraw/zinc/78/73/80/657787380.db2.gz NXMFPASMJKZJHC-HZSPNIEDSA-N 0 3 350.467 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ZINC001023426220 657807071 /nfs/dbraw/zinc/80/70/71/657807071.db2.gz QCJQFDJESHMYRE-ZNMIVQPWSA-N 0 3 354.451 -0.356 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCN(CC(=O)NC3CC3)C2)O1 ZINC001023449843 657809159 /nfs/dbraw/zinc/80/91/59/657809159.db2.gz AEXCOXGAUIGVLR-IIAWOOMASA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCN(CC(=O)NC3CC3)C2)O1 ZINC001023449844 657809020 /nfs/dbraw/zinc/80/90/20/657809020.db2.gz AEXCOXGAUIGVLR-IJEWVQPXSA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCN(CC(=O)N3CCC3)C2)O1 ZINC001023451303 657810346 /nfs/dbraw/zinc/81/03/46/657810346.db2.gz NMPHUAZNRNHOOW-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCN(CC(=O)N3CCC3)C2)O1 ZINC001023451304 657810394 /nfs/dbraw/zinc/81/03/94/657810394.db2.gz NMPHUAZNRNHOOW-OWCLPIDISA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O)n1cncn1 ZINC001023458179 657816925 /nfs/dbraw/zinc/81/69/25/657816925.db2.gz 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COc1cc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2O)on1 ZINC001023472643 657825722 /nfs/dbraw/zinc/82/57/22/657825722.db2.gz CUWUACUMNRYEMM-QJPTWQEYSA-N 0 3 352.391 -0.674 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2O)on1 ZINC001023472993 657826607 /nfs/dbraw/zinc/82/66/07/657826607.db2.gz MKNRACNNCUDECM-GHMZBOCLSA-N 0 3 352.391 -0.531 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2O)on1 ZINC001023473199 657826853 /nfs/dbraw/zinc/82/68/53/657826853.db2.gz SIUZFNOBYFSYCD-IJLUTSLNSA-N 0 3 352.391 -0.531 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2O)on1 ZINC001023473200 657826682 /nfs/dbraw/zinc/82/66/82/657826682.db2.gz SIUZFNOBYFSYCD-QJPTWQEYSA-N 0 3 352.391 -0.531 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2O)on1 ZINC001023473512 657829828 /nfs/dbraw/zinc/82/98/28/657829828.db2.gz WQDFUUPAJILZSX-GYSYKLTISA-N 0 3 354.407 -0.429 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2O)on1 ZINC001023473514 657829531 /nfs/dbraw/zinc/82/95/31/657829531.db2.gz WQDFUUPAJILZSX-JTNHKYCSSA-N 0 3 354.407 -0.429 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)on1 ZINC001023473599 657829630 /nfs/dbraw/zinc/82/96/30/657829630.db2.gz YCISMGUARXUSHR-GYSYKLTISA-N 0 3 352.391 -0.675 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2O)on1 ZINC001023473600 657829713 /nfs/dbraw/zinc/82/97/13/657829713.db2.gz YCISMGUARXUSHR-JTNHKYCSSA-N 0 3 352.391 -0.675 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cn3)C2)C1 ZINC001023475779 657828934 /nfs/dbraw/zinc/82/89/34/657828934.db2.gz LABABGHDPACCOM-KCPJHIHWSA-N 0 3 350.394 -0.136 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cn3)C2)C1 ZINC001023475782 657828741 /nfs/dbraw/zinc/82/87/41/657828741.db2.gz LABABGHDPACCOM-NILFDRSVSA-N 0 3 350.394 -0.136 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1)C1CC1 ZINC001023476390 657829852 /nfs/dbraw/zinc/82/98/52/657829852.db2.gz 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CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001023491979 657834517 /nfs/dbraw/zinc/83/45/17/657834517.db2.gz CZHROYQRKPPFGV-BZUAXINKSA-N 0 3 351.447 -0.106 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001023491981 657835769 /nfs/dbraw/zinc/83/57/69/657835769.db2.gz CZHROYQRKPPFGV-OWCLPIDISA-N 0 3 351.447 -0.106 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001023494943 657835936 /nfs/dbraw/zinc/83/59/36/657835936.db2.gz FJGJDCSJAQRXKS-BZUAXINKSA-N 0 3 351.447 -0.105 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001023494944 657836005 /nfs/dbraw/zinc/83/60/05/657836005.db2.gz FJGJDCSJAQRXKS-OWCLPIDISA-N 0 3 351.447 -0.105 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1)N1CCCC1 ZINC001023495363 657836888 /nfs/dbraw/zinc/83/68/88/657836888.db2.gz NVZFCLIUZZKDJU-HUUCEWRRSA-N 0 3 351.447 -0.105 20 0 FBADHN CCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001023503360 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LQLRVDPKJYNDDY-FMKPAKJESA-N 0 3 351.451 -0.534 20 0 FBADHN Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001023736845 657934892 /nfs/dbraw/zinc/93/48/92/657934892.db2.gz LQLRVDPKJYNDDY-IIAWOOMASA-N 0 3 351.451 -0.534 20 0 FBADHN CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2O)cn1 ZINC001023739332 657935783 /nfs/dbraw/zinc/93/57/83/657935783.db2.gz MKBLGKRIUQTYTC-QLFBSQMISA-N 0 3 351.451 -0.065 20 0 FBADHN CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2O)cn1 ZINC001023739333 657935681 /nfs/dbraw/zinc/93/56/81/657935681.db2.gz MKBLGKRIUQTYTC-RBSFLKMASA-N 0 3 351.451 -0.065 20 0 FBADHN CCc1oncc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001023746950 657937206 /nfs/dbraw/zinc/93/72/06/657937206.db2.gz QWUPSPNIKMHWRN-IACUBPJLSA-N 0 3 350.419 -0.120 20 0 FBADHN CCc1oncc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001023746951 657937406 /nfs/dbraw/zinc/93/74/06/657937406.db2.gz QWUPSPNIKMHWRN-MRVWCRGKSA-N 0 3 350.419 -0.120 20 0 FBADHN CCc1oncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1O ZINC001023747443 657938297 /nfs/dbraw/zinc/93/82/97/657938297.db2.gz YMKXSHUIOOHJNR-NFAWXSAZSA-N 0 3 350.419 -0.121 20 0 FBADHN CCc1oncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1O ZINC001023747444 657938236 /nfs/dbraw/zinc/93/82/36/657938236.db2.gz YMKXSHUIOOHJNR-UMVBOHGHSA-N 0 3 350.419 -0.121 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1)N(C)C ZINC001023749345 657938112 /nfs/dbraw/zinc/93/81/12/657938112.db2.gz CVQPKGNCAVWXKX-NFAWXSAZSA-N 0 3 354.476 -0.040 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1)N(C)C ZINC001023749346 657938199 /nfs/dbraw/zinc/93/81/99/657938199.db2.gz CVQPKGNCAVWXKX-UMVBOHGHSA-N 0 3 354.476 -0.040 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)C1 ZINC001023751537 657941468 /nfs/dbraw/zinc/94/14/68/657941468.db2.gz BERWTTKNAIEGQT-IACUBPJLSA-N 0 3 352.460 -0.285 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)C1 ZINC001023751538 657941350 /nfs/dbraw/zinc/94/13/50/657941350.db2.gz BERWTTKNAIEGQT-MRVWCRGKSA-N 0 3 352.460 -0.285 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1)C1CC1 ZINC001023751578 657941497 /nfs/dbraw/zinc/94/14/97/657941497.db2.gz CJLLUJXUUGZDDA-NFAWXSAZSA-N 0 3 352.460 -0.286 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1)C1CC1 ZINC001023751581 657941416 /nfs/dbraw/zinc/94/14/16/657941416.db2.gz CJLLUJXUUGZDDA-UMVBOHGHSA-N 0 3 352.460 -0.286 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1)C1CCC1 ZINC001023751965 657942274 /nfs/dbraw/zinc/94/22/74/657942274.db2.gz INJBXTPKKCCZGZ-ZIAGYGMSSA-N 0 3 352.460 -0.142 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001023752200 657941981 /nfs/dbraw/zinc/94/19/81/657941981.db2.gz LKRFZXIKRUQAFH-IACUBPJLSA-N 0 3 352.460 -0.142 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001023752203 657942183 /nfs/dbraw/zinc/94/21/83/657942183.db2.gz LKRFZXIKRUQAFH-MRVWCRGKSA-N 0 3 352.460 -0.142 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)CCC1 ZINC001023752736 657943074 /nfs/dbraw/zinc/94/30/74/657943074.db2.gz WULHWZQLKQRTKD-CHWSQXEVSA-N 0 3 352.460 -0.142 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(COC)on2)C1)N(C)C ZINC001023758746 657944717 /nfs/dbraw/zinc/94/47/17/657944717.db2.gz NYJVNNIBCIGREW-HZSPNIEDSA-N 0 3 354.407 -0.537 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(COC)on2)C1)N(C)C ZINC001023758747 657944589 /nfs/dbraw/zinc/94/45/89/657944589.db2.gz NYJVNNIBCIGREW-MGPQQGTHSA-N 0 3 354.407 -0.537 20 0 FBADHN CC1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)CC1 ZINC001023793337 657955453 /nfs/dbraw/zinc/95/54/53/657955453.db2.gz DVFNPBYAXRQZGI-HZPDHXFCSA-N 0 3 352.479 -0.498 20 0 FBADHN CCN1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001023795503 657956782 /nfs/dbraw/zinc/95/67/82/657956782.db2.gz JITMTNFIUYJCNC-BZUAXINKSA-N 0 3 352.479 -0.356 20 0 FBADHN CCN1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001023795505 657956484 /nfs/dbraw/zinc/95/64/84/657956484.db2.gz JITMTNFIUYJCNC-OWCLPIDISA-N 0 3 352.479 -0.356 20 0 FBADHN CC1(C)CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)C1 ZINC001023797191 657957574 /nfs/dbraw/zinc/95/75/74/657957574.db2.gz WPWSOJPJJKENPE-HUUCEWRRSA-N 0 3 352.479 -0.498 20 0 FBADHN Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC001023801390 657958610 /nfs/dbraw/zinc/95/86/10/657958610.db2.gz SPPNETKEDSFNKR-FMKPAKJESA-N 0 3 351.451 -0.534 20 0 FBADHN Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001023801391 657958309 /nfs/dbraw/zinc/95/83/09/657958309.db2.gz SPPNETKEDSFNKR-IIAWOOMASA-N 0 3 351.451 -0.534 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCOC3)C2)CCC1 ZINC001023822674 657961030 /nfs/dbraw/zinc/96/10/30/657961030.db2.gz GITLWLIYCGIVME-RBSFLKMASA-N 0 3 353.463 -0.025 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCOC3)C2)CCC1 ZINC001023822675 657960839 /nfs/dbraw/zinc/96/08/39/657960839.db2.gz GITLWLIYCGIVME-RRFJBIMHSA-N 0 3 353.463 -0.025 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCOC2)C1)C1CCC1 ZINC001023823425 657960972 /nfs/dbraw/zinc/96/09/72/657960972.db2.gz SPYINSNAHUBAHX-FVQBIDKESA-N 0 3 353.463 -0.025 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCOC2)C1)C1CCC1 ZINC001023823426 657961044 /nfs/dbraw/zinc/96/10/44/657961044.db2.gz SPYINSNAHUBAHX-NUEKZKHPSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O)N1CCCCC1 ZINC001023843246 657969198 /nfs/dbraw/zinc/96/91/98/657969198.db2.gz HXARDDDSYDOJQL-CHWSQXEVSA-N 0 3 350.423 -0.629 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)N1CCCCC1 ZINC001023847989 657968376 /nfs/dbraw/zinc/96/83/76/657968376.db2.gz VEIKSNKWQZBDQA-VXGBXAGGSA-N 0 3 350.423 -0.629 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1)N(C)C ZINC001023857222 657969773 /nfs/dbraw/zinc/96/97/73/657969773.db2.gz AHKROTPOXKWAJH-JHJVBQTASA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1)N(C)C ZINC001023857223 657970623 /nfs/dbraw/zinc/97/06/23/657970623.db2.gz AHKROTPOXKWAJH-UPJWGTAASA-N 0 3 371.869 -0.039 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1)N(C)C ZINC001023857928 657973819 /nfs/dbraw/zinc/97/38/19/657973819.db2.gz QWJOEHOWXTVESA-GRYCIOLGSA-N 0 3 357.842 -0.285 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1)N(C)C ZINC001023857929 657973632 /nfs/dbraw/zinc/97/36/32/657973632.db2.gz QWJOEHOWXTVESA-IJLUTSLNSA-N 0 3 357.842 -0.285 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001023858628 657974528 /nfs/dbraw/zinc/97/45/28/657974528.db2.gz GWKQYKVXHOXJQA-CYZMBNFOSA-N 0 3 369.853 -0.141 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001023858630 657974372 /nfs/dbraw/zinc/97/43/72/657974372.db2.gz GWKQYKVXHOXJQA-RAIGVLPGSA-N 0 3 369.853 -0.141 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1)N(C)C ZINC001023858836 657975482 /nfs/dbraw/zinc/97/54/82/657975482.db2.gz KFHWTFBSGCKPAR-FRRDWIJNSA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1)N(C)C ZINC001023858838 657975380 /nfs/dbraw/zinc/97/53/80/657975380.db2.gz KFHWTFBSGCKPAR-JHJVBQTASA-N 0 3 351.407 -0.873 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1)C1CCC1 ZINC001023858978 657975360 /nfs/dbraw/zinc/97/53/60/657975360.db2.gz NDITZKCQUFAGQG-CHWSQXEVSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(Cl)cnn3C)C2)CCC1 ZINC001023859076 657975305 /nfs/dbraw/zinc/97/53/05/657975305.db2.gz OLMCOYZSYRMQAF-VXGBXAGGSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1)C1CC1 ZINC001023859166 657975257 /nfs/dbraw/zinc/97/52/57/657975257.db2.gz QEHJMSBKRCEMFV-JHJVBQTASA-N 0 3 369.853 -0.285 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1)C1CC1 ZINC001023859169 657975462 /nfs/dbraw/zinc/97/54/62/657975462.db2.gz QEHJMSBKRCEMFV-UPJWGTAASA-N 0 3 369.853 -0.285 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(Cl)cnn3C)C2)C1 ZINC001023859410 657976314 /nfs/dbraw/zinc/97/63/14/657976314.db2.gz UMYZBUYLGODQFE-CYZMBNFOSA-N 0 3 369.853 -0.283 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(Cl)cnn3C)C2)C1 ZINC001023859411 657976136 /nfs/dbraw/zinc/97/61/36/657976136.db2.gz UMYZBUYLGODQFE-RAIGVLPGSA-N 0 3 369.853 -0.283 20 0 FBADHN CC(C)(C)C(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CCC2CC3)C1 ZINC001023860616 657976031 /nfs/dbraw/zinc/97/60/31/657976031.db2.gz IEOYOMPUAZMDEN-BFHYXJOUSA-N 0 3 351.447 -0.369 20 0 FBADHN CC(C)(C)C(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CCC2CC3)C1 ZINC001023860617 657976260 /nfs/dbraw/zinc/97/62/60/657976260.db2.gz IEOYOMPUAZMDEN-MGPQQGTHSA-N 0 3 351.447 -0.369 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nn(C)cc3Cl)C2)CCC1 ZINC001023873688 657979338 /nfs/dbraw/zinc/97/93/38/657979338.db2.gz LYRANAYFVYMJCZ-VXGBXAGGSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1)C1CC1 ZINC001023874148 657979376 /nfs/dbraw/zinc/97/93/76/657979376.db2.gz XKXWKGICVSKIDF-BZPMIXESSA-N 0 3 369.853 -0.285 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1)C1CC1 ZINC001023874149 657979465 /nfs/dbraw/zinc/97/94/65/657979465.db2.gz XKXWKGICVSKIDF-YRGRVCCFSA-N 0 3 369.853 -0.285 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001023874358 657980055 /nfs/dbraw/zinc/98/00/55/657980055.db2.gz ZTQUFZHHWUBQKA-CYZMBNFOSA-N 0 3 369.853 -0.141 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001023874359 657980239 /nfs/dbraw/zinc/98/02/39/657980239.db2.gz ZTQUFZHHWUBQKA-RAIGVLPGSA-N 0 3 369.853 -0.141 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nn(C)cc3Cl)C2)C1 ZINC001023876051 657982384 /nfs/dbraw/zinc/98/23/84/657982384.db2.gz JLRXPJHDTMMDHR-CYZMBNFOSA-N 0 3 369.853 -0.283 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nn(C)cc3Cl)C2)C1 ZINC001023876052 657982496 /nfs/dbraw/zinc/98/24/96/657982496.db2.gz JLRXPJHDTMMDHR-RAIGVLPGSA-N 0 3 369.853 -0.283 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1)C1CCC1 ZINC001023876111 657982545 /nfs/dbraw/zinc/98/25/45/657982545.db2.gz LUIPYTPMUJZLNE-CHWSQXEVSA-N 0 3 369.853 -0.141 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1)N(C)C ZINC001023876284 657982289 /nfs/dbraw/zinc/98/22/89/657982289.db2.gz QEXUHAQTTPKILT-GRYCIOLGSA-N 0 3 357.842 -0.285 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1)N(C)C ZINC001023876285 657982535 /nfs/dbraw/zinc/98/25/35/657982535.db2.gz QEXUHAQTTPKILT-IJLUTSLNSA-N 0 3 357.842 -0.285 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1)N(C)C ZINC001023876388 657983090 /nfs/dbraw/zinc/98/30/90/657983090.db2.gz STUGQYXNIQQETP-BZPMIXESSA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2Cl)C1)N(C)C ZINC001023876389 657983328 /nfs/dbraw/zinc/98/33/28/657983328.db2.gz STUGQYXNIQQETP-YRGRVCCFSA-N 0 3 371.869 -0.039 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C(F)F)n2)C1)N(C)C ZINC001023884724 657988350 /nfs/dbraw/zinc/98/83/50/657988350.db2.gz GBMPXPRHCMDJOU-GRYCIOLGSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C(F)F)n2)C1)N(C)C ZINC001023884725 657988431 /nfs/dbraw/zinc/98/84/31/657988431.db2.gz GBMPXPRHCMDJOU-IJLUTSLNSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnn2C(F)F)C1)N(C)C ZINC001023886782 657988339 /nfs/dbraw/zinc/98/83/39/657988339.db2.gz HOBAZZKCWHSMEL-CKYFFXLPSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnn2C(F)F)C1)N(C)C ZINC001023886784 657988469 /nfs/dbraw/zinc/98/84/69/657988469.db2.gz HOBAZZKCWHSMEL-JFGNBEQYSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2scnc2COC)C1)N(C)C ZINC001023901928 657995095 /nfs/dbraw/zinc/99/50/95/657995095.db2.gz KCCHBICTSVIFJH-KGYLQXTDSA-N 0 3 370.475 -0.069 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2scnc2COC)C1)N(C)C ZINC001023901931 657995071 /nfs/dbraw/zinc/99/50/71/657995071.db2.gz KCCHBICTSVIFJH-RAIGVLPGSA-N 0 3 370.475 -0.069 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ns2)C1)N(C)C ZINC001023958778 658003058 /nfs/dbraw/zinc/00/30/58/658003058.db2.gz UMSZEIPSCNDAOB-GMTAPVOTSA-N 0 3 356.448 -0.207 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ns2)C1)N(C)C ZINC001023958780 658003157 /nfs/dbraw/zinc/00/31/57/658003157.db2.gz UMSZEIPSCNDAOB-OUAUKWLOSA-N 0 3 356.448 -0.207 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2O)sn1 ZINC001023961429 658003720 /nfs/dbraw/zinc/00/37/20/658003720.db2.gz AUZOPNKIBNKRJL-GHMZBOCLSA-N 0 3 368.459 -0.063 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2O)sn1 ZINC001023961539 658003579 /nfs/dbraw/zinc/00/35/79/658003579.db2.gz FGPISQLFYLKRCR-IJLUTSLNSA-N 0 3 368.459 -0.205 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2O)sn1 ZINC001023961541 658004088 /nfs/dbraw/zinc/00/40/88/658004088.db2.gz FGPISQLFYLKRCR-QJPTWQEYSA-N 0 3 368.459 -0.205 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2O)sn1 ZINC001023962134 658004020 /nfs/dbraw/zinc/00/40/20/658004020.db2.gz PFVZXYNWMTXTEI-VXGBXAGGSA-N 0 3 368.459 -0.063 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)sn1 ZINC001023962148 658003794 /nfs/dbraw/zinc/00/37/94/658003794.db2.gz PVGDGHFKMOEBID-GYSYKLTISA-N 0 3 368.459 -0.207 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2O)sn1 ZINC001023962149 658004929 /nfs/dbraw/zinc/00/49/29/658004929.db2.gz PVGDGHFKMOEBID-JTNHKYCSSA-N 0 3 368.459 -0.207 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2O)sn1 ZINC001023962657 658004584 /nfs/dbraw/zinc/00/45/84/658004584.db2.gz YWRIKGITHWXRGS-IJLUTSLNSA-N 0 3 368.459 -0.063 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2O)sn1 ZINC001023962658 658004788 /nfs/dbraw/zinc/00/47/88/658004788.db2.gz YWRIKGITHWXRGS-QJPTWQEYSA-N 0 3 368.459 -0.063 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccn(CC)n2)C1)N(C)C ZINC001023984218 658009917 /nfs/dbraw/zinc/00/99/17/658009917.db2.gz WJNHHACGLRKPKF-QLFBSQMISA-N 0 3 351.451 -0.526 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccn(CC)n2)C1)N(C)C ZINC001023984219 658009680 /nfs/dbraw/zinc/00/96/80/658009680.db2.gz WJNHHACGLRKPKF-RBSFLKMASA-N 0 3 351.451 -0.526 20 0 FBADHN CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O ZINC001024019763 658023537 /nfs/dbraw/zinc/02/35/37/658023537.db2.gz ZRLMNHALCALQPH-UMVBOHGHSA-N 0 3 351.451 -0.065 20 0 FBADHN CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1O ZINC001024019764 658023612 /nfs/dbraw/zinc/02/36/12/658023612.db2.gz ZRLMNHALCALQPH-VNHYZAJKSA-N 0 3 351.451 -0.065 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](CNCc3nnnn3C)C2)O1 ZINC001024037949 658027558 /nfs/dbraw/zinc/02/75/58/658027558.db2.gz CTWUXZVWYADZRA-HZSPNIEDSA-N 0 3 351.455 -0.743 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](CNCc3nnnn3C)C2)O1 ZINC001024037950 658027504 /nfs/dbraw/zinc/02/75/04/658027504.db2.gz CTWUXZVWYADZRA-MGPQQGTHSA-N 0 3 351.455 -0.743 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](CNCc3ncnn3C)C2)O1 ZINC001024039028 658027437 /nfs/dbraw/zinc/02/74/37/658027437.db2.gz MVXMVMGRHRGANY-QLFBSQMISA-N 0 3 350.467 -0.138 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](CNCc3ncnn3C)C2)O1 ZINC001024039029 658027279 /nfs/dbraw/zinc/02/72/79/658027279.db2.gz MVXMVMGRHRGANY-RBSFLKMASA-N 0 3 350.467 -0.138 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](CNCc3cnn(C)n3)C2)O1 ZINC001024039366 658028026 /nfs/dbraw/zinc/02/80/26/658028026.db2.gz VHQNYAOPNVAOHD-IIAWOOMASA-N 0 3 350.467 -0.138 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](CNCc3cnn(C)n3)C2)O1 ZINC001024039367 658028517 /nfs/dbraw/zinc/02/85/17/658028517.db2.gz VHQNYAOPNVAOHD-IJEWVQPXSA-N 0 3 350.467 -0.138 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](CNCc3cn(C)nn3)C2)O1 ZINC001024039509 658028188 /nfs/dbraw/zinc/02/81/88/658028188.db2.gz XSKPHWYQPZGELX-IIAWOOMASA-N 0 3 350.467 -0.138 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](CNCc3cn(C)nn3)C2)O1 ZINC001024039510 658028087 /nfs/dbraw/zinc/02/80/87/658028087.db2.gz XSKPHWYQPZGELX-IJEWVQPXSA-N 0 3 350.467 -0.138 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](CNCc3nncn3C)C2)O1 ZINC001024039527 658028670 /nfs/dbraw/zinc/02/86/70/658028670.db2.gz YCFINXBPUFTRNX-QLFBSQMISA-N 0 3 350.467 -0.138 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](CNCc3nncn3C)C2)O1 ZINC001024039528 658028154 /nfs/dbraw/zinc/02/81/54/658028154.db2.gz YCFINXBPUFTRNX-RBSFLKMASA-N 0 3 350.467 -0.138 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1)N(C)C ZINC001024053049 658032266 /nfs/dbraw/zinc/03/22/66/658032266.db2.gz ONZHACPJKVACOD-QLFBSQMISA-N 0 3 351.451 -0.701 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1)N(C)C ZINC001024053050 658032195 /nfs/dbraw/zinc/03/21/95/658032195.db2.gz ONZHACPJKVACOD-RBSFLKMASA-N 0 3 351.451 -0.701 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1)N(C)C ZINC001024066110 658036450 /nfs/dbraw/zinc/03/64/50/658036450.db2.gz LFZAMEWDLDLDJQ-FRRDWIJNSA-N 0 3 352.439 -0.752 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1)N(C)C ZINC001024066111 658036596 /nfs/dbraw/zinc/03/65/96/658036596.db2.gz LFZAMEWDLDLDJQ-JHJVBQTASA-N 0 3 352.439 -0.752 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1)N1CCCC1 ZINC001024074092 658041578 /nfs/dbraw/zinc/04/15/78/658041578.db2.gz JNCMVYRFTAGENN-LWGWVAHUSA-N 0 3 351.447 -0.415 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1O ZINC001024119810 658057575 /nfs/dbraw/zinc/05/75/75/658057575.db2.gz BACNWMDRCRGEPC-QLFBSQMISA-N 0 3 353.463 -0.146 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1O ZINC001024119812 658057930 /nfs/dbraw/zinc/05/79/30/658057930.db2.gz BACNWMDRCRGEPC-RBSFLKMASA-N 0 3 353.463 -0.146 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O ZINC001024119871 658058087 /nfs/dbraw/zinc/05/80/87/658058087.db2.gz BVSILPUMAZPFID-HZSPNIEDSA-N 0 3 353.419 -0.563 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O ZINC001024119872 658057864 /nfs/dbraw/zinc/05/78/64/658057864.db2.gz BVSILPUMAZPFID-MGPQQGTHSA-N 0 3 353.419 -0.563 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O ZINC001024120077 658057462 /nfs/dbraw/zinc/05/74/62/658057462.db2.gz DZFLBGZHGALPKA-FRRDWIJNSA-N 0 3 353.448 -0.286 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O ZINC001024120078 658058031 /nfs/dbraw/zinc/05/80/31/658058031.db2.gz DZFLBGZHGALPKA-JHJVBQTASA-N 0 3 353.448 -0.286 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O ZINC001024120521 658057966 /nfs/dbraw/zinc/05/79/66/658057966.db2.gz LGVMWJZVWZTGLU-BZUAXINKSA-N 0 3 351.447 -0.105 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O ZINC001024120523 658057549 /nfs/dbraw/zinc/05/75/49/658057549.db2.gz LGVMWJZVWZTGLU-OWCLPIDISA-N 0 3 351.447 -0.105 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O ZINC001024120598 658057687 /nfs/dbraw/zinc/05/76/87/658057687.db2.gz LXDJFOWTJPJLAX-QLFBSQMISA-N 0 3 350.419 -0.221 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O ZINC001024120600 658057809 /nfs/dbraw/zinc/05/78/09/658057809.db2.gz LXDJFOWTJPJLAX-RBSFLKMASA-N 0 3 350.419 -0.221 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O ZINC001024121114 658057426 /nfs/dbraw/zinc/05/74/26/658057426.db2.gz SMRXQKRWIGBFDL-BZUAXINKSA-N 0 3 353.463 -0.025 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O ZINC001024121115 658057833 /nfs/dbraw/zinc/05/78/33/658057833.db2.gz SMRXQKRWIGBFDL-OWCLPIDISA-N 0 3 353.463 -0.025 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O ZINC001024121123 658057997 /nfs/dbraw/zinc/05/79/97/658057997.db2.gz SRYMUYGJFJYKEW-GRYCIOLGSA-N 0 3 353.448 -0.286 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O ZINC001024121124 658058125 /nfs/dbraw/zinc/05/81/25/658058125.db2.gz SRYMUYGJFJYKEW-IJLUTSLNSA-N 0 3 353.448 -0.286 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001024121633 658057615 /nfs/dbraw/zinc/05/76/15/658057615.db2.gz HIXMOOQVAXYCEN-FRRDWIJNSA-N 0 3 354.451 -0.940 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O ZINC001024121634 658057371 /nfs/dbraw/zinc/05/73/71/658057371.db2.gz HIXMOOQVAXYCEN-JHJVBQTASA-N 0 3 354.451 -0.940 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O ZINC001024121994 658056099 /nfs/dbraw/zinc/05/60/99/658056099.db2.gz KXEQPMZDSWPWLC-GEONZQJFSA-N 0 3 351.447 -0.559 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O ZINC001024121995 658055844 /nfs/dbraw/zinc/05/58/44/658055844.db2.gz KXEQPMZDSWPWLC-TWHJKIGZSA-N 0 3 351.447 -0.559 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1O ZINC001024122027 658055908 /nfs/dbraw/zinc/05/59/08/658055908.db2.gz LJJGWMZMRVHJLO-FRRDWIJNSA-N 0 3 350.423 -0.711 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1O ZINC001024122028 658056039 /nfs/dbraw/zinc/05/60/39/658056039.db2.gz LJJGWMZMRVHJLO-JHJVBQTASA-N 0 3 350.423 -0.711 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O ZINC001024122048 658056838 /nfs/dbraw/zinc/05/68/38/658056838.db2.gz LXERKPFNKJPMSW-FRRDWIJNSA-N 0 3 353.398 -0.275 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O ZINC001024122049 658057033 /nfs/dbraw/zinc/05/70/33/658057033.db2.gz LXERKPFNKJPMSW-JHJVBQTASA-N 0 3 353.398 -0.275 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1O ZINC001024122084 658056662 /nfs/dbraw/zinc/05/66/62/658056662.db2.gz MTGDSVGPZOXABJ-FRRDWIJNSA-N 0 3 351.407 -0.446 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1O ZINC001024122085 658056891 /nfs/dbraw/zinc/05/68/91/658056891.db2.gz MTGDSVGPZOXABJ-JHJVBQTASA-N 0 3 351.407 -0.446 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O ZINC001024122088 658056934 /nfs/dbraw/zinc/05/69/34/658056934.db2.gz MUZCXSQJSJONMZ-QLFBSQMISA-N 0 3 350.419 -0.221 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O ZINC001024122089 658056605 /nfs/dbraw/zinc/05/66/05/658056605.db2.gz MUZCXSQJSJONMZ-RBSFLKMASA-N 0 3 350.419 -0.221 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1O ZINC001024122461 658056763 /nfs/dbraw/zinc/05/67/63/658056763.db2.gz YEOLVHAKZFIQSF-KGYLQXTDSA-N 0 3 353.448 -0.286 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1O ZINC001024122462 658056635 /nfs/dbraw/zinc/05/66/35/658056635.db2.gz YEOLVHAKZFIQSF-RAIGVLPGSA-N 0 3 353.448 -0.286 20 0 FBADHN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O ZINC001024137666 658063191 /nfs/dbraw/zinc/06/31/91/658063191.db2.gz VPCSSJKFQRLREZ-BZUAXINKSA-N 0 3 352.479 -0.356 20 0 FBADHN CCN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O ZINC001024137667 658062871 /nfs/dbraw/zinc/06/28/71/658062871.db2.gz VPCSSJKFQRLREZ-OWCLPIDISA-N 0 3 352.479 -0.356 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1)N(C)C ZINC001024143831 658064653 /nfs/dbraw/zinc/06/46/53/658064653.db2.gz HKXNGKVDFHFIAK-GRYCIOLGSA-N 0 3 368.459 -0.511 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1)N(C)C ZINC001024143832 658064807 /nfs/dbraw/zinc/06/48/07/658064807.db2.gz HKXNGKVDFHFIAK-IJLUTSLNSA-N 0 3 368.459 -0.511 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)o1 ZINC001024148266 658067716 /nfs/dbraw/zinc/06/77/16/658067716.db2.gz FMPRNYRXPHASGF-FMKPAKJESA-N 0 3 350.419 -0.446 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2O)o1 ZINC001024148267 658067430 /nfs/dbraw/zinc/06/74/30/658067430.db2.gz FMPRNYRXPHASGF-IIAWOOMASA-N 0 3 350.419 -0.446 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2O)o1 ZINC001024148307 658067327 /nfs/dbraw/zinc/06/73/27/658067327.db2.gz GVYNMAOPCDKVOK-FMKPAKJESA-N 0 3 352.435 -0.200 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2O)o1 ZINC001024148308 658067893 /nfs/dbraw/zinc/06/78/93/658067893.db2.gz GVYNMAOPCDKVOK-IIAWOOMASA-N 0 3 352.435 -0.200 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2O)o1 ZINC001024148518 658068232 /nfs/dbraw/zinc/06/82/32/658068232.db2.gz KXVIDIZSZWOBML-KCPJHIHWSA-N 0 3 350.419 -0.445 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2O)o1 ZINC001024148522 658067993 /nfs/dbraw/zinc/06/79/93/658067993.db2.gz KXVIDIZSZWOBML-NILFDRSVSA-N 0 3 350.419 -0.445 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2O)o1 ZINC001024148754 658069715 /nfs/dbraw/zinc/06/97/15/658069715.db2.gz PUQAXLAHCOHWSD-KCPJHIHWSA-N 0 3 350.419 -0.302 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2O)o1 ZINC001024148755 658069492 /nfs/dbraw/zinc/06/94/92/658069492.db2.gz PUQAXLAHCOHWSD-NILFDRSVSA-N 0 3 350.419 -0.302 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2O)o1 ZINC001024148785 658069801 /nfs/dbraw/zinc/06/98/01/658069801.db2.gz QPMLEJPPDKLPDF-ZIAGYGMSSA-N 0 3 350.419 -0.302 20 0 FBADHN O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001024150001 658068179 /nfs/dbraw/zinc/06/81/79/658068179.db2.gz BQEHUDYVMYDQKM-BZUAXINKSA-N 0 3 351.447 -0.272 20 0 FBADHN O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001024150002 658068331 /nfs/dbraw/zinc/06/83/31/658068331.db2.gz BQEHUDYVMYDQKM-OWCLPIDISA-N 0 3 351.447 -0.272 20 0 FBADHN Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2O)o1 ZINC001024150111 658068967 /nfs/dbraw/zinc/06/89/67/658068967.db2.gz GBNQPHYJUDOSMR-HUUCEWRRSA-N 0 3 350.419 -0.302 20 0 FBADHN CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001024150393 658068719 /nfs/dbraw/zinc/06/87/19/658068719.db2.gz PJEDXGHFMLZRTR-QLFBSQMISA-N 0 3 371.503 -0.319 20 0 FBADHN CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001024150394 658068644 /nfs/dbraw/zinc/06/86/44/658068644.db2.gz PJEDXGHFMLZRTR-RBSFLKMASA-N 0 3 371.503 -0.319 20 0 FBADHN CC(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001024150454 658068850 /nfs/dbraw/zinc/06/88/50/658068850.db2.gz RUBACEDYYYMWBK-BZUAXINKSA-N 0 3 353.463 -0.026 20 0 FBADHN CC(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001024150455 658069032 /nfs/dbraw/zinc/06/90/32/658069032.db2.gz RUBACEDYYYMWBK-OWCLPIDISA-N 0 3 353.463 -0.026 20 0 FBADHN O=C(N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001024150698 658068788 /nfs/dbraw/zinc/06/87/88/658068788.db2.gz ZOOOQQZNOHPMSW-FRRDWIJNSA-N 0 3 361.389 -0.417 20 0 FBADHN O=C(N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001024150700 658069121 /nfs/dbraw/zinc/06/91/21/658069121.db2.gz ZOOOQQZNOHPMSW-JHJVBQTASA-N 0 3 361.389 -0.417 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CNCc3cnns3)C2)O1 ZINC001024153715 658071179 /nfs/dbraw/zinc/07/11/79/658071179.db2.gz RXTAMVDVPRXUFW-KGYLQXTDSA-N 0 3 353.448 -0.101 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CNCc3cnns3)C2)O1 ZINC001024153716 658071292 /nfs/dbraw/zinc/07/12/92/658071292.db2.gz RXTAMVDVPRXUFW-WCFLWFBJSA-N 0 3 353.448 -0.101 20 0 FBADHN O=C(Cc1c[nH]cn1)N1C[C@@H](O)[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001024166244 658073032 /nfs/dbraw/zinc/07/30/32/658073032.db2.gz JLPMMSSYGMHYPH-GHMZBOCLSA-N 0 3 362.415 -0.317 20 0 FBADHN Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC001024173253 658077075 /nfs/dbraw/zinc/07/70/75/658077075.db2.gz UNTFOAICYBEPRG-MCIONIFRSA-N 0 3 351.451 -0.384 20 0 FBADHN Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001024173254 658077090 /nfs/dbraw/zinc/07/70/90/658077090.db2.gz UNTFOAICYBEPRG-MGPQQGTHSA-N 0 3 351.451 -0.384 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1)N(C)C ZINC001024179556 658079511 /nfs/dbraw/zinc/07/95/11/658079511.db2.gz MRPNRHZHYWIDMB-NFAWXSAZSA-N 0 3 354.476 -0.040 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1)N(C)C ZINC001024179558 658079570 /nfs/dbraw/zinc/07/95/70/658079570.db2.gz MRPNRHZHYWIDMB-UMVBOHGHSA-N 0 3 354.476 -0.040 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1)C1CCC1 ZINC001024179939 658079453 /nfs/dbraw/zinc/07/94/53/658079453.db2.gz SKKFIUMRZSIFQI-ZIAGYGMSSA-N 0 3 352.460 -0.142 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1)C1CC1 ZINC001024180949 658080048 /nfs/dbraw/zinc/08/00/48/658080048.db2.gz BXPGYUXGFYFHLR-NFAWXSAZSA-N 0 3 352.460 -0.286 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1)C1CC1 ZINC001024180951 658080169 /nfs/dbraw/zinc/08/01/69/658080169.db2.gz BXPGYUXGFYFHLR-UMVBOHGHSA-N 0 3 352.460 -0.286 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)C1 ZINC001024181531 658080942 /nfs/dbraw/zinc/08/09/42/658080942.db2.gz OADSFZNZWHVYPG-IACUBPJLSA-N 0 3 352.460 -0.285 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)C1 ZINC001024181532 658081108 /nfs/dbraw/zinc/08/11/08/658081108.db2.gz OADSFZNZWHVYPG-MRVWCRGKSA-N 0 3 352.460 -0.285 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001024181603 658081140 /nfs/dbraw/zinc/08/11/40/658081140.db2.gz PVSUBICVMMDTIW-IACUBPJLSA-N 0 3 352.460 -0.142 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001024181604 658081033 /nfs/dbraw/zinc/08/10/33/658081033.db2.gz PVSUBICVMMDTIW-MRVWCRGKSA-N 0 3 352.460 -0.142 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)CCC1 ZINC001024181959 658081484 /nfs/dbraw/zinc/08/14/84/658081484.db2.gz ZKJIJEGMYGLJBS-CHWSQXEVSA-N 0 3 352.460 -0.142 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)N(C)C ZINC001024184274 658082550 /nfs/dbraw/zinc/08/25/50/658082550.db2.gz JBXLYNRGUDKIFU-BZPMIXESSA-N 0 3 351.407 -0.930 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1)N(C)C ZINC001024184276 658082501 /nfs/dbraw/zinc/08/25/01/658082501.db2.gz JBXLYNRGUDKIFU-YRGRVCCFSA-N 0 3 351.407 -0.930 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1O ZINC001024189386 658083917 /nfs/dbraw/zinc/08/39/17/658083917.db2.gz AXATZAODJARIKH-NQBHXWOUSA-N 0 3 351.407 -0.935 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1O ZINC001024189387 658083702 /nfs/dbraw/zinc/08/37/02/658083702.db2.gz AXATZAODJARIKH-WZRBSPASSA-N 0 3 351.407 -0.935 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001024189613 658083995 /nfs/dbraw/zinc/08/39/95/658083995.db2.gz IHGQGVMXDDSRNO-GHMZBOCLSA-N 0 3 351.407 -0.790 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001024189669 658084028 /nfs/dbraw/zinc/08/40/28/658084028.db2.gz JMUDPCHGFNWJED-MVWJERBFSA-N 0 3 351.407 -0.933 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001024189670 658084100 /nfs/dbraw/zinc/08/41/00/658084100.db2.gz JMUDPCHGFNWJED-YUSALJHKSA-N 0 3 351.407 -0.933 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001024189935 658084445 /nfs/dbraw/zinc/08/44/45/658084445.db2.gz RUZXQNFDMGSGRJ-NQBHXWOUSA-N 0 3 353.423 -0.689 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC001024189936 658084552 /nfs/dbraw/zinc/08/45/52/658084552.db2.gz RUZXQNFDMGSGRJ-WZRBSPASSA-N 0 3 353.423 -0.689 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001024190288 658084619 /nfs/dbraw/zinc/08/46/19/658084619.db2.gz YGRKBXAGMNIZPX-MVWJERBFSA-N 0 3 351.407 -0.790 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001024190289 658084761 /nfs/dbraw/zinc/08/47/61/658084761.db2.gz YGRKBXAGMNIZPX-YUSALJHKSA-N 0 3 351.407 -0.790 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001024191006 658084664 /nfs/dbraw/zinc/08/46/64/658084664.db2.gz ODPHVNPECBTPGG-VXGBXAGGSA-N 0 3 351.407 -0.790 20 0 FBADHN CCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1O ZINC001024194112 658090183 /nfs/dbraw/zinc/09/01/83/658090183.db2.gz GEWATCAHDGIAOW-QLFBSQMISA-N 0 3 351.451 -0.376 20 0 FBADHN CCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O ZINC001024194113 658089989 /nfs/dbraw/zinc/08/99/89/658089989.db2.gz GEWATCAHDGIAOW-RBSFLKMASA-N 0 3 351.451 -0.376 20 0 FBADHN COC1CC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)C1 ZINC001024203979 658086203 /nfs/dbraw/zinc/08/62/03/658086203.db2.gz RVUDJMPLOSDYOH-NEXFUWMNSA-N 0 3 353.463 -0.026 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(F)CCOCC3)C2)C1 ZINC001024227420 658095017 /nfs/dbraw/zinc/09/50/17/658095017.db2.gz HSAIPBACHIHQMJ-BFHYXJOUSA-N 0 3 357.426 -0.465 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(F)CCOCC3)C2)C1 ZINC001024227421 658094778 /nfs/dbraw/zinc/09/47/78/658094778.db2.gz HSAIPBACHIHQMJ-MGPQQGTHSA-N 0 3 357.426 -0.465 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1)C1CC1 ZINC001024227425 658094589 /nfs/dbraw/zinc/09/45/89/658094589.db2.gz HVXXYKKZPMCOQN-MCIONIFRSA-N 0 3 357.426 -0.467 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1)C1CC1 ZINC001024227426 658094713 /nfs/dbraw/zinc/09/47/13/658094713.db2.gz HVXXYKKZPMCOQN-MGPQQGTHSA-N 0 3 357.426 -0.467 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(F)CCOCC3)C2)CCC1 ZINC001024227478 658094966 /nfs/dbraw/zinc/09/49/66/658094966.db2.gz JXSAAZYEUDOGEG-CHWSQXEVSA-N 0 3 357.426 -0.323 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001024227551 658094743 /nfs/dbraw/zinc/09/47/43/658094743.db2.gz MTXHSNHVAYYRHK-BFHYXJOUSA-N 0 3 357.426 -0.323 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001024227552 658094618 /nfs/dbraw/zinc/09/46/18/658094618.db2.gz MTXHSNHVAYYRHK-MGPQQGTHSA-N 0 3 357.426 -0.323 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1)N(C)C ZINC001024227598 658095065 /nfs/dbraw/zinc/09/50/65/658095065.db2.gz ONGSMSAXHRZONO-MCIONIFRSA-N 0 3 359.442 -0.221 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1)N(C)C ZINC001024229148 658095516 /nfs/dbraw/zinc/09/55/16/658095516.db2.gz ONGSMSAXHRZONO-MGPQQGTHSA-N 0 3 359.442 -0.221 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1)C1CCC1 ZINC001024230565 658097617 /nfs/dbraw/zinc/09/76/17/658097617.db2.gz NRBQFTQNPYPBEM-ZIAGYGMSSA-N 0 3 357.426 -0.323 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1)N(C)C ZINC001024244949 658100314 /nfs/dbraw/zinc/10/03/14/658100314.db2.gz KFFCWBPALQPVAX-QLFBSQMISA-N 0 3 351.451 -0.701 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1)N(C)C ZINC001024244951 658100142 /nfs/dbraw/zinc/10/01/42/658100142.db2.gz KFFCWBPALQPVAX-RBSFLKMASA-N 0 3 351.451 -0.701 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1)N(C)C ZINC001024266683 658105201 /nfs/dbraw/zinc/10/52/01/658105201.db2.gz MBPXTVXJCGICTF-KBUPBQIOSA-N 0 3 354.451 -0.975 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1)N(C)C ZINC001024266684 658105228 /nfs/dbraw/zinc/10/52/28/658105228.db2.gz MBPXTVXJCGICTF-LXTVHRRPSA-N 0 3 354.451 -0.975 20 0 FBADHN Cc1noc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2O)c1C ZINC001024298126 658114349 /nfs/dbraw/zinc/11/43/49/658114349.db2.gz OCRACQZBKBKYSX-LERXQTSPSA-N 0 3 350.419 -0.065 20 0 FBADHN Cc1noc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2O)c1C ZINC001024298127 658114587 /nfs/dbraw/zinc/11/45/87/658114587.db2.gz OCRACQZBKBKYSX-ZLKJLUDKSA-N 0 3 350.419 -0.065 20 0 FBADHN Cc1noc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)c1C ZINC001024298301 658114708 /nfs/dbraw/zinc/11/47/08/658114708.db2.gz VGFVYEYWPPGTLN-MCIONIFRSA-N 0 3 350.419 -0.067 20 0 FBADHN Cc1noc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2O)c1C ZINC001024298302 658114615 /nfs/dbraw/zinc/11/46/15/658114615.db2.gz VGFVYEYWPPGTLN-MGPQQGTHSA-N 0 3 350.419 -0.067 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)[NH+](C)C ZINC001024298831 658114253 /nfs/dbraw/zinc/11/42/53/658114253.db2.gz KWOHSUWLSNHHQI-JHJVBQTASA-N 0 3 351.407 -0.930 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)[NH+](C)C ZINC001024298832 658114365 /nfs/dbraw/zinc/11/43/65/658114365.db2.gz KWOHSUWLSNHHQI-UPJWGTAASA-N 0 3 351.407 -0.930 20 0 FBADHN CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2O)[nH]n1 ZINC001024314140 658121200 /nfs/dbraw/zinc/12/12/00/658121200.db2.gz DMSSPBYKUSVUKW-FRRDWIJNSA-N 0 3 353.423 -0.550 20 0 FBADHN CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2O)[nH]n1 ZINC001024314141 658121298 /nfs/dbraw/zinc/12/12/98/658121298.db2.gz DMSSPBYKUSVUKW-JHJVBQTASA-N 0 3 353.423 -0.550 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1)N(C)C ZINC001024334348 658123885 /nfs/dbraw/zinc/12/38/85/658123885.db2.gz PTFSEPAVIXWBQE-QLFBSQMISA-N 0 3 352.410 -0.209 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1)N(C)C ZINC001024334349 658123749 /nfs/dbraw/zinc/12/37/49/658123749.db2.gz PTFSEPAVIXWBQE-RBSFLKMASA-N 0 3 352.410 -0.209 20 0 FBADHN CCc1c[nH]c(CC(=O)N[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2O)n1 ZINC001024368949 658134703 /nfs/dbraw/zinc/13/47/03/658134703.db2.gz VRKRGIIARKXOCN-HZSPNIEDSA-N 0 3 351.451 -0.457 20 0 FBADHN CCc1c[nH]c(CC(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2O)n1 ZINC001024368950 658134677 /nfs/dbraw/zinc/13/46/77/658134677.db2.gz VRKRGIIARKXOCN-MGPQQGTHSA-N 0 3 351.451 -0.457 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001024372601 658135866 /nfs/dbraw/zinc/13/58/66/658135866.db2.gz RYFXVHPJZJLKHK-MMTVNHQJSA-N 0 3 353.463 -0.026 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001024375477 658132267 /nfs/dbraw/zinc/13/22/67/658132267.db2.gz FMDHVSUDYDOZEW-TUVASFSCSA-N 0 3 353.463 -0.026 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(COC)n2)C1)N(C)C ZINC001024405573 658146170 /nfs/dbraw/zinc/14/61/70/658146170.db2.gz VOZUGVXZNCXLKY-RAIGVLPGSA-N 0 3 370.475 -0.069 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(COC)n2)C1)N(C)C ZINC001024407740 658147090 /nfs/dbraw/zinc/14/70/90/658147090.db2.gz VOZUGVXZNCXLKY-KGYLQXTDSA-N 0 3 370.475 -0.069 20 0 FBADHN Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1O ZINC001024428740 658154360 /nfs/dbraw/zinc/15/43/60/658154360.db2.gz XEIVQWVUSHSXEM-FRRDWIJNSA-N 0 3 351.407 -0.448 20 0 FBADHN Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1O ZINC001024428741 658154103 /nfs/dbraw/zinc/15/41/03/658154103.db2.gz XEIVQWVUSHSXEM-JHJVBQTASA-N 0 3 351.407 -0.448 20 0 FBADHN Cc1nonc1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1O ZINC001024428889 658155100 /nfs/dbraw/zinc/15/51/00/658155100.db2.gz DTCJJYZKGCHWAK-VXGBXAGGSA-N 0 3 351.407 -0.446 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001024429265 658155253 /nfs/dbraw/zinc/15/52/53/658155253.db2.gz NBVSZFYANRGXKN-FRRDWIJNSA-N 0 3 351.407 -0.446 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001024429267 658155071 /nfs/dbraw/zinc/15/50/71/658155071.db2.gz NBVSZFYANRGXKN-JHJVBQTASA-N 0 3 351.407 -0.446 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2O)nn1C ZINC001024436251 658153434 /nfs/dbraw/zinc/15/34/34/658153434.db2.gz ZYXJBTFTHZEXEI-QLFBSQMISA-N 0 3 351.451 -0.376 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2O)nn1C ZINC001024436254 658153489 /nfs/dbraw/zinc/15/34/89/658153489.db2.gz ZYXJBTFTHZEXEI-RBSFLKMASA-N 0 3 351.451 -0.376 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1)N(C)C ZINC001024439073 658158518 /nfs/dbraw/zinc/15/85/18/658158518.db2.gz HTAQVEHVJQMKRT-FRRDWIJNSA-N 0 3 352.439 -0.752 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1)N(C)C ZINC001024439074 658158585 /nfs/dbraw/zinc/15/85/85/658158585.db2.gz HTAQVEHVJQMKRT-JHJVBQTASA-N 0 3 352.439 -0.752 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(COC)s2)C1)N(C)C ZINC001024441815 658161281 /nfs/dbraw/zinc/16/12/81/658161281.db2.gz LVYLFZPFLVCVPS-GRYCIOLGSA-N 0 3 370.475 -0.069 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(COC)s2)C1)N(C)C ZINC001024441816 658161345 /nfs/dbraw/zinc/16/13/45/658161345.db2.gz LVYLFZPFLVCVPS-IJLUTSLNSA-N 0 3 370.475 -0.069 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1)N(C)C ZINC001024462550 658171317 /nfs/dbraw/zinc/17/13/17/658171317.db2.gz OOYBTLGAOPGJPS-HZSPNIEDSA-N 0 3 355.414 -0.506 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1)N(C)C ZINC001024462551 658171462 /nfs/dbraw/zinc/17/14/62/658171462.db2.gz OOYBTLGAOPGJPS-MGPQQGTHSA-N 0 3 355.414 -0.506 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001024486162 658176830 /nfs/dbraw/zinc/17/68/30/658176830.db2.gz MAEULGWEYOLDBL-JHJVBQTASA-N 0 3 369.491 -0.012 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC001024486163 658177029 /nfs/dbraw/zinc/17/70/29/658177029.db2.gz MAEULGWEYOLDBL-UPJWGTAASA-N 0 3 369.491 -0.012 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1O ZINC001024486445 658177776 /nfs/dbraw/zinc/17/77/76/658177776.db2.gz WNDVRZHGNAODJP-GRYCIOLGSA-N 0 3 355.464 -0.258 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O ZINC001024486446 658177668 /nfs/dbraw/zinc/17/76/68/658177668.db2.gz WNDVRZHGNAODJP-IJLUTSLNSA-N 0 3 355.464 -0.258 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001024486876 658177718 /nfs/dbraw/zinc/17/77/18/658177718.db2.gz AQUJWFYGDDIKMZ-CHWSQXEVSA-N 0 3 367.475 -0.114 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001024487802 658178699 /nfs/dbraw/zinc/17/86/99/658178699.db2.gz LRMNCZOTNNURRQ-VXGBXAGGSA-N 0 3 367.475 -0.114 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001024487813 658179049 /nfs/dbraw/zinc/17/90/49/658179049.db2.gz METHFVVEUUOUSE-GHMZBOCLSA-N 0 3 350.404 -0.632 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001024488467 658178970 /nfs/dbraw/zinc/17/89/70/658178970.db2.gz RTYSMOMVNDBMHN-CYZMBNFOSA-N 0 3 367.475 -0.256 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001024488470 658179037 /nfs/dbraw/zinc/17/90/37/658179037.db2.gz RTYSMOMVNDBMHN-RAIGVLPGSA-N 0 3 367.475 -0.256 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001024488973 658179631 /nfs/dbraw/zinc/17/96/31/658179631.db2.gz XPNJUADNPVZKMF-CYZMBNFOSA-N 0 3 367.475 -0.114 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001024488976 658179512 /nfs/dbraw/zinc/17/95/12/658179512.db2.gz XPNJUADNPVZKMF-RAIGVLPGSA-N 0 3 367.475 -0.114 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1O ZINC001024489038 658179536 /nfs/dbraw/zinc/17/95/36/658179536.db2.gz YTWXKTPXMSVWTJ-JHJVBQTASA-N 0 3 367.475 -0.258 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1O ZINC001024489039 658179426 /nfs/dbraw/zinc/17/94/26/658179426.db2.gz YTWXKTPXMSVWTJ-UPJWGTAASA-N 0 3 367.475 -0.258 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2Cl)C1)N(C)C ZINC001024501059 658185298 /nfs/dbraw/zinc/18/52/98/658185298.db2.gz CFGHEOVDWXDIDK-JHJVBQTASA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2Cl)C1)N(C)C ZINC001024501060 658185080 /nfs/dbraw/zinc/18/50/80/658185080.db2.gz CFGHEOVDWXDIDK-UPJWGTAASA-N 0 3 371.869 -0.039 20 0 FBADHN 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ZINC001024503095 658186932 /nfs/dbraw/zinc/18/69/32/658186932.db2.gz YBCNISHWEGJQGG-RAIGVLPGSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2Cl)C1)C1CCC1 ZINC001024503577 658187083 /nfs/dbraw/zinc/18/70/83/658187083.db2.gz HMAPPQHCXTZDEP-CHWSQXEVSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1)C1CCC1 ZINC001024504148 658188075 /nfs/dbraw/zinc/18/80/75/658188075.db2.gz OKNQKWRKIYLCDI-BZUAXINKSA-N 0 3 352.479 -0.357 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1)C1CCC1 ZINC001024504150 658188190 /nfs/dbraw/zinc/18/81/90/658188190.db2.gz OKNQKWRKIYLCDI-OWCLPIDISA-N 0 3 352.479 -0.357 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCCN2CCn2cncn2)O1 ZINC001024507517 658192601 /nfs/dbraw/zinc/19/26/01/658192601.db2.gz VUFQCYSVVNWYKJ-BZUAXINKSA-N 0 3 350.467 -0.032 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCCN2CCn2cncn2)O1 ZINC001024507518 658192252 /nfs/dbraw/zinc/19/22/52/658192252.db2.gz 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ZINC001024533484 658200257 /nfs/dbraw/zinc/20/02/57/658200257.db2.gz QTAMJICCGOWGBU-FRRDWIJNSA-N 0 3 350.423 -0.773 20 0 FBADHN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1O ZINC001024533484 658200251 /nfs/dbraw/zinc/20/02/51/658200251.db2.gz QTAMJICCGOWGBU-FRRDWIJNSA-N 0 3 350.423 -0.773 20 0 FBADHN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1O ZINC001024533485 658200022 /nfs/dbraw/zinc/20/00/22/658200022.db2.gz QTAMJICCGOWGBU-JHJVBQTASA-N 0 3 350.423 -0.773 20 0 FBADHN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1O ZINC001024533485 658200014 /nfs/dbraw/zinc/20/00/14/658200014.db2.gz QTAMJICCGOWGBU-JHJVBQTASA-N 0 3 350.423 -0.773 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O ZINC001024533703 658200047 /nfs/dbraw/zinc/20/00/47/658200047.db2.gz UDKCMRAMSGJSRP-HZSPNIEDSA-N 0 3 367.475 -0.040 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O ZINC001024533705 658199865 /nfs/dbraw/zinc/19/98/65/658199865.db2.gz UDKCMRAMSGJSRP-MGPQQGTHSA-N 0 3 367.475 -0.040 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O ZINC001024533937 658200282 /nfs/dbraw/zinc/20/02/82/658200282.db2.gz XVOVRPCXBOZSPF-FRRDWIJNSA-N 0 3 367.475 -0.040 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O ZINC001024533938 658199927 /nfs/dbraw/zinc/19/99/27/658199927.db2.gz XVOVRPCXBOZSPF-JHJVBQTASA-N 0 3 367.475 -0.040 20 0 FBADHN CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC001024535570 658200770 /nfs/dbraw/zinc/20/07/70/658200770.db2.gz KPIODOAZTKZAQU-KFWWJZLASA-N 0 3 351.451 -0.140 20 0 FBADHN CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001024535572 658200942 /nfs/dbraw/zinc/20/09/42/658200942.db2.gz KPIODOAZTKZAQU-RBSFLKMASA-N 0 3 351.451 -0.140 20 0 FBADHN CN(C)Cc1ccsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024547970 658202761 /nfs/dbraw/zinc/20/27/61/658202761.db2.gz MCLHNRAPWDDWRN-VXGBXAGGSA-N 0 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CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1)N(C)C ZINC001024878588 658318199 /nfs/dbraw/zinc/31/81/99/658318199.db2.gz HZRHQDHNDGJONA-YRGRVCCFSA-N 0 3 371.869 -0.039 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001024878675 658318057 /nfs/dbraw/zinc/31/80/57/658318057.db2.gz KYMNUCVWKIXMBO-CYZMBNFOSA-N 0 3 369.853 -0.141 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001024878676 658318256 /nfs/dbraw/zinc/31/82/56/658318256.db2.gz KYMNUCVWKIXMBO-RAIGVLPGSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1)C1CCC1 ZINC001024878682 658318005 /nfs/dbraw/zinc/31/80/05/658318005.db2.gz LDVZZEHJQABLTH-CHWSQXEVSA-N 0 3 369.853 -0.141 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1)N(C)C ZINC001024878857 658319343 /nfs/dbraw/zinc/31/93/43/658319343.db2.gz OXIUHMUVZZJFRN-GRYCIOLGSA-N 0 3 357.842 -0.285 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1)N(C)C ZINC001024878858 658318932 /nfs/dbraw/zinc/31/89/32/658318932.db2.gz OXIUHMUVZZJFRN-IJLUTSLNSA-N 0 3 357.842 -0.285 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(Cl)n(C)n3)C2)CCC1 ZINC001024879135 658318870 /nfs/dbraw/zinc/31/88/70/658318870.db2.gz ZEYBVTPWDPYZEZ-VXGBXAGGSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1)C1CC1 ZINC001024879161 658319235 /nfs/dbraw/zinc/31/92/35/658319235.db2.gz ZRPBPMWRNRHMCT-BZPMIXESSA-N 0 3 369.853 -0.285 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1)C1CC1 ZINC001024879162 658319129 /nfs/dbraw/zinc/31/91/29/658319129.db2.gz ZRPBPMWRNRHMCT-YRGRVCCFSA-N 0 3 369.853 -0.285 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1)N(C)C ZINC001024881362 658321021 /nfs/dbraw/zinc/32/10/21/658321021.db2.gz JDNOXFZCHQYBKB-FRRDWIJNSA-N 0 3 353.423 -0.930 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1)N(C)C ZINC001024881363 658321165 /nfs/dbraw/zinc/32/11/65/658321165.db2.gz JDNOXFZCHQYBKB-JHJVBQTASA-N 0 3 353.423 -0.930 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1)N(C)C ZINC001024883610 658322015 /nfs/dbraw/zinc/32/20/15/658322015.db2.gz UTYJXOZGAGFJNL-FRRDWIJNSA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1)N(C)C ZINC001024883612 658321548 /nfs/dbraw/zinc/32/15/48/658321548.db2.gz UTYJXOZGAGFJNL-JHJVBQTASA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1)N(C)C ZINC001024893504 658324403 /nfs/dbraw/zinc/32/44/03/658324403.db2.gz RWPSGJNYNCVIRB-FRRDWIJNSA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1)N(C)C ZINC001024893505 658324111 /nfs/dbraw/zinc/32/41/11/658324111.db2.gz RWPSGJNYNCVIRB-JHJVBQTASA-N 0 3 351.407 -0.873 20 0 FBADHN CC(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 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/nfs/dbraw/zinc/32/75/57/658327557.db2.gz MZSRVEFXJZCEOV-MGPQQGTHSA-N 0 3 350.419 -0.973 20 0 FBADHN CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024919326 658327954 /nfs/dbraw/zinc/32/79/54/658327954.db2.gz VPVRJSZHCHNYIL-GPAJDLMQSA-N 0 3 359.373 -0.807 20 0 FBADHN CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024919328 658327785 /nfs/dbraw/zinc/32/77/85/658327785.db2.gz VPVRJSZHCHNYIL-ZTTGAQHXSA-N 0 3 359.373 -0.807 20 0 FBADHN CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024920605 658328366 /nfs/dbraw/zinc/32/83/66/658328366.db2.gz VRDRZYZWBKQDPE-FSRUHOLFSA-N 0 3 351.447 -0.416 20 0 FBADHN CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024920610 658328582 /nfs/dbraw/zinc/32/85/82/658328582.db2.gz VRDRZYZWBKQDPE-NPGPETNGSA-N 0 3 351.447 -0.416 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)no1 ZINC001024924032 658328884 /nfs/dbraw/zinc/32/88/84/658328884.db2.gz 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BDHTYGQOHKUMJL-HZSPNIEDSA-N 0 3 351.407 -0.366 20 0 FBADHN CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025242199 658439555 /nfs/dbraw/zinc/43/95/55/658439555.db2.gz BDHTYGQOHKUMJL-MGPQQGTHSA-N 0 3 351.407 -0.366 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1)N1CCCCCC1 ZINC001025243324 658438595 /nfs/dbraw/zinc/43/85/95/658438595.db2.gz YJYCSFSXEXFOGA-IACUBPJLSA-N 0 3 351.407 -0.364 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1)N1CCCCCC1 ZINC001025243326 658438609 /nfs/dbraw/zinc/43/86/09/658438609.db2.gz YJYCSFSXEXFOGA-MRVWCRGKSA-N 0 3 351.407 -0.364 20 0 FBADHN CC(C)c1nnsc1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001025267723 658444341 /nfs/dbraw/zinc/44/43/41/658444341.db2.gz WJKNOQSROOMAGN-GHMZBOCLSA-N 0 3 364.431 -0.071 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)c2C)C1)N(C)C ZINC001025276816 658446303 /nfs/dbraw/zinc/44/63/03/658446303.db2.gz QOCOVPSLDXXXFP-QLFBSQMISA-N 0 3 351.451 -0.147 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)c2C)C1)N(C)C ZINC001025276817 658446555 /nfs/dbraw/zinc/44/65/55/658446555.db2.gz QOCOVPSLDXXXFP-RBSFLKMASA-N 0 3 351.451 -0.147 20 0 FBADHN COc1ccc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2O)o1 ZINC001025282479 658450340 /nfs/dbraw/zinc/45/03/40/658450340.db2.gz FMDZMWRRODZUFO-JHJVBQTASA-N 0 3 351.403 -0.069 20 0 FBADHN COc1ccc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2O)o1 ZINC001025282480 658450482 /nfs/dbraw/zinc/45/04/82/658450482.db2.gz FMDZMWRRODZUFO-YNEHKIRRSA-N 0 3 351.403 -0.069 20 0 FBADHN COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)o1 ZINC001025282710 658451235 /nfs/dbraw/zinc/45/12/35/658451235.db2.gz HRFNYUBMBZFEFM-JMSVASOKSA-N 0 3 351.403 -0.070 20 0 FBADHN COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2O)o1 ZINC001025282711 658451511 /nfs/dbraw/zinc/45/15/11/658451511.db2.gz HRFNYUBMBZFEFM-LALPHHSUSA-N 0 3 351.403 -0.070 20 0 FBADHN Cc1nc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2O)c(C)o1 ZINC001025288802 658451448 /nfs/dbraw/zinc/45/14/48/658451448.db2.gz JLWKOSWYWYCALL-LERXQTSPSA-N 0 3 350.419 -0.065 20 0 FBADHN Cc1nc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2O)c(C)o1 ZINC001025288803 658451269 /nfs/dbraw/zinc/45/12/69/658451269.db2.gz JLWKOSWYWYCALL-ZLKJLUDKSA-N 0 3 350.419 -0.065 20 0 FBADHN Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2O)c(C)o1 ZINC001025289461 658455691 /nfs/dbraw/zinc/45/56/91/658455691.db2.gz VDNILKSMDCMYMH-NFAWXSAZSA-N 0 3 350.419 -0.067 20 0 FBADHN Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2O)c(C)o1 ZINC001025289462 658455885 /nfs/dbraw/zinc/45/58/85/658455885.db2.gz VDNILKSMDCMYMH-UMVBOHGHSA-N 0 3 350.419 -0.067 20 0 FBADHN CC1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2O)CC1 ZINC001025290633 658453873 /nfs/dbraw/zinc/45/38/73/658453873.db2.gz UWMWYMMCIAJELE-BZUAXINKSA-N 0 3 352.479 -0.500 20 0 FBADHN CC1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2O)CC1 ZINC001025290634 658453924 /nfs/dbraw/zinc/45/39/24/658453924.db2.gz UWMWYMMCIAJELE-OWCLPIDISA-N 0 3 352.479 -0.500 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2O)n(C)n1 ZINC001025291688 658454009 /nfs/dbraw/zinc/45/40/09/658454009.db2.gz VMVKFQWVRYNAMX-UMVBOHGHSA-N 0 3 351.451 -0.376 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2O)n(C)n1 ZINC001025291689 658454253 /nfs/dbraw/zinc/45/42/53/658454253.db2.gz VMVKFQWVRYNAMX-VNHYZAJKSA-N 0 3 351.451 -0.376 20 0 FBADHN CC1CCN(CC(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2O)CC1 ZINC001025292142 658455290 /nfs/dbraw/zinc/45/52/90/658455290.db2.gz LZKIGPHBBFDALW-HZPDHXFCSA-N 0 3 352.479 -0.498 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1)N(C)C ZINC001025292482 658455232 /nfs/dbraw/zinc/45/52/32/658455232.db2.gz SMERHGMKTFYSGS-BZUAXINKSA-N 0 3 354.495 -0.254 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1)N(C)C ZINC001025292483 658454884 /nfs/dbraw/zinc/45/48/84/658454884.db2.gz SMERHGMKTFYSGS-OWCLPIDISA-N 0 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CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C(F)F)c2)C1)N(C)C ZINC001025312112 658462131 /nfs/dbraw/zinc/46/21/31/658462131.db2.gz OTTXIWCSMHQXMX-IJLUTSLNSA-N 0 3 359.377 -0.080 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCOC2)C1)N1CCCC1 ZINC001025312569 658461894 /nfs/dbraw/zinc/46/18/94/658461894.db2.gz SRUHBMIQWGUGKD-HBUWYVDXSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCOC2)C1)N1CCCC1 ZINC001025312570 658461964 /nfs/dbraw/zinc/46/19/64/658461964.db2.gz SRUHBMIQWGUGKD-LBTNJELSSA-N 0 3 353.463 -0.025 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCOC2)C1)C1CCC1 ZINC001025324357 658470082 /nfs/dbraw/zinc/47/00/82/658470082.db2.gz CCRARQFOYKSEBR-IIDMSEBBSA-N 0 3 353.463 -0.025 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCOC2)C1)C1CCC1 ZINC001025324358 658469993 /nfs/dbraw/zinc/46/99/93/658469993.db2.gz CCRARQFOYKSEBR-RKVPGOIHSA-N 0 3 353.463 -0.025 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@]3(C)CCCOC3)C2)CCC1 ZINC001025325876 658471576 /nfs/dbraw/zinc/47/15/76/658471576.db2.gz VSBUGEWBZZLWTF-CKEIUWERSA-N 0 3 353.463 -0.025 20 0 FBADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@]3(C)CCCOC3)C2)CCC1 ZINC001025325878 658471635 /nfs/dbraw/zinc/47/16/35/658471635.db2.gz VSBUGEWBZZLWTF-CPUCHLNUSA-N 0 3 353.463 -0.025 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(Cl)no3)C2)C1 ZINC001025402819 658499803 /nfs/dbraw/zinc/49/98/03/658499803.db2.gz JVNRLKJVFNNOQG-GMTAPVOTSA-N 0 3 356.810 -0.029 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(Cl)no3)C2)C1 ZINC001025402821 658499769 /nfs/dbraw/zinc/49/97/69/658499769.db2.gz JVNRLKJVFNNOQG-HBNTYKKESA-N 0 3 356.810 -0.029 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1)C1CC1 ZINC001025403299 658501111 /nfs/dbraw/zinc/50/11/11/658501111.db2.gz QKIOMYMRCMOKHX-BREBYQMCSA-N 0 3 356.810 -0.030 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1)C1CC1 ZINC001025403300 658501874 /nfs/dbraw/zinc/50/18/74/658501874.db2.gz QKIOMYMRCMOKHX-GIPNMCIBSA-N 0 3 356.810 -0.030 20 0 FBADHN CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2O)nn1 ZINC001025406748 658502637 /nfs/dbraw/zinc/50/26/37/658502637.db2.gz VDJNJODXARYEGM-KWCYVHTRSA-N 0 3 352.439 -0.670 20 0 FBADHN CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2O)nn1 ZINC001025406751 658502723 /nfs/dbraw/zinc/50/27/23/658502723.db2.gz VDJNJODXARYEGM-MRVWCRGKSA-N 0 3 352.439 -0.670 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)nn2)C1)N(C)C ZINC001025410129 658505414 /nfs/dbraw/zinc/50/54/14/658505414.db2.gz ZCXVIVVYJMUMPZ-KWCYVHTRSA-N 0 3 352.439 -0.499 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)nn2)C1)N(C)C ZINC001025410130 658505463 /nfs/dbraw/zinc/50/54/63/658505463.db2.gz ZCXVIVVYJMUMPZ-MRVWCRGKSA-N 0 3 352.439 -0.499 20 0 FBADHN CCn1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2O)nn1 ZINC001025411433 658505561 /nfs/dbraw/zinc/50/55/61/658505561.db2.gz QYZBJIZLPKYSIJ-TZMCWYRMSA-N 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CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(COC)n2)C1)N(C)C ZINC001025414708 658506439 /nfs/dbraw/zinc/50/64/39/658506439.db2.gz UDBANXMCWIUJRY-KGYLQXTDSA-N 0 3 354.407 -0.537 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(COC)n2)C1)N(C)C ZINC001025414710 658506741 /nfs/dbraw/zinc/50/67/41/658506741.db2.gz UDBANXMCWIUJRY-RAIGVLPGSA-N 0 3 354.407 -0.537 20 0 FBADHN Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC001025426917 658511174 /nfs/dbraw/zinc/51/11/74/658511174.db2.gz FFWCSARPXLEJQS-NFAWXSAZSA-N 0 3 353.423 -0.805 20 0 FBADHN Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001025426918 658511285 /nfs/dbraw/zinc/51/12/85/658511285.db2.gz FFWCSARPXLEJQS-UMVBOHGHSA-N 0 3 353.423 -0.805 20 0 FBADHN Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001025427129 658511997 /nfs/dbraw/zinc/51/19/97/658511997.db2.gz IVKRHWVPOOCFLQ-LERXQTSPSA-N 0 3 351.407 -0.907 20 0 FBADHN Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001025427130 658512047 /nfs/dbraw/zinc/51/20/47/658512047.db2.gz IVKRHWVPOOCFLQ-ZLKJLUDKSA-N 0 3 351.407 -0.907 20 0 FBADHN Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001025427372 658511860 /nfs/dbraw/zinc/51/18/60/658511860.db2.gz NKYVSPTUEZWTCE-CHWSQXEVSA-N 0 3 351.407 -0.907 20 0 FBADHN Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001025428489 658512148 /nfs/dbraw/zinc/51/21/48/658512148.db2.gz GWLKBSCDGKJCFP-ZIAGYGMSSA-N 0 3 351.407 -0.907 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)n2)C1)N(C)C ZINC001025438281 658514947 /nfs/dbraw/zinc/51/49/47/658514947.db2.gz KOJQCYULBPDJFI-HZSPNIEDSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)n2)C1)N(C)C ZINC001025438282 658515170 /nfs/dbraw/zinc/51/51/70/658515170.db2.gz KOJQCYULBPDJFI-MGPQQGTHSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1)N(C)C ZINC001025454649 658518297 /nfs/dbraw/zinc/51/82/97/658518297.db2.gz 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658543733 /nfs/dbraw/zinc/54/37/33/658543733.db2.gz ATPOPERWBLOVHG-MCIONIFRSA-N 0 3 350.419 -0.121 20 0 FBADHN CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1O ZINC001025551586 658543764 /nfs/dbraw/zinc/54/37/64/658543764.db2.gz ATPOPERWBLOVHG-MGPQQGTHSA-N 0 3 350.419 -0.121 20 0 FBADHN CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001025551944 658543689 /nfs/dbraw/zinc/54/36/89/658543689.db2.gz HVWHOGQHDBSCHU-IACUBPJLSA-N 0 3 350.419 -0.120 20 0 FBADHN CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001025551945 658543758 /nfs/dbraw/zinc/54/37/58/658543758.db2.gz HVWHOGQHDBSCHU-MRVWCRGKSA-N 0 3 350.419 -0.120 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1)N(C)C ZINC001025557733 658544394 /nfs/dbraw/zinc/54/43/94/658544394.db2.gz NWGWPZWQKBEOPV-YRGRVCCFSA-N 0 3 350.419 -0.973 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1)N(C)C ZINC001025559083 658545359 /nfs/dbraw/zinc/54/53/59/658545359.db2.gz 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ZINC001025701811 658593035 /nfs/dbraw/zinc/59/30/35/658593035.db2.gz JRYXKUDJGHLSMZ-FMKPAKJESA-N 0 3 351.451 -0.534 20 0 FBADHN Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2O)n1 ZINC001025701812 658592952 /nfs/dbraw/zinc/59/29/52/658592952.db2.gz JRYXKUDJGHLSMZ-IIAWOOMASA-N 0 3 351.451 -0.534 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1O ZINC001025708055 658599323 /nfs/dbraw/zinc/59/93/23/658599323.db2.gz BTSVTKVBMKZWIP-TUVASFSCSA-N 0 3 353.463 -0.026 20 0 FBADHN CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001025744429 658615848 /nfs/dbraw/zinc/61/58/48/658615848.db2.gz BQZGUJRFAKWWFT-HZSPNIEDSA-N 0 3 354.451 -0.796 20 0 FBADHN CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001025744430 658615766 /nfs/dbraw/zinc/61/57/66/658615766.db2.gz BQZGUJRFAKWWFT-MGPQQGTHSA-N 0 3 354.451 -0.796 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnn(CC)c2)C1)N(C)C ZINC001025747633 658624397 /nfs/dbraw/zinc/62/43/97/658624397.db2.gz 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20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2CC)C1)N(C)C ZINC001025779186 658632124 /nfs/dbraw/zinc/63/21/24/658632124.db2.gz AOPUCGNWQAFQTF-VNHYZAJKSA-N 0 3 351.451 -0.147 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001025797813 658640150 /nfs/dbraw/zinc/64/01/50/658640150.db2.gz UABGMSDDPAYCPI-REISYBLGSA-N 0 3 369.487 -0.649 20 0 FBADHN CS(=O)(=O)N1CC[C@@H](CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001025797814 658640265 /nfs/dbraw/zinc/64/02/65/658640265.db2.gz UABGMSDDPAYCPI-YDVRFCCISA-N 0 3 369.487 -0.649 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)[nH]c2=O)C1)N(C)C ZINC001025798088 658640336 /nfs/dbraw/zinc/64/03/36/658640336.db2.gz JWXKFOCMHVPROV-HZSPNIEDSA-N 0 3 350.419 -0.263 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)[nH]c2=O)C1)N(C)C ZINC001025798089 658640872 /nfs/dbraw/zinc/64/08/72/658640872.db2.gz JWXKFOCMHVPROV-MGPQQGTHSA-N 0 3 350.419 -0.263 20 0 FBADHN CCc1[nH]nc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001025803131 658643214 /nfs/dbraw/zinc/64/32/14/658643214.db2.gz VYEPZSKHPRSMGW-GHMZBOCLSA-N 0 3 366.809 -0.107 20 0 FBADHN O=C(N[C@@H]1[C@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@H]21)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001025815051 658642745 /nfs/dbraw/zinc/64/27/45/658642745.db2.gz IEGJGRVFHOJLIU-DIBLEFCOSA-N 0 3 364.471 -0.006 20 0 FBADHN O=C(N[C@@H]1[C@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001025815052 658643192 /nfs/dbraw/zinc/64/31/92/658643192.db2.gz IEGJGRVFHOJLIU-RRGRKSGHSA-N 0 3 364.471 -0.006 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001025818495 658642599 /nfs/dbraw/zinc/64/25/99/658642599.db2.gz YLWQHXHJTYXGJQ-UUAFKZMDSA-N 0 3 350.463 -0.581 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001025818496 658642401 /nfs/dbraw/zinc/64/24/01/658642401.db2.gz YLWQHXHJTYXGJQ-ZZIDHEKVSA-N 0 3 350.463 -0.581 20 0 FBADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001025819997 658644546 /nfs/dbraw/zinc/64/45/46/658644546.db2.gz QDVXGONYPNBDGW-FAFNCHIJSA-N 0 3 363.336 -0.732 20 0 FBADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001025819998 658644248 /nfs/dbraw/zinc/64/42/48/658644248.db2.gz QDVXGONYPNBDGW-OWSRUXPGSA-N 0 3 363.336 -0.732 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001026054122 658651522 /nfs/dbraw/zinc/65/15/22/658651522.db2.gz JUJXZIRAJKOWNK-GTLGIVGDSA-N 0 3 351.447 -0.559 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC001026054239 658651217 /nfs/dbraw/zinc/65/12/17/658651217.db2.gz YWXFDHXMODFAKX-IBPCWRJOSA-N 0 3 371.503 -0.261 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC001026054240 658651432 /nfs/dbraw/zinc/65/14/32/658651432.db2.gz YWXFDHXMODFAKX-ODICJLLRSA-N 0 3 371.503 -0.261 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@H](O)CN4CCCC4=O)C[C@H]32)O1 ZINC001026058530 658651333 /nfs/dbraw/zinc/65/13/33/658651333.db2.gz HPHOWKOVCDOEAS-BMNMPBFRSA-N 0 3 351.447 -0.416 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@H]4CCN(S(C)(=O)=O)C4)C[C@H]32)O1 ZINC001026058645 658651967 /nfs/dbraw/zinc/65/19/67/658651967.db2.gz QGBMMVZXPNCPRZ-FWXGHANASA-N 0 3 371.503 -0.118 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C[C@@H]4CCN(S(C)(=O)=O)C4)C[C@H]32)O1 ZINC001026058646 658651727 /nfs/dbraw/zinc/65/17/27/658651727.db2.gz QGBMMVZXPNCPRZ-TWHJKIGZSA-N 0 3 371.503 -0.118 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC2CCC(NCc3nnnn3C)CC2)O1 ZINC001026514850 658683511 /nfs/dbraw/zinc/68/35/11/658683511.db2.gz UDVPUDFINVDSHP-BLYZHGLHSA-N 0 3 351.455 -0.554 20 0 FBADHN CCn1cc(CNC[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC001026915368 658712592 /nfs/dbraw/zinc/71/25/92/658712592.db2.gz PIOCMDDOWHPMCR-IIAWOOMASA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC001026915369 658712303 /nfs/dbraw/zinc/71/23/03/658712303.db2.gz PIOCMDDOWHPMCR-IJEWVQPXSA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1ncc(CNC[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001026916964 658712269 /nfs/dbraw/zinc/71/22/69/658712269.db2.gz UCVPRMTZBHZIDW-IIAWOOMASA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1ncc(CNC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001026916965 658712571 /nfs/dbraw/zinc/71/25/71/658712571.db2.gz UCVPRMTZBHZIDW-IJEWVQPXSA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1ncnc1CNC[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001026917311 658712458 /nfs/dbraw/zinc/71/24/58/658712458.db2.gz ZMOPUVGMYHZDPR-QLFBSQMISA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1ncnc1CNC[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001026917312 658712608 /nfs/dbraw/zinc/71/26/08/658712608.db2.gz ZMOPUVGMYHZDPR-RBSFLKMASA-N 0 3 350.467 -0.045 20 0 FBADHN COc1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)on1 ZINC001027062161 658724908 /nfs/dbraw/zinc/72/49/08/658724908.db2.gz PCHWKJHEKINAKQ-KGYLQXTDSA-N 0 3 352.391 -0.346 20 0 FBADHN COc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)on1 ZINC001027062162 658724985 /nfs/dbraw/zinc/72/49/85/658724985.db2.gz PCHWKJHEKINAKQ-WCFLWFBJSA-N 0 3 352.391 -0.346 20 0 FBADHN CS(=O)(=O)c1ccc(CNC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)o1 ZINC001027068510 658725031 /nfs/dbraw/zinc/72/50/31/658725031.db2.gz WFCQMSPZPOTRBA-RTXFEEFZSA-N 0 3 369.443 -0.257 20 0 FBADHN CS(=O)(=O)c1ccc(CNC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)o1 ZINC001027068511 658724854 /nfs/dbraw/zinc/72/48/54/658724854.db2.gz WFCQMSPZPOTRBA-UHTWSYAYSA-N 0 3 369.443 -0.257 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001027417073 658783272 /nfs/dbraw/zinc/78/32/72/658783272.db2.gz UDNSVWJSWIHIPL-HZSPNIEDSA-N 0 3 350.467 -0.129 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001027417073 658783268 /nfs/dbraw/zinc/78/32/68/658783268.db2.gz UDNSVWJSWIHIPL-HZSPNIEDSA-N 0 3 350.467 -0.129 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001027417074 658783228 /nfs/dbraw/zinc/78/32/28/658783228.db2.gz UDNSVWJSWIHIPL-MGPQQGTHSA-N 0 3 350.467 -0.129 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001027417074 658783226 /nfs/dbraw/zinc/78/32/26/658783226.db2.gz UDNSVWJSWIHIPL-MGPQQGTHSA-N 0 3 350.467 -0.129 20 0 FBADHN CN(CCN1C(=O)CNC1=O)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001027418805 658785750 /nfs/dbraw/zinc/78/57/50/658785750.db2.gz CMFPKMDRNSIACF-AHIWAGSCSA-N 0 3 350.419 -0.503 20 0 FBADHN CN(CCN1C(=O)CNC1=O)[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001027418807 658785772 /nfs/dbraw/zinc/78/57/72/658785772.db2.gz CMFPKMDRNSIACF-DCGLDWPTSA-N 0 3 350.419 -0.503 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H](N(C)CCN2CCNC2=O)C1 ZINC001027450788 658792727 /nfs/dbraw/zinc/79/27/27/658792727.db2.gz 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CN(CCN1C(=O)CCC1=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027576929 658809179 /nfs/dbraw/zinc/80/91/79/658809179.db2.gz ADFWDHSERAPJJE-UPJWGTAASA-N 0 3 350.419 -0.820 20 0 FBADHN CN(CCN1C(=O)CCC1=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027576930 658809334 /nfs/dbraw/zinc/80/93/34/658809334.db2.gz ADFWDHSERAPJJE-XQQFMLRXSA-N 0 3 350.419 -0.820 20 0 FBADHN CN(CC1CCS(=O)(=O)CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027579681 658810425 /nfs/dbraw/zinc/81/04/25/658810425.db2.gz NNWKLJKIQXJCKC-KFWWJZLASA-N 0 3 371.503 -0.145 20 0 FBADHN CN(CC1CCS(=O)(=O)CC1)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027579682 658810562 /nfs/dbraw/zinc/81/05/62/658810562.db2.gz NNWKLJKIQXJCKC-ZNMIVQPWSA-N 0 3 371.503 -0.145 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC001027580997 658810653 /nfs/dbraw/zinc/81/06/53/658810653.db2.gz RRJHRJWNRBWHBA-IPYPFGDCSA-N 0 3 352.435 -0.114 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC001027580999 658810900 /nfs/dbraw/zinc/81/09/00/658810900.db2.gz RRJHRJWNRBWHBA-NFAWXSAZSA-N 0 3 352.435 -0.114 20 0 FBADHN O=C(NC[C@H]1CCCN1CCCN1C(=O)CNC1=O)[C@]12C[C@H]1COC2 ZINC001027897314 658849437 /nfs/dbraw/zinc/84/94/37/658849437.db2.gz KOLVAYSIPHQFMB-AHIWAGSCSA-N 0 3 350.419 -0.455 20 0 FBADHN O=C(NC[C@@H]1CCCN1CCCN1C(=O)CNC1=O)[C@]12C[C@H]1COC2 ZINC001027897315 658849181 /nfs/dbraw/zinc/84/91/81/658849181.db2.gz KOLVAYSIPHQFMB-DCGLDWPTSA-N 0 3 350.419 -0.455 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCN2CCN2CCCC2=O)O1 ZINC001027965382 658856882 /nfs/dbraw/zinc/85/68/82/658856882.db2.gz ALBATJXMXVVCTA-BZUAXINKSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCN2CCN2CCCC2=O)O1 ZINC001027965383 658856487 /nfs/dbraw/zinc/85/64/87/658856487.db2.gz ALBATJXMXVVCTA-OWCLPIDISA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCCN2CCN2CCNC2=O)O1 ZINC001027966234 658856640 /nfs/dbraw/zinc/85/66/40/658856640.db2.gz MHKZRQFXVNWDAK-QLFBSQMISA-N 0 3 353.467 -0.689 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCCN2CCN2CCNC2=O)O1 ZINC001027966235 658856277 /nfs/dbraw/zinc/85/62/77/658856277.db2.gz MHKZRQFXVNWDAK-RBSFLKMASA-N 0 3 353.467 -0.689 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCN1CCCN1C(=O)CNC1=O ZINC001028146116 658895476 /nfs/dbraw/zinc/89/54/76/658895476.db2.gz WEYKBMPJNZHTDI-IPYPFGDCSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCN1CCCN1C(=O)CNC1=O ZINC001028146117 658895930 /nfs/dbraw/zinc/89/59/30/658895930.db2.gz WEYKBMPJNZHTDI-NFAWXSAZSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028546353 658927382 /nfs/dbraw/zinc/92/73/82/658927382.db2.gz SRNDPCGLBDHGJG-HZSPNIEDSA-N 0 3 351.451 -0.636 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028546354 658927468 /nfs/dbraw/zinc/92/74/68/658927468.db2.gz SRNDPCGLBDHGJG-MGPQQGTHSA-N 0 3 351.451 -0.636 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001028550517 658927431 /nfs/dbraw/zinc/92/74/31/658927431.db2.gz BSSWIWJUVBEBMR-HZSPNIEDSA-N 0 3 350.467 -0.223 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001028550517 658927430 /nfs/dbraw/zinc/92/74/30/658927430.db2.gz BSSWIWJUVBEBMR-HZSPNIEDSA-N 0 3 350.467 -0.223 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001028550519 658927289 /nfs/dbraw/zinc/92/72/89/658927289.db2.gz BSSWIWJUVBEBMR-MELADBBJSA-N 0 3 350.467 -0.223 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001028550519 658927285 /nfs/dbraw/zinc/92/72/85/658927285.db2.gz BSSWIWJUVBEBMR-MELADBBJSA-N 0 3 350.467 -0.223 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC001028604071 658941353 /nfs/dbraw/zinc/94/13/53/658941353.db2.gz PWFSMKAVHGZXPC-XEZPLFJOSA-N 0 3 353.419 -0.623 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC001028604072 658941319 /nfs/dbraw/zinc/94/13/19/658941319.db2.gz PWFSMKAVHGZXPC-ZENOOKHLSA-N 0 3 353.419 -0.623 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001028607328 658941795 /nfs/dbraw/zinc/94/17/95/658941795.db2.gz PAXYZMWIJCRCCI-GUTXKFCHSA-N 0 3 352.435 -0.209 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001028607329 658941668 /nfs/dbraw/zinc/94/16/68/658941668.db2.gz PAXYZMWIJCRCCI-NFAWXSAZSA-N 0 3 352.435 -0.209 20 0 FBADHN CCn1nncc1CN1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028625930 658941784 /nfs/dbraw/zinc/94/17/84/658941784.db2.gz ANGPHDOYSGWJBF-IIAWOOMASA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1nncc1CN1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028625931 658941695 /nfs/dbraw/zinc/94/16/95/658941695.db2.gz ANGPHDOYSGWJBF-IJEWVQPXSA-N 0 3 350.467 -0.045 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCN(CC(=O)N(C)C3CC3)C2)O1 ZINC001028629469 658942348 /nfs/dbraw/zinc/94/23/48/658942348.db2.gz NAGULPGETLVQKC-IIAWOOMASA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCN(CC(=O)N(C)C3CC3)C2)O1 ZINC001028629470 658942301 /nfs/dbraw/zinc/94/23/01/658942301.db2.gz NAGULPGETLVQKC-IJEWVQPXSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCN(CC(=O)N3CCCC3)C2)O1 ZINC001028629844 658942329 /nfs/dbraw/zinc/94/23/29/658942329.db2.gz UMTQDRIOHVFRHR-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCN(CC(=O)N3CCCC3)C2)O1 ZINC001028629845 658942149 /nfs/dbraw/zinc/94/21/49/658942149.db2.gz UMTQDRIOHVFRHR-OWCLPIDISA-N 0 3 352.479 -0.234 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001028705600 658953929 /nfs/dbraw/zinc/95/39/29/658953929.db2.gz DLLXEMOYOUJXJK-MCIONIFRSA-N 0 3 352.435 -0.209 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001028705601 658953698 /nfs/dbraw/zinc/95/36/98/658953698.db2.gz DLLXEMOYOUJXJK-MJBXVCDLSA-N 0 3 352.435 -0.209 20 0 FBADHN Cc1csc(=O)n1CCN1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028805842 658966133 /nfs/dbraw/zinc/96/61/33/658966133.db2.gz UJADJDDCTFTZRN-UPJWGTAASA-N 0 3 352.460 -0.222 20 0 FBADHN Cc1csc(=O)n1CCN1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028805843 658966816 /nfs/dbraw/zinc/96/68/16/658966816.db2.gz UJADJDDCTFTZRN-XQQFMLRXSA-N 0 3 352.460 -0.222 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCN(CCN2CCNC2=O)C1 ZINC001028806631 658966845 /nfs/dbraw/zinc/96/68/45/658966845.db2.gz NDEDKRDSSBCANE-HZSPNIEDSA-N 0 3 351.451 -0.826 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(CCN2CCNC2=O)C1 ZINC001028806632 658966941 /nfs/dbraw/zinc/96/69/41/658966941.db2.gz NDEDKRDSSBCANE-MELADBBJSA-N 0 3 351.451 -0.826 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028806962 658966831 /nfs/dbraw/zinc/96/68/31/658966831.db2.gz UUZXZYOFAPHDNM-MCIONIFRSA-N 0 3 351.451 -0.649 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028806963 658966528 /nfs/dbraw/zinc/96/65/28/658966528.db2.gz UUZXZYOFAPHDNM-MJBXVCDLSA-N 0 3 351.451 -0.649 20 0 FBADHN O=C(NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028817683 658967387 /nfs/dbraw/zinc/96/73/87/658967387.db2.gz DIGQNEQWJJQOAW-DGAVXFQQSA-N 0 3 350.419 -0.456 20 0 FBADHN O=C(NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028817684 658968351 /nfs/dbraw/zinc/96/83/51/658968351.db2.gz DIGQNEQWJJQOAW-SYQHCUMBSA-N 0 3 350.419 -0.456 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCCNC2=O)O1 ZINC001029356208 659012588 /nfs/dbraw/zinc/01/25/88/659012588.db2.gz FCKXVCLOBCIYKH-IBEHDNSVSA-N 0 3 350.463 -0.341 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCCNC2=O)O1 ZINC001029356209 659012101 /nfs/dbraw/zinc/01/21/01/659012101.db2.gz FCKXVCLOBCIYKH-RBGFHDKUSA-N 0 3 350.463 -0.341 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCN(C)C2=O)O1 ZINC001029356323 659012337 /nfs/dbraw/zinc/01/23/37/659012337.db2.gz JVNJERIADFAXDV-IBEHDNSVSA-N 0 3 350.463 -0.389 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCN(C)C2=O)O1 ZINC001029356324 659012452 /nfs/dbraw/zinc/01/24/52/659012452.db2.gz JVNJERIADFAXDV-RBGFHDKUSA-N 0 3 350.463 -0.389 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001029742052 659882072 /nfs/dbraw/zinc/88/20/72/659882072.db2.gz JRXDVKIEJVMZHS-HZSPNIEDSA-N 0 3 350.467 -0.271 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001029742052 659882070 /nfs/dbraw/zinc/88/20/70/659882070.db2.gz JRXDVKIEJVMZHS-HZSPNIEDSA-N 0 3 350.467 -0.271 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001029742053 659882164 /nfs/dbraw/zinc/88/21/64/659882164.db2.gz JRXDVKIEJVMZHS-MGPQQGTHSA-N 0 3 350.467 -0.271 20 0 FBADHN C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001029742053 659882159 /nfs/dbraw/zinc/88/21/59/659882159.db2.gz JRXDVKIEJVMZHS-MGPQQGTHSA-N 0 3 350.467 -0.271 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](CN(C)Cc3cnnn3C)C2)O1 ZINC001029766773 659883103 /nfs/dbraw/zinc/88/31/03/659883103.db2.gz GGZDOSHFJVZLMC-IIAWOOMASA-N 0 3 350.467 -0.186 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cnnn3C)C2)O1 ZINC001029766775 659883452 /nfs/dbraw/zinc/88/34/52/659883452.db2.gz GGZDOSHFJVZLMC-IJEWVQPXSA-N 0 3 350.467 -0.186 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC(CN(C)[C@@H]3CCNC3=O)CC2)C1 ZINC001029966342 659908328 /nfs/dbraw/zinc/90/83/28/659908328.db2.gz QXPZSFINWIHFPU-BPLDGKMQSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC(CN(C)[C@H]3CCNC3=O)CC2)C1 ZINC001029966343 659908384 /nfs/dbraw/zinc/90/83/84/659908384.db2.gz QXPZSFINWIHFPU-YUELXQCFSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(CN(C)[C@@H]3CCNC3=O)CC2)O1 ZINC001029973478 659909269 /nfs/dbraw/zinc/90/92/69/659909269.db2.gz DIIDOCGGTGGKPO-FVQBIDKESA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(CN(C)[C@H]3CCNC3=O)CC2)O1 ZINC001029973479 659909423 /nfs/dbraw/zinc/90/94/23/659909423.db2.gz DIIDOCGGTGGKPO-VNQPRFMTSA-N 0 3 352.479 -0.236 20 0 FBADHN CN(CC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1)[C@@H]1CCNC1=O ZINC001029995554 659919851 /nfs/dbraw/zinc/91/98/51/659919851.db2.gz POBSVGPKEZQNSR-HZSPNIEDSA-N 0 3 352.435 -0.922 20 0 FBADHN CN(CC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1)[C@H]1CCNC1=O ZINC001029995555 659919798 /nfs/dbraw/zinc/91/97/98/659919798.db2.gz POBSVGPKEZQNSR-MELADBBJSA-N 0 3 352.435 -0.922 20 0 FBADHN CCN1CC[C@H](N(C)CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O ZINC001029995591 659920105 /nfs/dbraw/zinc/92/01/05/659920105.db2.gz RBKFGRGLFULFOE-ILXRZTDVSA-N 0 3 350.463 -0.101 20 0 FBADHN CCN1CC[C@@H](N(C)CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O ZINC001029995592 659920152 /nfs/dbraw/zinc/92/01/52/659920152.db2.gz RBKFGRGLFULFOE-QLFBSQMISA-N 0 3 350.463 -0.101 20 0 FBADHN CN(C[C@H]1CCS(=O)(=O)C1)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001029995749 659920100 /nfs/dbraw/zinc/92/01/00/659920100.db2.gz XCUZDDNHMKQJPR-KFWWJZLASA-N 0 3 371.503 -0.287 20 0 FBADHN CN(C[C@@H]1CCS(=O)(=O)C1)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001029995750 659920095 /nfs/dbraw/zinc/92/00/95/659920095.db2.gz XCUZDDNHMKQJPR-ZNMIVQPWSA-N 0 3 371.503 -0.287 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)[C@H]2CCNC2=O)CC1 ZINC001029996582 659920080 /nfs/dbraw/zinc/92/00/80/659920080.db2.gz CYPATJHJFNZWQS-ILXRZTDVSA-N 0 3 350.463 -0.230 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)[C@@H]2CCNC2=O)CC1 ZINC001029996583 659919994 /nfs/dbraw/zinc/91/99/94/659919994.db2.gz CYPATJHJFNZWQS-QLFBSQMISA-N 0 3 350.463 -0.230 20 0 FBADHN CN(CC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1)[C@H]1CCNC1=O ZINC001029996881 659920057 /nfs/dbraw/zinc/92/00/57/659920057.db2.gz QMGWCSBCVAYILR-ILXRZTDVSA-N 0 3 350.463 -0.053 20 0 FBADHN CN(CC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1)[C@@H]1CCNC1=O ZINC001029996882 659919981 /nfs/dbraw/zinc/91/99/81/659919981.db2.gz QMGWCSBCVAYILR-QLFBSQMISA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC2CN(CCCN3CCCC3=O)C2)O1 ZINC001031763665 660225392 /nfs/dbraw/zinc/22/53/92/660225392.db2.gz GHJJIKOGDYDGBG-GDBMZVCRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC2CN(C[C@@H](O)Cn3cccn3)C2)O1 ZINC001031763904 660225387 /nfs/dbraw/zinc/22/53/87/660225387.db2.gz NDPKKCQLCYTRFE-FVQBIDKESA-N 0 3 351.451 -0.989 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)O1 ZINC001031763905 660225411 /nfs/dbraw/zinc/22/54/11/660225411.db2.gz NDPKKCQLCYTRFE-VNQPRFMTSA-N 0 3 351.451 -0.989 20 0 FBADHN Cc1nc(C)n(CCN2CC(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001031765823 660225671 /nfs/dbraw/zinc/22/56/71/660225671.db2.gz QSFYQUQRGHTLLJ-MLGOLLRUSA-N 0 3 350.467 -0.338 20 0 FBADHN CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001031869403 660236755 /nfs/dbraw/zinc/23/67/55/660236755.db2.gz UVCZIKKZPWKRIC-OIISXLGYSA-N 0 3 355.479 -0.051 20 0 FBADHN CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001031869421 660236775 /nfs/dbraw/zinc/23/67/75/660236775.db2.gz UVCZIKKZPWKRIC-UAGQMJEPSA-N 0 3 355.479 -0.051 20 0 FBADHN COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001031869839 660236764 /nfs/dbraw/zinc/23/67/64/660236764.db2.gz ZNDHPAMHEYZMBH-OIISXLGYSA-N 0 3 355.479 -0.051 20 0 FBADHN COC[C@H](C)N1CC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001031869841 660236686 /nfs/dbraw/zinc/23/66/86/660236686.db2.gz ZNDHPAMHEYZMBH-UAGQMJEPSA-N 0 3 355.479 -0.051 20 0 FBADHN CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033093328 660468753 /nfs/dbraw/zinc/46/87/53/660468753.db2.gz JWNKPLXQQWKZRV-AHIWAGSCSA-N 0 3 350.419 -0.503 20 0 FBADHN CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033093329 660468808 /nfs/dbraw/zinc/46/88/08/660468808.db2.gz JWNKPLXQQWKZRV-DCGLDWPTSA-N 0 3 350.419 -0.503 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CCN(CCN3CCCC3=O)C2)O1 ZINC001033185273 660479265 /nfs/dbraw/zinc/47/92/65/660479265.db2.gz MUTFNHPOEBEPPK-BZUAXINKSA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CCN(CCN3CCCC3=O)C2)O1 ZINC001033185274 660479287 /nfs/dbraw/zinc/47/92/87/660479287.db2.gz MUTFNHPOEBEPPK-OWCLPIDISA-N 0 3 352.479 -0.139 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CCN(CCN3CCNC3=O)C2)O1 ZINC001033198027 660479706 /nfs/dbraw/zinc/47/97/06/660479706.db2.gz UTYPPCDQGLALIL-QLFBSQMISA-N 0 3 353.467 -0.737 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CCN(CCN3CCNC3=O)C2)O1 ZINC001033198031 660479570 /nfs/dbraw/zinc/47/95/70/660479570.db2.gz UTYPPCDQGLALIL-RBSFLKMASA-N 0 3 353.467 -0.737 20 0 FBADHN CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H]1CCN(CCCO)C1 ZINC001033291429 660488594 /nfs/dbraw/zinc/48/85/94/660488594.db2.gz NEVSSHRVFPYVCN-BBWFWOEESA-N 0 3 355.479 -0.219 20 0 FBADHN CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@@H]1CCN(CCCO)C1 ZINC001033291430 660488608 /nfs/dbraw/zinc/48/86/08/660488608.db2.gz NEVSSHRVFPYVCN-ZACQAIPSSA-N 0 3 355.479 -0.219 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033438535 660492042 /nfs/dbraw/zinc/49/20/42/660492042.db2.gz RHXDMVNQZOEXMK-IPYPFGDCSA-N 0 3 352.435 -0.114 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033438540 660491984 /nfs/dbraw/zinc/49/19/84/660491984.db2.gz RHXDMVNQZOEXMK-NFAWXSAZSA-N 0 3 352.435 -0.114 20 0 FBADHN CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@@H]1CCN(CCn2cncn2)C1 ZINC001033869964 660493694 /nfs/dbraw/zinc/49/36/94/660493694.db2.gz XIJSWUYSSGKIPI-BZUAXINKSA-N 0 3 350.467 -0.080 20 0 FBADHN CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)[C@H]1CCN(CCn2cncn2)C1 ZINC001033869965 660493756 /nfs/dbraw/zinc/49/37/56/660493756.db2.gz XIJSWUYSSGKIPI-OWCLPIDISA-N 0 3 350.467 -0.080 20 0 FBADHN CCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@H]1CCN(CCO)C1 ZINC001033908774 660494082 /nfs/dbraw/zinc/49/40/82/660494082.db2.gz HCPQSVDARATFBF-BBWFWOEESA-N 0 3 355.479 -0.219 20 0 FBADHN CCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[C@@H]1CCN(CCO)C1 ZINC001033908775 660494126 /nfs/dbraw/zinc/49/41/26/660494126.db2.gz HCPQSVDARATFBF-ZACQAIPSSA-N 0 3 355.479 -0.219 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCCN(CCn3cncn3)C2)O1 ZINC001034270675 660496268 /nfs/dbraw/zinc/49/62/68/660496268.db2.gz CNBXNBHRHKNMRP-BZUAXINKSA-N 0 3 350.467 -0.032 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCCCN(CCn3cncn3)C2)O1 ZINC001034270676 660496403 /nfs/dbraw/zinc/49/64/03/660496403.db2.gz CNBXNBHRHKNMRP-OWCLPIDISA-N 0 3 350.467 -0.032 20 0 FBADHN O=C(N[C@H]1CCCCN(CCO)C1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001034322021 660497699 /nfs/dbraw/zinc/49/76/99/660497699.db2.gz DXSATLXJYZZNTQ-BBWFWOEESA-N 0 3 355.479 -0.171 20 0 FBADHN O=C(N[C@@H]1CCCCN(CCO)C1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001034322022 660497838 /nfs/dbraw/zinc/49/78/38/660497838.db2.gz DXSATLXJYZZNTQ-ZACQAIPSSA-N 0 3 355.479 -0.171 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[C@H](NCc3nnnn3C)CC2)O1 ZINC001034675956 660499919 /nfs/dbraw/zinc/49/99/19/660499919.db2.gz UDVPUDFINVDSHP-AAVRWANBSA-N 0 3 351.455 -0.554 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001034939566 660501973 /nfs/dbraw/zinc/50/19/73/660501973.db2.gz COPGTDHLRVWTLU-IJLUTSLNSA-N 0 3 350.423 -0.896 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2nc(=O)n(C)[n-]2)CC[N@H+]1C ZINC001034941207 660502058 /nfs/dbraw/zinc/50/20/58/660502058.db2.gz MJQOHJHVKOPXJZ-HZSPNIEDSA-N 0 3 350.467 -0.081 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2nc(=O)n(C)[n-]2)CC[N@@H+]1C ZINC001034941207 660502057 /nfs/dbraw/zinc/50/20/57/660502057.db2.gz MJQOHJHVKOPXJZ-HZSPNIEDSA-N 0 3 350.467 -0.081 20 0 FBADHN Cn1[n-]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)C2)nc1=O ZINC001035051052 660502457 /nfs/dbraw/zinc/50/24/57/660502457.db2.gz IOPUMBIZHKGLKZ-GRYCIOLGSA-N 0 3 350.423 -0.909 20 0 FBADHN CNC(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CC2 ZINC001035186325 660502985 /nfs/dbraw/zinc/50/29/85/660502985.db2.gz AEIUJYHSWVJNLX-ZIAGYGMSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCC2(CCN([C@H]3CCNC3=O)C2)CC1 ZINC001035194812 660502899 /nfs/dbraw/zinc/50/28/99/660502899.db2.gz FQZLQYKGVUGOKO-KKUMJFAQSA-N 0 3 351.447 -0.007 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCC2(CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001035194813 660502946 /nfs/dbraw/zinc/50/29/46/660502946.db2.gz FQZLQYKGVUGOKO-ZNMIVQPWSA-N 0 3 351.447 -0.007 20 0 FBADHN CNC(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CC2 ZINC001035196905 660502801 /nfs/dbraw/zinc/50/28/01/660502801.db2.gz GTXHYLOPYSWQNS-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CC2 ZINC001035197982 660502842 /nfs/dbraw/zinc/50/28/42/660502842.db2.gz YKDKJMGTXKZZKY-QLFBSQMISA-N 0 3 352.479 -0.106 20 0 FBADHN C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CC2 ZINC001035197983 660502916 /nfs/dbraw/zinc/50/29/16/660502916.db2.gz YKDKJMGTXKZZKY-RBSFLKMASA-N 0 3 352.479 -0.106 20 0 FBADHN C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC2 ZINC001035223882 660502894 /nfs/dbraw/zinc/50/28/94/660502894.db2.gz DTCVUIZATUDVOF-FRRDWIJNSA-N 0 3 352.435 -0.792 20 0 FBADHN C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC2 ZINC001035223884 660502995 /nfs/dbraw/zinc/50/29/95/660502995.db2.gz DTCVUIZATUDVOF-RWMBFGLXSA-N 0 3 352.435 -0.792 20 0 FBADHN CNC(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC2 ZINC001035224796 660502960 /nfs/dbraw/zinc/50/29/60/660502960.db2.gz NJMADLDIGCBCTL-QWHCGFSZSA-N 0 3 352.435 -0.920 20 0 FBADHN CNC(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CC2 ZINC001035227687 660502825 /nfs/dbraw/zinc/50/28/25/660502825.db2.gz VUMXFJIQINQDPI-KGLIPLIRSA-N 0 3 350.463 -0.229 20 0 FBADHN C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CC2 ZINC001035228405 660502765 /nfs/dbraw/zinc/50/27/65/660502765.db2.gz MOUZHBPGFCKXTQ-MCIONIFRSA-N 0 3 350.463 -0.101 20 0 FBADHN C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CC2 ZINC001035228406 660502855 /nfs/dbraw/zinc/50/28/55/660502855.db2.gz MOUZHBPGFCKXTQ-MJBXVCDLSA-N 0 3 350.463 -0.101 20 0 FBADHN CNC(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CC2 ZINC001035228413 660502953 /nfs/dbraw/zinc/50/29/53/660502953.db2.gz MXHPBBDWBXFRHA-KGLIPLIRSA-N 0 3 350.463 -0.052 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CN(CC3CCOCC3)CCO2)O1 ZINC001035414943 660504937 /nfs/dbraw/zinc/50/49/37/660504937.db2.gz DXRCBHIDAOOZJC-DJIMGWMZSA-N 0 3 355.479 -0.051 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CN(CC3CCOCC3)CCO2)O1 ZINC001035414944 660504956 /nfs/dbraw/zinc/50/49/56/660504956.db2.gz DXRCBHIDAOOZJC-HYVNUMGLSA-N 0 3 355.479 -0.051 20 0 FBADHN Cc1nc(CN2CCO[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n[nH]1 ZINC001035425623 660504469 /nfs/dbraw/zinc/50/44/69/660504469.db2.gz UWHARGVDJKMHJA-KWCYVHTRSA-N 0 3 352.439 -0.851 20 0 FBADHN Cc1nc(CN2CCO[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n[nH]1 ZINC001035425628 660504503 /nfs/dbraw/zinc/50/45/03/660504503.db2.gz UWHARGVDJKMHJA-MRVWCRGKSA-N 0 3 352.439 -0.851 20 0 FBADHN C[C@@H](O)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2 ZINC001035793050 660508582 /nfs/dbraw/zinc/50/85/82/660508582.db2.gz JDKRNFAAWBGUQW-QLFBSQMISA-N 0 3 353.463 -0.073 20 0 FBADHN C[C@H](O)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2 ZINC001035793051 660508555 /nfs/dbraw/zinc/50/85/55/660508555.db2.gz JDKRNFAAWBGUQW-SOUVJXGZSA-N 0 3 353.463 -0.073 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCC3(CN(CCCO)C3)CC2)O1 ZINC001035793249 660508571 /nfs/dbraw/zinc/50/85/71/660508571.db2.gz PYLRVCNTNPEDQY-LSDHHAIUSA-N 0 3 353.463 -0.071 20 0 FBADHN CN(CCC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1)[C@H]1CCN(C)C1=O ZINC001036603515 660509010 /nfs/dbraw/zinc/50/90/10/660509010.db2.gz MEBWGIMIBVXPNY-ILXRZTDVSA-N 0 3 350.463 -0.101 20 0 FBADHN 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662429130 /nfs/dbraw/zinc/42/91/30/662429130.db2.gz JJSPLDLJWKGJOP-OAGGEKHMSA-N 0 3 353.463 -0.025 20 0 FBADHN C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)c2cnc[n-]c2=O)CC[N@H+]1C ZINC001057926678 662430155 /nfs/dbraw/zinc/43/01/55/662430155.db2.gz HDEXGSWRDXKLEN-VXGBXAGGSA-N 0 3 351.407 -0.927 20 0 FBADHN C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)c2cnc[n-]c2=O)CC[N@@H+]1C ZINC001057926678 662430151 /nfs/dbraw/zinc/43/01/51/662430151.db2.gz HDEXGSWRDXKLEN-VXGBXAGGSA-N 0 3 351.407 -0.927 20 0 FBADHN CCN(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001057942795 662430075 /nfs/dbraw/zinc/43/00/75/662430075.db2.gz VCMDGCQKVDLNPJ-KBPBESRZSA-N 0 3 359.467 -0.542 20 0 FBADHN Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)[C@H]1OCCO[C@H]1C ZINC001057963505 662431015 /nfs/dbraw/zinc/43/10/15/662431015.db2.gz XFGDTVWISALUFT-WFASDCNBSA-N 0 3 354.407 -0.998 20 0 FBADHN CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1OCCO[C@H]1C)N(C)C ZINC001057963547 662431500 /nfs/dbraw/zinc/43/15/00/662431500.db2.gz ZHLZDPGBKIPIOM-KKUMJFAQSA-N 0 3 359.467 -0.686 20 0 FBADHN CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1OCCO[C@H]1C)N(C)C ZINC001057963548 662431551 /nfs/dbraw/zinc/43/15/51/662431551.db2.gz ZHLZDPGBKIPIOM-ZNMIVQPWSA-N 0 3 359.467 -0.686 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N(CCO)CCNC(=O)C1(N(C)C)CCC1 ZINC001057964184 662431495 /nfs/dbraw/zinc/43/14/95/662431495.db2.gz FBMFYSQPUYMXMM-KBPBESRZSA-N 0 3 357.451 -0.788 20 0 FBADHN C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001057964370 662431518 /nfs/dbraw/zinc/43/15/18/662431518.db2.gz MGZMRCVQJXROCH-DZKIICNBSA-N 0 3 357.451 -0.931 20 0 FBADHN C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001057964371 662431570 /nfs/dbraw/zinc/43/15/70/662431570.db2.gz MGZMRCVQJXROCH-YCPHGPKFSA-N 0 3 357.451 -0.931 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001057964552 662431543 /nfs/dbraw/zinc/43/15/43/662431543.db2.gz VUBSTEPQDGJXNN-CFVMTHIKSA-N 0 3 357.451 -0.932 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)N(C)C ZINC001057964553 662431447 /nfs/dbraw/zinc/43/14/47/662431447.db2.gz VUBSTEPQDGJXNN-QEJZJMRPSA-N 0 3 357.451 -0.932 20 0 FBADHN C[C@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@H]1OCCO[C@H]1C ZINC001057964643 662431872 /nfs/dbraw/zinc/43/18/72/662431872.db2.gz ZAKXLRYSHCXTPI-DZKIICNBSA-N 0 3 357.451 -0.788 20 0 FBADHN C[C@@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@H]1OCCO[C@H]1C ZINC001057964644 662431892 /nfs/dbraw/zinc/43/18/92/662431892.db2.gz ZAKXLRYSHCXTPI-YCPHGPKFSA-N 0 3 357.451 -0.788 20 0 FBADHN CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1OCCO[C@H]1C ZINC001057965689 662432205 /nfs/dbraw/zinc/43/22/05/662432205.db2.gz ZGUZIQFPOHKHOV-KBPBESRZSA-N 0 3 359.467 -0.542 20 0 FBADHN CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001057969664 662432896 /nfs/dbraw/zinc/43/28/96/662432896.db2.gz FOLYXLBFGUODIM-ZIAGYGMSSA-N 0 3 351.451 -0.208 20 0 FBADHN CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001057969675 662432772 /nfs/dbraw/zinc/43/27/72/662432772.db2.gz GDCQRCHWGVWSET-ZIAGYGMSSA-N 0 3 351.451 -0.210 20 0 FBADHN CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)N(C)C ZINC001057969697 662432922 /nfs/dbraw/zinc/43/29/22/662432922.db2.gz GWAXHTDELGOYKZ-NFAWXSAZSA-N 0 3 351.451 -0.210 20 0 FBADHN CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)N(C)C ZINC001057970734 662433101 /nfs/dbraw/zinc/43/31/01/662433101.db2.gz GWAXHTDELGOYKZ-UMVBOHGHSA-N 0 3 351.451 -0.210 20 0 FBADHN CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001057970847 662433305 /nfs/dbraw/zinc/43/33/05/662433305.db2.gz KVNKJZKPQVYWGJ-ZIAGYGMSSA-N 0 3 351.451 -0.208 20 0 FBADHN CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)N(C)C ZINC001057975211 662434778 /nfs/dbraw/zinc/43/47/78/662434778.db2.gz KKQQGXSGXWKOSU-MGPQQGTHSA-N 0 3 356.467 -0.822 20 0 FBADHN CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)N(C)C ZINC001057975228 662434662 /nfs/dbraw/zinc/43/46/62/662434662.db2.gz KYSLRRYZJOCKSF-UMVBOHGHSA-N 0 3 351.451 -0.210 20 0 FBADHN 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842195016 /nfs/dbraw/zinc/19/50/16/842195016.db2.gz RQECLHYBZVGEMR-MGPQQGTHSA-N 0 3 350.467 -0.072 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905991 842201342 /nfs/dbraw/zinc/20/13/42/842201342.db2.gz ZWZZCTYHSIDITE-OWCLPIDISA-N 0 3 350.467 -0.004 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905992 842201833 /nfs/dbraw/zinc/20/18/33/842201833.db2.gz ZWZZCTYHSIDITE-PMPSAXMXSA-N 0 3 350.467 -0.004 20 0 FBADHN CC[C@@H](C)CN1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069911606 842202126 /nfs/dbraw/zinc/20/21/26/842202126.db2.gz AHMPUOGOQCUHMY-OAGGEKHMSA-N 0 3 350.467 -0.002 20 0 FBADHN CC[C@H](C)CN1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069911607 842201510 /nfs/dbraw/zinc/20/15/10/842201510.db2.gz AHMPUOGOQCUHMY-XHSDSOJGSA-N 0 3 350.467 -0.002 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069911641 842201675 /nfs/dbraw/zinc/20/16/75/842201675.db2.gz CUXAUNOGMLJXAN-CVEARBPZSA-N 0 3 350.467 -0.002 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069912252 842202972 /nfs/dbraw/zinc/20/29/72/842202972.db2.gz UNOPJHNIORAMGU-OWCLPIDISA-N 0 3 350.467 -0.004 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069912253 842203533 /nfs/dbraw/zinc/20/35/33/842203533.db2.gz UNOPJHNIORAMGU-PMPSAXMXSA-N 0 3 350.467 -0.004 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001069924754 842205477 /nfs/dbraw/zinc/20/54/77/842205477.db2.gz DABCHVMNXHKXKD-OAGGEKHMSA-N 0 3 350.467 -0.125 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001069924755 842205195 /nfs/dbraw/zinc/20/51/95/842205195.db2.gz DABCHVMNXHKXKD-PMPSAXMXSA-N 0 3 350.467 -0.125 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)N1CCCCC1 ZINC001069927394 842205968 /nfs/dbraw/zinc/20/59/68/842205968.db2.gz ZAZMVHHYQUOTEA-CABCVRRESA-N 0 3 350.467 -0.124 20 0 FBADHN O=C(CN1CCCS1(=O)=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001069941885 842209502 /nfs/dbraw/zinc/20/95/02/842209502.db2.gz CDHSYZBXFQBKGU-KGLIPLIRSA-N 0 3 368.463 -0.935 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](n2ccnn2)C1 ZINC001069942111 842209294 /nfs/dbraw/zinc/20/92/94/842209294.db2.gz NKEGABOGFQHRBF-KGLIPLIRSA-N 0 3 370.479 -0.689 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](n2ccnn2)C1 ZINC001069942157 842209340 /nfs/dbraw/zinc/20/93/40/842209340.db2.gz PJPCZBRYXMIUFC-KGLIPLIRSA-N 0 3 370.479 -0.545 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001069942196 842209091 /nfs/dbraw/zinc/20/90/91/842209091.db2.gz QRDLTWFXYMUELM-OAGGEKHMSA-N 0 3 350.467 -0.124 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001069942197 842209159 /nfs/dbraw/zinc/20/91/59/842209159.db2.gz QRDLTWFXYMUELM-PMPSAXMXSA-N 0 3 350.467 -0.124 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](n2ccnn2)C1 ZINC001069947141 842211343 /nfs/dbraw/zinc/21/13/43/842211343.db2.gz MULVSYMJAKYFDN-KGLIPLIRSA-N 0 3 350.423 -0.866 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](n2ccnn2)C1 ZINC001069947320 842212265 /nfs/dbraw/zinc/21/22/65/842212265.db2.gz WUZRXPFWTMLOAK-KGLIPLIRSA-N 0 3 350.423 -0.722 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(CCCF)C[C@@H]2n2ccnn2)O1 ZINC001069958234 842212958 /nfs/dbraw/zinc/21/29/58/842212958.db2.gz CLCJZWMQXIGBKO-APIJFGDWSA-N 0 3 354.430 -0.302 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958949 842213379 /nfs/dbraw/zinc/21/33/79/842213379.db2.gz UZXUPSINSBOYPN-LVQVYYBASA-N 0 3 350.467 -0.005 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001069964229 842215395 /nfs/dbraw/zinc/21/53/95/842215395.db2.gz BFPJFTDUZHVGOP-OWCLPIDISA-N 0 3 350.467 -0.004 20 0 FBADHN CCN1CCOC[C@H]1C(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001069964230 842214517 /nfs/dbraw/zinc/21/45/17/842214517.db2.gz BFPJFTDUZHVGOP-PMPSAXMXSA-N 0 3 350.467 -0.004 20 0 FBADHN O=C(N[C@@H]1CN(CCc2ccns2)C[C@@H]1n1ccnn1)c1cn[nH]n1 ZINC001069968171 842215346 /nfs/dbraw/zinc/21/53/46/842215346.db2.gz KSCQLZZHSSSIEK-OLZOCXBDSA-N 0 3 359.419 -0.249 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1)N1CCCC1 ZINC001069996118 842222458 /nfs/dbraw/zinc/22/24/58/842222458.db2.gz QUMRJLLRFURHCV-CABCVRRESA-N 0 3 350.467 -0.124 20 0 FBADHN C[C@@H](O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996235 842222795 /nfs/dbraw/zinc/22/27/95/842222795.db2.gz XSTMZGNXAMTGJS-KFWWJZLASA-N 0 3 350.467 -0.125 20 0 FBADHN C[C@H](O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996236 842222935 /nfs/dbraw/zinc/22/29/35/842222935.db2.gz XSTMZGNXAMTGJS-ZNMIVQPWSA-N 0 3 350.467 -0.125 20 0 FBADHN COCCN1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024344 842226763 /nfs/dbraw/zinc/22/67/63/842226763.db2.gz MIWSNIKAMHZFMJ-CABCVRRESA-N 0 3 350.467 -0.002 20 0 FBADHN C[C@@H](O)CN1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024446 842226441 /nfs/dbraw/zinc/22/64/41/842226441.db2.gz QAPBGPPGKBDXNH-KFWWJZLASA-N 0 3 350.467 -0.268 20 0 FBADHN C[C@H](O)CN1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024447 842225939 /nfs/dbraw/zinc/22/59/39/842225939.db2.gz QAPBGPPGKBDXNH-ZNMIVQPWSA-N 0 3 350.467 -0.268 20 0 FBADHN CC1(C)CCN(CC(=O)N[C@@H]2CN(CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070024535 842227012 /nfs/dbraw/zinc/22/70/12/842227012.db2.gz UWCNRCKDPXITAB-CABCVRRESA-N 0 3 350.467 -0.266 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070026881 842227831 /nfs/dbraw/zinc/22/78/31/842227831.db2.gz MFJRRXNZFCMCAE-ZOBORPQBSA-N 0 3 350.423 -0.692 20 0 FBADHN CCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070027305 842227607 /nfs/dbraw/zinc/22/76/07/842227607.db2.gz YPTDVIZXSBPANJ-ZOBORPQBSA-N 0 3 350.423 -0.547 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)N1CCCCCC1 ZINC001070045799 842229076 /nfs/dbraw/zinc/22/90/76/842229076.db2.gz UXWHVXXYNAIMTK-OAGGEKHMSA-N 0 3 350.467 -0.124 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)N1CCCCCC1 ZINC001070045800 842228878 /nfs/dbraw/zinc/22/88/78/842228878.db2.gz UXWHVXXYNAIMTK-XHSDSOJGSA-N 0 3 350.467 -0.124 20 0 FBADHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001070046895 842231349 /nfs/dbraw/zinc/23/13/49/842231349.db2.gz VDGKLQIFGANNCR-OAGGEKHMSA-N 0 3 350.467 -0.125 20 0 FBADHN CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001070046896 842230802 /nfs/dbraw/zinc/23/08/02/842230802.db2.gz VDGKLQIFGANNCR-PMPSAXMXSA-N 0 3 350.467 -0.125 20 0 FBADHN O=C(N[C@@H]1CN(CCc2ccns2)C[C@@H]1n1ccnn1)c1ncn[nH]1 ZINC001070056212 842232113 /nfs/dbraw/zinc/23/21/13/842232113.db2.gz BZBAMQBDIHGUCY-NEPJUHHUSA-N 0 3 359.419 -0.249 20 0 FBADHN O=C(N[C@@H]1CN(CCc2ccns2)C[C@@H]1n1ccnn1)c1nnc[nH]1 ZINC001070056212 842232103 /nfs/dbraw/zinc/23/21/03/842232103.db2.gz BZBAMQBDIHGUCY-NEPJUHHUSA-N 0 3 359.419 -0.249 20 0 FBADHN C[C@@H](O)CN1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060097 842233166 /nfs/dbraw/zinc/23/31/66/842233166.db2.gz DBMVWHUDIDBBFF-OAGGEKHMSA-N 0 3 350.467 -0.268 20 0 FBADHN C[C@H](O)CN1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060098 842233509 /nfs/dbraw/zinc/23/35/09/842233509.db2.gz DBMVWHUDIDBBFF-XHSDSOJGSA-N 0 3 350.467 -0.268 20 0 FBADHN CC1CCN(CC(=O)N[C@@H]2CN(CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070060266 842233642 /nfs/dbraw/zinc/23/36/42/842233642.db2.gz MTCGJUFGVIHNQS-CVEARBPZSA-N 0 3 350.467 -0.266 20 0 FBADHN COCCN1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060480 842233748 /nfs/dbraw/zinc/23/37/48/842233748.db2.gz ZBVPFSGGPCBEHP-CVEARBPZSA-N 0 3 350.467 -0.002 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCS(=O)(=O)N1 ZINC001070098593 842239358 /nfs/dbraw/zinc/23/93/58/842239358.db2.gz ICKPBNRVOPJQRC-MCIONIFRSA-N 0 3 368.463 -0.889 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCS(=O)(=O)N1 ZINC001070098594 842238386 /nfs/dbraw/zinc/23/83/86/842238386.db2.gz ICKPBNRVOPJQRC-MJBXVCDLSA-N 0 3 368.463 -0.889 20 0 FBADHN CCCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098612 842238420 /nfs/dbraw/zinc/23/84/20/842238420.db2.gz IOFKECNHZCFSDQ-UPJWGTAASA-N 0 3 356.452 -0.889 20 0 FBADHN CCCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098613 842238866 /nfs/dbraw/zinc/23/88/66/842238866.db2.gz IOFKECNHZCFSDQ-XQQFMLRXSA-N 0 3 356.452 -0.889 20 0 FBADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCS(=O)(=O)N1 ZINC001070098692 842239911 /nfs/dbraw/zinc/23/99/11/842239911.db2.gz NCTIVCNJFYCDAQ-MCIONIFRSA-N 0 3 368.463 -0.889 20 0 FBADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCS(=O)(=O)N1 ZINC001070098693 842239800 /nfs/dbraw/zinc/23/98/00/842239800.db2.gz NCTIVCNJFYCDAQ-MJBXVCDLSA-N 0 3 368.463 -0.889 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098837 842240652 /nfs/dbraw/zinc/24/06/52/842240652.db2.gz VNZDKYDLVZCZNX-MCIONIFRSA-N 0 3 370.479 -0.643 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098838 842240258 /nfs/dbraw/zinc/24/02/58/842240258.db2.gz VNZDKYDLVZCZNX-MJBXVCDLSA-N 0 3 370.479 -0.643 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100596 842240231 /nfs/dbraw/zinc/24/02/31/842240231.db2.gz XTVGQKYVRCBBDC-OWCLPIDISA-N 0 3 350.467 -0.004 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100597 842239875 /nfs/dbraw/zinc/23/98/75/842239875.db2.gz XTVGQKYVRCBBDC-PMPSAXMXSA-N 0 3 350.467 -0.004 20 0 FBADHN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001070102488 842242700 /nfs/dbraw/zinc/24/27/00/842242700.db2.gz NKDAAXALVKIJFT-OAGGEKHMSA-N 0 3 350.467 -0.124 20 0 FBADHN CCN1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001070102489 842242304 /nfs/dbraw/zinc/24/23/04/842242304.db2.gz NKDAAXALVKIJFT-PMPSAXMXSA-N 0 3 350.467 -0.124 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111531 842243986 /nfs/dbraw/zinc/24/39/86/842243986.db2.gz NEHLZGKEWMPMNI-XHSDSOJGSA-N 0 3 350.467 -0.004 20 0 FBADHN Cc1nc(C)n(CCN[C@@H]2CN(C(=O)C(F)F)C[C@@H]2n2ccnn2)n1 ZINC001070112631 842243541 /nfs/dbraw/zinc/24/35/41/842243541.db2.gz KFBIOQVNXGFLKO-NEPJUHHUSA-N 0 3 354.365 -0.207 20 0 FBADHN Cn1ccc(CN[C@@H]2CN(C(=O)C(F)F)C[C@@H]2n2ccnn2)cc1=O ZINC001070112876 842244169 /nfs/dbraw/zinc/24/41/69/842244169.db2.gz WAJPAJDAKFDGRU-NEPJUHHUSA-N 0 3 352.345 -0.216 20 0 FBADHN COCC(=O)N1C[C@@H](NC[C@H]2CCCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070113649 842243351 /nfs/dbraw/zinc/24/33/51/842243351.db2.gz HKCFIWCGSJKWQX-MCIONIFRSA-N 0 3 371.463 -0.909 20 0 FBADHN COCC(=O)N1C[C@@H](NC[C@@H]2CCCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070113650 842243631 /nfs/dbraw/zinc/24/36/31/842243631.db2.gz HKCFIWCGSJKWQX-MJBXVCDLSA-N 0 3 371.463 -0.909 20 0 FBADHN COCC(=O)N1C[C@@H](NCCn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070113814 842243589 /nfs/dbraw/zinc/24/35/89/842243589.db2.gz PVVDLYSRPMHFNB-OLZOCXBDSA-N 0 3 366.447 -0.502 20 0 FBADHN CCC(=O)N1C[C@@H](NC[C@H]2CCCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070113928 842243570 /nfs/dbraw/zinc/24/35/70/842243570.db2.gz VIMBGMHBCGREPA-MCIONIFRSA-N 0 3 355.464 -0.146 20 0 FBADHN CCC(=O)N1C[C@@H](NC[C@@H]2CCCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070113929 842243237 /nfs/dbraw/zinc/24/32/37/842243237.db2.gz VIMBGMHBCGREPA-MJBXVCDLSA-N 0 3 355.464 -0.146 20 0 FBADHN COCC(=O)N1C[C@@H](NCCn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070113996 842244906 /nfs/dbraw/zinc/24/49/06/842244906.db2.gz XQQHRXQKSRZIPQ-OLZOCXBDSA-N 0 3 353.814 -0.184 20 0 FBADHN O=C(C(F)F)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070115932 842244736 /nfs/dbraw/zinc/24/47/36/842244736.db2.gz FEZMQAWEUGIGJF-AXFHLTTASA-N 0 3 363.390 -0.681 20 0 FBADHN O=C(C(F)F)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070115933 842245345 /nfs/dbraw/zinc/24/53/45/842245345.db2.gz FEZMQAWEUGIGJF-MXWKQRLJSA-N 0 3 363.390 -0.681 20 0 FBADHN O=C(C(F)F)N1C[C@@H](NCCN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070116062 842245173 /nfs/dbraw/zinc/24/51/73/842245173.db2.gz LPONMZUHQRWRDF-ZJUUUORDSA-N 0 3 356.333 -0.966 20 0 FBADHN O=C(C1CC1)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070117955 842245722 /nfs/dbraw/zinc/24/57/22/842245722.db2.gz NPDZHJIYNZYVJW-BNOWGMLFSA-N 0 3 353.448 -0.536 20 0 FBADHN O=C(C1CC1)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070117958 842245224 /nfs/dbraw/zinc/24/52/24/842245224.db2.gz NPDZHJIYNZYVJW-YUTCNCBUSA-N 0 3 353.448 -0.536 20 0 FBADHN O=C(C1CC1)N1C[C@@H](NC[C@@H]2CCCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070118424 842246730 /nfs/dbraw/zinc/24/67/30/842246730.db2.gz UMLTVZWTYSKAQN-CFVMTHIKSA-N 0 3 367.475 -0.146 20 0 FBADHN O=C(C1CC1)N1C[C@@H](NC[C@H]2CCCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070118425 842246708 /nfs/dbraw/zinc/24/67/08/842246708.db2.gz UMLTVZWTYSKAQN-YUELXQCFSA-N 0 3 367.475 -0.146 20 0 FBADHN O=C(C1CCC1)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070119569 842245984 /nfs/dbraw/zinc/24/59/84/842245984.db2.gz WDHQEMIVZFKUOI-CFVMTHIKSA-N 0 3 367.475 -0.146 20 0 FBADHN O=C(C1CCC1)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070119571 842246184 /nfs/dbraw/zinc/24/61/84/842246184.db2.gz WDHQEMIVZFKUOI-YUELXQCFSA-N 0 3 367.475 -0.146 20 0 FBADHN O=C(CC1CC1)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070121252 842246471 /nfs/dbraw/zinc/24/64/71/842246471.db2.gz AWOKQJKSNBDSPB-KFWWJZLASA-N 0 3 367.475 -0.146 20 0 FBADHN O=C(CC1CC1)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070121253 842246948 /nfs/dbraw/zinc/24/69/48/842246948.db2.gz AWOKQJKSNBDSPB-ZNMIVQPWSA-N 0 3 367.475 -0.146 20 0 FBADHN CC(F)(F)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070121551 842247105 /nfs/dbraw/zinc/24/71/05/842247105.db2.gz OKETWUUFWJEEDO-MNOVXSKESA-N 0 3 357.365 -0.700 20 0 FBADHN CC(F)(F)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070121753 842246492 /nfs/dbraw/zinc/24/64/92/842246492.db2.gz ZPGMTXJZSZHEBD-NEPJUHHUSA-N 0 3 356.377 -0.103 20 0 FBADHN CCCC(=O)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070122928 842246212 /nfs/dbraw/zinc/24/62/12/842246212.db2.gz SCUMSXSPTCENJY-MCIONIFRSA-N 0 3 355.464 -0.146 20 0 FBADHN CCCC(=O)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070122929 842246012 /nfs/dbraw/zinc/24/60/12/842246012.db2.gz SCUMSXSPTCENJY-MJBXVCDLSA-N 0 3 355.464 -0.146 20 0 FBADHN CC(C)(F)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070124381 842246235 /nfs/dbraw/zinc/24/62/35/842246235.db2.gz CYOCWIPOKMTXEW-OLZOCXBDSA-N 0 3 352.414 -0.010 20 0 FBADHN CC(C)(F)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070124753 842246439 /nfs/dbraw/zinc/24/64/39/842246439.db2.gz XNYOZKVZYIZIOC-NEPJUHHUSA-N 0 3 353.402 -0.607 20 0 FBADHN CCN(CC)CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070124926 842246308 /nfs/dbraw/zinc/24/63/08/842246308.db2.gz GDCARDNYGJXCOC-OLZOCXBDSA-N 0 3 354.451 -0.769 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCn2nc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070133013 842248059 /nfs/dbraw/zinc/24/80/59/842248059.db2.gz BTJXAGRXNNSUBA-KGLIPLIRSA-N 0 3 364.479 -0.109 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070133346 842248985 /nfs/dbraw/zinc/24/89/85/842248985.db2.gz UUSWQBIWVSTSOJ-OLZOCXBDSA-N 0 3 352.464 -0.395 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070133352 842249524 /nfs/dbraw/zinc/24/95/24/842249524.db2.gz UZARJMADPCUOSC-NEPJUHHUSA-N 0 3 353.452 -0.992 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070134199 842248725 /nfs/dbraw/zinc/24/87/25/842248725.db2.gz JAZARQOPACXDIT-NEPJUHHUSA-N 0 3 366.447 -0.868 20 0 FBADHN CSCC(=O)N1C[C@@H](NCc2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001070140040 842248868 /nfs/dbraw/zinc/24/88/68/842248868.db2.gz HZXFQTGPIGJETR-KGLIPLIRSA-N 0 3 362.459 -0.119 20 0 FBADHN CC(C)C(=O)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070143431 842250195 /nfs/dbraw/zinc/25/01/95/842250195.db2.gz IIYFZNGQVOMRHC-MCIONIFRSA-N 0 3 355.464 -0.290 20 0 FBADHN CC(C)C(=O)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070143432 842249819 /nfs/dbraw/zinc/24/98/19/842249819.db2.gz IIYFZNGQVOMRHC-MJBXVCDLSA-N 0 3 355.464 -0.290 20 0 FBADHN CC(C)N(C)CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070144141 842250229 /nfs/dbraw/zinc/25/02/29/842250229.db2.gz USKWHQNZBDJWOR-OLZOCXBDSA-N 0 3 354.451 -0.770 20 0 FBADHN CS[C@H](C)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070144764 842250103 /nfs/dbraw/zinc/25/01/03/842250103.db2.gz POYDSJCHMYJUQC-MCIONIFRSA-N 0 3 366.491 -0.007 20 0 FBADHN CS[C@@H](C)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070144770 842250928 /nfs/dbraw/zinc/25/09/28/842250928.db2.gz POYDSJCHMYJUQC-MJBXVCDLSA-N 0 3 366.491 -0.007 20 0 FBADHN CS[C@H](C)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070145284 842250149 /nfs/dbraw/zinc/25/01/49/842250149.db2.gz VQIMQIHANBDEOU-UPJWGTAASA-N 0 3 367.479 -0.604 20 0 FBADHN CS[C@@H](C)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070145285 842250276 /nfs/dbraw/zinc/25/02/76/842250276.db2.gz VQIMQIHANBDEOU-XQQFMLRXSA-N 0 3 367.479 -0.604 20 0 FBADHN CS[C@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070145352 842250491 /nfs/dbraw/zinc/25/04/91/842250491.db2.gz YMHMYVQROZBORL-UPJWGTAASA-N 0 3 350.452 -0.337 20 0 FBADHN CS[C@@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070145353 842249860 /nfs/dbraw/zinc/24/98/60/842249860.db2.gz YMHMYVQROZBORL-XQQFMLRXSA-N 0 3 350.452 -0.337 20 0 FBADHN O=C(c1cnns1)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070146968 842251951 /nfs/dbraw/zinc/25/19/51/842251951.db2.gz NPHPDZOQHHEXMR-NEPJUHHUSA-N 0 3 359.419 -0.318 20 0 FBADHN O=C(c1cnsn1)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070148054 842251795 /nfs/dbraw/zinc/25/17/95/842251795.db2.gz KANBMEIXLGVBME-OLZOCXBDSA-N 0 3 359.419 -0.318 20 0 FBADHN O=C(c1cnsn1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070148928 842251930 /nfs/dbraw/zinc/25/19/30/842251930.db2.gz DSSRZKFYOCMSGO-NEPJUHHUSA-N 0 3 360.407 -0.923 20 0 FBADHN O=C(c1cnns1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070148998 842252582 /nfs/dbraw/zinc/25/25/82/842252582.db2.gz IYHYNGAWMVPGNV-MNOVXSKESA-N 0 3 360.407 -0.923 20 0 FBADHN CO[C@H](C)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070150651 842253245 /nfs/dbraw/zinc/25/32/45/842253245.db2.gz UTDFVPJUOCCWGD-MCIONIFRSA-N 0 3 350.423 -0.723 20 0 FBADHN CO[C@@H](C)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070150652 842253017 /nfs/dbraw/zinc/25/30/17/842253017.db2.gz UTDFVPJUOCCWGD-MJBXVCDLSA-N 0 3 350.423 -0.723 20 0 FBADHN O=C(c1cncs1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070151690 842253442 /nfs/dbraw/zinc/25/34/42/842253442.db2.gz FXXGKMWHUZWRHF-NEPJUHHUSA-N 0 3 359.419 -0.318 20 0 FBADHN O=C(CC(F)(F)F)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070154986 842254596 /nfs/dbraw/zinc/25/45/96/842254596.db2.gz LKYUAYVPXNTEQD-MNOVXSKESA-N 0 3 358.328 -0.136 20 0 FBADHN O=C(c1cscn1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070154993 842253945 /nfs/dbraw/zinc/25/39/45/842253945.db2.gz LYNIOGRJJAUWSO-YPMHNXCESA-N 0 3 359.419 -0.318 20 0 FBADHN CC[C@H](C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1)N(C)C ZINC001070157801 842255347 /nfs/dbraw/zinc/25/53/47/842255347.db2.gz LIBYOATWORXNFR-FRRDWIJNSA-N 0 3 354.451 -0.770 20 0 FBADHN NC(=O)CC(=O)N1C[C@@H](NCCn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070162182 842257185 /nfs/dbraw/zinc/25/71/85/842257185.db2.gz VLRBKWDNKKYEKG-NEPJUHHUSA-N 0 3 366.813 -0.955 20 0 FBADHN CC[C@@H](C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1)N(C)C ZINC001070173769 842257531 /nfs/dbraw/zinc/25/75/31/842257531.db2.gz LIBYOATWORXNFR-AGIUHOORSA-N 0 3 354.451 -0.770 20 0 FBADHN CCCN(C)CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070183797 842258602 /nfs/dbraw/zinc/25/86/02/842258602.db2.gz VZLPUSQLSWSYMJ-OLZOCXBDSA-N 0 3 354.451 -0.769 20 0 FBADHN O=C([C@@H]1CC1(F)F)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070190100 842259202 /nfs/dbraw/zinc/25/92/02/842259202.db2.gz NCPDBNKIVJPIHC-TUAOUCFPSA-N 0 3 352.349 -0.434 20 0 FBADHN O=C([C@H]1CC1(F)F)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070190101 842259971 /nfs/dbraw/zinc/25/99/71/842259971.db2.gz NCPDBNKIVJPIHC-UTUOFQBUSA-N 0 3 352.349 -0.434 20 0 FBADHN O=C(c1ccnn1CC(F)F)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070194893 842261635 /nfs/dbraw/zinc/26/16/35/842261635.db2.gz SKKOWKPUQXFLKL-PWSUYJOCSA-N 0 3 355.349 -0.613 20 0 FBADHN O=C(c1ncnc2sccc21)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070197976 842261094 /nfs/dbraw/zinc/26/10/94/842261094.db2.gz FTDZLOKQVUQQPA-NEPJUHHUSA-N 0 3 359.415 -0.070 20 0 FBADHN CC1(C(=O)N2C[C@@H](NC[C@H]3CCS(=O)(=O)C3)[C@@H](n3ccnn3)C2)CC1 ZINC001070200408 842260802 /nfs/dbraw/zinc/26/08/02/842260802.db2.gz MLLKIWBZEUVIQC-MCIONIFRSA-N 0 3 367.475 -0.146 20 0 FBADHN CC1(C(=O)N2C[C@@H](NC[C@@H]3CCS(=O)(=O)C3)[C@@H](n3ccnn3)C2)CC1 ZINC001070200409 842261454 /nfs/dbraw/zinc/26/14/54/842261454.db2.gz MLLKIWBZEUVIQC-MJBXVCDLSA-N 0 3 367.475 -0.146 20 0 FBADHN CCn1ncc(Cl)c1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070201498 842262595 /nfs/dbraw/zinc/26/25/95/842262595.db2.gz QTZMEKVVFZZVFQ-NEPJUHHUSA-N 0 3 353.814 -0.205 20 0 FBADHN COc1cc(CCC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)on1 ZINC001070203414 842262820 /nfs/dbraw/zinc/26/28/20/842262820.db2.gz YIHNHIHAIHVVDH-OLZOCXBDSA-N 0 3 350.379 -0.759 20 0 FBADHN O=C(c1ccns1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070204504 842262204 /nfs/dbraw/zinc/26/22/04/842262204.db2.gz ACPIPIBZSABSLH-NEPJUHHUSA-N 0 3 359.419 -0.318 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)nn1C(F)F ZINC001070206249 842262657 /nfs/dbraw/zinc/26/26/57/842262657.db2.gz PPQCSRUHYXTELD-NEPJUHHUSA-N 0 3 355.349 -0.174 20 0 FBADHN COc1cnc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c(F)c1 ZINC001070206567 842263310 /nfs/dbraw/zinc/26/33/10/842263310.db2.gz INIXAXPOSXBJJI-OLZOCXBDSA-N 0 3 350.354 -0.532 20 0 FBADHN O=C(Cn1ccc(C(F)F)n1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070206800 842264036 /nfs/dbraw/zinc/26/40/36/842264036.db2.gz UWTROLRQTUSWDY-NEPJUHHUSA-N 0 3 355.349 -0.554 20 0 FBADHN O=C(c1ncnc2ccsc21)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070206958 842264262 /nfs/dbraw/zinc/26/42/62/842264262.db2.gz YPJRULUBOGTGLQ-NEPJUHHUSA-N 0 3 359.415 -0.070 20 0 FBADHN Cc1csc(=O)n1CCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070208993 842263640 /nfs/dbraw/zinc/26/36/40/842263640.db2.gz HTKFVOCGISFKIU-OLZOCXBDSA-N 0 3 366.447 -0.766 20 0 FBADHN Cc1cn2cc(C(=O)N3C[C@@H](NCCO)[C@@H](n4ccnn4)C3)sc2n1 ZINC001070209237 842264244 /nfs/dbraw/zinc/26/42/44/842264244.db2.gz TXBBBCBAROXYCF-NEPJUHHUSA-N 0 3 361.431 -0.057 20 0 FBADHN Cn1cc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c(C(F)F)n1 ZINC001070210389 842263370 /nfs/dbraw/zinc/26/33/70/842263370.db2.gz BRQSXMYZXCBOAG-MNOVXSKESA-N 0 3 355.349 -0.403 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)sc2nccn12 ZINC001070210627 842264120 /nfs/dbraw/zinc/26/41/20/842264120.db2.gz RVINVINZSPJBRU-NEPJUHHUSA-N 0 3 361.431 -0.057 20 0 FBADHN CCc1[nH]nc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c1Cl ZINC001070210661 842263791 /nfs/dbraw/zinc/26/37/91/842263791.db2.gz UKFHUBJEIYPIJE-MNOVXSKESA-N 0 3 353.814 -0.135 20 0 FBADHN O=C(c1nc2cccnc2s1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070210679 842263699 /nfs/dbraw/zinc/26/36/99/842263699.db2.gz VKJFEFFYWUXXRI-NEPJUHHUSA-N 0 3 359.415 -0.070 20 0 FBADHN O=C(c1cc(C(F)(F)F)no1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070213670 842264987 /nfs/dbraw/zinc/26/49/87/842264987.db2.gz SOHYIHGHLBCMJM-BDAKNGLRSA-N 0 3 360.296 -0.068 20 0 FBADHN O=C(c1ccn(CC(F)F)n1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070214170 842265349 /nfs/dbraw/zinc/26/53/49/842265349.db2.gz IOJAKRUTOIMCOC-NEPJUHHUSA-N 0 3 355.349 -0.613 20 0 FBADHN O=C(c1ccsn1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070216623 842265051 /nfs/dbraw/zinc/26/50/51/842265051.db2.gz YRHUVXJQTYALSO-OLZOCXBDSA-N 0 3 359.419 -0.318 20 0 FBADHN Cc1nc2sccn2c1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070218490 842264535 /nfs/dbraw/zinc/26/45/35/842264535.db2.gz JRXXSNYEFCCHCK-NEPJUHHUSA-N 0 3 361.431 -0.057 20 0 FBADHN O=C(c1cc(C(F)F)ncn1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070218525 842265172 /nfs/dbraw/zinc/26/51/72/842265172.db2.gz LTKLXXMWCRRIIH-NEPJUHHUSA-N 0 3 353.333 -0.347 20 0 FBADHN Cc1nc(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c(C)s1 ZINC001070218710 842266698 /nfs/dbraw/zinc/26/66/98/842266698.db2.gz PJZOITFQNAJOSA-KGLIPLIRSA-N 0 3 350.448 -0.072 20 0 FBADHN O=C(c1ncoc1C(F)(F)F)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070221996 842265932 /nfs/dbraw/zinc/26/59/32/842265932.db2.gz BEBKDYOSUNDCKW-BDAKNGLRSA-N 0 3 360.296 -0.068 20 0 FBADHN CC(=O)Nc1nc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cs1 ZINC001070224564 842266300 /nfs/dbraw/zinc/26/63/00/842266300.db2.gz MQUAOTRGBIMPNE-PWSUYJOCSA-N 0 3 365.419 -0.659 20 0 FBADHN O=C(c1cn[nH]n1)N1C[C@@H](NCCc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070224595 842266752 /nfs/dbraw/zinc/26/67/52/842266752.db2.gz OMOUOQNERIXTGZ-OLZOCXBDSA-N 0 3 359.419 -0.249 20 0 FBADHN Cc1nn(C)c(Cl)c1CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070225984 842267497 /nfs/dbraw/zinc/26/74/97/842267497.db2.gz HUMPPJFHCBOLGG-OLZOCXBDSA-N 0 3 367.841 -0.450 20 0 FBADHN O=C(c1coc(C(F)(F)F)n1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070227269 842267165 /nfs/dbraw/zinc/26/71/65/842267165.db2.gz VIYDDVOPHULLQW-SCZZXKLOSA-N 0 3 360.296 -0.068 20 0 FBADHN O=C(c1nc2cnccc2s1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070230345 842267537 /nfs/dbraw/zinc/26/75/37/842267537.db2.gz IFBDCYLSYNVWAU-NEPJUHHUSA-N 0 3 359.415 -0.070 20 0 FBADHN Cn1nc(C(F)F)cc1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070233275 842268701 /nfs/dbraw/zinc/26/87/01/842268701.db2.gz IIZZXRYMMFWSIQ-PWSUYJOCSA-N 0 3 355.349 -0.403 20 0 FBADHN Cn1nc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cc1C(F)F ZINC001070234889 842268376 /nfs/dbraw/zinc/26/83/76/842268376.db2.gz MPMSAAFDPXHVCN-PWSUYJOCSA-N 0 3 355.349 -0.403 20 0 FBADHN O=C(c1conc1C(F)(F)F)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070234965 842268338 /nfs/dbraw/zinc/26/83/38/842268338.db2.gz QTSKIBAIICRSCP-ZJUUUORDSA-N 0 3 360.296 -0.068 20 0 FBADHN Cc1nc(C)c(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)s1 ZINC001070238078 842268738 /nfs/dbraw/zinc/26/87/38/842268738.db2.gz XTOIKJSVCSBKLW-OLZOCXBDSA-N 0 3 350.448 -0.072 20 0 FBADHN O=C(c1ocnc1C(F)(F)F)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070242585 842270458 /nfs/dbraw/zinc/27/04/58/842270458.db2.gz IYIXFSSZAOLLEC-BDAKNGLRSA-N 0 3 360.296 -0.068 20 0 FBADHN O=C(c1csnn1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070243561 842269749 /nfs/dbraw/zinc/26/97/49/842269749.db2.gz GABXPGSZVWFYEV-PWSUYJOCSA-N 0 3 360.407 -0.923 20 0 FBADHN O=C(c1csnn1)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070244024 842269921 /nfs/dbraw/zinc/26/99/21/842269921.db2.gz ZCTVCGKDSOYPOM-YPMHNXCESA-N 0 3 359.419 -0.318 20 0 FBADHN Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070246234 842269677 /nfs/dbraw/zinc/26/96/77/842269677.db2.gz LWFPDZJBWICFIE-MNOVXSKESA-N 0 3 353.814 -0.379 20 0 FBADHN CC[C@@H](F)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070248643 842270729 /nfs/dbraw/zinc/27/07/29/842270729.db2.gz CSNRFOVQBJRAKH-UPJWGTAASA-N 0 3 353.402 -0.607 20 0 FBADHN CC[C@H](F)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070248644 842271486 /nfs/dbraw/zinc/27/14/86/842271486.db2.gz CSNRFOVQBJRAKH-XQQFMLRXSA-N 0 3 353.402 -0.607 20 0 FBADHN CC[C@@H](F)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070248803 842271305 /nfs/dbraw/zinc/27/13/05/842271305.db2.gz JVWALTBFDUWCAA-MCIONIFRSA-N 0 3 352.414 -0.010 20 0 FBADHN CC[C@H](F)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070248804 842271705 /nfs/dbraw/zinc/27/17/05/842271705.db2.gz JVWALTBFDUWCAA-MJBXVCDLSA-N 0 3 352.414 -0.010 20 0 FBADHN CC(C)[C@@H](F)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070254964 842272630 /nfs/dbraw/zinc/27/26/30/842272630.db2.gz GKQZCCGDYITEMD-HZSPNIEDSA-N 0 3 350.402 -0.095 20 0 FBADHN CC(C)[C@H](F)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070254965 842272496 /nfs/dbraw/zinc/27/24/96/842272496.db2.gz GKQZCCGDYITEMD-RDBSUJKOSA-N 0 3 350.402 -0.095 20 0 FBADHN CCCN(C)CC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070255477 842272661 /nfs/dbraw/zinc/27/26/61/842272661.db2.gz CSXPLQHXPBBDRW-OLZOCXBDSA-N 0 3 354.451 -0.769 20 0 FBADHN CC[C@@H](C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1)N(C)C ZINC001070255868 842273477 /nfs/dbraw/zinc/27/34/77/842273477.db2.gz YFPCBQHEYMLNGJ-AGIUHOORSA-N 0 3 354.451 -0.770 20 0 FBADHN CC[C@H](C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1)N(C)C ZINC001070255869 842273437 /nfs/dbraw/zinc/27/34/37/842273437.db2.gz YFPCBQHEYMLNGJ-FRRDWIJNSA-N 0 3 354.451 -0.770 20 0 FBADHN CCN(CC)CC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070256403 842273718 /nfs/dbraw/zinc/27/37/18/842273718.db2.gz COZJXNSRBRFVRF-OLZOCXBDSA-N 0 3 354.451 -0.769 20 0 FBADHN CC(C)N(C)CC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001070256658 842274655 /nfs/dbraw/zinc/27/46/55/842274655.db2.gz NDIZESDVDXXHOW-OLZOCXBDSA-N 0 3 354.451 -0.770 20 0 FBADHN CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070259232 842276056 /nfs/dbraw/zinc/27/60/56/842276056.db2.gz DYXBVAAGHGAVCW-RDBSUJKOSA-N 0 3 350.423 -0.989 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N2C[C@@H](NCCF)[C@@H](n3ccnn3)C2)C1 ZINC001070260501 842275368 /nfs/dbraw/zinc/27/53/68/842275368.db2.gz LOBZWCLMEQNDGT-ILXRZTDVSA-N 0 3 354.430 -0.302 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](NCCF)[C@@H](n3ccnn3)C2)C1 ZINC001070260505 842275888 /nfs/dbraw/zinc/27/58/88/842275888.db2.gz LOBZWCLMEQNDGT-QLFBSQMISA-N 0 3 354.430 -0.302 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](NC[C@@H](O)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001070264658 842277034 /nfs/dbraw/zinc/27/70/34/842277034.db2.gz YVRCDJHWYBVOHC-HZSPNIEDSA-N 0 3 350.423 -0.954 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](NC[C@H](O)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001070264659 842277011 /nfs/dbraw/zinc/27/70/11/842277011.db2.gz YVRCDJHWYBVOHC-RDBSUJKOSA-N 0 3 350.423 -0.954 20 0 FBADHN CC(F)(F)CC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070268831 842277911 /nfs/dbraw/zinc/27/79/11/842277911.db2.gz PRBXBHITSHLZLX-NEPJUHHUSA-N 0 3 354.365 -0.043 20 0 FBADHN Cn1cc(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c(Cl)n1 ZINC001070274048 842277706 /nfs/dbraw/zinc/27/77/06/842277706.db2.gz PAGVURFJQVWPOU-NEPJUHHUSA-N 0 3 353.814 -0.759 20 0 FBADHN O=C(Cc1ccncc1Cl)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070276749 842279049 /nfs/dbraw/zinc/27/90/49/842279049.db2.gz YKHRVMKIIQZCJD-KGLIPLIRSA-N 0 3 350.810 -0.097 20 0 FBADHN O=C(Cc1c[nH]cn1)N1C[C@@H](NCc2csnn2)[C@@H](n2ccnn2)C1 ZINC001070284462 842278621 /nfs/dbraw/zinc/27/86/21/842278621.db2.gz DUEHWHCRZLGUQU-OLZOCXBDSA-N 0 3 359.419 -0.363 20 0 FBADHN O=C(Cc1c[nH]cn1)N1C[C@@H](NCc2nncs2)[C@@H](n2ccnn2)C1 ZINC001070284504 842278978 /nfs/dbraw/zinc/27/89/78/842278978.db2.gz GXNFKNTUONSKCI-NEPJUHHUSA-N 0 3 359.419 -0.363 20 0 FBADHN O=C(Cc1c[nH]cn1)N1C[C@@H](NCc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070284778 842279382 /nfs/dbraw/zinc/27/93/82/842279382.db2.gz URPJPGVALXAMOA-OLZOCXBDSA-N 0 3 359.419 -0.363 20 0 FBADHN O=C(Cc1c[nH]cn1)N1C[C@@H](NCc2cnsn2)[C@@H](n2ccnn2)C1 ZINC001070284878 842279293 /nfs/dbraw/zinc/27/92/93/842279293.db2.gz ZKIKYYUSOHJATE-OLZOCXBDSA-N 0 3 359.419 -0.363 20 0 FBADHN Cc1c(Cl)c(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)nn1C ZINC001070289555 842280857 /nfs/dbraw/zinc/28/08/57/842280857.db2.gz IZGMEACGIUXOBO-MNOVXSKESA-N 0 3 353.814 -0.379 20 0 FBADHN Cc1nc(N(C)C)sc1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070289556 842280220 /nfs/dbraw/zinc/28/02/20/842280220.db2.gz IZTHMTDQJUSIOK-NEPJUHHUSA-N 0 3 365.463 -0.243 20 0 FBADHN Cc1ncc(Cl)c(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)n1 ZINC001070289596 842280013 /nfs/dbraw/zinc/28/00/13/842280013.db2.gz LLNAEGXOIPRXAT-NEPJUHHUSA-N 0 3 351.798 -0.322 20 0 FBADHN COCc1ncsc1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070290537 842280124 /nfs/dbraw/zinc/28/01/24/842280124.db2.gz BTWQVEQNSPYRPH-PWSUYJOCSA-N 0 3 352.420 -0.471 20 0 FBADHN NC(=O)c1ccc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)s1 ZINC001070294928 842280940 /nfs/dbraw/zinc/28/09/40/842280940.db2.gz CBDPTQDMZFNSKJ-ZJUUUORDSA-N 0 3 350.404 -0.914 20 0 FBADHN Cc1noc(Cl)c1CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070295056 842282224 /nfs/dbraw/zinc/28/22/24/842282224.db2.gz JPNPPGLXTMZKRY-NEPJUHHUSA-N 0 3 354.798 -0.196 20 0 FBADHN O=C(c1nc[nH]n1)N1C[C@@H](NCCc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070299199 842282007 /nfs/dbraw/zinc/28/20/07/842282007.db2.gz MDNWQUCOKAPRGJ-NEPJUHHUSA-N 0 3 359.419 -0.249 20 0 FBADHN O=C(c1nccs1)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070301121 842281982 /nfs/dbraw/zinc/28/19/82/842281982.db2.gz LOVARAHHVYJUGP-NEPJUHHUSA-N 0 3 359.419 -0.318 20 0 FBADHN CC(C)c1nnsc1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070301181 842282323 /nfs/dbraw/zinc/28/23/23/842282323.db2.gz ORUUYBHPXACDDZ-MNOVXSKESA-N 0 3 351.436 -0.099 20 0 FBADHN O=C(c1cccc2nsnc21)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070305042 842282678 /nfs/dbraw/zinc/28/26/78/842282678.db2.gz AKYAJPPNBOQWNB-OLZOCXBDSA-N 0 3 359.415 -0.070 20 0 FBADHN CC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070306479 842283310 /nfs/dbraw/zinc/28/33/10/842283310.db2.gz DALJFMBYQZMMIH-MCIONIFRSA-N 0 3 350.423 -0.987 20 0 FBADHN CC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070306480 842283329 /nfs/dbraw/zinc/28/33/29/842283329.db2.gz DALJFMBYQZMMIH-MJBXVCDLSA-N 0 3 350.423 -0.987 20 0 FBADHN O=C(c1scc2c1OCCO2)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070306807 842283142 /nfs/dbraw/zinc/28/31/42/842283142.db2.gz YLRTXSLRIVRSFW-MNOVXSKESA-N 0 3 365.415 -0.242 20 0 FBADHN CCc1nn(C)c(Cl)c1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070308093 842282938 /nfs/dbraw/zinc/28/29/38/842282938.db2.gz AOYWFPNWHLLDOA-NEPJUHHUSA-N 0 3 367.841 -0.125 20 0 FBADHN COCc1nc(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cs1 ZINC001070308104 842283022 /nfs/dbraw/zinc/28/30/22/842283022.db2.gz BGRMLYMIOOTURQ-OLZOCXBDSA-N 0 3 366.447 -0.543 20 0 FBADHN Cn1ncc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c1C(F)F ZINC001070308132 842283286 /nfs/dbraw/zinc/28/32/86/842283286.db2.gz COOJPPDRFLPQGC-MNOVXSKESA-N 0 3 355.349 -0.403 20 0 FBADHN O=C(Cc1ncn[nH]1)N1C[C@@H](NCc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070308975 842284055 /nfs/dbraw/zinc/28/40/55/842284055.db2.gz OVZHXYIHNFXWHQ-MNOVXSKESA-N 0 3 360.407 -0.968 20 0 FBADHN C[C@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N1CCCC1=O ZINC001070310259 842283804 /nfs/dbraw/zinc/28/38/04/842283804.db2.gz QXIDTJYMNQZXEQ-MCIONIFRSA-N 0 3 350.423 -0.987 20 0 FBADHN C[C@@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N1CCCC1=O ZINC001070310260 842284097 /nfs/dbraw/zinc/28/40/97/842284097.db2.gz QXIDTJYMNQZXEQ-MJBXVCDLSA-N 0 3 350.423 -0.987 20 0 FBADHN O=C(C[C@H]1CCCCC(=O)N1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070317034 842284240 /nfs/dbraw/zinc/28/42/40/842284240.db2.gz GAMRBEBDTDIOFN-MCIONIFRSA-N 0 3 350.423 -0.939 20 0 FBADHN O=C(C[C@@H]1CCCCC(=O)N1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070317036 842284605 /nfs/dbraw/zinc/28/46/05/842284605.db2.gz GAMRBEBDTDIOFN-MJBXVCDLSA-N 0 3 350.423 -0.939 20 0 FBADHN COCc1nc(C)c(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)s1 ZINC001070318923 842283927 /nfs/dbraw/zinc/28/39/27/842283927.db2.gz QONUBDIQJXGOKS-NEPJUHHUSA-N 0 3 366.447 -0.163 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c(Cl)nn1C ZINC001070318978 842284648 /nfs/dbraw/zinc/28/46/48/842284648.db2.gz TYVUSEHTFWXIIN-MNOVXSKESA-N 0 3 353.814 -0.379 20 0 FBADHN O=C(CN1CCCCCC1=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070323198 842285295 /nfs/dbraw/zinc/28/52/95/842285295.db2.gz KQUIKXWUAJLIPR-KGLIPLIRSA-N 0 3 350.423 -0.986 20 0 FBADHN O=C(Cc1csc2nccn12)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070327113 842285969 /nfs/dbraw/zinc/28/59/69/842285969.db2.gz SOFAWJDDBYORAM-OLZOCXBDSA-N 0 3 361.431 -0.436 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](NCCF)[C@@H](n2ccnn2)C1 ZINC001070328285 842285337 /nfs/dbraw/zinc/28/53/37/842285337.db2.gz VBXCGWSIRFTVGH-KFWWJZLASA-N 0 3 354.430 -0.443 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](NCCF)[C@@H](n2ccnn2)C1 ZINC001070328286 842285984 /nfs/dbraw/zinc/28/59/84/842285984.db2.gz VBXCGWSIRFTVGH-ZNMIVQPWSA-N 0 3 354.430 -0.443 20 0 FBADHN Cc1nn(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c(C)c1Cl ZINC001070329440 842286696 /nfs/dbraw/zinc/28/66/96/842286696.db2.gz PUMKIHXKBVWDGC-OLZOCXBDSA-N 0 3 367.841 -0.221 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N1CCCC1=O ZINC001070329802 842287149 /nfs/dbraw/zinc/28/71/49/842287149.db2.gz HRACZIGTRXYMDL-MCIONIFRSA-N 0 3 350.423 -0.987 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N1CCCC1=O ZINC001070329803 842286801 /nfs/dbraw/zinc/28/68/01/842286801.db2.gz HRACZIGTRXYMDL-RDBSUJKOSA-N 0 3 350.423 -0.987 20 0 FBADHN COc1ncc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cc1Cl ZINC001070331324 842287123 /nfs/dbraw/zinc/28/71/23/842287123.db2.gz PQPQRQOOWQUVRR-OLZOCXBDSA-N 0 3 366.809 -0.017 20 0 FBADHN O=C(CCn1cc(Cl)cn1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070332384 842287005 /nfs/dbraw/zinc/28/70/05/842287005.db2.gz BDUYJWQUHJAGHF-OLZOCXBDSA-N 0 3 353.814 -0.448 20 0 FBADHN Cc1sc(=O)n(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c1C ZINC001070332464 842287417 /nfs/dbraw/zinc/28/74/17/842287417.db2.gz FRXNFIDQKLRGTO-OLZOCXBDSA-N 0 3 366.447 -0.848 20 0 FBADHN CCc1nc(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cs1 ZINC001070332492 842287209 /nfs/dbraw/zinc/28/72/09/842287209.db2.gz GQAKKDRDHWLAGT-OLZOCXBDSA-N 0 3 350.448 -0.127 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N1CCCCC1=O ZINC001070332805 842287400 /nfs/dbraw/zinc/28/74/00/842287400.db2.gz WISMFHXKXMDPKX-MCIONIFRSA-N 0 3 350.423 -0.987 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N1CCCCC1=O ZINC001070332806 842287060 /nfs/dbraw/zinc/28/70/60/842287060.db2.gz WISMFHXKXMDPKX-MJBXVCDLSA-N 0 3 350.423 -0.987 20 0 FBADHN NC(=O)c1csc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)c1 ZINC001070334579 842286449 /nfs/dbraw/zinc/28/64/49/842286449.db2.gz GCJMOWIVUJIWAU-MNOVXSKESA-N 0 3 350.404 -0.914 20 0 FBADHN COCc1nc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cs1 ZINC001070337139 842287845 /nfs/dbraw/zinc/28/78/45/842287845.db2.gz OQNQGSUAHWQGSI-PWSUYJOCSA-N 0 3 352.420 -0.471 20 0 FBADHN COCc1ncc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)s1 ZINC001070339090 842288573 /nfs/dbraw/zinc/28/85/73/842288573.db2.gz FOIWLDGQPDIARF-MNOVXSKESA-N 0 3 352.420 -0.471 20 0 FBADHN CCN1CC[C@H]([NH2+]C[C@@H]2OCC[C@@H]2c2nnc(CNC(C)=O)[n-]2)C1=O ZINC001070353276 842288620 /nfs/dbraw/zinc/28/86/20/842288620.db2.gz HOIZCHABFZOVIU-AVGNSLFASA-N 0 3 350.423 -0.476 20 0 FBADHN CCN1CC[C@@H]([NH2+]C[C@@H]2OCC[C@@H]2c2nnc(CNC(C)=O)[n-]2)C1=O ZINC001070353277 842288939 /nfs/dbraw/zinc/28/89/39/842288939.db2.gz HOIZCHABFZOVIU-XQQFMLRXSA-N 0 3 350.423 -0.476 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H]2CCCN(C)C2=O)[n-]1 ZINC001070353413 842288743 /nfs/dbraw/zinc/28/87/43/842288743.db2.gz NZMZMENETQWGMQ-AVGNSLFASA-N 0 3 350.423 -0.476 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCCN(C)C2=O)[n-]1 ZINC001070353414 842288377 /nfs/dbraw/zinc/28/83/77/842288377.db2.gz NZMZMENETQWGMQ-XQQFMLRXSA-N 0 3 350.423 -0.476 20 0 FBADHN CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCN2CCNC2=O)CC1 ZINC001070362963 842289765 /nfs/dbraw/zinc/28/97/65/842289765.db2.gz ONICVKWAZUCWIF-ZBFHGGJFSA-N 0 3 351.451 -0.493 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCC(F)(F)F)CC1 ZINC001070377227 842292537 /nfs/dbraw/zinc/29/25/37/842292537.db2.gz MRPBRVUTGNOYAQ-PWSUYJOCSA-N 0 3 364.368 -0.101 20 0 FBADHN O=C(Cc1nnc[nH]1)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCF)CC1 ZINC001070381478 842292907 /nfs/dbraw/zinc/29/29/07/842292907.db2.gz CKSKTEVQLYQSSF-WBMJQRKESA-N 0 3 352.414 -0.208 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C(F)F)C[C@H]2NCCN2CCNC2=O)c1 ZINC001070454405 842294067 /nfs/dbraw/zinc/29/40/67/842294067.db2.gz ZIGISCMSZUDZBH-CMPLNLGQSA-N 0 3 356.377 -0.406 20 0 FBADHN CSCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCN2CCNC2=O)C1 ZINC001070465182 842293489 /nfs/dbraw/zinc/29/34/89/842293489.db2.gz UTRGRTFUDQOWRR-GXTWGEPZSA-N 0 3 366.491 -0.308 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@H]2NCCO)c1 ZINC001070499394 842295045 /nfs/dbraw/zinc/29/50/45/842295045.db2.gz QYUWLNTURLLYBO-CFVMTHIKSA-N 0 3 370.475 -0.736 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@H]2NCCO)c1 ZINC001070499395 842295102 /nfs/dbraw/zinc/29/51/02/842295102.db2.gz QYUWLNTURLLYBO-NWANDNLSSA-N 0 3 370.475 -0.736 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCCF)C2)O1 ZINC001070505750 842296012 /nfs/dbraw/zinc/29/60/12/842296012.db2.gz GXZOMXVSASAZJK-OCVGTWLNSA-N 0 3 353.442 -0.007 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@H]2NCCO)c1 ZINC001070510688 842296485 /nfs/dbraw/zinc/29/64/85/842296485.db2.gz ONCIPIPZXIWLTO-KCQAQPDRSA-N 0 3 370.475 -0.879 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2NCCO)c1 ZINC001070510689 842296337 /nfs/dbraw/zinc/29/63/37/842296337.db2.gz ONCIPIPZXIWLTO-VNHYZAJKSA-N 0 3 370.475 -0.879 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@H]2NCCO)c1 ZINC001070517064 842296778 /nfs/dbraw/zinc/29/67/78/842296778.db2.gz WADARYRLIDXYJL-KCQAQPDRSA-N 0 3 370.475 -0.736 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@H]2NCCO)c1 ZINC001070517065 842296729 /nfs/dbraw/zinc/29/67/29/842296729.db2.gz WADARYRLIDXYJL-VNHYZAJKSA-N 0 3 370.475 -0.736 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@H]2NCCO)c1 ZINC001070542056 842297388 /nfs/dbraw/zinc/29/73/88/842297388.db2.gz PNWPAXGMNQNQOM-KCQAQPDRSA-N 0 3 370.475 -0.879 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@H]2NCCO)c1 ZINC001070542057 842298228 /nfs/dbraw/zinc/29/82/28/842298228.db2.gz PNWPAXGMNQNQOM-VNHYZAJKSA-N 0 3 370.475 -0.879 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]2NCCO)c1 ZINC001070542180 842297665 /nfs/dbraw/zinc/29/76/65/842297665.db2.gz UTLJSTWZCQJXQM-WCQYABFASA-N 0 3 358.464 -0.880 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2NCCO)c1 ZINC001070542213 842298003 /nfs/dbraw/zinc/29/80/03/842298003.db2.gz VVJKIDGWGXREJU-DZGCQCFKSA-N 0 3 370.475 -0.879 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@H]2NCCO)c1 ZINC001070544179 842298172 /nfs/dbraw/zinc/29/81/72/842298172.db2.gz KCCCLJAHIWHULG-BJJXKVORSA-N 0 3 370.475 -0.736 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@H]2NCCO)c1 ZINC001070544180 842298309 /nfs/dbraw/zinc/29/83/09/842298309.db2.gz KCCCLJAHIWHULG-JGGQBBKZSA-N 0 3 370.475 -0.736 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)CCN3CCOCC3)C[C@H]2NCCF)c1 ZINC001070546757 842299071 /nfs/dbraw/zinc/29/90/71/842299071.db2.gz IMMPWOPBDAWRTC-GOEBONIOSA-N 0 3 353.442 -0.004 20 0 FBADHN Cn1cnc([C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]2NCCO)c1 ZINC001070549849 842299405 /nfs/dbraw/zinc/29/94/05/842299405.db2.gz VFYYAQUDOZWCGZ-GXTWGEPZSA-N 0 3 370.475 -0.736 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCCF)C2)C1 ZINC001070566476 842299116 /nfs/dbraw/zinc/29/91/16/842299116.db2.gz QSKAAFYQRMOGEG-IMJJTQAJSA-N 0 3 353.442 -0.006 20 0 FBADHN CCN1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCCF)C2)C1 ZINC001070566477 842299436 /nfs/dbraw/zinc/29/94/36/842299436.db2.gz QSKAAFYQRMOGEG-NUEKZKHPSA-N 0 3 353.442 -0.006 20 0 FBADHN CC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)O2)n1 ZINC001070571519 842300639 /nfs/dbraw/zinc/30/06/39/842300639.db2.gz FUKZYGYIVZRNFU-GARJFASQSA-N 0 3 350.379 -0.944 20 0 FBADHN CC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)O2)n1 ZINC001070571520 842301388 /nfs/dbraw/zinc/30/13/88/842301388.db2.gz FUKZYGYIVZRNFU-HBNTYKKESA-N 0 3 350.379 -0.944 20 0 FBADHN CC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@H]3CCCN(C)C3=O)O2)n1 ZINC001070571631 842301042 /nfs/dbraw/zinc/30/10/42/842301042.db2.gz 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/nfs/dbraw/zinc/32/97/51/842329751.db2.gz BVQHEYJIYMTJJY-RISCZKNCSA-N 0 3 351.407 -0.492 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001071063081 842329603 /nfs/dbraw/zinc/32/96/03/842329603.db2.gz CCHNZRNNZGTUNX-YOENINGUSA-N 0 3 355.435 -0.739 20 0 FBADHN NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001071064062 842329720 /nfs/dbraw/zinc/32/97/20/842329720.db2.gz FCDGYUZYLRPRGM-IOASZLSFSA-N 0 3 352.435 -0.874 20 0 FBADHN Cn1cnn(CC(=O)N2CCC([C@@H]3OCC[C@H]3NCCF)CC2)c1=O ZINC001071066300 842330357 /nfs/dbraw/zinc/33/03/57/842330357.db2.gz KAKACELBSCLDAA-HIFRSBDPSA-N 0 3 355.414 -0.463 20 0 FBADHN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn[n-]n2)CC1)C(N)=O ZINC001071066946 842330389 /nfs/dbraw/zinc/33/03/89/842330389.db2.gz BGCBSEYWFKESFQ-BZPMIXESSA-N 0 3 350.423 -0.332 20 0 FBADHN CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn[n-]n2)CC1)C(N)=O ZINC001071066947 842329876 /nfs/dbraw/zinc/32/98/76/842329876.db2.gz BGCBSEYWFKESFQ-SCRDCRAPSA-N 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O=C(C1CC(=O)NC(=O)C1)N1CCC([C@@H]2OCC[C@H]2NCCF)CC1 ZINC001071093647 842332569 /nfs/dbraw/zinc/33/25/69/842332569.db2.gz VNFLOGBPAMIKCI-CJNGLKHVSA-N 0 3 355.410 -0.006 20 0 FBADHN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc[n-]n2)CC1)C(N)=O ZINC001071094713 842332112 /nfs/dbraw/zinc/33/21/12/842332112.db2.gz STUYXZTZSMPOCN-UPJWGTAASA-N 0 3 350.423 -0.332 20 0 FBADHN CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc[n-]n2)CC1)C(N)=O ZINC001071094714 842332685 /nfs/dbraw/zinc/33/26/85/842332685.db2.gz STUYXZTZSMPOCN-XQQFMLRXSA-N 0 3 350.423 -0.332 20 0 FBADHN CCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)nn1 ZINC001071096433 842332270 /nfs/dbraw/zinc/33/22/70/842332270.db2.gz DKCBRHONESCDHX-DOMZBBRYSA-N 0 3 350.423 -0.617 20 0 FBADHN Cc1nonc1CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001071097290 842332958 /nfs/dbraw/zinc/33/29/58/842332958.db2.gz AGYZZFSHGLWCTD-WBMJQRKESA-N 0 3 351.407 -0.608 20 0 FBADHN O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2OCC[C@H]2NCCF)CC1 ZINC001071102231 842333250 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C[C@@H]1OCCO[C@@H]1C(=O)N1CC2(C1)CCN(CCN1CCCC1=O)C2 ZINC001072825169 842338023 /nfs/dbraw/zinc/33/80/23/842338023.db2.gz YIXAXJAFHVGXKK-HOCLYGCPSA-N 0 3 351.447 -0.053 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC3(C2)CCN(CC(=O)N2CCC2)C3)O1 ZINC001072849589 842339958 /nfs/dbraw/zinc/33/99/58/842339958.db2.gz HYYXUKJEFFTZJK-HUUCEWRRSA-N 0 3 350.463 -0.528 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)C3)O1 ZINC001072849741 842337748 /nfs/dbraw/zinc/33/77/48/842337748.db2.gz KIBWWKJADHZGJQ-QLFBSQMISA-N 0 3 350.463 -0.530 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCN(C)C2=O)C3)O1 ZINC001072849742 842338958 /nfs/dbraw/zinc/33/89/58/842338958.db2.gz KIBWWKJADHZGJQ-RBSFLKMASA-N 0 3 350.463 -0.530 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC001072849766 842339147 /nfs/dbraw/zinc/33/91/47/842339147.db2.gz LPCSRTASKMZATH-QLFBSQMISA-N 0 3 352.479 -0.284 20 0 FBADHN C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 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/nfs/dbraw/zinc/64/80/92/836648092.db2.gz MEGYWCFZCBHTOT-OWCLPIDISA-N 0 3 352.479 -0.357 20 0 FBADHN CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)n1 ZINC001076986372 836648169 /nfs/dbraw/zinc/64/81/69/836648169.db2.gz VZOIEVSTTJSECV-BZUAXINKSA-N 0 3 350.467 -0.168 20 0 FBADHN CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)n1 ZINC001076986373 836648518 /nfs/dbraw/zinc/64/85/18/836648518.db2.gz VZOIEVSTTJSECV-OWCLPIDISA-N 0 3 350.467 -0.168 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O ZINC001076987090 836648355 /nfs/dbraw/zinc/64/83/55/836648355.db2.gz BZIRIMAKLQPHFG-QLFBSQMISA-N 0 3 353.467 -0.954 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O ZINC001076987091 836648489 /nfs/dbraw/zinc/64/84/89/836648489.db2.gz BZIRIMAKLQPHFG-RBSFLKMASA-N 0 3 353.467 -0.954 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O ZINC001076987242 836647647 /nfs/dbraw/zinc/64/76/47/836647647.db2.gz IDQRZZYCAIMTRO-BZUAXINKSA-N 0 3 352.479 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836649412 /nfs/dbraw/zinc/64/94/12/836649412.db2.gz ZORBJYRJRBWACN-HUUCEWRRSA-N 0 3 352.479 -0.356 20 0 FBADHN COCCn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)c(C)n1 ZINC001076992299 836647111 /nfs/dbraw/zinc/64/71/11/836647111.db2.gz NMSKVDPSHZMXQP-FVQBIDKESA-N 0 3 352.435 -0.351 20 0 FBADHN COCCn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)c(C)n1 ZINC001076992300 836646677 /nfs/dbraw/zinc/64/66/77/836646677.db2.gz NMSKVDPSHZMXQP-NUEKZKHPSA-N 0 3 352.435 -0.351 20 0 FBADHN C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001076999134 836649513 /nfs/dbraw/zinc/64/95/13/836649513.db2.gz FPWOXLTYUARKSS-RBSFLKMASA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001076999135 836648943 /nfs/dbraw/zinc/64/89/43/836648943.db2.gz FPWOXLTYUARKSS-RRFJBIMHSA-N 0 3 354.495 -0.111 20 0 FBADHN CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCCC3)C2)C1=O ZINC001076999269 836649173 /nfs/dbraw/zinc/64/91/73/836649173.db2.gz 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CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1)OC ZINC001077002853 836653436 /nfs/dbraw/zinc/65/34/36/836653436.db2.gz JMJFVWNQSPGECA-JHJVBQTASA-N 0 3 355.435 -0.642 20 0 FBADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1)OC ZINC001077002854 836652731 /nfs/dbraw/zinc/65/27/31/836652731.db2.gz JMJFVWNQSPGECA-YNEHKIRRSA-N 0 3 355.435 -0.642 20 0 FBADHN Cn1ncc(Cl)c1C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077006115 836653965 /nfs/dbraw/zinc/65/39/65/836653965.db2.gz FBMNGPITEXBQBB-CYZMBNFOSA-N 0 3 369.853 -0.235 20 0 FBADHN Cn1ncc(Cl)c1C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077006116 836654738 /nfs/dbraw/zinc/65/47/38/836654738.db2.gz FBMNGPITEXBQBB-RAIGVLPGSA-N 0 3 369.853 -0.235 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001077014344 836656700 /nfs/dbraw/zinc/65/67/00/836656700.db2.gz RHKIUXXEXPTESF-DTZQCDIJSA-N 0 3 353.463 -0.121 20 0 FBADHN NC(=O)c1ncn(CC(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)n1 ZINC001077026745 836659027 /nfs/dbraw/zinc/65/90/27/836659027.db2.gz IEEIYAVTTBVVTF-CHWSQXEVSA-N 0 3 350.423 -0.881 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077034241 836662059 /nfs/dbraw/zinc/66/20/59/836662059.db2.gz PMAUINDYCPQJBI-JHJVBQTASA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077034242 836662132 /nfs/dbraw/zinc/66/21/32/836662132.db2.gz PMAUINDYCPQJBI-YNEHKIRRSA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@H]2O)n1 ZINC001077034276 836661708 /nfs/dbraw/zinc/66/17/08/836661708.db2.gz QPCRIXKHPRJHOR-JHJVBQTASA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@H]2O)n1 ZINC001077034277 836662214 /nfs/dbraw/zinc/66/22/14/836662214.db2.gz QPCRIXKHPRJHOR-YNEHKIRRSA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@H]2O)n1 ZINC001077034435 836661537 /nfs/dbraw/zinc/66/15/37/836661537.db2.gz 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O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O)c1cc(Br)n[nH]1 ZINC001077081989 836674699 /nfs/dbraw/zinc/67/46/99/836674699.db2.gz VLQHAXFOQADGLO-JMJZKYOTSA-N 0 3 359.224 -0.016 20 0 FBADHN CCN1C[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC1=O ZINC001077086197 836672405 /nfs/dbraw/zinc/67/24/05/836672405.db2.gz OWGVOVQBXBDVPR-ARFHVFGLSA-N 0 3 353.463 -0.167 20 0 FBADHN CCN1C[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC1=O ZINC001077086198 836672356 /nfs/dbraw/zinc/67/23/56/836672356.db2.gz OWGVOVQBXBDVPR-BZUAXINKSA-N 0 3 353.463 -0.167 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CC1=O ZINC001077087336 836677604 /nfs/dbraw/zinc/67/76/04/836677604.db2.gz FAHRZEIAPVBDRH-ARFHVFGLSA-N 0 3 353.463 -0.167 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CC1=O ZINC001077087337 836677474 /nfs/dbraw/zinc/67/74/74/836677474.db2.gz FAHRZEIAPVBDRH-BZUAXINKSA-N 0 3 353.463 -0.167 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O ZINC001077090799 836674483 /nfs/dbraw/zinc/67/44/83/836674483.db2.gz ABGLQJRWCFBCJV-QLFBSQMISA-N 0 3 353.467 -0.953 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O ZINC001077090800 836674644 /nfs/dbraw/zinc/67/46/44/836674644.db2.gz ABGLQJRWCFBCJV-RBSFLKMASA-N 0 3 353.467 -0.953 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC001077090839 836675029 /nfs/dbraw/zinc/67/50/29/836675029.db2.gz BZJFGAPCZYKUPI-BZUAXINKSA-N 0 3 352.479 -0.356 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC001077090840 836674729 /nfs/dbraw/zinc/67/47/29/836674729.db2.gz BZJFGAPCZYKUPI-OWCLPIDISA-N 0 3 352.479 -0.356 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O ZINC001077091257 836675062 /nfs/dbraw/zinc/67/50/62/836675062.db2.gz SMTIMQCYCLVVOD-BZUAXINKSA-N 0 3 350.467 -0.166 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O ZINC001077091258 836675175 /nfs/dbraw/zinc/67/51/75/836675175.db2.gz SMTIMQCYCLVVOD-OWCLPIDISA-N 0 3 350.467 -0.166 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O ZINC001077091367 836674915 /nfs/dbraw/zinc/67/49/15/836674915.db2.gz XJZPQGDPIOMPMH-BZUAXINKSA-N 0 3 352.479 -0.356 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O ZINC001077091368 836675286 /nfs/dbraw/zinc/67/52/86/836675286.db2.gz XJZPQGDPIOMPMH-OWCLPIDISA-N 0 3 352.479 -0.356 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077091380 836675007 /nfs/dbraw/zinc/67/50/07/836675007.db2.gz XPVFRAREXWMBKO-BZUAXINKSA-N 0 3 352.479 -0.357 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077091381 836674412 /nfs/dbraw/zinc/67/44/12/836674412.db2.gz XPVFRAREXWMBKO-OWCLPIDISA-N 0 3 352.479 -0.357 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O ZINC001077092125 836675086 /nfs/dbraw/zinc/67/50/86/836675086.db2.gz FIRBBFQQOHWQJR-QLFBSQMISA-N 0 3 350.467 -0.166 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O ZINC001077092126 836675230 /nfs/dbraw/zinc/67/52/30/836675230.db2.gz FIRBBFQQOHWQJR-RBSFLKMASA-N 0 3 350.467 -0.166 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O ZINC001077092360 836674448 /nfs/dbraw/zinc/67/44/48/836674448.db2.gz QJEIBVRYXFOPEG-BZUAXINKSA-N 0 3 350.467 -0.166 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O ZINC001077092361 836675106 /nfs/dbraw/zinc/67/51/06/836675106.db2.gz QJEIBVRYXFOPEG-OWCLPIDISA-N 0 3 350.467 -0.166 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O ZINC001077092476 836674375 /nfs/dbraw/zinc/67/43/75/836674375.db2.gz VVYCDTFWHSBBNN-BZUAXINKSA-N 0 3 350.467 -0.166 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O ZINC001077092477 836674554 /nfs/dbraw/zinc/67/45/54/836674554.db2.gz VVYCDTFWHSBBNN-OWCLPIDISA-N 0 3 350.467 -0.166 20 0 FBADHN O=C(CN1CCCCCCC1=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001077093441 836675771 /nfs/dbraw/zinc/67/57/71/836675771.db2.gz OYVSTUCKUPHRKQ-ARFHVFGLSA-N 0 3 353.463 -0.023 20 0 FBADHN O=C(CN1CCCCCCC1=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001077093442 836676427 /nfs/dbraw/zinc/67/64/27/836676427.db2.gz OYVSTUCKUPHRKQ-BZUAXINKSA-N 0 3 353.463 -0.023 20 0 FBADHN O=C(CN1CCCS1(=O)=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001077093619 836676470 /nfs/dbraw/zinc/67/64/70/836676470.db2.gz ZBJFMSFEBCJCNH-HUUCEWRRSA-N 0 3 359.492 -0.237 20 0 FBADHN Cc1c(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)nn2c1OCCC2 ZINC001077100172 836679498 /nfs/dbraw/zinc/67/94/98/836679498.db2.gz RLQGVZCHUNVPMW-BFHYXJOUSA-N 0 3 350.419 -0.215 20 0 FBADHN Cc1c(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)nn2c1OCCC2 ZINC001077100173 836679360 /nfs/dbraw/zinc/67/93/60/836679360.db2.gz RLQGVZCHUNVPMW-MGPQQGTHSA-N 0 3 350.419 -0.215 20 0 FBADHN COc1nc(C)ncc1C(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001077100971 836680660 /nfs/dbraw/zinc/68/06/60/836680660.db2.gz GHQONSCWZNBMBO-BPLDGKMQSA-N 0 3 350.419 -0.005 20 0 FBADHN COc1nc(C)ncc1C(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001077100972 836680518 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-0.385 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001077230927 836723556 /nfs/dbraw/zinc/72/35/56/836723556.db2.gz VUQLXASPODNZIY-GZBFAFLISA-N 0 3 350.419 -0.243 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001077230930 836723521 /nfs/dbraw/zinc/72/35/21/836723521.db2.gz VUQLXASPODNZIY-UMVBOHGHSA-N 0 3 350.419 -0.243 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001077231009 836723603 /nfs/dbraw/zinc/72/36/03/836723603.db2.gz WDZFIQUQCVJIQZ-GZBFAFLISA-N 0 3 350.419 -0.385 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001077231010 836723708 /nfs/dbraw/zinc/72/37/08/836723708.db2.gz WDZFIQUQCVJIQZ-UMVBOHGHSA-N 0 3 350.419 -0.385 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001077231011 836723835 /nfs/dbraw/zinc/72/38/35/836723835.db2.gz WGJUVZHWRCFWQM-GZBFAFLISA-N 0 3 350.419 -0.385 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001077231013 836723343 /nfs/dbraw/zinc/72/33/43/836723343.db2.gz WGJUVZHWRCFWQM-UMVBOHGHSA-N 0 3 350.419 -0.385 20 0 FBADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1)OC ZINC001077231242 836723540 /nfs/dbraw/zinc/72/35/40/836723540.db2.gz HNPUSALIFASORL-BPLDGKMQSA-N 0 3 350.419 -0.691 20 0 FBADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1)OC ZINC001077231243 836723674 /nfs/dbraw/zinc/72/36/74/836723674.db2.gz HNPUSALIFASORL-NWANDNLSSA-N 0 3 350.419 -0.691 20 0 FBADHN COc1cc(OC)nc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077234347 836728131 /nfs/dbraw/zinc/72/81/31/836728131.db2.gz DWGLVJIJFWYLGF-IJLUTSLNSA-N 0 3 352.391 -0.695 20 0 FBADHN COc1cc(OC)nc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077234348 836727929 /nfs/dbraw/zinc/72/79/29/836727929.db2.gz DWGLVJIJFWYLGF-QJPTWQEYSA-N 0 3 352.391 -0.695 20 0 FBADHN Cn1ncc(C(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@H]2O)c1Cl ZINC001077235299 836728708 /nfs/dbraw/zinc/72/87/08/836728708.db2.gz HJIIZQOQEFHCSF-CYZMBNFOSA-N 0 3 369.853 -0.235 20 0 FBADHN Cn1ncc(C(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@H]2O)c1Cl ZINC001077235300 836728483 /nfs/dbraw/zinc/72/84/83/836728483.db2.gz HJIIZQOQEFHCSF-RAIGVLPGSA-N 0 3 369.853 -0.235 20 0 FBADHN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001077236984 836727117 /nfs/dbraw/zinc/72/71/17/836727117.db2.gz VDQJJGZEMMQYMH-BZUAXINKSA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001077236985 836726658 /nfs/dbraw/zinc/72/66/58/836726658.db2.gz VDQJJGZEMMQYMH-OWCLPIDISA-N 0 3 352.479 -0.356 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC1=O ZINC001077245217 836730968 /nfs/dbraw/zinc/73/09/68/836730968.db2.gz PYHHAIONEJBWRX-ARFHVFGLSA-N 0 3 353.463 -0.167 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC1=O ZINC001077245218 836730681 /nfs/dbraw/zinc/73/06/81/836730681.db2.gz PYHHAIONEJBWRX-BZUAXINKSA-N 0 3 353.463 -0.167 20 0 FBADHN COCc1nn(C)cc1C(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001077255421 836732026 /nfs/dbraw/zinc/73/20/26/836732026.db2.gz AXFBTJUZDCAQQC-JGGQBBKZSA-N 0 3 352.435 -0.232 20 0 FBADHN COCc1nn(C)cc1C(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001077255422 836731778 /nfs/dbraw/zinc/73/17/78/836731778.db2.gz AXFBTJUZDCAQQC-XNRPHZJLSA-N 0 3 352.435 -0.232 20 0 FBADHN COCc1nn(C)cc1C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O ZINC001077255473 836731877 /nfs/dbraw/zinc/73/18/77/836731877.db2.gz CBCDIEAMRYYGOV-GDBMZVCRSA-N 0 3 352.435 -0.232 20 0 FBADHN COCc1nn(C)cc1C(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O ZINC001077255645 836731850 /nfs/dbraw/zinc/73/18/50/836731850.db2.gz KTDMZEUSSIJCHX-JGGQBBKZSA-N 0 3 352.435 -0.232 20 0 FBADHN COCc1nn(C)cc1C(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O ZINC001077255646 836732233 /nfs/dbraw/zinc/73/22/33/836732233.db2.gz KTDMZEUSSIJCHX-XNRPHZJLSA-N 0 3 352.435 -0.232 20 0 FBADHN COCc1nn(C)cc1C(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001077256048 836733420 /nfs/dbraw/zinc/73/34/20/836733420.db2.gz ZBPWLXWGVHRYCU-JGGQBBKZSA-N 0 3 352.435 -0.090 20 0 FBADHN COCc1nn(C)cc1C(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001077256049 836733691 /nfs/dbraw/zinc/73/36/91/836733691.db2.gz ZBPWLXWGVHRYCU-XNRPHZJLSA-N 0 3 352.435 -0.090 20 0 FBADHN CN1CCN(CC(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)CC1=O ZINC001077260876 836736250 /nfs/dbraw/zinc/73/62/50/836736250.db2.gz ZSMMAJBKSIJKAL-HZPDHXFCSA-N 0 3 352.479 -0.498 20 0 FBADHN Cn1cnn(CC(=O)N[C@@H]2CN(C[C@@H]3CCC(F)(F)C3)C[C@H]2O)c1=O ZINC001077264373 836738240 /nfs/dbraw/zinc/73/82/40/836738240.db2.gz QTLWWMNKZDORKN-IJLUTSLNSA-N 0 3 359.377 -0.822 20 0 FBADHN Cn1cnn(CC(=O)N[C@@H]2CN(C[C@H]3CCC(F)(F)C3)C[C@H]2O)c1=O ZINC001077264374 836737705 /nfs/dbraw/zinc/73/77/05/836737705.db2.gz QTLWWMNKZDORKN-QJPTWQEYSA-N 0 3 359.377 -0.822 20 0 FBADHN Cn1cnn(CC(=O)N[C@@H]2CN(CCCC3CCCC3)C[C@H]2O)c1=O ZINC001077264404 836737950 /nfs/dbraw/zinc/73/79/50/836737950.db2.gz SNXOEQGTHQPBEP-HUUCEWRRSA-N 0 3 351.451 -0.287 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001077269253 836740271 /nfs/dbraw/zinc/74/02/71/836740271.db2.gz TXNQAFOHBHGXQS-BRWVUGGUSA-N 0 3 355.479 -0.315 20 0 FBADHN CCN1CCOC[C@H]1C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001077269254 836739948 /nfs/dbraw/zinc/73/99/48/836739948.db2.gz TXNQAFOHBHGXQS-IXDOHACOSA-N 0 3 355.479 -0.315 20 0 FBADHN CN(C)Cc1cc(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)no1 ZINC001077275173 836740341 /nfs/dbraw/zinc/74/03/41/836740341.db2.gz UYIYPMNLQJKKJY-APHBMKBZSA-N 0 3 352.435 -0.062 20 0 FBADHN CN(C)Cc1cc(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@H]2O)no1 ZINC001077275174 836739844 /nfs/dbraw/zinc/73/98/44/836739844.db2.gz UYIYPMNLQJKKJY-DAXOMENPSA-N 0 3 352.435 -0.062 20 0 FBADHN CN(C)Cc1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@H]2O)no1 ZINC001077275199 836740796 /nfs/dbraw/zinc/74/07/96/836740796.db2.gz VYGDKXHPYBALIC-APHBMKBZSA-N 0 3 352.435 -0.062 20 0 FBADHN CN(C)Cc1cc(C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@H]2O)no1 ZINC001077275200 836740062 /nfs/dbraw/zinc/74/00/62/836740062.db2.gz VYGDKXHPYBALIC-DAXOMENPSA-N 0 3 352.435 -0.062 20 0 FBADHN CN(C)Cc1cc(C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@H]2O)no1 ZINC001077275259 836740319 /nfs/dbraw/zinc/74/03/19/836740319.db2.gz YJVSSHKNESPNHC-HZPDHXFCSA-N 0 3 352.435 -0.062 20 0 FBADHN O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001077279545 836743059 /nfs/dbraw/zinc/74/30/59/836743059.db2.gz NTWLTZCQRNCGMO-ARFHVFGLSA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001077279546 836743026 /nfs/dbraw/zinc/74/30/26/836743026.db2.gz NTWLTZCQRNCGMO-BZUAXINKSA-N 0 3 353.463 -0.119 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001077280512 836742745 /nfs/dbraw/zinc/74/27/45/836742745.db2.gz BCEOEYDDLKNACB-QLFBSQMISA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001077280513 836742809 /nfs/dbraw/zinc/74/28/09/836742809.db2.gz BCEOEYDDLKNACB-RBSFLKMASA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001077280514 836742339 /nfs/dbraw/zinc/74/23/39/836742339.db2.gz BCJXRSIBOWTLNF-BZUAXINKSA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001077280515 836742873 /nfs/dbraw/zinc/74/28/73/836742873.db2.gz BCJXRSIBOWTLNF-OWCLPIDISA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001077280690 836742765 /nfs/dbraw/zinc/74/27/65/836742765.db2.gz IHYRYXNMKPUCOZ-BZUAXINKSA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001077280691 836742300 /nfs/dbraw/zinc/74/23/00/836742300.db2.gz IHYRYXNMKPUCOZ-OWCLPIDISA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077281002 836743604 /nfs/dbraw/zinc/74/36/04/836743604.db2.gz SUVPHLIJPATSFI-BZUAXINKSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077281003 836744490 /nfs/dbraw/zinc/74/44/90/836744490.db2.gz SUVPHLIJPATSFI-OWCLPIDISA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077281025 836743964 /nfs/dbraw/zinc/74/39/64/836743964.db2.gz UFFQTUYHNJTLGW-BZUAXINKSA-N 0 3 352.479 -0.500 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077281026 836743827 /nfs/dbraw/zinc/74/38/27/836743827.db2.gz UFFQTUYHNJTLGW-OWCLPIDISA-N 0 3 352.479 -0.500 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001077281033 836744557 /nfs/dbraw/zinc/74/45/57/836744557.db2.gz UNRSKCRADFPCKM-BZUAXINKSA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001077281034 836744076 /nfs/dbraw/zinc/74/40/76/836744076.db2.gz UNRSKCRADFPCKM-OWCLPIDISA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001077281056 836744049 /nfs/dbraw/zinc/74/40/49/836744049.db2.gz VEJHLWOPQSZTSX-QLFBSQMISA-N 0 3 350.467 -0.403 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O=C(N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077417826 836788155 /nfs/dbraw/zinc/78/81/55/836788155.db2.gz BLLNEDKFPUNNGE-YGFYLSKRSA-N 0 3 363.380 -0.037 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cncs2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077417834 836788284 /nfs/dbraw/zinc/78/82/84/836788284.db2.gz BOGBTPXMHGPZSC-AAGJERLFSA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cncs2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077417835 836787949 /nfs/dbraw/zinc/78/79/49/836787949.db2.gz BOGBTPXMHGPZSC-PINPWASSSA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2nccs2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077417907 836787612 /nfs/dbraw/zinc/78/76/12/836787612.db2.gz DBKKQQSQSXGKSQ-DEWJTKQSSA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2nccs2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077417908 836788418 /nfs/dbraw/zinc/78/84/18/836788418.db2.gz DBKKQQSQSXGKSQ-JEFPAAPESA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2nncs2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077417923 836787855 /nfs/dbraw/zinc/78/78/55/836787855.db2.gz DPVXAMIEQZRIKU-BIWMVHNJSA-N 0 3 365.459 -0.937 20 0 FBADHN O=C(N[C@@H]1CN(Cc2nncs2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077417924 836788332 /nfs/dbraw/zinc/78/83/32/836788332.db2.gz DPVXAMIEQZRIKU-VECWZWDRSA-N 0 3 365.459 -0.937 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cnsn2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418024 836787901 /nfs/dbraw/zinc/78/79/01/836787901.db2.gz GUWBCBKRXSFQOH-JBDBUSFZSA-N 0 3 365.459 -0.937 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cnsn2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418025 836787453 /nfs/dbraw/zinc/78/74/53/836787453.db2.gz GUWBCBKRXSFQOH-TUWFXWMISA-N 0 3 365.459 -0.937 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cnns2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418096 836788106 /nfs/dbraw/zinc/78/81/06/836788106.db2.gz IOYBKTMBMMLHMY-JBDBUSFZSA-N 0 3 365.459 -0.937 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cnns2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418097 836787679 /nfs/dbraw/zinc/78/76/79/836787679.db2.gz IOYBKTMBMMLHMY-TUWFXWMISA-N 0 3 365.459 -0.937 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cscn2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418338 836788396 /nfs/dbraw/zinc/78/83/96/836788396.db2.gz ODJGUQMATAOBFU-AAGJERLFSA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2cscn2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418339 836787586 /nfs/dbraw/zinc/78/75/86/836787586.db2.gz ODJGUQMATAOBFU-PINPWASSSA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2ccns2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418538 836787559 /nfs/dbraw/zinc/78/75/59/836787559.db2.gz TZDLDKORYWJTRG-AAGJERLFSA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2ccns2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418539 836787544 /nfs/dbraw/zinc/78/75/44/836787544.db2.gz TZDLDKORYWJTRG-PINPWASSSA-N 0 3 364.471 -0.332 20 0 FBADHN O=C(N[C@@H]1CN(Cc2csnn2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418727 836788313 /nfs/dbraw/zinc/78/83/13/836788313.db2.gz YOCVNJISNAGOAM-JBDBUSFZSA-N 0 3 365.459 -0.937 20 0 FBADHN O=C(N[C@@H]1CN(Cc2csnn2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418728 836787778 /nfs/dbraw/zinc/78/77/78/836787778.db2.gz YOCVNJISNAGOAM-TUWFXWMISA-N 0 3 365.459 -0.937 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(C[C@@H](OC)C3CCC3)C[C@H]2O)nn1 ZINC001077426774 836814028 /nfs/dbraw/zinc/81/40/28/836814028.db2.gz BKLFEPDOFAJBSO-BZUAXINKSA-N 0 3 351.451 -0.183 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(C[C@H](OC)C3CCC3)C[C@H]2O)nn1 ZINC001077426775 836814729 /nfs/dbraw/zinc/81/47/29/836814729.db2.gz BKLFEPDOFAJBSO-OAGGEKHMSA-N 0 3 351.451 -0.183 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)Cc3cn(CC)nn3)C2)C1 ZINC001077426796 836815450 /nfs/dbraw/zinc/81/54/50/836815450.db2.gz CNPFBGLRTZGRON-AHNOJICISA-N 0 3 351.451 -0.183 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)nn1 ZINC001077426900 836815552 /nfs/dbraw/zinc/81/55/52/836815552.db2.gz HYCHHXVPLPMBND-FVQBIDKESA-N 0 3 351.451 -0.182 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)nn1 ZINC001077426901 836815401 /nfs/dbraw/zinc/81/54/01/836815401.db2.gz HYCHHXVPLPMBND-NUEKZKHPSA-N 0 3 351.451 -0.182 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)nn1 ZINC001077426971 836815430 /nfs/dbraw/zinc/81/54/30/836815430.db2.gz LVFYYZKSHTYCLA-ARFHVFGLSA-N 0 3 351.451 -0.039 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)nn1 ZINC001077426972 836815262 /nfs/dbraw/zinc/81/52/62/836815262.db2.gz LVFYYZKSHTYCLA-BZUAXINKSA-N 0 3 351.451 -0.039 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)nn1 ZINC001077427110 836815999 /nfs/dbraw/zinc/81/59/99/836815999.db2.gz SLLRRWQKELXVAQ-HZPDHXFCSA-N 0 3 351.451 -0.182 20 0 FBADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001077430201 836829484 /nfs/dbraw/zinc/82/94/84/836829484.db2.gz BMYYMYBBEGOEJG-VQHPVUNQSA-N 0 3 353.463 -0.563 20 0 FBADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001077430546 836829790 /nfs/dbraw/zinc/82/97/90/836829790.db2.gz PLBWZJODSYFMDQ-VQHPVUNQSA-N 0 3 355.479 -0.172 20 0 FBADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001077430690 836828967 /nfs/dbraw/zinc/82/89/67/836828967.db2.gz VUIGSLHGJKDQNQ-VQHPVUNQSA-N 0 3 355.479 -0.317 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CNC(=O)C1 ZINC001077435305 836842565 /nfs/dbraw/zinc/84/25/65/836842565.db2.gz HYXBKGCDEXMJLS-IIDMSEBBSA-N 0 3 353.463 -0.119 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CNC(=O)C1 ZINC001077435306 836842890 /nfs/dbraw/zinc/84/28/90/836842890.db2.gz HYXBKGCDEXMJLS-RKVPGOIHSA-N 0 3 353.463 -0.119 20 0 FBADHN NC(=O)c1cc(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)co1 ZINC001077444050 836864412 /nfs/dbraw/zinc/86/44/12/836864412.db2.gz IOKVCECANYTJGW-ZIAGYGMSSA-N 0 3 351.403 -0.030 20 0 FBADHN O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1)NC1CC1 ZINC001077444161 836865830 /nfs/dbraw/zinc/86/58/30/836865830.db2.gz NJDNBIZLPRFJSZ-BFYDXBDKSA-N 0 3 350.463 -0.699 20 0 FBADHN O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1)NC1CC1 ZINC001077444162 836865327 /nfs/dbraw/zinc/86/53/27/836865327.db2.gz NJDNBIZLPRFJSZ-INMHGKMJSA-N 0 3 350.463 -0.699 20 0 FBADHN O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1)N1CCC1 ZINC001077444354 836865243 /nfs/dbraw/zinc/86/52/43/836865243.db2.gz VFVZVTQAXYZQQL-BFYDXBDKSA-N 0 3 350.463 -0.746 20 0 FBADHN O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1)N1CCC1 ZINC001077444355 836865954 /nfs/dbraw/zinc/86/59/54/836865954.db2.gz VFVZVTQAXYZQQL-INMHGKMJSA-N 0 3 350.463 -0.746 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)[C@@H]1CCNC(=O)CC1 ZINC001077450756 836873665 /nfs/dbraw/zinc/87/36/65/836873665.db2.gz YBJKPKBRTSVPAI-ARFHVFGLSA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)[C@H]1CCNC(=O)CC1 ZINC001077450759 836873215 /nfs/dbraw/zinc/87/32/15/836873215.db2.gz YBJKPKBRTSVPAI-BZUAXINKSA-N 0 3 353.463 -0.119 20 0 FBADHN COc1nc(C(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@H]2O)co1 ZINC001077456091 836886831 /nfs/dbraw/zinc/88/68/31/836886831.db2.gz XIMVDMQRCBEKIW-DMDPSCGWSA-N 0 3 352.391 -0.626 20 0 FBADHN COc1nc(C(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@H]2O)co1 ZINC001077456092 836887329 /nfs/dbraw/zinc/88/73/29/836887329.db2.gz XIMVDMQRCBEKIW-NQBHXWOUSA-N 0 3 352.391 -0.626 20 0 FBADHN C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077481789 836933590 /nfs/dbraw/zinc/93/35/90/836933590.db2.gz GTKCFNFWZNOAPV-JHJVBQTASA-N 0 3 351.382 -0.595 20 0 FBADHN C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077481790 836933396 /nfs/dbraw/zinc/93/33/96/836933396.db2.gz GTKCFNFWZNOAPV-YNEHKIRRSA-N 0 3 351.382 -0.595 20 0 FBADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1)OC ZINC001077487987 836954598 /nfs/dbraw/zinc/95/45/98/836954598.db2.gz UXYSZBHYSSABAE-BFHYXJOUSA-N 0 3 352.435 -0.403 20 0 FBADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1)OC ZINC001077487988 836954243 /nfs/dbraw/zinc/95/42/43/836954243.db2.gz UXYSZBHYSSABAE-MGPQQGTHSA-N 0 3 352.435 -0.403 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)c1=O ZINC001077498405 836958998 /nfs/dbraw/zinc/95/89/98/836958998.db2.gz IBCXAPTWHJOMTP-ZIAGYGMSSA-N 0 3 350.419 -0.159 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(CCc3cccs3)C[C@H]2O)c1=O ZINC001077498587 836958962 /nfs/dbraw/zinc/95/89/62/836958962.db2.gz MVLXKVJQHAHYCC-CHWSQXEVSA-N 0 3 364.427 -0.435 20 0 FBADHN CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001077500476 836961330 /nfs/dbraw/zinc/96/13/30/836961330.db2.gz ISNADKYOMHVLPB-ARFHVFGLSA-N 0 3 353.463 -0.025 20 0 FBADHN CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001077500477 836960995 /nfs/dbraw/zinc/96/09/95/836960995.db2.gz ISNADKYOMHVLPB-BZUAXINKSA-N 0 3 353.463 -0.025 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077503741 836965203 /nfs/dbraw/zinc/96/52/03/836965203.db2.gz BGKDFPDCTUKNGF-BPLDGKMQSA-N 0 3 352.479 -0.311 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077503742 836964640 /nfs/dbraw/zinc/96/46/40/836964640.db2.gz BGKDFPDCTUKNGF-NWANDNLSSA-N 0 3 352.479 -0.311 20 0 FBADHN CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1)C1CC1 ZINC001077503773 836965060 /nfs/dbraw/zinc/96/50/60/836965060.db2.gz CLLNPXVXUDSJLV-HUUCEWRRSA-N 0 3 352.479 -0.357 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O)N1CCCC1 ZINC001077503788 836965106 /nfs/dbraw/zinc/96/51/06/836965106.db2.gz DLHPDTPOUPYBMH-HUUCEWRRSA-N 0 3 352.479 -0.356 20 0 FBADHN CCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077503882 836964684 /nfs/dbraw/zinc/96/46/84/836964684.db2.gz KFEREKFCLFAZJY-ZIAGYGMSSA-N 0 3 350.467 -0.166 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O)N1CCCC1 ZINC001077504142 836964734 /nfs/dbraw/zinc/96/47/34/836964734.db2.gz YIUJZUQZEHLNMZ-HUUCEWRRSA-N 0 3 352.479 -0.356 20 0 FBADHN C[C@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077504864 836965845 /nfs/dbraw/zinc/96/58/45/836965845.db2.gz BYMABYLGFXGSAO-JHJVBQTASA-N 0 3 351.455 -0.693 20 0 FBADHN C[C@@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077504865 836966355 /nfs/dbraw/zinc/96/63/55/836966355.db2.gz BYMABYLGFXGSAO-YNEHKIRRSA-N 0 3 351.455 -0.693 20 0 FBADHN CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)nn1 ZINC001077504928 836966192 /nfs/dbraw/zinc/96/61/92/836966192.db2.gz FLXVHANEWHARTJ-HUUCEWRRSA-N 0 3 350.467 -0.166 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O)N1CCCC1 ZINC001077505035 836966338 /nfs/dbraw/zinc/96/63/38/836966338.db2.gz LEBGCWMIKWWHGJ-ZIAGYGMSSA-N 0 3 353.467 -0.953 20 0 FBADHN CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)n1 ZINC001077505129 836966072 /nfs/dbraw/zinc/96/60/72/836966072.db2.gz PQBUFIJJONPKKP-HUUCEWRRSA-N 0 3 350.467 -0.166 20 0 FBADHN CN1CCC[C@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1=O ZINC001077505169 836965883 /nfs/dbraw/zinc/96/58/83/836965883.db2.gz RDDYFNUCMXYGGG-QLFBSQMISA-N 0 3 352.479 -0.357 20 0 FBADHN CN1CCC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1=O ZINC001077505170 836966233 /nfs/dbraw/zinc/96/62/33/836966233.db2.gz RDDYFNUCMXYGGG-RBSFLKMASA-N 0 3 352.479 -0.357 20 0 FBADHN CCn1nncc1CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077505226 836966369 /nfs/dbraw/zinc/96/63/69/836966369.db2.gz VQJYYUHQSJNDQM-HUUCEWRRSA-N 0 3 350.467 -0.166 20 0 FBADHN C[C@@H](c1nncn1C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077505287 836966423 /nfs/dbraw/zinc/96/64/23/836966423.db2.gz YDIKNXCOCQRZMK-BFHYXJOUSA-N 0 3 350.467 -0.088 20 0 FBADHN C[C@H](c1nncn1C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001077505288 836965818 /nfs/dbraw/zinc/96/58/18/836965818.db2.gz YDIKNXCOCQRZMK-MGPQQGTHSA-N 0 3 350.467 -0.088 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1=O ZINC001077505309 836966298 /nfs/dbraw/zinc/96/62/98/836966298.db2.gz ZIOJUUKLKCBKLJ-QLFBSQMISA-N 0 3 352.479 -0.357 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1=O ZINC001077505310 836966154 /nfs/dbraw/zinc/96/61/54/836966154.db2.gz ZIOJUUKLKCBKLJ-RBSFLKMASA-N 0 3 352.479 -0.357 20 0 FBADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001077507904 836968852 /nfs/dbraw/zinc/96/88/52/836968852.db2.gz CJLCOSRPHCYPPC-HZPDHXFCSA-N 0 3 352.479 -0.450 20 0 FBADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001077507905 836968749 /nfs/dbraw/zinc/96/87/49/836968749.db2.gz CNWXAZFHXUXDBR-JHJVBQTASA-N 0 3 360.405 -0.985 20 0 FBADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001077507906 836968828 /nfs/dbraw/zinc/96/88/28/836968828.db2.gz CNWXAZFHXUXDBR-YNEHKIRRSA-N 0 3 360.405 -0.985 20 0 FBADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001077507938 836968975 /nfs/dbraw/zinc/96/89/75/836968975.db2.gz DPXPGHDCSTZPLJ-HZPDHXFCSA-N 0 3 350.463 -0.530 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)NC1=O ZINC001077509925 836973373 /nfs/dbraw/zinc/97/33/73/836973373.db2.gz AGOITJNVDBAREY-QLFBSQMISA-N 0 3 354.451 -0.622 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)NC1=O ZINC001077509926 836973519 /nfs/dbraw/zinc/97/35/19/836973519.db2.gz AGOITJNVDBAREY-RBSFLKMASA-N 0 3 354.451 -0.622 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2O)NC1=O ZINC001077510088 836973261 /nfs/dbraw/zinc/97/32/61/836973261.db2.gz HJWGCVDIUIIDOW-FRRDWIJNSA-N 0 3 360.405 -0.003 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2O)NC1=O ZINC001077510089 836973057 /nfs/dbraw/zinc/97/30/57/836973057.db2.gz HJWGCVDIUIIDOW-JHJVBQTASA-N 0 3 360.405 -0.003 20 0 FBADHN Cn1c(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@H]2O)c[nH]c1=O ZINC001077514204 836982525 /nfs/dbraw/zinc/98/25/25/836982525.db2.gz PCQVALNMSOZXIK-BPLDGKMQSA-N 0 3 352.435 -0.158 20 0 FBADHN Cn1c(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@H]2O)c[nH]c1=O ZINC001077514206 836982707 /nfs/dbraw/zinc/98/27/07/836982707.db2.gz PCQVALNMSOZXIK-VHDGCEQUSA-N 0 3 352.435 -0.158 20 0 FBADHN CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC001077521783 837007485 /nfs/dbraw/zinc/00/74/85/837007485.db2.gz QHSQQSBCPDDNOV-OWCLPIDISA-N 0 3 353.463 -0.025 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1=O ZINC001077534860 837059007 /nfs/dbraw/zinc/05/90/07/837059007.db2.gz MGSUSGWIKVIPCT-ARFHVFGLSA-N 0 3 353.463 -0.167 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1=O ZINC001077534861 837059311 /nfs/dbraw/zinc/05/93/11/837059311.db2.gz MGSUSGWIKVIPCT-BZUAXINKSA-N 0 3 353.463 -0.167 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001077542186 837095076 /nfs/dbraw/zinc/09/50/76/837095076.db2.gz NGSAAHYNNUWHPY-CKYFFXLPSA-N 0 3 354.432 -0.460 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001077542187 837095959 /nfs/dbraw/zinc/09/59/59/837095959.db2.gz NGSAAHYNNUWHPY-HOSYDEDBSA-N 0 3 354.432 -0.460 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CCC(=O)NC1 ZINC001077549767 837143097 /nfs/dbraw/zinc/14/30/97/837143097.db2.gz CICGNUHONNGSFJ-IIDMSEBBSA-N 0 3 353.463 -0.119 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CCC(=O)NC1 ZINC001077549768 837143033 /nfs/dbraw/zinc/14/30/33/837143033.db2.gz CICGNUHONNGSFJ-RKVPGOIHSA-N 0 3 353.463 -0.119 20 0 FBADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001077555150 837154016 /nfs/dbraw/zinc/15/40/16/837154016.db2.gz AEEREISZYZIZOF-BZUAXINKSA-N 0 3 352.479 -0.309 20 0 FBADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001077555151 837153761 /nfs/dbraw/zinc/15/37/61/837153761.db2.gz AEEREISZYZIZOF-OWCLPIDISA-N 0 3 352.479 -0.309 20 0 FBADHN CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC001077558777 837158129 /nfs/dbraw/zinc/15/81/29/837158129.db2.gz QHSQQSBCPDDNOV-BZUAXINKSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)C1 ZINC001077566786 837179053 /nfs/dbraw/zinc/17/90/53/837179053.db2.gz OAADXIYWVHUXTC-BZUAXINKSA-N 0 3 351.451 -0.846 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)C1 ZINC001077566787 837178982 /nfs/dbraw/zinc/17/89/82/837178982.db2.gz OAADXIYWVHUXTC-OAGGEKHMSA-N 0 3 351.451 -0.846 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(CCOC3CCC3)C[C@H]2O)C1 ZINC001077566803 837179149 /nfs/dbraw/zinc/17/91/49/837179149.db2.gz ONYLXJQFADSEKM-BRWVUGGUSA-N 0 3 355.479 -0.174 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(CCOC3CCC3)C[C@H]2O)C1 ZINC001077566804 837179587 /nfs/dbraw/zinc/17/95/87/837179587.db2.gz ONYLXJQFADSEKM-ZACQAIPSSA-N 0 3 355.479 -0.174 20 0 FBADHN NC(=O)Cc1occc1C(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001077578443 837207294 /nfs/dbraw/zinc/20/72/94/837207294.db2.gz DAESEHDGVYMHSM-IACUBPJLSA-N 0 3 351.403 -0.491 20 0 FBADHN NC(=O)Cc1occc1C(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001077578444 837207210 /nfs/dbraw/zinc/20/72/10/837207210.db2.gz DAESEHDGVYMHSM-MRVWCRGKSA-N 0 3 351.403 -0.491 20 0 FBADHN NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O ZINC001077578667 837208142 /nfs/dbraw/zinc/20/81/42/837208142.db2.gz PLJWWJVMZHXZAE-IACUBPJLSA-N 0 3 351.403 -0.491 20 0 FBADHN NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O ZINC001077578668 837208742 /nfs/dbraw/zinc/20/87/42/837208742.db2.gz PLJWWJVMZHXZAE-MRVWCRGKSA-N 0 3 351.403 -0.491 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077584966 837229476 /nfs/dbraw/zinc/22/94/76/837229476.db2.gz LMWSKLSMJNLSBF-QLFBSQMISA-N 0 3 350.419 -0.514 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077584967 837229038 /nfs/dbraw/zinc/22/90/38/837229038.db2.gz LMWSKLSMJNLSBF-RBSFLKMASA-N 0 3 350.419 -0.514 20 0 FBADHN O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586379 837234616 /nfs/dbraw/zinc/23/46/16/837234616.db2.gz UPVNAEQJSXUMQX-HUUCEWRRSA-N 0 3 350.419 -0.248 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)C1CCCC1 ZINC001077586395 837234801 /nfs/dbraw/zinc/23/48/01/837234801.db2.gz VKOWGZVNYXCWTH-KFWWJZLASA-N 0 3 350.419 -0.250 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)C1CCCC1 ZINC001077586396 837234859 /nfs/dbraw/zinc/23/48/59/837234859.db2.gz VKOWGZVNYXCWTH-RBSFLKMASA-N 0 3 350.419 -0.250 20 0 FBADHN Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)C3=NC(=O)N(C)C3)C2)n1 ZINC001077625088 837255812 /nfs/dbraw/zinc/25/58/12/837255812.db2.gz QBVLDMNBFFIFRD-ZYHUDNBSSA-N 0 3 350.379 -0.775 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@H]2O)[nH]c1=O ZINC001077625200 837256268 /nfs/dbraw/zinc/25/62/68/837256268.db2.gz VFDGCLIUCZBZDM-BPLDGKMQSA-N 0 3 352.435 -0.158 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@H]2O)[nH]c1=O ZINC001077625201 837256076 /nfs/dbraw/zinc/25/60/76/837256076.db2.gz VFDGCLIUCZBZDM-VHDGCEQUSA-N 0 3 352.435 -0.158 20 0 FBADHN Cc1nc(CCN2C[C@@H](O)[C@H](NC(=O)C3=NC(=O)N(C)C3)C2)cs1 ZINC001077625277 837257650 /nfs/dbraw/zinc/25/76/50/837257650.db2.gz ZLJDWNMAYSMFAX-DGCLKSJQSA-N 0 3 351.432 -0.092 20 0 FBADHN O=C(CC1=CCOCC1)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077628448 837259973 /nfs/dbraw/zinc/25/99/73/837259973.db2.gz BOFCYZBKKIRYSA-ARFHVFGLSA-N 0 3 351.447 -0.199 20 0 FBADHN O=C(CC1=CCOCC1)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077628449 837259472 /nfs/dbraw/zinc/25/94/72/837259472.db2.gz BOFCYZBKKIRYSA-BZUAXINKSA-N 0 3 351.447 -0.199 20 0 FBADHN CC(C)(C)N1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3[nH]ncc3F)C2)C1=O ZINC001077630849 837259016 /nfs/dbraw/zinc/25/90/16/837259016.db2.gz DQAPPSIAEVKVKA-GRYCIOLGSA-N 0 3 353.398 -0.277 20 0 FBADHN CC(C)(C)N1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3[nH]ncc3F)C2)C1=O ZINC001077630850 837259078 /nfs/dbraw/zinc/25/90/78/837259078.db2.gz DQAPPSIAEVKVKA-IJLUTSLNSA-N 0 3 353.398 -0.277 20 0 FBADHN C[C@@H](C(=O)N1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001077631130 837260365 /nfs/dbraw/zinc/26/03/65/837260365.db2.gz QWODMTVYDZXPPK-CYZMBNFOSA-N 0 3 353.398 -0.275 20 0 FBADHN C[C@H](C(=O)N1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001077631131 837259365 /nfs/dbraw/zinc/25/93/65/837259365.db2.gz QWODMTVYDZXPPK-RAIGVLPGSA-N 0 3 353.398 -0.275 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001077631199 837258920 /nfs/dbraw/zinc/25/89/20/837258920.db2.gz VHKGONZYOFKHJD-GHMZBOCLSA-N 0 3 355.395 -0.444 20 0 FBADHN O=C(N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O)c1[nH]ncc1F ZINC001077633942 837261677 /nfs/dbraw/zinc/26/16/77/837261677.db2.gz JBBUQZMGGNNMFZ-VXGBXAGGSA-N 0 3 360.411 -0.852 20 0 FBADHN NC(=O)c1coc(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)c1 ZINC001077657866 837271834 /nfs/dbraw/zinc/27/18/34/837271834.db2.gz ZHORGUFYRFXMRB-ZIAGYGMSSA-N 0 3 351.403 -0.030 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CCNC1=O ZINC001077667116 837274420 /nfs/dbraw/zinc/27/44/20/837274420.db2.gz OSBBHDLCIJDOPX-IIDMSEBBSA-N 0 3 353.463 -0.119 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CCNC1=O ZINC001077667117 837274050 /nfs/dbraw/zinc/27/40/50/837274050.db2.gz OSBBHDLCIJDOPX-RKVPGOIHSA-N 0 3 353.463 -0.119 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@H]2O)O1 ZINC001077668853 837276611 /nfs/dbraw/zinc/27/66/11/837276611.db2.gz VJEDOXLWEPYWDL-APIJFGDWSA-N 0 3 351.447 -0.239 20 0 FBADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001077668914 837276238 /nfs/dbraw/zinc/27/62/38/837276238.db2.gz ZKVYSVZSCLBQSP-LVQVYYBASA-N 0 3 353.463 -0.026 20 0 FBADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001077668925 837275996 /nfs/dbraw/zinc/27/59/96/837275996.db2.gz ZZSQMVJOFJLCPT-LVQVYYBASA-N 0 3 351.447 -0.272 20 0 FBADHN Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)CN3CCC[C@H]3C)C2)n1 ZINC001077674330 837276876 /nfs/dbraw/zinc/27/68/76/837276876.db2.gz QRMFVDNSDAKEBE-BPLDGKMQSA-N 0 3 351.451 -0.044 20 0 FBADHN Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001077674331 837276105 /nfs/dbraw/zinc/27/61/05/837276105.db2.gz QRMFVDNSDAKEBE-NWANDNLSSA-N 0 3 351.451 -0.044 20 0 FBADHN C[C@H]1CCCN1CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001077675123 837278142 /nfs/dbraw/zinc/27/81/42/837278142.db2.gz BPFOYBAFYJXKDB-ARFHVFGLSA-N 0 3 352.479 -0.356 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001077675124 837278233 /nfs/dbraw/zinc/27/82/33/837278233.db2.gz BPFOYBAFYJXKDB-BZUAXINKSA-N 0 3 352.479 -0.356 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)CN3CCC[C@@H]3C)C2)n1 ZINC001077675420 837278581 /nfs/dbraw/zinc/27/85/81/837278581.db2.gz MYVUQSGPEXROSK-APHBMKBZSA-N 0 3 350.467 -0.459 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)CN3CCC[C@H]3C)C2)n1 ZINC001077675421 837278026 /nfs/dbraw/zinc/27/80/26/837278026.db2.gz MYVUQSGPEXROSK-DAXOMENPSA-N 0 3 350.467 -0.459 20 0 FBADHN Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001077678517 837280466 /nfs/dbraw/zinc/28/04/66/837280466.db2.gz LIROQQAFCPGZTB-TVYUQYBPSA-N 0 3 351.407 -0.695 20 0 FBADHN CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)CN3CC[C@H](C)C3)C2)[nH]1 ZINC001077679045 837279928 /nfs/dbraw/zinc/27/99/28/837279928.db2.gz FSHCISFACHMVBQ-BFHYXJOUSA-N 0 3 350.467 -0.069 20 0 FBADHN CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)[nH]1 ZINC001077679046 837279971 /nfs/dbraw/zinc/27/99/71/837279971.db2.gz FSHCISFACHMVBQ-MGPQQGTHSA-N 0 3 350.467 -0.069 20 0 FBADHN Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC001077679208 837279607 /nfs/dbraw/zinc/27/96/07/837279607.db2.gz KCAMQWJJNCEHMR-BPLDGKMQSA-N 0 3 351.451 -0.186 20 0 FBADHN Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)CN3CC[C@H](C)C3)C2)n1 ZINC001077679209 837281169 /nfs/dbraw/zinc/28/11/69/837281169.db2.gz KCAMQWJJNCEHMR-NWANDNLSSA-N 0 3 351.451 -0.186 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)CN3CC[C@H](C)C3)C2)n1 ZINC001077679443 837282501 /nfs/dbraw/zinc/28/25/01/837282501.db2.gz RGURVBXDMCIUEI-APHBMKBZSA-N 0 3 350.467 -0.602 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC001077679444 837282441 /nfs/dbraw/zinc/28/24/41/837282441.db2.gz RGURVBXDMCIUEI-DAXOMENPSA-N 0 3 350.467 -0.602 20 0 FBADHN CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001077680398 837283115 /nfs/dbraw/zinc/28/31/15/837283115.db2.gz DJRJELUPLFWQTF-PBFPGSCMSA-N 0 3 358.458 -0.552 20 0 FBADHN CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001077680399 837283454 /nfs/dbraw/zinc/28/34/54/837283454.db2.gz DJRJELUPLFWQTF-XNJGSVPQSA-N 0 3 358.458 -0.552 20 0 FBADHN C[C@H]1CCN(CC(=O)N[C@@H]2CN(CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680437 837283235 /nfs/dbraw/zinc/28/32/35/837283235.db2.gz GPCYFJXOQUYWHG-ARFHVFGLSA-N 0 3 352.479 -0.498 20 0 FBADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077680438 837283013 /nfs/dbraw/zinc/28/30/13/837283013.db2.gz GPCYFJXOQUYWHG-BZUAXINKSA-N 0 3 352.479 -0.498 20 0 FBADHN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)C1 ZINC001077680692 837282072 /nfs/dbraw/zinc/28/20/72/837282072.db2.gz SOMINDCNEURPDK-IOASZLSFSA-N 0 3 355.414 -0.057 20 0 FBADHN CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)C1 ZINC001077680693 837281626 /nfs/dbraw/zinc/28/16/26/837281626.db2.gz SOMINDCNEURPDK-XJKCOSOUSA-N 0 3 355.414 -0.057 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001077687464 837284583 /nfs/dbraw/zinc/28/45/83/837284583.db2.gz NOTCVDOCACLSGD-ZJIFWQFVSA-N 0 3 353.463 -0.311 20 0 FBADHN NC(=O)c1ccc(C(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001077689257 837285957 /nfs/dbraw/zinc/28/59/57/837285957.db2.gz BGCGEPALYZIBPF-KCPJHIHWSA-N 0 3 350.419 -0.295 20 0 FBADHN NC(=O)c1ccc(C(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001077689258 837285513 /nfs/dbraw/zinc/28/55/13/837285513.db2.gz BGCGEPALYZIBPF-NILFDRSVSA-N 0 3 350.419 -0.295 20 0 FBADHN NC(=O)c1ccc(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)[nH]1 ZINC001077689387 837285372 /nfs/dbraw/zinc/28/53/72/837285372.db2.gz JWQSPZBDKQIDCX-HUUCEWRRSA-N 0 3 350.419 -0.295 20 0 FBADHN NC(=O)c1ccc(C(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)[nH]1 ZINC001077689464 837286378 /nfs/dbraw/zinc/28/63/78/837286378.db2.gz NENCRUQXSRPJBZ-KCPJHIHWSA-N 0 3 350.419 -0.152 20 0 FBADHN NC(=O)c1ccc(C(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)[nH]1 ZINC001077689465 837285320 /nfs/dbraw/zinc/28/53/20/837285320.db2.gz NENCRUQXSRPJBZ-NILFDRSVSA-N 0 3 350.419 -0.152 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC001077689500 837285468 /nfs/dbraw/zinc/28/54/68/837285468.db2.gz OZXDPUOBYXIKCT-FWFPMQDGSA-N 0 3 350.419 -0.296 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001077689531 837285416 /nfs/dbraw/zinc/28/54/16/837285416.db2.gz QXTIHNSTXQFEJD-QKPAOTATSA-N 0 3 353.463 -0.134 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1)C1CCC1 ZINC001077689558 837285877 /nfs/dbraw/zinc/28/58/77/837285877.db2.gz RVRSHWZFJWYEPD-KFWWJZLASA-N 0 3 350.419 -0.296 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1)C1CCC1 ZINC001077689559 837285669 /nfs/dbraw/zinc/28/56/69/837285669.db2.gz RVRSHWZFJWYEPD-RBSFLKMASA-N 0 3 350.419 -0.296 20 0 FBADHN COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001077694858 837288271 /nfs/dbraw/zinc/28/82/71/837288271.db2.gz LWSANWXAGGGGII-IACUBPJLSA-N 0 3 351.403 -0.003 20 0 FBADHN COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001077694859 837288068 /nfs/dbraw/zinc/28/80/68/837288068.db2.gz LWSANWXAGGGGII-MRVWCRGKSA-N 0 3 351.403 -0.003 20 0 FBADHN Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001077707321 837290945 /nfs/dbraw/zinc/29/09/45/837290945.db2.gz ABVRNKNLJPNERE-IACUBPJLSA-N 0 3 350.419 -0.838 20 0 FBADHN Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001077707322 837290732 /nfs/dbraw/zinc/29/07/32/837290732.db2.gz ABVRNKNLJPNERE-MRVWCRGKSA-N 0 3 350.419 -0.838 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001077745751 837293747 /nfs/dbraw/zinc/29/37/47/837293747.db2.gz ZXFNMNSVXTUEFF-CHWSQXEVSA-N 0 3 351.432 -0.655 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CCCCC2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077753385 837295897 /nfs/dbraw/zinc/29/58/97/837295897.db2.gz CAZMNNYHNUFXNY-BFHYXJOUSA-N 0 3 352.435 -0.284 20 0 FBADHN O=C(N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077753635 837295240 /nfs/dbraw/zinc/29/52/40/837295240.db2.gz PQYRIBAEHSFJIL-BFHYXJOUSA-N 0 3 350.419 -0.364 20 0 FBADHN O=C(N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077753700 837295703 /nfs/dbraw/zinc/29/57/03/837295703.db2.gz SMOMCWJYEUUQMV-BFHYXJOUSA-N 0 3 352.435 -0.284 20 0 FBADHN O=C(N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077754590 837296647 /nfs/dbraw/zinc/29/66/47/837296647.db2.gz IUFCEDSEFCNRNR-YNEHKIRRSA-N 0 3 350.419 -0.674 20 0 FBADHN O=C(Cn1cc(Cl)cn1)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077756214 837297103 /nfs/dbraw/zinc/29/71/03/837297103.db2.gz WZPCPPTVHDIUQR-IACUBPJLSA-N 0 3 369.853 -0.386 20 0 FBADHN O=C(Cn1cc(Cl)cn1)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077756215 837297602 /nfs/dbraw/zinc/29/76/02/837297602.db2.gz WZPCPPTVHDIUQR-MRVWCRGKSA-N 0 3 369.853 -0.386 20 0 FBADHN COc1c(C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@H]2O)c(C)nn1C ZINC001077766712 837302016 /nfs/dbraw/zinc/30/20/16/837302016.db2.gz RTKSBBOEFCXGKT-ZIAGYGMSSA-N 0 3 352.435 -0.061 20 0 FBADHN COc1c(C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@H]2O)c(C)nn1C ZINC001077766747 837301482 /nfs/dbraw/zinc/30/14/82/837301482.db2.gz SZQQGXGDBRMHHP-BFHYXJOUSA-N 0 3 352.435 -0.061 20 0 FBADHN COc1c(C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@H]2O)c(C)nn1C ZINC001077766748 837302039 /nfs/dbraw/zinc/30/20/39/837302039.db2.gz SZQQGXGDBRMHHP-MGPQQGTHSA-N 0 3 352.435 -0.061 20 0 FBADHN COc1c(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)c(C)nn1C ZINC001077766777 837301612 /nfs/dbraw/zinc/30/16/12/837301612.db2.gz VNWZWYMSPOOBPH-BFHYXJOUSA-N 0 3 352.435 -0.061 20 0 FBADHN COc1c(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@H]2O)c(C)nn1C ZINC001077766778 837301672 /nfs/dbraw/zinc/30/16/72/837301672.db2.gz VNWZWYMSPOOBPH-MGPQQGTHSA-N 0 3 352.435 -0.061 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O)N1CCCCCC1 ZINC001077773902 837305021 /nfs/dbraw/zinc/30/50/21/837305021.db2.gz GPNGLAIMXAKNHI-RBSFLKMASA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O)N1CCCCCC1 ZINC001077773903 837304713 /nfs/dbraw/zinc/30/47/13/837304713.db2.gz GPNGLAIMXAKNHI-RRFJBIMHSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O)N1CCCCCC1 ZINC001077773925 837305405 /nfs/dbraw/zinc/30/54/05/837305405.db2.gz HIJGRVHENDPISJ-FVQBIDKESA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O)N1CCCCCC1 ZINC001077773926 837304943 /nfs/dbraw/zinc/30/49/43/837304943.db2.gz HIJGRVHENDPISJ-NUEKZKHPSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)N1CCCCCC1 ZINC001077774234 837305482 /nfs/dbraw/zinc/30/54/82/837305482.db2.gz REQPAQZZQNJMSB-ARFHVFGLSA-N 0 3 352.479 -0.356 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)N1CCCCCC1 ZINC001077774235 837305557 /nfs/dbraw/zinc/30/55/57/837305557.db2.gz REQPAQZZQNJMSB-BZUAXINKSA-N 0 3 352.479 -0.356 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O)N1CCCCCC1 ZINC001077774249 837305177 /nfs/dbraw/zinc/30/51/77/837305177.db2.gz RSQVZMXFQYTPCH-BFHYXJOUSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O)N1CCCCCC1 ZINC001077774250 837304755 /nfs/dbraw/zinc/30/47/55/837304755.db2.gz RSQVZMXFQYTPCH-MGPQQGTHSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O)N1CCCCCC1 ZINC001077774255 837304682 /nfs/dbraw/zinc/30/46/82/837304682.db2.gz RWUZLEIMGZAKQN-BFHYXJOUSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O)N1CCCCCC1 ZINC001077774256 837305087 /nfs/dbraw/zinc/30/50/87/837305087.db2.gz RWUZLEIMGZAKQN-MGPQQGTHSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O)N1CCCCCC1 ZINC001077774327 837304826 /nfs/dbraw/zinc/30/48/26/837304826.db2.gz VNIPYSVIZNILMU-FVQBIDKESA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O)N1CCCCCC1 ZINC001077774328 837305155 /nfs/dbraw/zinc/30/51/55/837305155.db2.gz VNIPYSVIZNILMU-NUEKZKHPSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O)N1CCCCCC1 ZINC001077774399 837305385 /nfs/dbraw/zinc/30/53/85/837305385.db2.gz YVYQNFDYMNRGCV-RBSFLKMASA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O)N1CCCCCC1 ZINC001077774400 837306795 /nfs/dbraw/zinc/30/67/95/837306795.db2.gz YVYQNFDYMNRGCV-RRFJBIMHSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O)N1CCCCCC1 ZINC001077777198 837308498 /nfs/dbraw/zinc/30/84/98/837308498.db2.gz BKSDUBJHVUBFKV-FVQBIDKESA-N 0 3 352.479 -0.309 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O)N1CCCCCC1 ZINC001077777199 837307414 /nfs/dbraw/zinc/30/74/14/837307414.db2.gz BKSDUBJHVUBFKV-NUEKZKHPSA-N 0 3 352.479 -0.309 20 0 FBADHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077777586 837307680 /nfs/dbraw/zinc/30/76/80/837307680.db2.gz RQWXSEGAEYHPLF-BZUAXINKSA-N 0 3 350.467 -0.298 20 0 FBADHN CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077777587 837308274 /nfs/dbraw/zinc/30/82/74/837308274.db2.gz RQWXSEGAEYHPLF-OWCLPIDISA-N 0 3 350.467 -0.298 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O)N1CCCCCC1 ZINC001077777618 837307532 /nfs/dbraw/zinc/30/75/32/837307532.db2.gz TUVJKOFEFDCTIB-ARFHVFGLSA-N 0 3 350.467 -0.296 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O)N1CCCCCC1 ZINC001077777619 837307821 /nfs/dbraw/zinc/30/78/21/837307821.db2.gz TUVJKOFEFDCTIB-BZUAXINKSA-N 0 3 350.467 -0.296 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O)N1CCCCCC1 ZINC001077777700 837308352 /nfs/dbraw/zinc/30/83/52/837308352.db2.gz WXWZSNCHJZENLX-FVQBIDKESA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O)N1CCCCCC1 ZINC001077777701 837308436 /nfs/dbraw/zinc/30/84/36/837308436.db2.gz WXWZSNCHJZENLX-NUEKZKHPSA-N 0 3 350.467 -0.259 20 0 FBADHN O=C(Cc1cscn1)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077786008 837309390 /nfs/dbraw/zinc/30/93/90/837309390.db2.gz ZNLRSUJNNCQCMF-IACUBPJLSA-N 0 3 352.460 -0.237 20 0 FBADHN O=C(Cc1cscn1)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077786009 837309741 /nfs/dbraw/zinc/30/97/41/837309741.db2.gz ZNLRSUJNNCQCMF-MRVWCRGKSA-N 0 3 352.460 -0.237 20 0 FBADHN CC1CCN(C(=O)C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@H]2O)CC1 ZINC001077788641 837313010 /nfs/dbraw/zinc/31/30/10/837313010.db2.gz HGGNYONQWQDUAH-HZPDHXFCSA-N 0 3 353.463 -0.167 20 0 FBADHN CC1CCN(C(=O)C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077788884 837313498 /nfs/dbraw/zinc/31/34/98/837313498.db2.gz RQWFXLZHRFICPS-ARFHVFGLSA-N 0 3 353.463 -0.167 20 0 FBADHN CC1CCN(C(=O)C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077788885 837312662 /nfs/dbraw/zinc/31/26/62/837312662.db2.gz RQWFXLZHRFICPS-BZUAXINKSA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@H]2O)C1 ZINC001077789770 837314028 /nfs/dbraw/zinc/31/40/28/837314028.db2.gz IZOIDCSUBVNIDP-FVQBIDKESA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@H]2O)C1 ZINC001077789771 837314626 /nfs/dbraw/zinc/31/46/26/837314626.db2.gz IZOIDCSUBVNIDP-NUEKZKHPSA-N 0 3 353.463 -0.167 20 0 FBADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)c1C(F)(F)F ZINC001077801137 837316700 /nfs/dbraw/zinc/31/67/00/837316700.db2.gz FARBBTZJPSYBCB-IVZWLZJFSA-N 0 3 363.340 -0.355 20 0 FBADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)c1C(F)(F)F ZINC001077801138 837316104 /nfs/dbraw/zinc/31/61/04/837316104.db2.gz FARBBTZJPSYBCB-OPRDCNLKSA-N 0 3 363.340 -0.355 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001077805776 837321676 /nfs/dbraw/zinc/32/16/76/837321676.db2.gz MJLMQQVMJYHDGO-BFHYXJOUSA-N 0 3 352.439 -0.616 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001077805777 837321329 /nfs/dbraw/zinc/32/13/29/837321329.db2.gz MJLMQQVMJYHDGO-MGPQQGTHSA-N 0 3 352.439 -0.616 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001077805957 837320998 /nfs/dbraw/zinc/32/09/98/837320998.db2.gz VOKPDJFUAYOZFW-BFHYXJOUSA-N 0 3 352.439 -0.473 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001077805958 837321734 /nfs/dbraw/zinc/32/17/34/837321734.db2.gz VOKPDJFUAYOZFW-MGPQQGTHSA-N 0 3 352.439 -0.473 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001077816921 837346836 /nfs/dbraw/zinc/34/68/36/837346836.db2.gz CTDOICOSWAEMHU-ZIAGYGMSSA-N 0 3 350.423 -0.860 20 0 FBADHN CC[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077816965 837347782 /nfs/dbraw/zinc/34/77/82/837347782.db2.gz FRQMPJZTKACCEI-BFHYXJOUSA-N 0 3 352.439 -0.614 20 0 FBADHN CC[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077816966 837348770 /nfs/dbraw/zinc/34/87/70/837348770.db2.gz FRQMPJZTKACCEI-MGPQQGTHSA-N 0 3 352.439 -0.614 20 0 FBADHN CC(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077817108 837347844 /nfs/dbraw/zinc/34/78/44/837347844.db2.gz NSVKKQUBAAOUGH-ZIAGYGMSSA-N 0 3 352.439 -0.614 20 0 FBADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001077817126 837348135 /nfs/dbraw/zinc/34/81/35/837348135.db2.gz OOHNJVLCWRISJK-ZIAGYGMSSA-N 0 3 350.423 -0.860 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CC3CCCCC3)C[C@H]2O)S1(=O)=O ZINC001077820664 837354575 /nfs/dbraw/zinc/35/45/75/837354575.db2.gz DZCMSKGECZRWRU-KFWWJZLASA-N 0 3 359.492 -0.238 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CC3CCCCC3)C[C@H]2O)S1(=O)=O ZINC001077820665 837354448 /nfs/dbraw/zinc/35/44/48/837354448.db2.gz DZCMSKGECZRWRU-RBSFLKMASA-N 0 3 359.492 -0.238 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@H]2O)S1(=O)=O ZINC001077820668 837353748 /nfs/dbraw/zinc/35/37/48/837353748.db2.gz FGFMZZYPHHYAFF-KFWWJZLASA-N 0 3 371.503 -0.238 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@H]2O)S1(=O)=O ZINC001077820669 837353848 /nfs/dbraw/zinc/35/38/48/837353848.db2.gz FGFMZZYPHHYAFF-RBSFLKMASA-N 0 3 371.503 -0.238 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@H]2O)S1(=O)=O ZINC001077821012 837355796 /nfs/dbraw/zinc/35/57/96/837355796.db2.gz VCUYXMJBHTWHES-MCIONIFRSA-N 0 3 359.492 -0.382 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@H]2O)S1(=O)=O ZINC001077821013 837355461 /nfs/dbraw/zinc/35/54/61/837355461.db2.gz VCUYXMJBHTWHES-MGPQQGTHSA-N 0 3 359.492 -0.382 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)S1(=O)=O ZINC001077821075 837355199 /nfs/dbraw/zinc/35/51/99/837355199.db2.gz XZHWGZJXKBGADY-KFWWJZLASA-N 0 3 359.492 -0.238 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)S1(=O)=O ZINC001077821076 837355905 /nfs/dbraw/zinc/35/59/05/837355905.db2.gz XZHWGZJXKBGADY-RBSFLKMASA-N 0 3 359.492 -0.238 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001077829017 837359854 /nfs/dbraw/zinc/35/98/54/837359854.db2.gz NXIKKMLYLSGHFX-CKYFFXLPSA-N 0 3 364.431 -0.260 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001077829018 837360173 /nfs/dbraw/zinc/36/01/73/837360173.db2.gz NXIKKMLYLSGHFX-HOSYDEDBSA-N 0 3 364.431 -0.260 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001077833301 837363765 /nfs/dbraw/zinc/36/37/65/837363765.db2.gz FGJCACUPHKKEPL-CCAROEGRSA-N 0 3 353.419 -0.984 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833318 837364695 /nfs/dbraw/zinc/36/46/95/837364695.db2.gz FZWKQYUFGDYTIT-MVWJERBFSA-N 0 3 359.373 -0.364 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833319 837364324 /nfs/dbraw/zinc/36/43/24/837364324.db2.gz FZWKQYUFGDYTIT-YUSALJHKSA-N 0 3 359.373 -0.364 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1)C1CCC1 ZINC001077833418 837364400 /nfs/dbraw/zinc/36/44/00/837364400.db2.gz JWKRIMALDIAQNF-MCIONIFRSA-N 0 3 353.419 -0.984 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1)C1CCC1 ZINC001077833419 837364999 /nfs/dbraw/zinc/36/49/99/837364999.db2.gz JWKRIMALDIAQNF-MGPQQGTHSA-N 0 3 353.419 -0.984 20 0 FBADHN O=C(N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833565 837363924 /nfs/dbraw/zinc/36/39/24/837363924.db2.gz QZZFXEMFGUIJKK-IACUBPJLSA-N 0 3 353.419 -0.983 20 0 FBADHN O=C(N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833566 837364226 /nfs/dbraw/zinc/36/42/26/837364226.db2.gz QZZFXEMFGUIJKK-MRVWCRGKSA-N 0 3 353.419 -0.983 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833580 837363855 /nfs/dbraw/zinc/36/38/55/837363855.db2.gz RLISKYCDCUXJHW-BFHYXJOUSA-N 0 3 353.419 -0.840 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833581 837363954 /nfs/dbraw/zinc/36/39/54/837363954.db2.gz RLISKYCDCUXJHW-MGPQQGTHSA-N 0 3 353.419 -0.840 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833755 837366200 /nfs/dbraw/zinc/36/62/00/837366200.db2.gz ZJQDFXJKPNSEAK-ZIAGYGMSSA-N 0 3 353.419 -0.983 20 0 FBADHN Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3CN(CC[C@@H](C)F)C[C@H]3O)cn2n1 ZINC001077837469 837372071 /nfs/dbraw/zinc/37/20/71/837372071.db2.gz BIQXHABGKAPWCG-OASPWFOLSA-N 0 3 351.382 -0.146 20 0 FBADHN Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3CN(CC[C@H](C)F)C[C@H]3O)cn2n1 ZINC001077837470 837372264 /nfs/dbraw/zinc/37/22/64/837372264.db2.gz BIQXHABGKAPWCG-ZWKOPEQDSA-N 0 3 351.382 -0.146 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O)N1CCOCC1 ZINC001077840616 837374984 /nfs/dbraw/zinc/37/49/84/837374984.db2.gz DUGDUXFQZPMECB-ARFHVFGLSA-N 0 3 355.479 -0.315 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O)N1CCOCC1 ZINC001077840617 837375019 /nfs/dbraw/zinc/37/50/19/837375019.db2.gz DUGDUXFQZPMECB-BZUAXINKSA-N 0 3 355.479 -0.315 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O)N1CCOCC1 ZINC001077840695 837375338 /nfs/dbraw/zinc/37/53/38/837375338.db2.gz 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CC1(C(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@H]2O)CCOCC1 ZINC001077844135 837373115 /nfs/dbraw/zinc/37/31/15/837373115.db2.gz XFGCGCIGZNWEOF-RBSFLKMASA-N 0 3 353.463 -0.119 20 0 FBADHN CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CCOCC1 ZINC001077844136 837373331 /nfs/dbraw/zinc/37/33/31/837373331.db2.gz XFGCGCIGZNWEOF-RRFJBIMHSA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001077852176 837378760 /nfs/dbraw/zinc/37/87/60/837378760.db2.gz WBUPFARBRRHQOS-ZIAGYGMSSA-N 0 3 352.435 -0.330 20 0 FBADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001077853104 837379229 /nfs/dbraw/zinc/37/92/29/837379229.db2.gz KXGOVDUCFQTABW-GMTAPVOTSA-N 0 3 360.361 -0.865 20 0 FBADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001077853105 837379127 /nfs/dbraw/zinc/37/91/27/837379127.db2.gz KXGOVDUCFQTABW-HBNTYKKESA-N 0 3 360.361 -0.865 20 0 FBADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001077853763 837378854 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Cc1csc(=O)n1CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001078165021 837465122 /nfs/dbraw/zinc/46/51/22/837465122.db2.gz MGHRKJCEZZVRBM-BFHYXJOUSA-N 0 3 355.460 -0.194 20 0 FBADHN Cc1csc(=O)n1CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001078165022 837465175 /nfs/dbraw/zinc/46/51/75/837465175.db2.gz MGHRKJCEZZVRBM-MGPQQGTHSA-N 0 3 355.460 -0.194 20 0 FBADHN Cc1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)c(=O)[n-]1 ZINC001078168892 837466359 /nfs/dbraw/zinc/46/63/59/837466359.db2.gz RBWLNNWCCYPPQW-BPLDGKMQSA-N 0 3 350.419 -0.461 20 0 FBADHN Cc1nc(C)c(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)c(=O)[n-]1 ZINC001078168892 837466356 /nfs/dbraw/zinc/46/63/56/837466356.db2.gz RBWLNNWCCYPPQW-BPLDGKMQSA-N 0 3 350.419 -0.461 20 0 FBADHN Cc1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)c(=O)[n-]1 ZINC001078168893 837466409 /nfs/dbraw/zinc/46/64/09/837466409.db2.gz RBWLNNWCCYPPQW-NWANDNLSSA-N 0 3 350.419 -0.461 20 0 FBADHN Cc1nc(C)c(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)c(=O)[n-]1 ZINC001078168893 837466404 /nfs/dbraw/zinc/46/64/04/837466404.db2.gz RBWLNNWCCYPPQW-NWANDNLSSA-N 0 3 350.419 -0.461 20 0 FBADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1)OC ZINC001078169005 837465601 /nfs/dbraw/zinc/46/56/01/837465601.db2.gz XYYNIAKGENLRLT-BPLDGKMQSA-N 0 3 352.435 -0.072 20 0 FBADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1)OC ZINC001078169006 837466448 /nfs/dbraw/zinc/46/64/48/837466448.db2.gz XYYNIAKGENLRLT-NWANDNLSSA-N 0 3 352.435 -0.072 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CCc3cccs3)C[C@H]2O)c(=O)[nH]c1=O ZINC001078169764 837465790 /nfs/dbraw/zinc/46/57/90/837465790.db2.gz FATLXHQXIBXTHU-CHWSQXEVSA-N 0 3 364.427 -0.435 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)c(=O)[nH]c1=O ZINC001078169824 837465653 /nfs/dbraw/zinc/46/56/53/837465653.db2.gz IBSWYHNNMBJIFO-ZIAGYGMSSA-N 0 3 350.419 -0.159 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CC3CC(F)(F)C3)C[C@H]2O)c(=O)[nH]c1=O ZINC001078169885 837465700 /nfs/dbraw/zinc/46/57/00/837465700.db2.gz KWMRGBFQJMEHCK-GHMZBOCLSA-N 0 3 358.345 -0.694 20 0 FBADHN NC(=O)c1cc(C(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)c[nH]1 ZINC001078183176 837468402 /nfs/dbraw/zinc/46/84/02/837468402.db2.gz DNCDALZMLZSHFB-BPLDGKMQSA-N 0 3 350.419 -0.152 20 0 FBADHN NC(=O)c1cc(C(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)c[nH]1 ZINC001078183177 837469192 /nfs/dbraw/zinc/46/91/92/837469192.db2.gz DNCDALZMLZSHFB-NWANDNLSSA-N 0 3 350.419 -0.152 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001078183265 837469086 /nfs/dbraw/zinc/46/90/86/837469086.db2.gz IPFWBWSEDPHKTD-CKCNXQLGSA-N 0 3 350.419 -0.296 20 0 FBADHN NC(=O)c1cc(C(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)c[nH]1 ZINC001078184364 837468967 /nfs/dbraw/zinc/46/89/67/837468967.db2.gz DFSVQIPLGVQTJK-KCPJHIHWSA-N 0 3 350.419 -0.295 20 0 FBADHN NC(=O)c1cc(C(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)c[nH]1 ZINC001078184365 837469250 /nfs/dbraw/zinc/46/92/50/837469250.db2.gz DFSVQIPLGVQTJK-NILFDRSVSA-N 0 3 350.419 -0.295 20 0 FBADHN NC(=O)c1cc(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)c[nH]1 ZINC001078184816 837469123 /nfs/dbraw/zinc/46/91/23/837469123.db2.gz LVRUBOZDMONPSU-HUUCEWRRSA-N 0 3 350.419 -0.295 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1)C1CCC1 ZINC001078185257 837468507 /nfs/dbraw/zinc/46/85/07/837468507.db2.gz YGAXIGFGTAPXIC-KFWWJZLASA-N 0 3 350.419 -0.296 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1)C1CCC1 ZINC001078185258 837468542 /nfs/dbraw/zinc/46/85/42/837468542.db2.gz YGAXIGFGTAPXIC-RBSFLKMASA-N 0 3 350.419 -0.296 20 0 FBADHN O=C(N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193300 837472918 /nfs/dbraw/zinc/47/29/18/837472918.db2.gz KYOQAVCXOPYVNU-RBSFLKMASA-N 0 3 359.492 -0.190 20 0 FBADHN O=C(N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193301 837472406 /nfs/dbraw/zinc/47/24/06/837472406.db2.gz KYOQAVCXOPYVNU-RRFJBIMHSA-N 0 3 359.492 -0.190 20 0 FBADHN O=C(N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193480 837473226 /nfs/dbraw/zinc/47/32/26/837473226.db2.gz SRABRTHIQASEMX-RBSFLKMASA-N 0 3 357.476 -0.270 20 0 FBADHN O=C(N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193481 837473071 /nfs/dbraw/zinc/47/30/71/837473071.db2.gz SRABRTHIQASEMX-RRFJBIMHSA-N 0 3 357.476 -0.270 20 0 FBADHN O=C(N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193532 837473087 /nfs/dbraw/zinc/47/30/87/837473087.db2.gz VUHDAKPULHNCBP-BFHYXJOUSA-N 0 3 357.476 -0.580 20 0 FBADHN O=C(N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193533 837473163 /nfs/dbraw/zinc/47/31/63/837473163.db2.gz VUHDAKPULHNCBP-MGPQQGTHSA-N 0 3 357.476 -0.580 20 0 FBADHN O=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193643 837474142 /nfs/dbraw/zinc/47/41/42/837474142.db2.gz ZNFFDQCMIFWAKP-ARFHVFGLSA-N 0 3 367.471 -0.528 20 0 FBADHN O=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193644 837474476 /nfs/dbraw/zinc/47/44/76/837474476.db2.gz ZNFFDQCMIFWAKP-BZUAXINKSA-N 0 3 367.471 -0.528 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CCCCC2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193650 837474420 /nfs/dbraw/zinc/47/44/20/837474420.db2.gz ZXAAPAQSUDSVLL-RBSFLKMASA-N 0 3 359.492 -0.190 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CCCCC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193651 837473812 /nfs/dbraw/zinc/47/38/12/837473812.db2.gz ZXAAPAQSUDSVLL-RRFJBIMHSA-N 0 3 359.492 -0.190 20 0 FBADHN Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078194262 837473751 /nfs/dbraw/zinc/47/37/51/837473751.db2.gz ARBPHDOPIMWCQX-ARFHVFGLSA-N 0 3 367.471 -0.344 20 0 FBADHN Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078194263 837474198 /nfs/dbraw/zinc/47/41/98/837474198.db2.gz ARBPHDOPIMWCQX-BZUAXINKSA-N 0 3 367.471 -0.344 20 0 FBADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001078199664 837475646 /nfs/dbraw/zinc/47/56/46/837475646.db2.gz RFYMCTHAAVSDPA-BRWVUGGUSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001078199665 837475256 /nfs/dbraw/zinc/47/52/56/837475256.db2.gz RFYMCTHAAVSDPA-IXDOHACOSA-N 0 3 353.463 -0.025 20 0 FBADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1)OC ZINC001078206227 837483700 /nfs/dbraw/zinc/48/37/00/837483700.db2.gz UOBZOBLFLVLWOS-BFHYXJOUSA-N 0 3 351.451 -0.179 20 0 FBADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1)OC ZINC001078206228 837483134 /nfs/dbraw/zinc/48/31/34/837483134.db2.gz UOBZOBLFLVLWOS-MGPQQGTHSA-N 0 3 351.451 -0.179 20 0 FBADHN O=C(N[C@@H]1CN(CC2CCOCC2)C[C@H]1O)c1noc2c1COCC2 ZINC001078206784 837476832 /nfs/dbraw/zinc/47/68/32/837476832.db2.gz IGRQBQGWNJAXIH-ZIAGYGMSSA-N 0 3 351.403 -0.051 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O)c1noc2c1COCC2 ZINC001078207042 837476721 /nfs/dbraw/zinc/47/67/21/837476721.db2.gz OYRIXOSTCHQYSQ-IACUBPJLSA-N 0 3 351.403 -0.051 20 0 FBADHN O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O)c1noc2c1COCC2 ZINC001078207043 837476797 /nfs/dbraw/zinc/47/67/97/837476797.db2.gz OYRIXOSTCHQYSQ-MRVWCRGKSA-N 0 3 351.403 -0.051 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O)c1noc2c1COCC2 ZINC001078207276 837476354 /nfs/dbraw/zinc/47/63/54/837476354.db2.gz VIVAEYFVYKOOEZ-IACUBPJLSA-N 0 3 351.403 -0.051 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O)c1noc2c1COCC2 ZINC001078207277 837476686 /nfs/dbraw/zinc/47/66/86/837476686.db2.gz VIVAEYFVYKOOEZ-MRVWCRGKSA-N 0 3 351.403 -0.051 20 0 FBADHN C[C@@H](CCNC(=O)C1=NC(=O)N(C)C1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001078208886 837476439 /nfs/dbraw/zinc/47/64/39/837476439.db2.gz COEMSHMHERAKDH-DMDPSCGWSA-N 0 3 353.423 -0.531 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210147 837478664 /nfs/dbraw/zinc/47/86/64/837478664.db2.gz XFTOJRBTHFGADC-BRWVUGGUSA-N 0 3 355.479 -0.315 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078210148 837478398 /nfs/dbraw/zinc/47/83/98/837478398.db2.gz XFTOJRBTHFGADC-ZACQAIPSSA-N 0 3 355.479 -0.315 20 0 FBADHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2O)c1 ZINC001078222829 837489202 /nfs/dbraw/zinc/48/92/02/837489202.db2.gz RQDSVRSMGJMHPT-HZPDHXFCSA-N 0 3 369.487 -0.432 20 0 FBADHN Cc1sc(=O)n(CC(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)c1C ZINC001078226599 837489046 /nfs/dbraw/zinc/48/90/46/837489046.db2.gz JSDYMUOUICYJLW-BFHYXJOUSA-N 0 3 355.460 -0.276 20 0 FBADHN Cc1sc(=O)n(CC(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)c1C ZINC001078226600 837488804 /nfs/dbraw/zinc/48/88/04/837488804.db2.gz JSDYMUOUICYJLW-MGPQQGTHSA-N 0 3 355.460 -0.276 20 0 FBADHN NC(=O)Cn1cc(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)nn1 ZINC001078229551 837484581 /nfs/dbraw/zinc/48/45/81/837484581.db2.gz OHMCIMONUDICJM-TZMCWYRMSA-N 0 3 350.423 -0.881 20 0 FBADHN NC(=O)Cn1cc(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)nn1 ZINC001078229773 837484423 /nfs/dbraw/zinc/48/44/23/837484423.db2.gz YHIJLJYUDXQGEE-TZMCWYRMSA-N 0 3 350.423 -0.881 20 0 FBADHN CC(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001078230788 837484990 /nfs/dbraw/zinc/48/49/90/837484990.db2.gz RHKGGVMGLJRPSZ-TZMCWYRMSA-N 0 3 352.439 -0.813 20 0 FBADHN CC[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001078230850 837484821 /nfs/dbraw/zinc/48/48/21/837484821.db2.gz VNVGCRZKAOFURB-OUCADQQQSA-N 0 3 352.439 -0.813 20 0 FBADHN CC[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001078230851 837484953 /nfs/dbraw/zinc/48/49/53/837484953.db2.gz VNVGCRZKAOFURB-YRGRVCCFSA-N 0 3 352.439 -0.813 20 0 FBADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O ZINC001078230932 837484697 /nfs/dbraw/zinc/48/46/97/837484697.db2.gz ZZOZIRLLAAHBLP-HZPDHXFCSA-N 0 3 369.487 -0.432 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CCC1=O ZINC001078233981 837486152 /nfs/dbraw/zinc/48/61/52/837486152.db2.gz GCOUAFBBLDMRDR-ARFHVFGLSA-N 0 3 353.463 -0.167 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CCC1=O ZINC001078233982 837486395 /nfs/dbraw/zinc/48/63/95/837486395.db2.gz GCOUAFBBLDMRDR-BZUAXINKSA-N 0 3 353.463 -0.167 20 0 FBADHN CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)C ZINC001078238409 837488591 /nfs/dbraw/zinc/48/85/91/837488591.db2.gz WXBLLVDYPXZLOU-IGQOVBAYSA-N 0 3 356.467 -0.384 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCC(F)(F)C3)C[C@H]2O)n(C)c1=O ZINC001078239566 837489665 /nfs/dbraw/zinc/48/96/65/837489665.db2.gz BGHWVLSMMZFNEN-DMDPSCGWSA-N 0 3 358.389 -0.066 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCC(F)(F)C3)C[C@H]2O)n(C)c1=O ZINC001078239567 837489892 /nfs/dbraw/zinc/48/98/92/837489892.db2.gz BGHWVLSMMZFNEN-NQBHXWOUSA-N 0 3 358.389 -0.066 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)n(C)c1=O ZINC001078239618 837489916 /nfs/dbraw/zinc/48/99/16/837489916.db2.gz DNQBTKVFSLBGDW-GZBFAFLISA-N 0 3 352.435 -0.685 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)n(C)c1=O ZINC001078239619 837490103 /nfs/dbraw/zinc/49/01/03/837490103.db2.gz DNQBTKVFSLBGDW-UMVBOHGHSA-N 0 3 352.435 -0.685 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1)C1CCC1 ZINC001078239871 837490075 /nfs/dbraw/zinc/49/00/75/837490075.db2.gz QOFPOOHMPDYFNB-BPLDGKMQSA-N 0 3 352.435 -0.686 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1)C1CCC1 ZINC001078239872 837490302 /nfs/dbraw/zinc/49/03/02/837490302.db2.gz QOFPOOHMPDYFNB-YUELXQCFSA-N 0 3 352.435 -0.686 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)n(C)c1=O ZINC001078239939 837490334 /nfs/dbraw/zinc/49/03/34/837490334.db2.gz URUXPWLWOZCQFK-GZBFAFLISA-N 0 3 352.435 -0.542 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)n(C)c1=O ZINC001078239940 837490389 /nfs/dbraw/zinc/49/03/89/837490389.db2.gz URUXPWLWOZCQFK-UMVBOHGHSA-N 0 3 352.435 -0.542 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001078240750 837489736 /nfs/dbraw/zinc/48/97/36/837489736.db2.gz GUWLBYSDDAQXJK-UJFKTDLFSA-N 0 3 352.435 -0.686 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)n(C)c1=O ZINC001078241072 837491285 /nfs/dbraw/zinc/49/12/85/837491285.db2.gz YGQUNZIDASZIST-UKRRQHHQSA-N 0 3 352.435 -0.685 20 0 FBADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001078243762 837491800 /nfs/dbraw/zinc/49/18/00/837491800.db2.gz XYBHYMMWZRMOSV-BRWVUGGUSA-N 0 3 353.463 -0.025 20 0 FBADHN NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001078279819 837495232 /nfs/dbraw/zinc/49/52/32/837495232.db2.gz ARRHYTHRLIVGPZ-QLFBSQMISA-N 0 3 354.451 -0.493 20 0 FBADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001078289610 837501602 /nfs/dbraw/zinc/50/16/02/837501602.db2.gz WXGJMNZVOUSPRF-BFHYXJOUSA-N 0 3 353.419 -0.983 20 0 FBADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001078289611 837501524 /nfs/dbraw/zinc/50/15/24/837501524.db2.gz WXGJMNZVOUSPRF-MGPQQGTHSA-N 0 3 353.419 -0.983 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)N1CCOCC1 ZINC001078290750 837501020 /nfs/dbraw/zinc/50/10/20/837501020.db2.gz SDSICKMOQFRSCQ-USXIJHARSA-N 0 3 355.479 -0.315 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001078412806 837504118 /nfs/dbraw/zinc/50/41/18/837504118.db2.gz IIJHSYDEBNEMHY-BPUTZDHNSA-N 0 3 352.435 -0.069 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCCO[C@H](CNCc2cnn(C)c2)C1 ZINC001078412807 837503924 /nfs/dbraw/zinc/50/39/24/837503924.db2.gz IIJHSYDEBNEMHY-IMJJTQAJSA-N 0 3 352.435 -0.069 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCCO[C@@H](CNCc2cncn2C)C1 ZINC001078412816 837503560 /nfs/dbraw/zinc/50/35/60/837503560.db2.gz IMLSFVFNNUWUER-BPUTZDHNSA-N 0 3 352.435 -0.069 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCCO[C@H](CNCc2cncn2C)C1 ZINC001078412817 837504436 /nfs/dbraw/zinc/50/44/36/837504436.db2.gz IMLSFVFNNUWUER-IMJJTQAJSA-N 0 3 352.435 -0.069 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCCO[C@@H](CNCc2ccnn2C)C1 ZINC001078413828 837505859 /nfs/dbraw/zinc/50/58/59/837505859.db2.gz YXVRZISCIZRWBA-BPUTZDHNSA-N 0 3 352.435 -0.069 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCCO[C@H](CNCc2ccnn2C)C1 ZINC001078413829 837505696 /nfs/dbraw/zinc/50/56/96/837505696.db2.gz YXVRZISCIZRWBA-IMJJTQAJSA-N 0 3 352.435 -0.069 20 0 FBADHN Cc1nc(CNC[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)CCCO2)n[nH]1 ZINC001078414840 837504246 /nfs/dbraw/zinc/50/42/46/837504246.db2.gz QKGSQYYXFZRJQA-LNSITVRQSA-N 0 3 353.423 -0.376 20 0 FBADHN Cc1nc(CNC[C@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)CCCO2)n[nH]1 ZINC001078414841 837503315 /nfs/dbraw/zinc/50/33/15/837503315.db2.gz QKGSQYYXFZRJQA-WHOFXGATSA-N 0 3 353.423 -0.376 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@H](CNCc3cnns3)C2)O1 ZINC001078418263 837505543 /nfs/dbraw/zinc/50/55/43/837505543.db2.gz KXJINBGHDBUJAC-UMVBOHGHSA-N 0 3 369.491 -0.036 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@@H](CNCc3cnns3)C2)O1 ZINC001078418264 837505036 /nfs/dbraw/zinc/50/50/36/837505036.db2.gz KXJINBGHDBUJAC-VNHYZAJKSA-N 0 3 369.491 -0.036 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001078454545 837506405 /nfs/dbraw/zinc/50/64/05/837506405.db2.gz ITAGASUUZTVCSL-TVYUQYBPSA-N 0 3 351.407 -0.695 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)C ZINC001078454719 837506824 /nfs/dbraw/zinc/50/68/24/837506824.db2.gz RECOBHNUVGZNHM-FQUUOJAGSA-N 0 3 356.467 -0.384 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)C ZINC001078454720 837506801 /nfs/dbraw/zinc/50/68/01/837506801.db2.gz RECOBHNUVGZNHM-IGQOVBAYSA-N 0 3 356.467 -0.384 20 0 FBADHN C[C@@H](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)C1(N(C)C)CCC1 ZINC001078454910 837506556 /nfs/dbraw/zinc/50/65/56/837506556.db2.gz ZWTSMRBLYDHTJA-RWMBFGLXSA-N 0 3 354.451 -0.485 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001078455968 837507521 /nfs/dbraw/zinc/50/75/21/837507521.db2.gz CTBYJQBCBBRTKT-RWMBFGLXSA-N 0 3 356.467 -0.239 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCO[C@@H](CNCc3cncs3)C2)O1 ZINC001078469245 837510412 /nfs/dbraw/zinc/51/04/12/837510412.db2.gz 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CC[C@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079176746 837870794 /nfs/dbraw/zinc/87/07/94/837870794.db2.gz PBYRRAITESUPAD-MELADBBJSA-N 0 3 350.394 -0.151 20 0 FBADHN CC(=O)N1CC2(CCN(CCN3CCCS3(=O)=O)CC2)[C@H]2COC[C@H]21 ZINC001079214526 837871476 /nfs/dbraw/zinc/87/14/76/837871476.db2.gz RCJJTXLKVMAOPV-JKSUJKDBSA-N 0 3 371.503 -0.019 20 0 FBADHN CC(=O)N1CC2(CCN(CCN3C(=O)CNC3=O)CC2)[C@H]2COC[C@H]21 ZINC001079215336 837871868 /nfs/dbraw/zinc/87/18/68/837871868.db2.gz AIVQNNMSGCTSBM-UONOGXRCSA-N 0 3 350.419 -0.503 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001079227400 837872958 /nfs/dbraw/zinc/87/29/58/837872958.db2.gz RGEOSNGUZMHZFS-RRFJBIMHSA-N 0 3 350.463 -0.495 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001079227401 837873521 /nfs/dbraw/zinc/87/35/21/837873521.db2.gz RGEOSNGUZMHZFS-SOUVJXGZSA-N 0 3 350.463 -0.495 20 0 FBADHN CC[C@H](C(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21)N(C)C ZINC001079248081 837873014 /nfs/dbraw/zinc/87/30/14/837873014.db2.gz HFCYSLUFAPTOFA-RRFJBIMHSA-N 0 3 352.479 -0.249 20 0 FBADHN CC[C@@H](C(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21)N(C)C ZINC001079260630 837874531 /nfs/dbraw/zinc/87/45/31/837874531.db2.gz HFCYSLUFAPTOFA-SOUVJXGZSA-N 0 3 352.479 -0.249 20 0 FBADHN NC(=O)CN1CCC2(CN(C(=O)CN3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273732 837874493 /nfs/dbraw/zinc/87/44/93/837874493.db2.gz NUYNMYODSOGUNT-LSDHHAIUSA-N 0 3 350.463 -0.493 20 0 FBADHN O=C(C1CS(=O)(=O)C1)N1C[C@@H](c2ccccc2F)[C@H](NCCO)C1 ZINC001079296494 837875584 /nfs/dbraw/zinc/87/55/84/837875584.db2.gz CMVWDHMKDUWNBS-DZGCQCFKSA-N 0 3 356.419 -0.253 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1CCOCC1 ZINC001079346509 837877646 /nfs/dbraw/zinc/87/76/46/837877646.db2.gz FNIJGSZCBHGACT-TZMCWYRMSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)C1CCOCC1 ZINC001079346940 837877090 /nfs/dbraw/zinc/87/70/90/837877090.db2.gz ZEXMFJWZNXWQNQ-VNQPRFMTSA-N 0 3 353.463 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C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001079443004 837882477 /nfs/dbraw/zinc/88/24/77/837882477.db2.gz LPFSYMMAEMPFJH-MBNYWOFBSA-N 0 3 355.464 -0.259 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001079443005 837882712 /nfs/dbraw/zinc/88/27/12/837882712.db2.gz LPFSYMMAEMPFJH-YRGRVCCFSA-N 0 3 355.464 -0.259 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001079449731 837881331 /nfs/dbraw/zinc/88/13/31/837881331.db2.gz ZBAOTZWHZLQWDD-HZSPNIEDSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC001079449732 837880544 /nfs/dbraw/zinc/88/05/44/837880544.db2.gz ZBAOTZWHZLQWDD-MGPQQGTHSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001079451701 837881022 /nfs/dbraw/zinc/88/10/22/837881022.db2.gz OQHHRVQDHNVFAZ-MBNYWOFBSA-N 0 3 355.464 -0.259 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001079451703 837881537 /nfs/dbraw/zinc/88/15/37/837881537.db2.gz OQHHRVQDHNVFAZ-YRGRVCCFSA-N 0 3 355.464 -0.259 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccnn1C ZINC001079482793 837883179 /nfs/dbraw/zinc/88/31/79/837883179.db2.gz NITHRGRUVQRLPB-HZSPNIEDSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccnn1C ZINC001079482794 837884751 /nfs/dbraw/zinc/88/47/51/837884751.db2.gz NITHRGRUVQRLPB-MGPQQGTHSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001079484376 837885447 /nfs/dbraw/zinc/88/54/47/837885447.db2.gz KDPYHRJGLNKHTF-HZSPNIEDSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001079484377 837885252 /nfs/dbraw/zinc/88/52/52/837885252.db2.gz KDPYHRJGLNKHTF-MGPQQGTHSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001079489569 837884468 /nfs/dbraw/zinc/88/44/68/837884468.db2.gz GCJCBLMJYZYSJB-MCIONIFRSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001079489570 837885185 /nfs/dbraw/zinc/88/51/85/837885185.db2.gz GCJCBLMJYZYSJB-MGPQQGTHSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001079494837 837887949 /nfs/dbraw/zinc/88/79/49/837887949.db2.gz PKGVVNRHXHWFHK-KFWWJZLASA-N 0 3 358.508 -0.447 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001079494838 837887101 /nfs/dbraw/zinc/88/71/01/837887101.db2.gz PKGVVNRHXHWFHK-RBSFLKMASA-N 0 3 358.508 -0.447 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1ccon1 ZINC001079510988 837884814 /nfs/dbraw/zinc/88/48/14/837884814.db2.gz UWPCLTYUJCJSGI-UMVBOHGHSA-N 0 3 370.475 -0.065 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1ccon1 ZINC001079510989 837884906 /nfs/dbraw/zinc/88/49/06/837884906.db2.gz UWPCLTYUJCJSGI-VNHYZAJKSA-N 0 3 370.475 -0.065 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001079514710 837888042 /nfs/dbraw/zinc/88/80/42/837888042.db2.gz YSXZYJYYXSSHKM-HZSPNIEDSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001079514711 837887440 /nfs/dbraw/zinc/88/74/40/837887440.db2.gz YSXZYJYYXSSHKM-MGPQQGTHSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001079517864 837887003 /nfs/dbraw/zinc/88/70/03/837887003.db2.gz YSLGHYIKBCOOFW-UMVBOHGHSA-N 0 3 369.491 -0.330 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001079517865 837888002 /nfs/dbraw/zinc/88/80/02/837888002.db2.gz YSLGHYIKBCOOFW-VNHYZAJKSA-N 0 3 369.491 -0.330 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001079527007 837889501 /nfs/dbraw/zinc/88/95/01/837889501.db2.gz ZFLONSHABCOGGJ-DAXOMENPSA-N 0 3 350.467 -0.338 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001079527008 837889900 /nfs/dbraw/zinc/88/99/00/837889900.db2.gz ZFLONSHABCOGGJ-WQVCFCJDSA-N 0 3 350.467 -0.338 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079528014 837887170 /nfs/dbraw/zinc/88/71/70/837887170.db2.gz PLSBCYSWTKJUNG-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079528015 837887344 /nfs/dbraw/zinc/88/73/44/837887344.db2.gz PLSBCYSWTKJUNG-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC001079566304 837891300 /nfs/dbraw/zinc/89/13/00/837891300.db2.gz SNBKQMJRPXZNMJ-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001079566305 837891171 /nfs/dbraw/zinc/89/11/71/837891171.db2.gz SNBKQMJRPXZNMJ-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cn(C)cn1 ZINC001079571640 837888864 /nfs/dbraw/zinc/88/88/64/837888864.db2.gz BQGZERDVKLCEGU-HZSPNIEDSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cn(C)cn1 ZINC001079571642 837888787 /nfs/dbraw/zinc/88/87/87/837888787.db2.gz BQGZERDVKLCEGU-MGPQQGTHSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC001079577774 837891425 /nfs/dbraw/zinc/89/14/25/837891425.db2.gz PNEASBBRHWGUDX-MCIONIFRSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC001079577775 837891008 /nfs/dbraw/zinc/89/10/08/837891008.db2.gz PNEASBBRHWGUDX-MGPQQGTHSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079593852 837891529 /nfs/dbraw/zinc/89/15/29/837891529.db2.gz IVPIVIFLHJUDQY-HZPDHXFCSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079593880 837891781 /nfs/dbraw/zinc/89/17/81/837891781.db2.gz KMANKGALKARIMQ-BZUAXINKSA-N 0 3 351.451 -0.987 20 0 FBADHN C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079593881 837891738 /nfs/dbraw/zinc/89/17/38/837891738.db2.gz KMANKGALKARIMQ-OWCLPIDISA-N 0 3 351.451 -0.987 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079597273 837892871 /nfs/dbraw/zinc/89/28/71/837892871.db2.gz KCCNLJBGQFFLCP-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079597274 837893001 /nfs/dbraw/zinc/89/30/01/837893001.db2.gz KCCNLJBGQFFLCP-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602711 837894057 /nfs/dbraw/zinc/89/40/57/837894057.db2.gz YSLMMUURYDTBGS-CHWSQXEVSA-N 0 3 350.423 -0.567 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)C1=CCOCC1 ZINC001079612499 837894262 /nfs/dbraw/zinc/89/42/62/837894262.db2.gz RNYJAYGRHIJOCK-VNQPRFMTSA-N 0 3 351.447 -0.247 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1=CCOCC1 ZINC001079613202 837895302 /nfs/dbraw/zinc/89/53/02/837895302.db2.gz HHUOTBPETVTZNY-TZMCWYRMSA-N 0 3 350.419 -0.289 20 0 FBADHN CC(=O)N1CC(C(=O)N[C@@H]2CN(CCCN3CCCC3=O)C[C@H]2C)C1 ZINC001079630730 837894666 /nfs/dbraw/zinc/89/46/66/837894666.db2.gz KSZBUVQCSCEICF-CZUORRHYSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cnnn1C ZINC001079645197 837896290 /nfs/dbraw/zinc/89/62/90/837896290.db2.gz LFRUQUOLJFWQSV-FRRDWIJNSA-N 0 3 370.479 -0.853 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cnnn1C ZINC001079645198 837896833 /nfs/dbraw/zinc/89/68/33/837896833.db2.gz LFRUQUOLJFWQSV-JHJVBQTASA-N 0 3 370.479 -0.853 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079655149 837897515 /nfs/dbraw/zinc/89/75/15/837897515.db2.gz QUOZZRQRVFWGFE-FRRDWIJNSA-N 0 3 370.479 -0.853 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079655150 837898155 /nfs/dbraw/zinc/89/81/55/837898155.db2.gz QUOZZRQRVFWGFE-JHJVBQTASA-N 0 3 370.479 -0.853 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001079672118 837900386 /nfs/dbraw/zinc/90/03/86/837900386.db2.gz UTIFOPMFCWSZDD-FRRDWIJNSA-N 0 3 355.464 -0.259 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001079672119 837899542 /nfs/dbraw/zinc/89/95/42/837899542.db2.gz UTIFOPMFCWSZDD-JHJVBQTASA-N 0 3 355.464 -0.259 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(CCN3CCCS3(=O)=O)C[C@H]2C)n[nH]1 ZINC001079677060 837899435 /nfs/dbraw/zinc/89/94/35/837899435.db2.gz AUVACFZAJDHGRY-DGCLKSJQSA-N 0 3 370.479 -0.872 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C)n[nH]1 ZINC001079677173 837899772 /nfs/dbraw/zinc/89/97/72/837899772.db2.gz GONSWFJKVSIRBU-KWCYVHTRSA-N 0 3 369.491 -0.083 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(C[C@H]3CCCS(=O)(=O)C3)C[C@H]2C)n[nH]1 ZINC001079677174 837899117 /nfs/dbraw/zinc/89/91/17/837899117.db2.gz GONSWFJKVSIRBU-MRVWCRGKSA-N 0 3 369.491 -0.083 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(CC3CCS(=O)(=O)CC3)C[C@H]2C)n[nH]1 ZINC001079677462 837899721 /nfs/dbraw/zinc/89/97/21/837899721.db2.gz STFXCDKXDLLZRF-BXUZGUMPSA-N 0 3 369.491 -0.083 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001079730601 837903420 /nfs/dbraw/zinc/90/34/20/837903420.db2.gz DENXSPGFAADUGW-FRRDWIJNSA-N 0 3 350.423 -0.617 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001079730602 837903681 /nfs/dbraw/zinc/90/36/81/837903681.db2.gz DENXSPGFAADUGW-JHJVBQTASA-N 0 3 350.423 -0.617 20 0 FBADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001079731350 837902938 /nfs/dbraw/zinc/90/29/38/837902938.db2.gz AFGFMRBABSLRLY-DGCLKSJQSA-N 0 3 350.423 -0.617 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001079736292 837904981 /nfs/dbraw/zinc/90/49/81/837904981.db2.gz LFFVYJVJKACXAV-ZHRONYKTSA-N 0 3 350.419 -0.599 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079799302 837908691 /nfs/dbraw/zinc/90/86/91/837908691.db2.gz ZCBYAUOXERNACK-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079799303 837908964 /nfs/dbraw/zinc/90/89/64/837908964.db2.gz ZCBYAUOXERNACK-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001079805037 837911355 /nfs/dbraw/zinc/91/13/55/837911355.db2.gz VNAHIBQZNQLPSU-GDBMZVCRSA-N 0 3 352.479 -0.139 20 0 FBADHN CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001079806929 837911218 /nfs/dbraw/zinc/91/12/18/837911218.db2.gz COGUWWKIFBKRDZ-CABCVRRESA-N 0 3 350.463 -0.134 20 0 FBADHN CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001079807321 837911273 /nfs/dbraw/zinc/91/12/73/837911273.db2.gz RLJZZHJROBDWRW-UONOGXRCSA-N 0 3 352.435 -0.826 20 0 FBADHN C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001079807775 837912279 /nfs/dbraw/zinc/91/22/79/837912279.db2.gz PTSMGJJOLYLJOR-ZIAGYGMSSA-N 0 3 355.464 -0.645 20 0 FBADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001079807847 837912637 /nfs/dbraw/zinc/91/26/37/837912637.db2.gz TZSYQPRJJIHNBM-UKRRQHHQSA-N 0 3 369.491 -0.565 20 0 FBADHN C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001079807902 837912246 /nfs/dbraw/zinc/91/22/46/837912246.db2.gz WSERMHXAOMRWIT-UKRRQHHQSA-N 0 3 369.491 -0.565 20 0 FBADHN CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001079816607 837909457 /nfs/dbraw/zinc/90/94/57/837909457.db2.gz LTKJDGYVRSKESC-UONOGXRCSA-N 0 3 354.451 -0.580 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001079842864 837914296 /nfs/dbraw/zinc/91/42/96/837914296.db2.gz VUJHNRIWMZVTEU-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CCNC1=O ZINC001079842865 837913994 /nfs/dbraw/zinc/91/39/94/837913994.db2.gz VUJHNRIWMZVTEU-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001079859228 837915356 /nfs/dbraw/zinc/91/53/56/837915356.db2.gz LXQXPNIZZPFCCQ-TZMCWYRMSA-N 0 3 352.460 -0.019 20 0 FBADHN C[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001079877077 837916721 /nfs/dbraw/zinc/91/67/21/837916721.db2.gz KMUOOSVASZQNKY-ADEWGFFLSA-N 0 3 351.432 -0.280 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCNC1=O ZINC001079900449 837916505 /nfs/dbraw/zinc/91/65/05/837916505.db2.gz GYWHILOAFSKUFS-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCNC1=O ZINC001079900451 837917052 /nfs/dbraw/zinc/91/70/52/837917052.db2.gz GYWHILOAFSKUFS-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN COC1CC(C(=O)N[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC001079920711 837919976 /nfs/dbraw/zinc/91/99/76/837919976.db2.gz MXPVAMCTJOMVOA-BLYZHGLHSA-N 0 3 352.435 -0.210 20 0 FBADHN CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001079930589 837921415 /nfs/dbraw/zinc/92/14/15/837921415.db2.gz VICFPUQBCAFBST-UONOGXRCSA-N 0 3 354.451 -0.581 20 0 FBADHN C[C@@H]1CN(CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001079951243 837922073 /nfs/dbraw/zinc/92/20/73/837922073.db2.gz BRWGMWFJJHOXNJ-KLHDSHLOSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001079951560 837921808 /nfs/dbraw/zinc/92/18/08/837921808.db2.gz UCWZLOVPOLTGPC-KBUPBQIOSA-N 0 3 353.467 -0.833 20 0 FBADHN C[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC001079965294 837921686 /nfs/dbraw/zinc/92/16/86/837921686.db2.gz CPWNVKJWMVKQBU-MCIONIFRSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCCCN1C ZINC001079965295 837923734 /nfs/dbraw/zinc/92/37/34/837923734.db2.gz CPWNVKJWMVKQBU-MGPQQGTHSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001079990288 837923271 /nfs/dbraw/zinc/92/32/71/837923271.db2.gz AMTXYHSTFLJTNC-UKRRQHHQSA-N 0 3 365.503 -0.104 20 0 FBADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001079990894 837923685 /nfs/dbraw/zinc/92/36/85/837923685.db2.gz ONKXRVGHOQDXCT-GDBMZVCRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001079997026 838034191 /nfs/dbraw/zinc/03/41/91/838034191.db2.gz DYDWEHLQXOICTJ-DGCLKSJQSA-N 0 3 350.448 -0.283 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC001080017841 838037226 /nfs/dbraw/zinc/03/72/26/838037226.db2.gz XCFHYLLMFYPXCW-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC001080017842 838037145 /nfs/dbraw/zinc/03/71/45/838037145.db2.gz XCFHYLLMFYPXCW-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)N(C)C ZINC001080018326 838037532 /nfs/dbraw/zinc/03/75/32/838037532.db2.gz QIQQEMRHAGWSQN-HZSPNIEDSA-N 0 3 354.451 -0.581 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cncn1C ZINC001080058335 838040550 /nfs/dbraw/zinc/04/05/50/838040550.db2.gz ULJLMOKPLSUXNC-HZSPNIEDSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cncn1C ZINC001080058336 838041124 /nfs/dbraw/zinc/04/11/24/838041124.db2.gz ULJLMOKPLSUXNC-MGPQQGTHSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001080061544 838040718 /nfs/dbraw/zinc/04/07/18/838040718.db2.gz YIXKOGHBRDLMOF-TZMCWYRMSA-N 0 3 350.419 -0.046 20 0 FBADHN Cc1cncn1CC(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC001080139781 838046778 /nfs/dbraw/zinc/04/67/78/838046778.db2.gz WXOBLRAOFJPJGE-UKRRQHHQSA-N 0 3 369.491 -0.336 20 0 FBADHN C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)CN1CCCCS1(=O)=O ZINC001080139823 838047082 /nfs/dbraw/zinc/04/70/82/838047082.db2.gz ZHDDESJATBTYTO-HUUCEWRRSA-N 0 3 369.491 -0.255 20 0 FBADHN CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)N(C)C ZINC001080147932 838049239 /nfs/dbraw/zinc/04/92/39/838049239.db2.gz QIQQEMRHAGWSQN-MELADBBJSA-N 0 3 354.451 -0.581 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080161369 838048564 /nfs/dbraw/zinc/04/85/64/838048564.db2.gz ZBQMXDYPNHMCFR-ILLDSPSKSA-N 0 3 350.463 -0.626 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001080161370 838049132 /nfs/dbraw/zinc/04/91/32/838049132.db2.gz ZBQMXDYPNHMCFR-PGJZFTLKSA-N 0 3 350.463 -0.626 20 0 FBADHN C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080164465 838049343 /nfs/dbraw/zinc/04/93/43/838049343.db2.gz BWRNTUTYQYUSTK-QVCPJDEESA-N 0 3 371.503 -0.669 20 0 FBADHN C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001080164466 838048987 /nfs/dbraw/zinc/04/89/87/838048987.db2.gz BWRNTUTYQYUSTK-RJZXRHAOSA-N 0 3 371.503 -0.669 20 0 FBADHN C[C@@H]1CN(CCCO)C[C@H]1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001080177302 838051209 /nfs/dbraw/zinc/05/12/09/838051209.db2.gz GFCRMZKOUDSBRD-VQHPVUNQSA-N 0 3 355.479 -0.315 20 0 FBADHN COCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001080177311 838050904 /nfs/dbraw/zinc/05/09/04/838050904.db2.gz GMDSRNAYCXZQCI-VQHPVUNQSA-N 0 3 355.479 -0.051 20 0 FBADHN C[C@@H]1CN(CC2CCCC2)C[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001080181655 838051045 /nfs/dbraw/zinc/05/10/45/838051045.db2.gz DAUYASTZARFNQV-BNOWGMLFSA-N 0 3 357.476 -0.474 20 0 FBADHN C[C@@H]1CN(CC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001080181825 838050460 /nfs/dbraw/zinc/05/04/60/838050460.db2.gz NQLJWILDJIYWHQ-YUELXQCFSA-N 0 3 371.503 -0.084 20 0 FBADHN CCC(CC)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001080181982 838050055 /nfs/dbraw/zinc/05/00/55/838050055.db2.gz QYAAXCUEAHIMNW-BNOWGMLFSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H]1CN(CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001080181990 838050138 /nfs/dbraw/zinc/05/01/38/838050138.db2.gz RKOGUVQYCSKCHR-UPJWGTAASA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001080184662 838051139 /nfs/dbraw/zinc/05/11/39/838051139.db2.gz MAFUGCBQHIMODC-HBUWYVDXSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC001080184663 838051408 /nfs/dbraw/zinc/05/14/08/838051408.db2.gz MAFUGCBQHIMODC-LBTNJELSSA-N 0 3 350.463 -0.038 20 0 FBADHN CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001080192376 838052175 /nfs/dbraw/zinc/05/21/75/838052175.db2.gz PKAJHFNMTPQHOY-UONOGXRCSA-N 0 3 354.451 -0.580 20 0 FBADHN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001080245752 838054388 /nfs/dbraw/zinc/05/43/88/838054388.db2.gz DBFBOZINRKLCHT-KGYLQXTDSA-N 0 3 370.479 -0.555 20 0 FBADHN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001080245753 838054792 /nfs/dbraw/zinc/05/47/92/838054792.db2.gz DBFBOZINRKLCHT-RAIGVLPGSA-N 0 3 370.479 -0.555 20 0 FBADHN C[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080258011 838056599 /nfs/dbraw/zinc/05/65/99/838056599.db2.gz KZQXBHSAMSNKOM-TZMCWYRMSA-N 0 3 351.476 -0.446 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080258138 838057149 /nfs/dbraw/zinc/05/71/49/838057149.db2.gz RMHCMMJEHYPEBP-MCIONIFRSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080258139 838057686 /nfs/dbraw/zinc/05/76/86/838057686.db2.gz RMHCMMJEHYPEBP-MGPQQGTHSA-N 0 3 351.451 -0.541 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080258317 838058417 /nfs/dbraw/zinc/05/84/17/838058417.db2.gz ZHYICOLADMAYFD-TZMCWYRMSA-N 0 3 365.503 -0.138 20 0 FBADHN Cc1noc(CCCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001080265138 838059551 /nfs/dbraw/zinc/05/95/51/838059551.db2.gz SWBXQPAUBPKMIT-RAIGVLPGSA-N 0 3 350.423 -0.229 20 0 FBADHN Cc1noc(CCCN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001080265139 838059850 /nfs/dbraw/zinc/05/98/50/838059850.db2.gz SWBXQPAUBPKMIT-RTXFEEFZSA-N 0 3 350.423 -0.229 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001080266039 838054061 /nfs/dbraw/zinc/05/40/61/838054061.db2.gz KVCOXWDKTMICFL-QKPAOTATSA-N 0 3 352.479 -0.500 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080290533 838060969 /nfs/dbraw/zinc/06/09/69/838060969.db2.gz IKGNBVNWYRKLBW-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080290534 838061585 /nfs/dbraw/zinc/06/15/85/838061585.db2.gz IKGNBVNWYRKLBW-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001080292135 838060692 /nfs/dbraw/zinc/06/06/92/838060692.db2.gz DDKYMZVQUZSMBX-FWXGHANASA-N 0 3 371.503 -0.403 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001080292136 838061549 /nfs/dbraw/zinc/06/15/49/838061549.db2.gz DDKYMZVQUZSMBX-TWHJKIGZSA-N 0 3 371.503 -0.403 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001080292233 838061983 /nfs/dbraw/zinc/06/19/83/838061983.db2.gz JUCNJMNHWJAGFI-BMNMPBFRSA-N 0 3 351.447 -0.701 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001080293873 838061782 /nfs/dbraw/zinc/06/17/82/838061782.db2.gz FQEHQWJBMIBEMB-VVSAWPALSA-N 0 3 350.419 -0.743 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC001080296224 838060664 /nfs/dbraw/zinc/06/06/64/838060664.db2.gz AGLVRSAWJIDUIT-GRYCIOLGSA-N 0 3 368.459 -0.118 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC001080296235 838060559 /nfs/dbraw/zinc/06/05/59/838060559.db2.gz BAYWCDGBGSUMBZ-NXEZZACHSA-N 0 3 367.431 -0.159 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)Cc1cnoc1 ZINC001080313483 838063248 /nfs/dbraw/zinc/06/32/48/838063248.db2.gz NLULMCNRTBQLNR-VHDGCEQUSA-N 0 3 350.419 -0.363 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001080313578 838062573 /nfs/dbraw/zinc/06/25/73/838062573.db2.gz RXHKIQMUIYCDJU-UMVBOHGHSA-N 0 3 370.475 -0.065 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001080313579 838063273 /nfs/dbraw/zinc/06/32/73/838063273.db2.gz RXHKIQMUIYCDJU-VNHYZAJKSA-N 0 3 370.475 -0.065 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2C)C1 ZINC001080324913 838061476 /nfs/dbraw/zinc/06/14/76/838061476.db2.gz JMGSAGNYRNFNMP-BZUAXINKSA-N 0 3 350.467 -0.176 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2C)C1 ZINC001080324914 838061211 /nfs/dbraw/zinc/06/12/11/838061211.db2.gz JMGSAGNYRNFNMP-OAGGEKHMSA-N 0 3 350.467 -0.176 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001080326732 838062862 /nfs/dbraw/zinc/06/28/62/838062862.db2.gz NGCALVVBMOWTIK-HSMVNMDESA-N 0 3 356.398 -0.507 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001080326733 838063516 /nfs/dbraw/zinc/06/35/16/838063516.db2.gz NGCALVVBMOWTIK-XHBSWPGZSA-N 0 3 356.398 -0.507 20 0 FBADHN CCN(C(=O)CN1CCC(C)CC1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080347508 838067052 /nfs/dbraw/zinc/06/70/52/838067052.db2.gz USXVOZNJCZNBJT-CABCVRRESA-N 0 3 350.463 -0.101 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001080388199 838067023 /nfs/dbraw/zinc/06/70/23/838067023.db2.gz INFCXPWGLUEWBM-VXGBXAGGSA-N 0 3 371.463 -0.789 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001080388340 838066092 /nfs/dbraw/zinc/06/60/92/838066092.db2.gz OVGQIHQAWRWDOS-VXGBXAGGSA-N 0 3 351.407 -0.965 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001080389527 838066133 /nfs/dbraw/zinc/06/61/33/838066133.db2.gz QBZDRTOAIVZJQW-GRYCIOLGSA-N 0 3 356.448 -0.390 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1=NC(=O)N(C)C1 ZINC001080389528 838067262 /nfs/dbraw/zinc/06/72/62/838067262.db2.gz QBZDRTOAIVZJQW-IJLUTSLNSA-N 0 3 356.448 -0.390 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001080390577 838066941 /nfs/dbraw/zinc/06/69/41/838066941.db2.gz OMIOVQZIUWWDMG-LVQVYYBASA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001080434782 838070743 /nfs/dbraw/zinc/07/07/43/838070743.db2.gz BXWWBTUIUDJYRK-HBUWYVDXSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001080434783 838069430 /nfs/dbraw/zinc/06/94/30/838069430.db2.gz BXWWBTUIUDJYRK-LBTNJELSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCCO)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001080437446 838069831 /nfs/dbraw/zinc/06/98/31/838069831.db2.gz NSWHWQTVSQXEND-LVQVYYBASA-N 0 3 353.463 -0.025 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1NC(=O)CN1CCC[C@H]1C ZINC001080442566 838072783 /nfs/dbraw/zinc/07/27/83/838072783.db2.gz FPKMSCZPMZPHDJ-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1NC(=O)CN1CCC[C@@H]1C ZINC001080442567 838072308 /nfs/dbraw/zinc/07/23/08/838072308.db2.gz FPKMSCZPMZPHDJ-OWCLPIDISA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001080446305 838073025 /nfs/dbraw/zinc/07/30/25/838073025.db2.gz HLFPHJCLWKVLAT-ARFHVFGLSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CC(=O)N3CCOCC3)C[C@H]2C)C1 ZINC001080446306 838071505 /nfs/dbraw/zinc/07/15/05/838071505.db2.gz HLFPHJCLWKVLAT-BZUAXINKSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC001080456344 838071868 /nfs/dbraw/zinc/07/18/68/838071868.db2.gz ZZHGDIUGEGGXSQ-MCIONIFRSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC001080456345 838071664 /nfs/dbraw/zinc/07/16/64/838071664.db2.gz ZZHGDIUGEGGXSQ-MGPQQGTHSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001080470021 838072673 /nfs/dbraw/zinc/07/26/73/838072673.db2.gz IQMKTHCFIFGNKB-BHPKHCPMSA-N 0 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CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080553399 838078859 /nfs/dbraw/zinc/07/88/59/838078859.db2.gz KWJPXNCGUKFISY-UONOGXRCSA-N 0 3 354.451 -0.581 20 0 FBADHN CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001080553755 838078736 /nfs/dbraw/zinc/07/87/36/838078736.db2.gz RVRHICHMFJGYEM-UONOGXRCSA-N 0 3 354.451 -0.580 20 0 FBADHN CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001080553828 838078944 /nfs/dbraw/zinc/07/89/44/838078944.db2.gz URRFZOISIKUPIQ-UONOGXRCSA-N 0 3 354.451 -0.580 20 0 FBADHN CCN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080564329 838080102 /nfs/dbraw/zinc/08/01/02/838080102.db2.gz SPZNYEPCYNRMMP-KGLIPLIRSA-N 0 3 350.463 -0.101 20 0 FBADHN CO[C@@H](C)CN1C[C@@H](C)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001080593100 838081571 /nfs/dbraw/zinc/08/15/71/838081571.db2.gz IWSIFKCRSIRTFP-HZSPNIEDSA-N 0 3 352.439 -0.350 20 0 FBADHN CO[C@H](C)CN1C[C@@H](C)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001080593101 838080811 /nfs/dbraw/zinc/08/08/11/838080811.db2.gz IWSIFKCRSIRTFP-MGPQQGTHSA-N 0 3 352.439 -0.350 20 0 FBADHN COC[C@H](C)N1C[C@@H](C)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001080593299 838080762 /nfs/dbraw/zinc/08/07/62/838080762.db2.gz UCSYWPRGZZTTKF-HZSPNIEDSA-N 0 3 352.439 -0.350 20 0 FBADHN COC[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001080593300 838081244 /nfs/dbraw/zinc/08/12/44/838081244.db2.gz UCSYWPRGZZTTKF-MGPQQGTHSA-N 0 3 352.439 -0.350 20 0 FBADHN C[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001080633484 838086276 /nfs/dbraw/zinc/08/62/76/838086276.db2.gz FEJXVSXJZWORNX-ZYHUDNBSSA-N 0 3 351.432 -0.326 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080633865 838088947 /nfs/dbraw/zinc/08/89/47/838088947.db2.gz XALVTJBGTWWGAD-ZYHUDNBSSA-N 0 3 365.459 -0.018 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccncn1 ZINC001080642666 838088211 /nfs/dbraw/zinc/08/82/11/838088211.db2.gz QMUZMFCFBQGWMV-UMVBOHGHSA-N 0 3 367.475 -0.192 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccncn1 ZINC001080642667 838087809 /nfs/dbraw/zinc/08/78/09/838087809.db2.gz QMUZMFCFBQGWMV-VNHYZAJKSA-N 0 3 367.475 -0.192 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cccnn1 ZINC001080658108 838088330 /nfs/dbraw/zinc/08/83/30/838088330.db2.gz DEVCBWKZBBYXQE-UMVBOHGHSA-N 0 3 367.475 -0.192 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1cccnn1 ZINC001080658109 838088429 /nfs/dbraw/zinc/08/84/29/838088429.db2.gz DEVCBWKZBBYXQE-VNHYZAJKSA-N 0 3 367.475 -0.192 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001080667441 838092125 /nfs/dbraw/zinc/09/21/25/838092125.db2.gz DQHCJMDUCJSAIY-KFWWJZLASA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001080667442 838091042 /nfs/dbraw/zinc/09/10/42/838091042.db2.gz DQHCJMDUCJSAIY-RBSFLKMASA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001080673408 838090709 /nfs/dbraw/zinc/09/07/09/838090709.db2.gz NEIHBQXFHCJUNN-HZSPNIEDSA-N 0 3 369.491 -0.330 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001080673409 838090409 /nfs/dbraw/zinc/09/04/09/838090409.db2.gz NEIHBQXFHCJUNN-MGPQQGTHSA-N 0 3 369.491 -0.330 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001080674539 838089342 /nfs/dbraw/zinc/08/93/42/838089342.db2.gz JTXCNDOOZBEXEZ-PBFPGSCMSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001080674540 838090150 /nfs/dbraw/zinc/09/01/50/838090150.db2.gz JTXCNDOOZBEXEZ-XNJGSVPQSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001080733265 838092961 /nfs/dbraw/zinc/09/29/61/838092961.db2.gz KFJMCUOTUXMJQN-TZMCWYRMSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750673 838097721 /nfs/dbraw/zinc/09/77/21/838097721.db2.gz JTJMHFAIVILACL-DGCLKSJQSA-N 0 3 355.464 -0.392 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080752334 838096892 /nfs/dbraw/zinc/09/68/92/838096892.db2.gz NSQKYTHUWABNBF-FRRDWIJNSA-N 0 3 355.464 -0.392 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080752335 838096760 /nfs/dbraw/zinc/09/67/60/838096760.db2.gz NSQKYTHUWABNBF-JHJVBQTASA-N 0 3 355.464 -0.392 20 0 FBADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001080771541 838099296 /nfs/dbraw/zinc/09/92/96/838099296.db2.gz NWCDYEPQXKNOIW-TZMCWYRMSA-N 0 3 352.435 -0.114 20 0 FBADHN CCN(CC)CC(=O)NC1(CO)CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080868831 838106947 /nfs/dbraw/zinc/10/69/47/838106947.db2.gz NVVSLBQIBKQBHL-KSSFIOAISA-N 0 3 353.463 -0.166 20 0 FBADHN Cc1nn(CC(=O)N[C@@H]2CN(CCOC3CCC3)C[C@H]2C)c(=O)n1C ZINC001080872830 838108410 /nfs/dbraw/zinc/10/84/10/838108410.db2.gz LZGCSMMDSIKVGY-IUODEOHRSA-N 0 3 351.451 -0.104 20 0 FBADHN CCCN(C)CC(=O)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080884435 838109134 /nfs/dbraw/zinc/10/91/34/838109134.db2.gz ACDHAFJOJBWJFG-KSSFIOAISA-N 0 3 353.463 -0.166 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080884494 838109452 /nfs/dbraw/zinc/10/94/52/838109452.db2.gz CJOGNGLEIRNSAG-DEYYWGMASA-N 0 3 351.447 -0.413 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080884495 838109373 /nfs/dbraw/zinc/10/93/73/838109373.db2.gz CJOGNGLEIRNSAG-IYOUNJFTSA-N 0 3 351.447 -0.413 20 0 FBADHN CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1)N(C)C ZINC001080884960 838109104 /nfs/dbraw/zinc/10/91/04/838109104.db2.gz UKCCOUQYXWPIJQ-DEYYWGMASA-N 0 3 353.463 -0.167 20 0 FBADHN CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1)N(C)C ZINC001080884961 838109721 /nfs/dbraw/zinc/10/97/21/838109721.db2.gz UKCCOUQYXWPIJQ-IYOUNJFTSA-N 0 3 353.463 -0.167 20 0 FBADHN CCN(CC)CC(=O)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080885094 838109296 /nfs/dbraw/zinc/10/92/96/838109296.db2.gz YXQKIUWXAMQVRR-KSSFIOAISA-N 0 3 353.463 -0.166 20 0 FBADHN CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080885945 838110594 /nfs/dbraw/zinc/11/05/94/838110594.db2.gz LIHCMMUVGSVZIQ-KSSFIOAISA-N 0 3 353.463 -0.167 20 0 FBADHN O=C(CN1CCCC1)N1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080886001 838110325 /nfs/dbraw/zinc/11/03/25/838110325.db2.gz NNIKYFNNSYEKBJ-KSSFIOAISA-N 0 3 351.447 -0.412 20 0 FBADHN CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080890119 838110549 /nfs/dbraw/zinc/11/05/49/838110549.db2.gz SQGADUMJECQSEV-KSSFIOAISA-N 0 3 353.463 -0.167 20 0 FBADHN CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@]23C[C@H]2COC3)CC1)N(C)C ZINC001080904213 838113062 /nfs/dbraw/zinc/11/30/62/838113062.db2.gz WZSBAZVIUSKVBL-IYOUNJFTSA-N 0 3 353.463 -0.167 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906708 838112870 /nfs/dbraw/zinc/11/28/70/838112870.db2.gz KTQNOIZKCBCJQD-ZYHUDNBSSA-N 0 3 365.459 -0.018 20 0 FBADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC001080907924 838114654 /nfs/dbraw/zinc/11/46/54/838114654.db2.gz MSKQXTOAUWQOHO-TZMCWYRMSA-N 0 3 352.435 -0.114 20 0 FBADHN C[C@@H]1CN(CCc2ccns2)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001080908182 838114229 /nfs/dbraw/zinc/11/42/29/838114229.db2.gz ZVVCULZCNSJXBZ-ZYHUDNBSSA-N 0 3 351.432 -0.326 20 0 FBADHN CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@]23C[C@H]2COC3)CC1)N(C)C ZINC001080919931 838115812 /nfs/dbraw/zinc/11/58/12/838115812.db2.gz WZSBAZVIUSKVBL-DEYYWGMASA-N 0 3 353.463 -0.167 20 0 FBADHN CCCN(C)CC(=O)NC1(CO)CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001080929952 838116659 /nfs/dbraw/zinc/11/66/59/838116659.db2.gz DLRARHREWJVRNF-KSSFIOAISA-N 0 3 353.463 -0.166 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001080938848 838118332 /nfs/dbraw/zinc/11/83/32/838118332.db2.gz UQHTUAXTSVBQLI-UMVBOHGHSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001080938849 838118096 /nfs/dbraw/zinc/11/80/96/838118096.db2.gz UQHTUAXTSVBQLI-VNHYZAJKSA-N 0 3 369.491 -0.248 20 0 FBADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001080939797 838118668 /nfs/dbraw/zinc/11/86/68/838118668.db2.gz KIESKMFHHSZYBJ-ZIAGYGMSSA-N 0 3 351.451 -0.539 20 0 FBADHN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001080942829 838118957 /nfs/dbraw/zinc/11/89/57/838118957.db2.gz BQTJKAKVPUMSJJ-OWCLPIDISA-N 0 3 352.479 -0.498 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001080943107 838118876 /nfs/dbraw/zinc/11/88/76/838118876.db2.gz PSALWEMGKLGPBQ-HUUCEWRRSA-N 0 3 358.508 -0.446 20 0 FBADHN Cc1nccn1CC(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC001080947841 838119961 /nfs/dbraw/zinc/11/99/61/838119961.db2.gz PIPAACYRSVFRGB-UKRRQHHQSA-N 0 3 369.491 -0.336 20 0 FBADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080959529 838123061 /nfs/dbraw/zinc/12/30/61/838123061.db2.gz ILKDUWRMFNXERK-KWCYVHTRSA-N 0 3 368.459 -0.987 20 0 FBADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080959530 838123378 /nfs/dbraw/zinc/12/33/78/838123378.db2.gz ILKDUWRMFNXERK-MRVWCRGKSA-N 0 3 368.459 -0.987 20 0 FBADHN Cc1noc(CCCN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001080959912 838123006 /nfs/dbraw/zinc/12/30/06/838123006.db2.gz VULNUKLJVYMSTF-KGYLQXTDSA-N 0 3 371.463 -0.561 20 0 FBADHN Cc1noc(CCCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001080959913 838122962 /nfs/dbraw/zinc/12/29/62/838122962.db2.gz VULNUKLJVYMSTF-RAIGVLPGSA-N 0 3 371.463 -0.561 20 0 FBADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080960863 838124390 /nfs/dbraw/zinc/12/43/90/838124390.db2.gz JJGBXAGYVPYADR-KWCYVHTRSA-N 0 3 355.464 -0.909 20 0 FBADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080960864 838124251 /nfs/dbraw/zinc/12/42/51/838124251.db2.gz JJGBXAGYVPYADR-MRVWCRGKSA-N 0 3 355.464 -0.909 20 0 FBADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001080960913 838124366 /nfs/dbraw/zinc/12/43/66/838124366.db2.gz LUJZBZKBCRLXJG-BPLDGKMQSA-N 0 3 369.491 -0.426 20 0 FBADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001080960914 838124320 /nfs/dbraw/zinc/12/43/20/838124320.db2.gz LUJZBZKBCRLXJG-VHDGCEQUSA-N 0 3 369.491 -0.426 20 0 FBADHN C[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080960994 838124212 /nfs/dbraw/zinc/12/42/12/838124212.db2.gz QNABKOHVOYKQKV-DAXOMENPSA-N 0 3 367.471 -0.193 20 0 FBADHN C[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080960995 838124562 /nfs/dbraw/zinc/12/45/62/838124562.db2.gz QNABKOHVOYKQKV-UHOFOFEASA-N 0 3 367.471 -0.193 20 0 FBADHN C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080960999 838124307 /nfs/dbraw/zinc/12/43/07/838124307.db2.gz QQRDXLXZLNKZMI-KWCYVHTRSA-N 0 3 355.464 -0.909 20 0 FBADHN C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080961000 838124447 /nfs/dbraw/zinc/12/44/47/838124447.db2.gz QQRDXLXZLNKZMI-MRVWCRGKSA-N 0 3 355.464 -0.909 20 0 FBADHN Cc1cc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001080961189 838124164 /nfs/dbraw/zinc/12/41/64/838124164.db2.gz YUMZJSNMZLHQFF-BYCMXARLSA-N 0 3 369.491 -0.372 20 0 FBADHN Cc1cc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001080961190 838123892 /nfs/dbraw/zinc/12/38/92/838123892.db2.gz YUMZJSNMZLHQFF-KCPJHIHWSA-N 0 3 369.491 -0.372 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976953 838121083 /nfs/dbraw/zinc/12/10/83/838121083.db2.gz POFCWFBAEOLASQ-KFWWJZLASA-N 0 3 353.467 -0.831 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080976954 838121852 /nfs/dbraw/zinc/12/18/52/838121852.db2.gz POFCWFBAEOLASQ-RBSFLKMASA-N 0 3 353.467 -0.831 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977061 838121724 /nfs/dbraw/zinc/12/17/24/838121724.db2.gz UUOYMNLEQYWUEL-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@H]2C)C1 ZINC001080977062 838121769 /nfs/dbraw/zinc/12/17/69/838121769.db2.gz UUOYMNLEQYWUEL-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001080999716 838125584 /nfs/dbraw/zinc/12/55/84/838125584.db2.gz FCQZRMDUBSLRNU-DGCLKSJQSA-N 0 3 350.423 -0.617 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001080999825 838126029 /nfs/dbraw/zinc/12/60/29/838126029.db2.gz KXKJXQDBXOZOBT-FRRDWIJNSA-N 0 3 350.423 -0.617 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001080999826 838125941 /nfs/dbraw/zinc/12/59/41/838125941.db2.gz KXKJXQDBXOZOBT-JHJVBQTASA-N 0 3 350.423 -0.617 20 0 FBADHN C[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001080999918 838125475 /nfs/dbraw/zinc/12/54/75/838125475.db2.gz OMQKYHWMSMJRRE-MWLCHTKSSA-N 0 3 356.377 -0.141 20 0 FBADHN COC[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001080999998 838126176 /nfs/dbraw/zinc/12/61/76/838126176.db2.gz RQTZVMWCAIGQIB-FRRDWIJNSA-N 0 3 352.439 -0.549 20 0 FBADHN COC[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001080999999 838125551 /nfs/dbraw/zinc/12/55/51/838125551.db2.gz RQTZVMWCAIGQIB-JHJVBQTASA-N 0 3 352.439 -0.549 20 0 FBADHN CO[C@@H](C)CN1C[C@@H](C)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001081000071 838125776 /nfs/dbraw/zinc/12/57/76/838125776.db2.gz WPBCKQABFRXCSH-FRRDWIJNSA-N 0 3 352.439 -0.549 20 0 FBADHN CO[C@H](C)CN1C[C@@H](C)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001081000072 838126149 /nfs/dbraw/zinc/12/61/49/838126149.db2.gz WPBCKQABFRXCSH-JHJVBQTASA-N 0 3 352.439 -0.549 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001081008243 838129272 /nfs/dbraw/zinc/12/92/72/838129272.db2.gz CZWORGPAVRHPLS-ILXRZTDVSA-N 0 3 353.463 -0.025 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NC1(CO)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001081008244 838129211 /nfs/dbraw/zinc/12/92/11/838129211.db2.gz CZWORGPAVRHPLS-KFWWJZLASA-N 0 3 353.463 -0.025 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NC1(CO)CCN(C(=O)CN2CCCC2)CC1 ZINC001081009490 838130197 /nfs/dbraw/zinc/13/01/97/838130197.db2.gz JLUXNKYDKMMDPS-ZBFHGGJFSA-N 0 3 353.463 -0.023 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001081037005 838131471 /nfs/dbraw/zinc/13/14/71/838131471.db2.gz NGXBMJWSMNCBEB-QLFBSQMISA-N 0 3 369.491 -0.399 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001081037006 838131866 /nfs/dbraw/zinc/13/18/66/838131866.db2.gz NGXBMJWSMNCBEB-RBSFLKMASA-N 0 3 369.491 -0.399 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001081173628 838135364 /nfs/dbraw/zinc/13/53/64/838135364.db2.gz FIMMVBNAAALMSA-AEGPPILISA-N 0 3 365.455 -0.509 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC[C@H]2CCS(=O)(=O)C2)C1 ZINC001081173629 838135131 /nfs/dbraw/zinc/13/51/31/838135131.db2.gz FIMMVBNAAALMSA-VHDGCEQUSA-N 0 3 365.455 -0.509 20 0 FBADHN CO[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1=COCCO1 ZINC001081317338 838138310 /nfs/dbraw/zinc/13/83/10/838138310.db2.gz CYXWGKYRMMWQPD-BFHYXJOUSA-N 0 3 353.419 -0.394 20 0 FBADHN CO[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1=COCCO1 ZINC001081317339 838138713 /nfs/dbraw/zinc/13/87/13/838138713.db2.gz CYXWGKYRMMWQPD-MGPQQGTHSA-N 0 3 353.419 -0.394 20 0 FBADHN CO[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334346 838142380 /nfs/dbraw/zinc/14/23/80/838142380.db2.gz OEVZSTGMVJWYST-QLFBSQMISA-N 0 3 352.439 -0.570 20 0 FBADHN CO[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334347 838141796 /nfs/dbraw/zinc/14/17/96/838141796.db2.gz OEVZSTGMVJWYST-RBSFLKMASA-N 0 3 352.439 -0.570 20 0 FBADHN CO[C@@H](CN1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1)C1CCCC1 ZINC001081334409 838142273 /nfs/dbraw/zinc/14/22/73/838142273.db2.gz QYGLVXVEKTZQOW-QLFBSQMISA-N 0 3 352.439 -0.306 20 0 FBADHN CO[C@H](CN1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1)C1CCCC1 ZINC001081334410 838142400 /nfs/dbraw/zinc/14/24/00/838142400.db2.gz QYGLVXVEKTZQOW-RBSFLKMASA-N 0 3 352.439 -0.306 20 0 FBADHN CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334547 838142427 /nfs/dbraw/zinc/14/24/27/838142427.db2.gz YQKNYBWPCMLRKC-HUUCEWRRSA-N 0 3 352.439 -0.305 20 0 FBADHN CO[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1cnsn1 ZINC001081399166 838148742 /nfs/dbraw/zinc/14/87/42/838148742.db2.gz BKIUIDJAYYWPRQ-CYZMBNFOSA-N 0 3 353.448 -0.117 20 0 FBADHN CO[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1cnsn1 ZINC001081399167 838149113 /nfs/dbraw/zinc/14/91/13/838149113.db2.gz BKIUIDJAYYWPRQ-RAIGVLPGSA-N 0 3 353.448 -0.117 20 0 FBADHN CO[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001081445839 838158523 /nfs/dbraw/zinc/15/85/23/838158523.db2.gz CSEKOJRKUVVWHJ-BZUAXINKSA-N 0 3 350.467 -0.195 20 0 FBADHN CO[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001081445840 838159117 /nfs/dbraw/zinc/15/91/17/838159117.db2.gz CSEKOJRKUVVWHJ-OWCLPIDISA-N 0 3 350.467 -0.195 20 0 FBADHN CO[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001081448688 838158591 /nfs/dbraw/zinc/15/85/91/838158591.db2.gz PCXWGJOCXZPSJD-BZUAXINKSA-N 0 3 352.479 -0.092 20 0 FBADHN CO[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001081448689 838158391 /nfs/dbraw/zinc/15/83/91/838158391.db2.gz PCXWGJOCXZPSJD-OWCLPIDISA-N 0 3 352.479 -0.092 20 0 FBADHN CO[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC001081458739 838154259 /nfs/dbraw/zinc/15/42/59/838154259.db2.gz RXSWJUMQSUOYGV-BFHYXJOUSA-N 0 3 370.475 -0.110 20 0 FBADHN CO[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC001081458740 838153966 /nfs/dbraw/zinc/15/39/66/838153966.db2.gz RXSWJUMQSUOYGV-MGPQQGTHSA-N 0 3 370.475 -0.110 20 0 FBADHN CO[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)Cc1ccon1 ZINC001081464868 838154026 /nfs/dbraw/zinc/15/40/26/838154026.db2.gz TYXVMNMSUPEWBZ-BPLDGKMQSA-N 0 3 350.419 -0.051 20 0 FBADHN CO[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)Cc1ccon1 ZINC001081464869 838153729 /nfs/dbraw/zinc/15/37/29/838153729.db2.gz TYXVMNMSUPEWBZ-NWANDNLSSA-N 0 3 350.419 -0.051 20 0 FBADHN CO[C@@H]1CN(CCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001081481299 838155345 /nfs/dbraw/zinc/15/53/45/838155345.db2.gz DBBGQENTZNQCJA-BRWVUGGUSA-N 0 3 355.479 -0.051 20 0 FBADHN CO[C@@H]1CN(CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001081481300 838155036 /nfs/dbraw/zinc/15/50/36/838155036.db2.gz DBBGQENTZNQCJA-ZACQAIPSSA-N 0 3 355.479 -0.051 20 0 FBADHN CCOC1CC(CN2C[C@@H](NC(=O)CN3CCOCC3)[C@H](OC)C2)C1 ZINC001081555268 838162907 /nfs/dbraw/zinc/16/29/07/838162907.db2.gz OWWCOQYDXCIHPG-BHUNQDJPSA-N 0 3 355.479 -0.051 20 0 FBADHN CO[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001081557435 838162559 /nfs/dbraw/zinc/16/25/59/838162559.db2.gz PIBDXEHTGLYPPF-BRWVUGGUSA-N 0 3 355.479 -0.049 20 0 FBADHN 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JDXTVXHZVURSKP-ZIAGYGMSSA-N 0 3 351.451 -0.003 20 0 FBADHN CC[C@H](CN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](OC)C1)OC ZINC001082323589 838768074 /nfs/dbraw/zinc/76/80/74/838768074.db2.gz DDUPPUAMXKQSEI-JHJVBQTASA-N 0 3 356.423 -0.879 20 0 FBADHN CC[C@@H](CN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](OC)C1)OC ZINC001082323590 838767998 /nfs/dbraw/zinc/76/79/98/838767998.db2.gz DDUPPUAMXKQSEI-YNEHKIRRSA-N 0 3 356.423 -0.879 20 0 FBADHN CO[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC001082327730 838763996 /nfs/dbraw/zinc/76/39/96/838763996.db2.gz LUJUPNYCHFYGFV-JHJVBQTASA-N 0 3 351.451 -0.021 20 0 FBADHN CO[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC001082327731 838764296 /nfs/dbraw/zinc/76/42/96/838764296.db2.gz LUJUPNYCHFYGFV-YNEHKIRRSA-N 0 3 351.451 -0.021 20 0 FBADHN CC[C@H](CN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1)OC ZINC001082336764 838772685 /nfs/dbraw/zinc/77/26/85/838772685.db2.gz JATQUVPBPYYTDY-RBSFLKMASA-N 0 3 352.435 -0.208 20 0 FBADHN CC[C@@H](CN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1)OC ZINC001082336765 838772364 /nfs/dbraw/zinc/77/23/64/838772364.db2.gz JATQUVPBPYYTDY-RRFJBIMHSA-N 0 3 352.435 -0.208 20 0 FBADHN CO[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001082346005 838769292 /nfs/dbraw/zinc/76/92/92/838769292.db2.gz LURFRLUQSHWXNA-BPLDGKMQSA-N 0 3 370.475 -0.489 20 0 FBADHN CO[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001082346006 838769043 /nfs/dbraw/zinc/76/90/43/838769043.db2.gz LURFRLUQSHWXNA-NWANDNLSSA-N 0 3 370.475 -0.489 20 0 FBADHN COCCn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2OC)cn1 ZINC001082348401 838772059 /nfs/dbraw/zinc/77/20/59/838772059.db2.gz ZVMUCVZUGSHPCH-FVQBIDKESA-N 0 3 352.435 -0.005 20 0 FBADHN COCCn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2OC)cn1 ZINC001082348402 838772244 /nfs/dbraw/zinc/77/22/44/838772244.db2.gz ZVMUCVZUGSHPCH-NUEKZKHPSA-N 0 3 352.435 -0.005 20 0 FBADHN CC[C@@H](CN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](OC)C1)OC ZINC001082351063 838775378 /nfs/dbraw/zinc/77/53/78/838775378.db2.gz AGGWWLYDYMVMPB-BFHYXJOUSA-N 0 3 355.439 -0.869 20 0 FBADHN CC[C@H](CN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](OC)C1)OC ZINC001082351064 838774949 /nfs/dbraw/zinc/77/49/49/838774949.db2.gz AGGWWLYDYMVMPB-MGPQQGTHSA-N 0 3 355.439 -0.869 20 0 FBADHN CO[C@@H]1CN(CC[C@@H](C)F)C[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001082355541 838773276 /nfs/dbraw/zinc/77/32/76/838773276.db2.gz CMCKWOAAYLEZHK-IJLUTSLNSA-N 0 3 358.414 -0.120 20 0 FBADHN CO[C@@H]1CN(CC[C@H](C)F)C[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001082355542 838773544 /nfs/dbraw/zinc/77/35/44/838773544.db2.gz CMCKWOAAYLEZHK-QJPTWQEYSA-N 0 3 358.414 -0.120 20 0 FBADHN CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001082358766 838774808 /nfs/dbraw/zinc/77/48/08/838774808.db2.gz PUQYIUOHTAJLSO-BPLDGKMQSA-N 0 3 350.419 -0.222 20 0 FBADHN CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001082358767 838775345 /nfs/dbraw/zinc/77/53/45/838775345.db2.gz PUQYIUOHTAJLSO-NWANDNLSSA-N 0 3 350.419 -0.222 20 0 FBADHN CO[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)Cn1cncn1 ZINC001082359839 838776656 /nfs/dbraw/zinc/77/66/56/838776656.db2.gz WCELVUSDTYGAGA-BFHYXJOUSA-N 0 3 350.423 -0.990 20 0 FBADHN CO[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)Cn1cncn1 ZINC001082359840 838776585 /nfs/dbraw/zinc/77/65/85/838776585.db2.gz WCELVUSDTYGAGA-MGPQQGTHSA-N 0 3 350.423 -0.990 20 0 FBADHN CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082360442 838776475 /nfs/dbraw/zinc/77/64/75/838776475.db2.gz BJPXXJDQWFGLSD-ZIAGYGMSSA-N 0 3 352.435 -0.066 20 0 FBADHN CO[C@@H]1CN(CCc2cccs2)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082360666 838775920 /nfs/dbraw/zinc/77/59/20/838775920.db2.gz MLSXMDKYMQXYMY-CHWSQXEVSA-N 0 3 366.443 -0.342 20 0 FBADHN CC[C@H](CN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](OC)C1)OC ZINC001082360899 838776344 /nfs/dbraw/zinc/77/63/44/838776344.db2.gz ZCWMLNPGAJQNKE-JHJVBQTASA-N 0 3 356.423 -0.879 20 0 FBADHN CC[C@@H](CN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](OC)C1)OC ZINC001082360900 838775985 /nfs/dbraw/zinc/77/59/85/838775985.db2.gz ZCWMLNPGAJQNKE-YNEHKIRRSA-N 0 3 356.423 -0.879 20 0 FBADHN CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082361214 838777786 /nfs/dbraw/zinc/77/77/86/838777786.db2.gz PGZLLAYGZWFGGN-ZIAGYGMSSA-N 0 3 350.419 -0.146 20 0 FBADHN CO[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082361324 838777502 /nfs/dbraw/zinc/77/75/02/838777502.db2.gz VSOGNFJLQBTKEK-GHMZBOCLSA-N 0 3 360.361 -0.601 20 0 FBADHN CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001082362704 838777629 /nfs/dbraw/zinc/77/76/29/838777629.db2.gz VDHSUXVMOKAQFJ-BFHYXJOUSA-N 0 3 353.419 -0.480 20 0 FBADHN CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001082362705 838777583 /nfs/dbraw/zinc/77/75/83/838777583.db2.gz VDHSUXVMOKAQFJ-MGPQQGTHSA-N 0 3 353.419 -0.480 20 0 FBADHN CO[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001082362784 838778896 /nfs/dbraw/zinc/77/88/96/838778896.db2.gz YEVMTFUQDGAMOO-VXGBXAGGSA-N 0 3 359.373 -0.004 20 0 FBADHN CC[C@@H](CN1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](OC)C1)OC ZINC001082367333 838780514 /nfs/dbraw/zinc/78/05/14/838780514.db2.gz ZGIOFSUDTOVMRN-CYZMBNFOSA-N 0 3 354.407 -0.660 20 0 FBADHN CC[C@H](CN1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](OC)C1)OC ZINC001082367334 838780158 /nfs/dbraw/zinc/78/01/58/838780158.db2.gz ZGIOFSUDTOVMRN-RAIGVLPGSA-N 0 3 354.407 -0.660 20 0 FBADHN CO[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001082370160 838782078 /nfs/dbraw/zinc/78/20/78/838782078.db2.gz UWSHYFNZOWPJSM-HZPDHXFCSA-N 0 3 352.479 -0.090 20 0 FBADHN CO[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CN1CCCC1 ZINC001082370262 838782722 /nfs/dbraw/zinc/78/27/22/838782722.db2.gz ZLBMOEOSNCMGEZ-ARFHVFGLSA-N 0 3 351.451 -0.845 20 0 FBADHN CO[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CN1CCCC1 ZINC001082370263 838782759 /nfs/dbraw/zinc/78/27/59/838782759.db2.gz ZLBMOEOSNCMGEZ-BZUAXINKSA-N 0 3 351.451 -0.845 20 0 FBADHN CO[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1NC(=O)CN1CCCC1 ZINC001082370909 838782172 /nfs/dbraw/zinc/78/21/72/838782172.db2.gz IHVKVWIHOFVOFQ-HZPDHXFCSA-N 0 3 350.467 -0.194 20 0 FBADHN CO[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001082372399 838782698 /nfs/dbraw/zinc/78/26/98/838782698.db2.gz HASSXQUTWWVRMV-KCPJHIHWSA-N 0 3 350.419 -0.031 20 0 FBADHN CO[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001082372400 838781691 /nfs/dbraw/zinc/78/16/91/838781691.db2.gz HASSXQUTWWVRMV-NILFDRSVSA-N 0 3 350.419 -0.031 20 0 FBADHN CO[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001082374413 838783960 /nfs/dbraw/zinc/78/39/60/838783960.db2.gz AUTNJOHVEKJMJC-IJLUTSLNSA-N 0 3 367.418 -0.461 20 0 FBADHN CO[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001082374414 838783842 /nfs/dbraw/zinc/78/38/42/838783842.db2.gz AUTNJOHVEKJMJC-QJPTWQEYSA-N 0 3 367.418 -0.461 20 0 FBADHN CO[C@@H]1CN(CCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001082374601 838784163 /nfs/dbraw/zinc/78/41/63/838784163.db2.gz JOIHVKASGYAMQB-ARFHVFGLSA-N 0 3 367.471 -0.264 20 0 FBADHN CO[C@@H]1CN(CCc2ccccc2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001082374602 838783586 /nfs/dbraw/zinc/78/35/86/838783586.db2.gz JOIHVKASGYAMQB-BZUAXINKSA-N 0 3 367.471 -0.264 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@H]2OC)C1 ZINC001082379236 838788103 /nfs/dbraw/zinc/78/81/03/838788103.db2.gz OMKPXBCUXPWIRT-MCIONIFRSA-N 0 3 352.439 -0.851 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@H]2OC)C1 ZINC001082379237 838788045 /nfs/dbraw/zinc/78/80/45/838788045.db2.gz OMKPXBCUXPWIRT-MGPQQGTHSA-N 0 3 352.439 -0.851 20 0 FBADHN CO[C@@H]1CN(CCC(C)(C)C)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001082384456 838791317 /nfs/dbraw/zinc/79/13/17/838791317.db2.gz XLCTZJDPFYGLOJ-DGCLKSJQSA-N 0 3 352.439 -0.371 20 0 FBADHN CO[C@@H]1CN(CC2CC(C)C2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001082385220 838790921 /nfs/dbraw/zinc/79/09/21/838790921.db2.gz IDTWRBYKFAEPPR-UAKHECDHSA-N 0 3 350.423 -0.762 20 0 FBADHN CCCCN1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](OC)C1 ZINC001082385316 838791169 /nfs/dbraw/zinc/79/11/69/838791169.db2.gz VIVQPNNDCUWJQJ-TZMCWYRMSA-N 0 3 352.439 -0.405 20 0 FBADHN CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001082385322 838791282 /nfs/dbraw/zinc/79/12/82/838791282.db2.gz VZBKDBCSEZSFSG-TZMCWYRMSA-N 0 3 350.423 -0.795 20 0 FBADHN CO[C@@H]1CN(CC(C)C)C[C@H]1NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001082385325 838791569 /nfs/dbraw/zinc/79/15/69/838791569.db2.gz WIJYWBGZBCQJHM-TZMCWYRMSA-N 0 3 352.439 -0.549 20 0 FBADHN CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001082387022 838792717 /nfs/dbraw/zinc/79/27/17/838792717.db2.gz IFPBNFOEJIASLZ-GZBFAFLISA-N 0 3 352.435 -0.278 20 0 FBADHN CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001082387023 838792734 /nfs/dbraw/zinc/79/27/34/838792734.db2.gz IFPBNFOEJIASLZ-UMVBOHGHSA-N 0 3 352.435 -0.278 20 0 FBADHN 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838803342 /nfs/dbraw/zinc/80/33/42/838803342.db2.gz PXTVHPGANOBMOC-UMVBOHGHSA-N 0 3 370.519 -0.135 20 0 FBADHN CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001082432547 838803088 /nfs/dbraw/zinc/80/30/88/838803088.db2.gz PXTVHPGANOBMOC-VNHYZAJKSA-N 0 3 370.519 -0.135 20 0 FBADHN CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082432605 838804304 /nfs/dbraw/zinc/80/43/04/838804304.db2.gz SUZDVKBRYVUZPB-MBNYWOFBSA-N 0 3 370.519 -0.102 20 0 FBADHN CS[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082432606 838803951 /nfs/dbraw/zinc/80/39/51/838803951.db2.gz SUZDVKBRYVUZPB-YRGRVCCFSA-N 0 3 370.519 -0.102 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082434466 838803234 /nfs/dbraw/zinc/80/32/34/838803234.db2.gz GOKSRWSSQPBHSH-MWLCHTKSSA-N 0 3 364.431 -0.814 20 0 FBADHN Cc1ncsc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001082435062 838804066 /nfs/dbraw/zinc/80/40/66/838804066.db2.gz 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C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082437964 838804259 /nfs/dbraw/zinc/80/42/59/838804259.db2.gz IQUCAMGJGIADPT-ZYHUDNBSSA-N 0 3 363.443 -0.209 20 0 FBADHN C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082438023 838804373 /nfs/dbraw/zinc/80/43/73/838804373.db2.gz NCFAIQFEDCLLSM-GHMZBOCLSA-N 0 3 351.432 -0.848 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082438232 838805273 /nfs/dbraw/zinc/80/52/73/838805273.db2.gz GPYYXIKDHDECGT-ZIAGYGMSSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(=O)N1CCCC[C@@H]1C ZINC001082438325 838804655 /nfs/dbraw/zinc/80/46/55/838804655.db2.gz OGEGCNXHHPTQLC-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(=O)N1CCCC[C@H]1C ZINC001082438326 838804996 /nfs/dbraw/zinc/80/49/96/838804996.db2.gz OGEGCNXHHPTQLC-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCc1cccc(C(N)=O)c1 ZINC001082438480 838805619 /nfs/dbraw/zinc/80/56/19/838805619.db2.gz BXBIYNUXKNETDE-BXUZGUMPSA-N 0 3 353.444 -0.233 20 0 FBADHN COc1ncc(CN[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C)c(C)n1 ZINC001082438580 838805747 /nfs/dbraw/zinc/80/57/47/838805747.db2.gz MWRMKVIPIFQZCB-ZWNOBZJWSA-N 0 3 356.448 -0.225 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(=O)N1CCC[C@H](C)C1 ZINC001082438609 838805469 /nfs/dbraw/zinc/80/54/69/838805469.db2.gz RIIGVZFXQCJIGU-BFHYXJOUSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(=O)N1CCC[C@@H](C)C1 ZINC001082438610 838805200 /nfs/dbraw/zinc/80/52/00/838805200.db2.gz RIIGVZFXQCJIGU-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082438650 838804707 /nfs/dbraw/zinc/80/47/07/838804707.db2.gz VWTPVEVPKWTTIE-ZIAGYGMSSA-N 0 3 359.492 -0.130 20 0 FBADHN CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001082439580 838804774 /nfs/dbraw/zinc/80/47/74/838804774.db2.gz CBRLNEZXPATKPM-UMVBOHGHSA-N 0 3 354.451 -0.852 20 0 FBADHN CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001082439581 838805977 /nfs/dbraw/zinc/80/59/77/838805977.db2.gz CBRLNEZXPATKPM-VNHYZAJKSA-N 0 3 354.451 -0.852 20 0 FBADHN CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082439823 838805495 /nfs/dbraw/zinc/80/54/95/838805495.db2.gz MUOZTYNDLGZUPX-MBNYWOFBSA-N 0 3 354.451 -0.818 20 0 FBADHN CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082439824 838804730 /nfs/dbraw/zinc/80/47/30/838804730.db2.gz MUOZTYNDLGZUPX-YRGRVCCFSA-N 0 3 354.451 -0.818 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082441013 838804867 /nfs/dbraw/zinc/80/48/67/838804867.db2.gz DPAANXPUDCGARR-ZYHUDNBSSA-N 0 3 367.431 -0.996 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC001082441083 838804635 /nfs/dbraw/zinc/80/46/35/838804635.db2.gz IJKZIVIHPJZVSA-KWCYVHTRSA-N 0 3 357.476 -0.379 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC001082441084 838805293 /nfs/dbraw/zinc/80/52/93/838805293.db2.gz IJKZIVIHPJZVSA-MRVWCRGKSA-N 0 3 357.476 -0.379 20 0 FBADHN COc1coc(CN[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C)cc1=O ZINC001082441164 838805792 /nfs/dbraw/zinc/80/57/92/838805792.db2.gz NQHRDCWCMOLJAW-ZYHUDNBSSA-N 0 3 358.416 -0.371 20 0 FBADHN C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082441168 838805875 /nfs/dbraw/zinc/80/58/75/838805875.db2.gz NZDPIOAXLQICBR-MWLCHTKSSA-N 0 3 362.352 -0.027 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082441215 838804607 /nfs/dbraw/zinc/80/46/07/838804607.db2.gz QUTPLHFNGDCDND-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082441216 838805646 /nfs/dbraw/zinc/80/56/46/838805646.db2.gz QUTPLHFNGDCDND-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N[C@H]1CCN(C(C)(C)C)C1=O ZINC001082441220 838807008 /nfs/dbraw/zinc/80/70/08/838807008.db2.gz RLDHYNGCHCMJLH-FRRDWIJNSA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001082441221 838807159 /nfs/dbraw/zinc/80/71/59/838807159.db2.gz RLDHYNGCHCMJLH-JHJVBQTASA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082442346 838807355 /nfs/dbraw/zinc/80/73/55/838807355.db2.gz HWWNTOMBDBORIK-NXEZZACHSA-N 0 3 350.341 -0.666 20 0 FBADHN CC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001082443040 838806251 /nfs/dbraw/zinc/80/62/51/838806251.db2.gz LGQLMOBWXZWXEE-BNOWGMLFSA-N 0 3 352.435 -0.555 20 0 FBADHN CC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001082443041 838806983 /nfs/dbraw/zinc/80/69/83/838806983.db2.gz LGQLMOBWXZWXEE-MRVWCRGKSA-N 0 3 352.435 -0.555 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082443631 838807424 /nfs/dbraw/zinc/80/74/24/838807424.db2.gz WQXBBDAHCSWFJR-MBNYWOFBSA-N 0 3 350.419 -0.943 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082443632 838807029 /nfs/dbraw/zinc/80/70/29/838807029.db2.gz WQXBBDAHCSWFJR-YRGRVCCFSA-N 0 3 350.419 -0.943 20 0 FBADHN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCNC(=O)C3)C2)s1 ZINC001082445915 838806194 /nfs/dbraw/zinc/80/61/94/838806194.db2.gz OUGBRMSAKBFKHI-ZYHUDNBSSA-N 0 3 365.459 -0.540 20 0 FBADHN C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082446296 838806504 /nfs/dbraw/zinc/80/65/04/838806504.db2.gz SVRDDPYTFNCUOU-ZYHUDNBSSA-N 0 3 363.443 -0.209 20 0 FBADHN C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082446460 838806926 /nfs/dbraw/zinc/80/69/26/838806926.db2.gz PACFPAYTFSZKCI-GHMZBOCLSA-N 0 3 351.432 -0.848 20 0 FBADHN C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082446788 838806591 /nfs/dbraw/zinc/80/65/91/838806591.db2.gz UREPKKALLCBKBC-TZMCWYRMSA-N 0 3 350.419 -0.924 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082448123 838807197 /nfs/dbraw/zinc/80/71/97/838807197.db2.gz DZZVDSNZQYHSOZ-RBSFLKMASA-N 0 3 350.463 -0.040 20 0 FBADHN Cc1cc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)no1 ZINC001082451919 838803543 /nfs/dbraw/zinc/80/35/43/838803543.db2.gz KXADYXQXEVSXDJ-IUODEOHRSA-N 0 3 350.419 -0.179 20 0 FBADHN Cc1csc2nc(CN[C@@H]3CN(C(=O)CC(N)=O)C[C@H]3C)cc(=O)n12 ZINC001082453987 838807056 /nfs/dbraw/zinc/80/70/56/838807056.db2.gz JDBVMBYRDITYPH-BXKDBHETSA-N 0 3 363.443 -0.124 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082454010 838806343 /nfs/dbraw/zinc/80/63/43/838806343.db2.gz MKUJCFRZQMHZLL-UMVBOHGHSA-N 0 3 350.419 -0.099 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082454011 838807369 /nfs/dbraw/zinc/80/73/69/838807369.db2.gz MKUJCFRZQMHZLL-VNHYZAJKSA-N 0 3 350.419 -0.099 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001082454201 838807417 /nfs/dbraw/zinc/80/74/17/838807417.db2.gz FLDYLPFACHEYGI-KXUCPTDWSA-N 0 3 350.341 -0.539 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001082454202 838807487 /nfs/dbraw/zinc/80/74/87/838807487.db2.gz FLDYLPFACHEYGI-OPRDCNLKSA-N 0 3 350.341 -0.539 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N1CCc2sccc2C1 ZINC001082454306 838807216 /nfs/dbraw/zinc/80/72/16/838807216.db2.gz MLQCJDPDONIYRQ-DGCLKSJQSA-N 0 3 364.471 -0.055 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCc1ccc(S(C)(=O)=O)cc1 ZINC001082454430 838806228 /nfs/dbraw/zinc/80/62/28/838806228.db2.gz WLNGAKOHINHMEH-BXUZGUMPSA-N 0 3 353.444 -0.098 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCc1cccc(S(C)(=O)=O)c1 ZINC001082454431 838808247 /nfs/dbraw/zinc/80/82/47/838808247.db2.gz WMUPIOVPLLMOTP-BXUZGUMPSA-N 0 3 353.444 -0.098 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)nnn1C ZINC001082456889 838808800 /nfs/dbraw/zinc/80/88/00/838808800.db2.gz PERXWLMPLYPRAD-DGCLKSJQSA-N 0 3 350.423 -0.968 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082457723 838808280 /nfs/dbraw/zinc/80/82/80/838808280.db2.gz BGNDMPXPMWGJBF-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082457724 838808857 /nfs/dbraw/zinc/80/88/57/838808857.db2.gz BGNDMPXPMWGJBF-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC001082458470 838807948 /nfs/dbraw/zinc/80/79/48/838807948.db2.gz QCDRMTOTDXUHAR-XNRPHZJLSA-N 0 3 350.467 -0.126 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC001082458471 838809165 /nfs/dbraw/zinc/80/91/65/838809165.db2.gz QCDRMTOTDXUHAR-XPKDYRNWSA-N 0 3 350.467 -0.126 20 0 FBADHN C[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082465531 838807693 /nfs/dbraw/zinc/80/76/93/838807693.db2.gz XMXOEZFBYCEQDK-UKRRQHHQSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082465587 838809515 /nfs/dbraw/zinc/80/95/15/838809515.db2.gz CMYCBWWOILYBGN-CHWSQXEVSA-N 0 3 350.423 -0.967 20 0 FBADHN C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1NCc1ncnn1CCF ZINC001082465602 838810118 /nfs/dbraw/zinc/81/01/18/838810118.db2.gz DRIDZGIYPSKSDT-VXGBXAGGSA-N 0 3 350.402 -0.065 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082469530 838806658 /nfs/dbraw/zinc/80/66/58/838806658.db2.gz PWSBNTSOZJHHSW-ZYHUDNBSSA-N 0 3 358.389 -0.573 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082472493 838809721 /nfs/dbraw/zinc/80/97/21/838809721.db2.gz NHFPRXRTVOMFLC-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082472494 838810316 /nfs/dbraw/zinc/81/03/16/838810316.db2.gz NHFPRXRTVOMFLC-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082475261 838810248 /nfs/dbraw/zinc/81/02/48/838810248.db2.gz NXMLELSEKYEYMT-HZSPNIEDSA-N 0 3 353.419 -0.765 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082475262 838809840 /nfs/dbraw/zinc/80/98/40/838809840.db2.gz NXMLELSEKYEYMT-MGPQQGTHSA-N 0 3 353.419 -0.765 20 0 FBADHN CC[C@@H](SC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001082477713 838810813 /nfs/dbraw/zinc/81/08/13/838810813.db2.gz VNRGDSLPOCUZDQ-JHJVBQTASA-N 0 3 356.492 -0.477 20 0 FBADHN CC[C@H](SC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001082477714 838811971 /nfs/dbraw/zinc/81/19/71/838811971.db2.gz VNRGDSLPOCUZDQ-UPJWGTAASA-N 0 3 356.492 -0.477 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C ZINC001082477936 838811321 /nfs/dbraw/zinc/81/13/21/838811321.db2.gz CZOIYLRCPNWASD-UKRRQHHQSA-N 0 3 350.467 -0.125 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082478487 838811696 /nfs/dbraw/zinc/81/16/96/838811696.db2.gz ZFMBQNJMMPDHAC-HZPDHXFCSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082481249 838812029 /nfs/dbraw/zinc/81/20/29/838812029.db2.gz MSNJHXZDNCJFLD-DDUZABMNSA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082481250 838811720 /nfs/dbraw/zinc/81/17/20/838811720.db2.gz MSNJHXZDNCJFLD-SIIHOXLZSA-N 0 3 353.463 -0.167 20 0 FBADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)C1=O ZINC001082481496 838811161 /nfs/dbraw/zinc/81/11/61/838811161.db2.gz YSZQWTKSZSIWHT-BZUAXINKSA-N 0 3 352.479 -0.236 20 0 FBADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)C1=O ZINC001082481497 838810957 /nfs/dbraw/zinc/81/09/57/838810957.db2.gz YSZQWTKSZSIWHT-OWCLPIDISA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1)n1cncn1 ZINC001082481800 838811008 /nfs/dbraw/zinc/81/10/08/838811008.db2.gz QNUZVOBCAWHTOD-HZSPNIEDSA-N 0 3 350.423 -0.866 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1)n1cncn1 ZINC001082481801 838810990 /nfs/dbraw/zinc/81/09/90/838810990.db2.gz QNUZVOBCAWHTOD-MGPQQGTHSA-N 0 3 350.423 -0.866 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082482475 838811443 /nfs/dbraw/zinc/81/14/43/838811443.db2.gz JUHDPDOSCNYVGT-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082482476 838810936 /nfs/dbraw/zinc/81/09/36/838810936.db2.gz JUHDPDOSCNYVGT-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN Cc1nscc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001082483173 838811275 /nfs/dbraw/zinc/81/12/75/838811275.db2.gz LUNZUUPRMOYAGJ-ZWNOBZJWSA-N 0 3 365.459 -0.540 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C ZINC001082483178 838810865 /nfs/dbraw/zinc/81/08/65/838810865.db2.gz LXDYWGVWRUVWDQ-XNRPHZJLSA-N 0 3 350.467 -0.126 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C ZINC001082483179 838811063 /nfs/dbraw/zinc/81/10/63/838811063.db2.gz LXDYWGVWRUVWDQ-XPKDYRNWSA-N 0 3 350.467 -0.126 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082483543 838810424 /nfs/dbraw/zinc/81/04/24/838810424.db2.gz OBOOGUVZEJMVDR-CHWSQXEVSA-N 0 3 350.423 -0.567 20 0 FBADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C)C1=O ZINC001082484064 838809786 /nfs/dbraw/zinc/80/97/86/838809786.db2.gz DRYOEUMACWPDHU-FRRDWIJNSA-N 0 3 350.423 -0.571 20 0 FBADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C)C1=O ZINC001082484065 838810294 /nfs/dbraw/zinc/81/02/94/838810294.db2.gz DRYOEUMACWPDHU-JHJVBQTASA-N 0 3 350.423 -0.571 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)on1 ZINC001082484623 838810191 /nfs/dbraw/zinc/81/01/91/838810191.db2.gz WPGCSFUKXSLIDA-VXGBXAGGSA-N 0 3 352.391 -0.408 20 0 FBADHN C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082487223 838814520 /nfs/dbraw/zinc/81/45/20/838814520.db2.gz YTNOITMMIBVJQT-ZIAGYGMSSA-N 0 3 355.435 -0.565 20 0 FBADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001082489973 838814273 /nfs/dbraw/zinc/81/42/73/838814273.db2.gz WTCCZMYNYBBBMZ-CZUORRHYSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCN(C(C)C)C3=O)C2)C1 ZINC001082490374 838814018 /nfs/dbraw/zinc/81/40/18/838814018.db2.gz WHMXWTMYXMNUDX-DAXOMENPSA-N 0 3 350.463 -0.090 20 0 FBADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](N[C@H]3CCN(C(C)C)C3=O)C2)C1 ZINC001082490375 838814346 /nfs/dbraw/zinc/81/43/46/838814346.db2.gz WHMXWTMYXMNUDX-UHOFOFEASA-N 0 3 350.463 -0.090 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082490716 838813883 /nfs/dbraw/zinc/81/38/83/838813883.db2.gz VEMRJNCXUSXYDO-ZYHUDNBSSA-N 0 3 368.821 -0.059 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCNC(=O)C3)C2)ns1 ZINC001082490841 838813783 /nfs/dbraw/zinc/81/37/83/838813783.db2.gz IPCPRGSMBMASKG-ZWNOBZJWSA-N 0 3 365.459 -0.540 20 0 FBADHN C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082493415 838815780 /nfs/dbraw/zinc/81/57/80/838815780.db2.gz LHOWEAGUYTUIBF-DGCLKSJQSA-N 0 3 352.435 -0.819 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082494807 838815753 /nfs/dbraw/zinc/81/57/53/838815753.db2.gz QMBAUHHCVRZLBH-PRLABOORSA-N 0 3 353.463 -0.167 20 0 FBADHN COc1coc(CN[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C)cc1=O ZINC001082495445 838812432 /nfs/dbraw/zinc/81/24/32/838812432.db2.gz LFASPBPLNCBEQV-JLLWLGSASA-N 0 3 351.359 -0.307 20 0 FBADHN COc1coc(CN[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C)cc1=O ZINC001082495446 838812655 /nfs/dbraw/zinc/81/26/55/838812655.db2.gz LFASPBPLNCBEQV-YUSALJHKSA-N 0 3 351.359 -0.307 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082495886 838813244 /nfs/dbraw/zinc/81/32/44/838813244.db2.gz MAANOCDVLGRSTC-NOOOWODRSA-N 0 3 358.389 -0.718 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082496463 838813058 /nfs/dbraw/zinc/81/30/58/838813058.db2.gz AQPHLYVVLUSGQF-FRRDWIJNSA-N 0 3 350.423 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082496464 838812714 /nfs/dbraw/zinc/81/27/14/838812714.db2.gz AQPHLYVVLUSGQF-JHJVBQTASA-N 0 3 350.423 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082496601 838812872 /nfs/dbraw/zinc/81/28/72/838812872.db2.gz GDZPCQRTHQCXBM-MCIONIFRSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082496602 838812341 /nfs/dbraw/zinc/81/23/41/838812341.db2.gz GDZPCQRTHQCXBM-MGPQQGTHSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082497141 838812297 /nfs/dbraw/zinc/81/22/97/838812297.db2.gz YMRPKNMNTGVFGG-MCIONIFRSA-N 0 3 352.435 -0.210 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082497142 838813167 /nfs/dbraw/zinc/81/31/67/838813167.db2.gz YMRPKNMNTGVFGG-MGPQQGTHSA-N 0 3 352.435 -0.210 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082497769 838815291 /nfs/dbraw/zinc/81/52/91/838815291.db2.gz SENVZVAZCLAMHP-TZMCWYRMSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082497893 838814999 /nfs/dbraw/zinc/81/49/99/838814999.db2.gz FGFMVDXEIBFJMM-ZYHUDNBSSA-N 0 3 368.434 -0.104 20 0 FBADHN CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001082499070 838814893 /nfs/dbraw/zinc/81/48/93/838814893.db2.gz NGAMYIJLRPSFQU-UXIGCNINSA-N 0 3 352.435 -0.963 20 0 FBADHN Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)o1 ZINC001082499077 838815505 /nfs/dbraw/zinc/81/55/05/838815505.db2.gz NLTZLTGBOFHULW-DGCLKSJQSA-N 0 3 351.407 -0.784 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082500018 838815863 /nfs/dbraw/zinc/81/58/63/838815863.db2.gz WDNNLSSALUGNHC-FRRDWIJNSA-N 0 3 350.423 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082500019 838815465 /nfs/dbraw/zinc/81/54/65/838815465.db2.gz WDNNLSSALUGNHC-JHJVBQTASA-N 0 3 350.423 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082500488 838815483 /nfs/dbraw/zinc/81/54/83/838815483.db2.gz USRXWKCCHBQXGC-FRRDWIJNSA-N 0 3 350.423 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082500489 838815178 /nfs/dbraw/zinc/81/51/78/838815178.db2.gz USRXWKCCHBQXGC-JHJVBQTASA-N 0 3 350.423 -0.888 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)n1 ZINC001082500737 838815879 /nfs/dbraw/zinc/81/58/79/838815879.db2.gz QKWJXLJMKPVIQP-TZMCWYRMSA-N 0 3 350.423 -0.793 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082501853 838815339 /nfs/dbraw/zinc/81/53/39/838815339.db2.gz RPGJPZVANMJTKD-ADEWGFFLSA-N 0 3 356.373 -0.324 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082501854 838814948 /nfs/dbraw/zinc/81/49/48/838814948.db2.gz RPGJPZVANMJTKD-YUSALJHKSA-N 0 3 356.373 -0.324 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082502167 838815051 /nfs/dbraw/zinc/81/50/51/838815051.db2.gz HEVSJLWKYUGJPY-CHWSQXEVSA-N 0 3 350.423 -0.793 20 0 FBADHN C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082504092 838816695 /nfs/dbraw/zinc/81/66/95/838816695.db2.gz OPMMRBRUMRYJLE-QLFBSQMISA-N 0 3 353.463 -0.025 20 0 FBADHN C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082504093 838816718 /nfs/dbraw/zinc/81/67/18/838816718.db2.gz OPMMRBRUMRYJLE-RBSFLKMASA-N 0 3 353.463 -0.025 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H]3CCN(C)C3=O)C2)nn1 ZINC001082506567 838816178 /nfs/dbraw/zinc/81/61/78/838816178.db2.gz QCDXSOSHTXFBJZ-FRRDWIJNSA-N 0 3 350.423 -0.795 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001082506568 838816295 /nfs/dbraw/zinc/81/62/95/838816295.db2.gz QCDXSOSHTXFBJZ-JHJVBQTASA-N 0 3 350.423 -0.795 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)nn1 ZINC001082506849 838816892 /nfs/dbraw/zinc/81/68/92/838816892.db2.gz KJEROJKDGQKJTR-CHWSQXEVSA-N 0 3 350.423 -0.793 20 0 FBADHN C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082508137 838816625 /nfs/dbraw/zinc/81/66/25/838816625.db2.gz RIFOCVASBGOXQX-QLFBSQMISA-N 0 3 355.435 -0.913 20 0 FBADHN C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082508138 838817052 /nfs/dbraw/zinc/81/70/52/838817052.db2.gz RIFOCVASBGOXQX-RBSFLKMASA-N 0 3 355.435 -0.913 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082509583 838816738 /nfs/dbraw/zinc/81/67/38/838816738.db2.gz SPHBUZZVFRUFFI-GHMZBOCLSA-N 0 3 358.389 -0.573 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCc1cn(C)nc1C(F)F ZINC001082514004 838818613 /nfs/dbraw/zinc/81/86/13/838818613.db2.gz BPXUXNTZHZKTCA-MWLCHTKSSA-N 0 3 354.365 -0.019 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1N[C@H]1CCNC1=O ZINC001082514099 838818020 /nfs/dbraw/zinc/81/80/20/838818020.db2.gz JPHIOQHZDGFZJJ-GRYCIOLGSA-N 0 3 350.419 -0.904 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1N[C@@H]1CCNC1=O ZINC001082514100 838818592 /nfs/dbraw/zinc/81/85/92/838818592.db2.gz JPHIOQHZDGFZJJ-IJLUTSLNSA-N 0 3 350.419 -0.904 20 0 FBADHN C[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082514399 838816982 /nfs/dbraw/zinc/81/69/82/838816982.db2.gz DSWVMVZMMNYIBP-DGCLKSJQSA-N 0 3 369.853 -0.018 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082517856 838817763 /nfs/dbraw/zinc/81/77/63/838817763.db2.gz KOLWJQUQWUYOSZ-KBUPBQIOSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1N[C@H]1CCNC1=O ZINC001082521865 838817528 /nfs/dbraw/zinc/81/75/28/838817528.db2.gz DCIYJIUCZQSKRP-ADEWGFFLSA-N 0 3 355.416 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082521866 838817418 /nfs/dbraw/zinc/81/74/18/838817418.db2.gz DCIYJIUCZQSKRP-YUSALJHKSA-N 0 3 355.416 -0.378 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C)s1 ZINC001082521924 838818149 /nfs/dbraw/zinc/81/81/49/838818149.db2.gz ITQYQUCFXDDDGO-BXKDBHETSA-N 0 3 363.447 -0.221 20 0 FBADHN C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1NCC(=O)N1CCC1 ZINC001082522049 838818543 /nfs/dbraw/zinc/81/85/43/838818543.db2.gz PHAWICRCTQHUNA-DGCLKSJQSA-N 0 3 369.443 -0.035 20 0 FBADHN Cc1ncsc1CN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001082522124 838818820 /nfs/dbraw/zinc/81/88/20/838818820.db2.gz UIVSZJWDSAXWNM-MWLCHTKSSA-N 0 3 363.447 -0.221 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C)sn1 ZINC001082522203 838817861 /nfs/dbraw/zinc/81/78/61/838817861.db2.gz ZKYJQKUBTJHBDX-BXKDBHETSA-N 0 3 363.447 -0.221 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001082522493 838817587 /nfs/dbraw/zinc/81/75/87/838817587.db2.gz LJHIJBCSFABEQF-XJFOESAGSA-N 0 3 350.467 -0.225 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001082522493 838817572 /nfs/dbraw/zinc/81/75/72/838817572.db2.gz LJHIJBCSFABEQF-XJFOESAGSA-N 0 3 350.467 -0.225 20 0 FBADHN C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082522501 838817941 /nfs/dbraw/zinc/81/79/41/838817941.db2.gz LVEUCHXENWOHIL-KGYLQXTDSA-N 0 3 369.443 -0.036 20 0 FBADHN C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082522502 838818347 /nfs/dbraw/zinc/81/83/47/838818347.db2.gz LVEUCHXENWOHIL-RAIGVLPGSA-N 0 3 369.443 -0.036 20 0 FBADHN CC[C@H](N[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C)C(N)=O ZINC001082522603 838818769 /nfs/dbraw/zinc/81/87/69/838818769.db2.gz RTFCBVGWSFYFBJ-ADEWGFFLSA-N 0 3 357.432 -0.003 20 0 FBADHN CC[C@@H](N[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C)C(N)=O ZINC001082522604 838817455 /nfs/dbraw/zinc/81/74/55/838817455.db2.gz RTFCBVGWSFYFBJ-YUSALJHKSA-N 0 3 357.432 -0.003 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2C)CC1 ZINC001082526613 838821413 /nfs/dbraw/zinc/82/14/13/838821413.db2.gz CVHAZOBYEFGBAC-UKRRQHHQSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCC(=O)N1CCC(C(N)=O)CC1 ZINC001082526657 838821466 /nfs/dbraw/zinc/82/14/66/838821466.db2.gz HWRLBHDYLGGGDP-TZMCWYRMSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001082526774 838821514 /nfs/dbraw/zinc/82/15/14/838821514.db2.gz PMDKPQQQHZMCMP-HZSPNIEDSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001082526775 838821792 /nfs/dbraw/zinc/82/17/92/838821792.db2.gz PMDKPQQQHZMCMP-MGPQQGTHSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082531177 838820317 /nfs/dbraw/zinc/82/03/17/838820317.db2.gz BAUOUGVXNQPMBQ-TZMCWYRMSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1N[C@H]1CCN(C(C)(C)C)C1=O ZINC001082531251 838820001 /nfs/dbraw/zinc/82/00/01/838820001.db2.gz GYRVJHGPSIWFKX-KWCYVHTRSA-N 0 3 371.503 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001082531252 838819967 /nfs/dbraw/zinc/81/99/67/838819967.db2.gz GYRVJHGPSIWFKX-MRVWCRGKSA-N 0 3 371.503 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082531281 838820294 /nfs/dbraw/zinc/82/02/94/838820294.db2.gz JBZMOZIDKYTGJC-DGCLKSJQSA-N 0 3 369.853 -0.018 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCc1cccc(C(N)=O)c1 ZINC001082531316 838820396 /nfs/dbraw/zinc/82/03/96/838820396.db2.gz LGXDUGCFCAYPST-IAQYHMDHSA-N 0 3 365.455 -0.233 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC[C@H]1C ZINC001082531340 838819673 /nfs/dbraw/zinc/81/96/73/838819673.db2.gz MUDBFRDDTOFABM-UMVBOHGHSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC[C@@H]1C ZINC001082531341 838819136 /nfs/dbraw/zinc/81/91/36/838819136.db2.gz MUDBFRDDTOFABM-VNHYZAJKSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082531360 838819098 /nfs/dbraw/zinc/81/90/98/838819098.db2.gz OHQPIFWAYQSCAH-UKRRQHHQSA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC[C@H](C)C1 ZINC001082531367 838819455 /nfs/dbraw/zinc/81/94/55/838819455.db2.gz OURLVTCXSJZLGV-GZBFAFLISA-N 0 3 371.503 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC[C@@H](C)C1 ZINC001082531368 838819840 /nfs/dbraw/zinc/81/98/40/838819840.db2.gz OURLVTCXSJZLGV-UMVBOHGHSA-N 0 3 371.503 -0.274 20 0 FBADHN COc1ncc(CN[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)c(C)n1 ZINC001082531390 838820073 /nfs/dbraw/zinc/82/00/73/838820073.db2.gz QSVQNFCUUHGPLQ-QMTHXVAHSA-N 0 3 368.459 -0.225 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082531404 838818962 /nfs/dbraw/zinc/81/89/62/838818962.db2.gz RZPBVWOWNAJMSL-UKRRQHHQSA-N 0 3 371.503 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC001082531465 838819272 /nfs/dbraw/zinc/81/92/72/838819272.db2.gz XJTNGRBTAOUQNC-BYCMXARLSA-N 0 3 369.487 -0.379 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC001082531466 838819079 /nfs/dbraw/zinc/81/90/79/838819079.db2.gz XJTNGRBTAOUQNC-KCPJHIHWSA-N 0 3 369.487 -0.379 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082531517 838821821 /nfs/dbraw/zinc/82/18/21/838821821.db2.gz APLAAZVEMMFKLE-UMVBOHGHSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082531518 838820881 /nfs/dbraw/zinc/82/08/81/838820881.db2.gz APLAAZVEMMFKLE-VNHYZAJKSA-N 0 3 371.503 -0.132 20 0 FBADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)C1=O ZINC001082531610 838821316 /nfs/dbraw/zinc/82/13/16/838821316.db2.gz HZEMHHZURDRGIU-KWCYVHTRSA-N 0 3 357.476 -0.523 20 0 FBADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)C1=O ZINC001082531611 838821635 /nfs/dbraw/zinc/82/16/35/838821635.db2.gz HZEMHHZURDRGIU-MRVWCRGKSA-N 0 3 357.476 -0.523 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082539696 838821619 /nfs/dbraw/zinc/82/16/19/838821619.db2.gz YZMVDFBAEZVZPY-GHMZBOCLSA-N 0 3 351.432 -0.848 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082540400 838820861 /nfs/dbraw/zinc/82/08/61/838820861.db2.gz CNSILGHIDOHMGM-ZYHUDNBSSA-N 0 3 363.443 -0.209 20 0 FBADHN CC(C)N1C[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)CC1=O ZINC001082541117 838824333 /nfs/dbraw/zinc/82/43/33/838824333.db2.gz KCBUCCRTTLQKAQ-QLFBSQMISA-N 0 3 350.463 -0.088 20 0 FBADHN CC(C)N1C[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)CC1=O ZINC001082541118 838824772 /nfs/dbraw/zinc/82/47/72/838824772.db2.gz KCBUCCRTTLQKAQ-RBSFLKMASA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082541733 838821733 /nfs/dbraw/zinc/82/17/33/838821733.db2.gz JWZWRYLSKUWYQF-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082541734 838820754 /nfs/dbraw/zinc/82/07/54/838820754.db2.gz JWZWRYLSKUWYQF-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)CC1=O ZINC001082542634 838821258 /nfs/dbraw/zinc/82/12/58/838821258.db2.gz PPQQIJDMEVQCHX-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)CC1=O ZINC001082542635 838821189 /nfs/dbraw/zinc/82/11/89/838821189.db2.gz PPQQIJDMEVQCHX-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)N1C(=O)CCC1=O ZINC001082543939 838821129 /nfs/dbraw/zinc/82/11/29/838821129.db2.gz YXHMVIZKGWHELX-FRRDWIJNSA-N 0 3 350.419 -0.807 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)N1C(=O)CCC1=O ZINC001082543940 838820775 /nfs/dbraw/zinc/82/07/75/838820775.db2.gz YXHMVIZKGWHELX-JHJVBQTASA-N 0 3 350.419 -0.807 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1NCc1cncs1 ZINC001082544537 838822749 /nfs/dbraw/zinc/82/27/49/838822749.db2.gz HQESPRPPQGXCJB-DGCLKSJQSA-N 0 3 363.443 -0.360 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1NCc1ccns1 ZINC001082544576 838822484 /nfs/dbraw/zinc/82/24/84/838822484.db2.gz JKDXJGLUCXDMLI-DGCLKSJQSA-N 0 3 363.443 -0.360 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1NCc1cncn1C ZINC001082545036 838822974 /nfs/dbraw/zinc/82/29/74/838822974.db2.gz BZOVDKJDCQXMSE-TZMCWYRMSA-N 0 3 355.464 -0.608 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1NCc1ccnn1C ZINC001082545217 838823436 /nfs/dbraw/zinc/82/34/36/838823436.db2.gz PHBLRGXYMLDCIG-TZMCWYRMSA-N 0 3 355.464 -0.608 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1NCc1cnn(C)c1 ZINC001082545253 838822055 /nfs/dbraw/zinc/82/20/55/838822055.db2.gz RMVOAOLIOLSJSA-TZMCWYRMSA-N 0 3 355.464 -0.608 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC001082545340 838822089 /nfs/dbraw/zinc/82/20/89/838822089.db2.gz XOSNGAWUCMGGGG-IUODEOHRSA-N 0 3 369.491 -0.299 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C)n[nH]1 ZINC001082545406 838822365 /nfs/dbraw/zinc/82/23/65/838822365.db2.gz BTVHDKUVKNVWNP-ZYHUDNBSSA-N 0 3 356.452 -0.915 20 0 FBADHN Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C)n[nH]1 ZINC001082545478 838822511 /nfs/dbraw/zinc/82/25/11/838822511.db2.gz HREZWEPVIZKWDG-NQBHXWOUSA-N 0 3 370.479 -0.354 20 0 FBADHN Cc1nc([C@H](C)N[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C)n[nH]1 ZINC001082545479 838822887 /nfs/dbraw/zinc/82/28/87/838822887.db2.gz HREZWEPVIZKWDG-NTZNESFSSA-N 0 3 370.479 -0.354 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C)cn1 ZINC001082545729 838824244 /nfs/dbraw/zinc/82/42/44/838824244.db2.gz YKYLFRCCPAVYRS-IUODEOHRSA-N 0 3 367.475 -0.243 20 0 FBADHN C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082549887 838824226 /nfs/dbraw/zinc/82/42/26/838824226.db2.gz HQOXTOKOYSHZKD-ZIAGYGMSSA-N 0 3 357.426 -0.200 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082554805 838824490 /nfs/dbraw/zinc/82/44/90/838824490.db2.gz FRQAOAMPOSBDHL-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082554806 838823835 /nfs/dbraw/zinc/82/38/35/838823835.db2.gz FRQAOAMPOSBDHL-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN Cc1ncc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)o1 ZINC001082555789 838824555 /nfs/dbraw/zinc/82/45/55/838824555.db2.gz KFIKFVAKCXFXPS-IUODEOHRSA-N 0 3 350.419 -0.179 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082556326 838824742 /nfs/dbraw/zinc/82/47/42/838824742.db2.gz LMZRWNDYWFBBCL-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082556327 838824702 /nfs/dbraw/zinc/82/47/02/838824702.db2.gz LMZRWNDYWFBBCL-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082557107 838825556 /nfs/dbraw/zinc/82/55/56/838825556.db2.gz PERLLPZOHLIECU-MCIONIFRSA-N 0 3 357.476 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082557108 838825778 /nfs/dbraw/zinc/82/57/78/838825778.db2.gz PERLLPZOHLIECU-MGPQQGTHSA-N 0 3 357.476 -0.378 20 0 FBADHN Cc1csc(=O)n1CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001082561152 838825575 /nfs/dbraw/zinc/82/55/75/838825575.db2.gz VEAFIROCLWQVQT-KGYLQXTDSA-N 0 3 352.460 -0.067 20 0 FBADHN Cc1csc(=O)n1CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001082561153 838826198 /nfs/dbraw/zinc/82/61/98/838826198.db2.gz VEAFIROCLWQVQT-RAIGVLPGSA-N 0 3 352.460 -0.067 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C)sn1 ZINC001082563237 838825160 /nfs/dbraw/zinc/82/51/60/838825160.db2.gz ORMOGGBMBTZCML-DGCLKSJQSA-N 0 3 368.459 -0.053 20 0 FBADHN Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C)n[nH]1 ZINC001082563534 838825730 /nfs/dbraw/zinc/82/57/30/838825730.db2.gz HOSONVNTMQRZNH-NQBHXWOUSA-N 0 3 350.423 -0.531 20 0 FBADHN Cc1nc([C@H](C)N[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C)n[nH]1 ZINC001082563535 838825422 /nfs/dbraw/zinc/82/54/22/838825422.db2.gz HOSONVNTMQRZNH-NTZNESFSSA-N 0 3 350.423 -0.531 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C)s1 ZINC001082567008 838827523 /nfs/dbraw/zinc/82/75/23/838827523.db2.gz BLSQUODKGLQFFQ-JFUSQASVSA-N 0 3 351.432 -0.014 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C)sn1 ZINC001082567201 838827041 /nfs/dbraw/zinc/82/70/41/838827041.db2.gz ORIBFHRLCIGBFG-DVVUODLYSA-N 0 3 367.431 -0.314 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C)sn1 ZINC001082567922 838826778 /nfs/dbraw/zinc/82/67/78/838826778.db2.gz LTSKQTLAPDLIBC-JFUSQASVSA-N 0 3 351.432 -0.014 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082569724 838827490 /nfs/dbraw/zinc/82/74/90/838827490.db2.gz AKSMTKHSHKYUCL-CTASWTNQSA-N 0 3 355.435 -0.914 20 0 FBADHN C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001082570715 838827614 /nfs/dbraw/zinc/82/76/14/838827614.db2.gz WHCWZBLKQKHPBT-HZSPNIEDSA-N 0 3 350.467 -0.081 20 0 FBADHN C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001082570715 838827605 /nfs/dbraw/zinc/82/76/05/838827605.db2.gz WHCWZBLKQKHPBT-HZSPNIEDSA-N 0 3 350.467 -0.081 20 0 FBADHN C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001082570716 838826727 /nfs/dbraw/zinc/82/67/27/838826727.db2.gz WHCWZBLKQKHPBT-MGPQQGTHSA-N 0 3 350.467 -0.081 20 0 FBADHN C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001082570716 838826713 /nfs/dbraw/zinc/82/67/13/838826713.db2.gz WHCWZBLKQKHPBT-MGPQQGTHSA-N 0 3 350.467 -0.081 20 0 FBADHN CC[C@@]1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)CCNC1=O ZINC001082571344 838826601 /nfs/dbraw/zinc/82/66/01/838826601.db2.gz DGUXYOOXZJQWKQ-HBUWYVDXSA-N 0 3 350.463 -0.038 20 0 FBADHN CC[C@]1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)CCNC1=O ZINC001082571345 838826679 /nfs/dbraw/zinc/82/66/79/838826679.db2.gz DGUXYOOXZJQWKQ-LBTNJELSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082574078 838829274 /nfs/dbraw/zinc/82/92/74/838829274.db2.gz UQPKCPZLHSONJZ-FRRDWIJNSA-N 0 3 354.451 -0.818 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082574079 838829419 /nfs/dbraw/zinc/82/94/19/838829419.db2.gz UQPKCPZLHSONJZ-JHJVBQTASA-N 0 3 354.451 -0.818 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082575825 838827262 /nfs/dbraw/zinc/82/72/62/838827262.db2.gz CBZHJNQNCSPQPF-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082575826 838827808 /nfs/dbraw/zinc/82/78/08/838827808.db2.gz CBZHJNQNCSPQPF-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082577664 838827352 /nfs/dbraw/zinc/82/73/52/838827352.db2.gz FMHZVSPOKJGHRO-DGCLKSJQSA-N 0 3 365.459 -0.920 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082577722 838827304 /nfs/dbraw/zinc/82/73/04/838827304.db2.gz KLOWTBUJQICVBZ-TZMCWYRMSA-N 0 3 352.460 -0.019 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082579151 838828377 /nfs/dbraw/zinc/82/83/77/838828377.db2.gz NVKCRJKQBGCZHK-ZYHUDNBSSA-N 0 3 351.407 -0.667 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082581614 838828631 /nfs/dbraw/zinc/82/86/31/838828631.db2.gz UIVMZMTUAFCGKQ-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082581615 838828700 /nfs/dbraw/zinc/82/87/00/838828700.db2.gz UIVMZMTUAFCGKQ-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082582906 838829106 /nfs/dbraw/zinc/82/91/06/838829106.db2.gz HNYOMGITGGBCGT-DGCLKSJQSA-N 0 3 369.447 -0.732 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082583008 838829191 /nfs/dbraw/zinc/82/91/91/838829191.db2.gz SRYUJFCMMJXAHF-NQBHXWOUSA-N 0 3 354.432 -0.333 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082583009 838828613 /nfs/dbraw/zinc/82/86/13/838828613.db2.gz SRYUJFCMMJXAHF-NTZNESFSSA-N 0 3 354.432 -0.333 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082584059 838830219 /nfs/dbraw/zinc/83/02/19/838830219.db2.gz GNRLPWQBXDMBLT-GRYCIOLGSA-N 0 3 358.389 -0.573 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082584060 838830269 /nfs/dbraw/zinc/83/02/69/838830269.db2.gz GNRLPWQBXDMBLT-IJLUTSLNSA-N 0 3 358.389 -0.573 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082584084 838830253 /nfs/dbraw/zinc/83/02/53/838830253.db2.gz HTCXSFZWIGNOOQ-ZYHUDNBSSA-N 0 3 351.432 -0.848 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082585116 838829768 /nfs/dbraw/zinc/82/97/68/838829768.db2.gz IOBYLMDGOLFLHG-ZWNOBZJWSA-N 0 3 363.443 -0.209 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C1CCC1 ZINC001082587148 838830069 /nfs/dbraw/zinc/83/00/69/838830069.db2.gz VNMJJANHOGFMJR-UMVBOHGHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C1CCC1 ZINC001082587149 838829698 /nfs/dbraw/zinc/82/96/98/838829698.db2.gz VNMJJANHOGFMJR-VNHYZAJKSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082589564 838829217 /nfs/dbraw/zinc/82/92/17/838829217.db2.gz GVMPVQMFPNCOPE-HBUWYVDXSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082589565 838828435 /nfs/dbraw/zinc/82/84/35/838828435.db2.gz GVMPVQMFPNCOPE-LBTNJELSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082590032 838828916 /nfs/dbraw/zinc/82/89/16/838828916.db2.gz ZDQPCUJHWJZQCH-KLHDSHLOSA-N 0 3 352.479 -0.236 20 0 FBADHN CCn1nncc1CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001082590184 838828471 /nfs/dbraw/zinc/82/84/71/838828471.db2.gz HQNLPZKMEMCNGF-RRCSTGOVSA-N 0 3 350.467 -0.046 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1N[C@H]1CCCNC1=O ZINC001082591919 838830231 /nfs/dbraw/zinc/83/02/31/838830231.db2.gz DTVGPDRVVVSEKB-KWCYVHTRSA-N 0 3 369.487 -0.474 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1N[C@@H]1CCCNC1=O ZINC001082591920 838829740 /nfs/dbraw/zinc/82/97/40/838829740.db2.gz DTVGPDRVVVSEKB-MRVWCRGKSA-N 0 3 369.487 -0.474 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]2C)n[nH]1 ZINC001082591979 838830560 /nfs/dbraw/zinc/83/05/60/838830560.db2.gz HEZXTEWUCFITGT-ZWNOBZJWSA-N 0 3 367.475 -0.126 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1NCC(=O)N1CCC1 ZINC001082592156 838830709 /nfs/dbraw/zinc/83/07/09/838830709.db2.gz QBLPCHRUSXFXIP-TZMCWYRMSA-N 0 3 369.487 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082592201 838830289 /nfs/dbraw/zinc/83/02/89/838830289.db2.gz SESFJLVVHYRCFN-KWCYVHTRSA-N 0 3 369.487 -0.522 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082592202 838829789 /nfs/dbraw/zinc/82/97/89/838829789.db2.gz SESFJLVVHYRCFN-MRVWCRGKSA-N 0 3 369.487 -0.522 20 0 FBADHN CC[C@H](N[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C)C(N)=O ZINC001082592286 838830677 /nfs/dbraw/zinc/83/06/77/838830677.db2.gz XRZPERAMFRFBDJ-KGYLQXTDSA-N 0 3 357.476 -0.488 20 0 FBADHN CC[C@@H](N[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C)C(N)=O ZINC001082592287 838830734 /nfs/dbraw/zinc/83/07/34/838830734.db2.gz XRZPERAMFRFBDJ-RAIGVLPGSA-N 0 3 357.476 -0.488 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1N[C@H]1CCNC1=O ZINC001082592311 838830146 /nfs/dbraw/zinc/83/01/46/838830146.db2.gz YPUGMIZTKXINHD-KGYLQXTDSA-N 0 3 355.460 -0.864 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1N[C@@H]1CCNC1=O ZINC001082592312 838830779 /nfs/dbraw/zinc/83/07/79/838830779.db2.gz YPUGMIZTKXINHD-RAIGVLPGSA-N 0 3 355.460 -0.864 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082596567 838832509 /nfs/dbraw/zinc/83/25/09/838832509.db2.gz PSBURKMHIDFRNX-DGCLKSJQSA-N 0 3 369.853 -0.018 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCCC2)C1)S(C)(=O)=O ZINC001082597325 838832067 /nfs/dbraw/zinc/83/20/67/838832067.db2.gz ORYBWHOLGWDLGG-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCCC2)C1)S(C)(=O)=O ZINC001082597326 838832198 /nfs/dbraw/zinc/83/21/98/838832198.db2.gz ORYBWHOLGWDLGG-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082598808 838831828 /nfs/dbraw/zinc/83/18/28/838831828.db2.gz XWFHWTKHIDOIJY-KWCYVHTRSA-N 0 3 357.476 -0.331 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082598809 838831800 /nfs/dbraw/zinc/83/18/00/838831800.db2.gz XWFHWTKHIDOIJY-MRVWCRGKSA-N 0 3 357.476 -0.331 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082599493 838831551 /nfs/dbraw/zinc/83/15/51/838831551.db2.gz URXGASRKALYRIE-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082599494 838831901 /nfs/dbraw/zinc/83/19/01/838831901.db2.gz URXGASRKALYRIE-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1NCc1ccns1 ZINC001082604519 838830813 /nfs/dbraw/zinc/83/08/13/838830813.db2.gz SAEYSKNRUJZTHS-TZMCWYRMSA-N 0 3 351.476 -0.146 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1NCc1cncs1 ZINC001082604620 838830524 /nfs/dbraw/zinc/83/05/24/838830524.db2.gz WBAYBYJMYKDILG-TZMCWYRMSA-N 0 3 351.476 -0.146 20 0 FBADHN C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082604847 838831961 /nfs/dbraw/zinc/83/19/61/838831961.db2.gz HAUVREGSCGEDSA-TZMCWYRMSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1N[C@H]1CCCN(C)C1=O ZINC001082604915 838833497 /nfs/dbraw/zinc/83/34/97/838833497.db2.gz KBRTZLLLNYIRBF-KWCYVHTRSA-N 0 3 357.476 -0.522 20 0 FBADHN C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1N[C@@H]1CCCN(C)C1=O ZINC001082604916 838833419 /nfs/dbraw/zinc/83/34/19/838833419.db2.gz KBRTZLLLNYIRBF-MRVWCRGKSA-N 0 3 357.476 -0.522 20 0 FBADHN C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082604982 838832878 /nfs/dbraw/zinc/83/28/78/838832878.db2.gz MTFPVUCXUHTLMC-UKRRQHHQSA-N 0 3 371.503 -0.130 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C)C1=O ZINC001082605205 838834687 /nfs/dbraw/zinc/83/46/87/838834687.db2.gz YQWQTLIODDKZFE-KWCYVHTRSA-N 0 3 357.476 -0.522 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C)C1=O ZINC001082605206 838835159 /nfs/dbraw/zinc/83/51/59/838835159.db2.gz YQWQTLIODDKZFE-MRVWCRGKSA-N 0 3 357.476 -0.522 20 0 FBADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C)C1=O ZINC001082605603 838835208 /nfs/dbraw/zinc/83/52/08/838835208.db2.gz YSLMADYUNTUOQK-BPLDGKMQSA-N 0 3 371.503 -0.133 20 0 FBADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C)C1=O ZINC001082605604 838834972 /nfs/dbraw/zinc/83/49/72/838834972.db2.gz YSLMADYUNTUOQK-VHDGCEQUSA-N 0 3 371.503 -0.133 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C)s1 ZINC001082605798 838834941 /nfs/dbraw/zinc/83/49/41/838834941.db2.gz MZRQJUGIJGVDKB-ZWNOBZJWSA-N 0 3 350.448 -0.017 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C)sn1 ZINC001082605821 838834446 /nfs/dbraw/zinc/83/44/46/838834446.db2.gz OHYXQNWTNRELBV-ZYHUDNBSSA-N 0 3 366.447 -0.316 20 0 FBADHN Cc1ncsc1CN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001082605992 838834409 /nfs/dbraw/zinc/83/44/09/838834409.db2.gz XTRVZZLTURRMCD-ZYHUDNBSSA-N 0 3 350.448 -0.017 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C)sn1 ZINC001082606173 838836263 /nfs/dbraw/zinc/83/62/63/838836263.db2.gz JSRMCQLKGHKIFM-ZWNOBZJWSA-N 0 3 350.448 -0.017 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082607739 838832980 /nfs/dbraw/zinc/83/29/80/838832980.db2.gz KKIAYCHJWMNNSJ-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082607740 838833586 /nfs/dbraw/zinc/83/35/86/838833586.db2.gz KKIAYCHJWMNNSJ-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082607951 838833106 /nfs/dbraw/zinc/83/31/06/838833106.db2.gz YBUPYYIJLZETTR-CHWSQXEVSA-N 0 3 354.426 -0.336 20 0 FBADHN CCn1nncc1CN[C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1C ZINC001082608411 838833600 /nfs/dbraw/zinc/83/36/00/838833600.db2.gz VVRQYOPJYWCIHD-BMFZPTHFSA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1nncc1CN[C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@H]1C ZINC001082608412 838833255 /nfs/dbraw/zinc/83/32/55/838833255.db2.gz VVRQYOPJYWCIHD-FVQBIDKESA-N 0 3 350.467 -0.045 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082609744 838834100 /nfs/dbraw/zinc/83/41/00/838834100.db2.gz CNDKHJCZUXCWEI-XSCHDIRWSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082611102 838834660 /nfs/dbraw/zinc/83/46/60/838834660.db2.gz QTQYKCUQZHASHU-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082611103 838834218 /nfs/dbraw/zinc/83/42/18/838834218.db2.gz QTQYKCUQZHASHU-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C2)ccc1=O ZINC001082615529 838836413 /nfs/dbraw/zinc/83/64/13/838836413.db2.gz KNIMFNPLJRTPJM-MBNYWOFBSA-N 0 3 350.419 -0.581 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C2)ccc1=O ZINC001082615530 838836058 /nfs/dbraw/zinc/83/60/58/838836058.db2.gz KNIMFNPLJRTPJM-YRGRVCCFSA-N 0 3 350.419 -0.581 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082616116 838835592 /nfs/dbraw/zinc/83/55/92/838835592.db2.gz CMICCXPSJPFLAG-ZIAGYGMSSA-N 0 3 351.451 -0.539 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C)C1=O ZINC001082616373 838836025 /nfs/dbraw/zinc/83/60/25/838836025.db2.gz UOTNPVOTCSEYQN-HZSPNIEDSA-N 0 3 351.451 -0.541 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C)C1=O ZINC001082616374 838836152 /nfs/dbraw/zinc/83/61/52/838836152.db2.gz UOTNPVOTCSEYQN-MGPQQGTHSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082617129 838837076 /nfs/dbraw/zinc/83/70/76/838837076.db2.gz VVUYZPFLLXAUSN-GMTAPVOTSA-N 0 3 361.431 -0.338 20 0 FBADHN C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1N[C@H]1CCNC1=O ZINC001082617130 838836830 /nfs/dbraw/zinc/83/68/30/838836830.db2.gz VVUYZPFLLXAUSN-OUAUKWLOSA-N 0 3 361.431 -0.338 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C)n[nH]1 ZINC001082626372 838840343 /nfs/dbraw/zinc/84/03/43/838840343.db2.gz OXBNQGVFFPQJBS-KGYLQXTDSA-N 0 3 355.464 -0.126 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2C)n[nH]1 ZINC001082626373 838840526 /nfs/dbraw/zinc/84/05/26/838840526.db2.gz OXBNQGVFFPQJBS-RAIGVLPGSA-N 0 3 355.464 -0.126 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082626584 838840087 /nfs/dbraw/zinc/84/00/87/838840087.db2.gz YQHOIYVBVHPQEK-QLFBSQMISA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082626585 838839692 /nfs/dbraw/zinc/83/96/92/838839692.db2.gz YQHOIYVBVHPQEK-RBSFLKMASA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082626606 838839713 /nfs/dbraw/zinc/83/97/13/838839713.db2.gz ZKAMVLXKXBIRDL-HZSPNIEDSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082626607 838840116 /nfs/dbraw/zinc/84/01/16/838840116.db2.gz ZKAMVLXKXBIRDL-MGPQQGTHSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082626704 838840552 /nfs/dbraw/zinc/84/05/52/838840552.db2.gz FSRKCIDESPALAS-HZSPNIEDSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082626705 838839963 /nfs/dbraw/zinc/83/99/63/838839963.db2.gz FSRKCIDESPALAS-MGPQQGTHSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082626761 838838913 /nfs/dbraw/zinc/83/89/13/838838913.db2.gz JGBHRYIIWMIKIO-QLFBSQMISA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082626762 838839178 /nfs/dbraw/zinc/83/91/78/838839178.db2.gz JGBHRYIIWMIKIO-RBSFLKMASA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082626898 838838446 /nfs/dbraw/zinc/83/84/46/838838446.db2.gz QRPSWWVDCXMTQQ-FRRDWIJNSA-N 0 3 350.419 -0.807 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082626899 838839031 /nfs/dbraw/zinc/83/90/31/838839031.db2.gz QRPSWWVDCXMTQQ-JHJVBQTASA-N 0 3 350.419 -0.807 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082626997 838839153 /nfs/dbraw/zinc/83/91/53/838839153.db2.gz VXFQRFKOYSLJCE-CHWSQXEVSA-N 0 3 350.419 -0.806 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1N[C@H]1CCNC1=O ZINC001082627045 838838942 /nfs/dbraw/zinc/83/89/42/838838942.db2.gz XHHMVSFNDADPDJ-ADEWGFFLSA-N 0 3 361.427 -0.305 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1N[C@@H]1CCNC1=O ZINC001082627046 838839129 /nfs/dbraw/zinc/83/91/29/838839129.db2.gz XHHMVSFNDADPDJ-YUSALJHKSA-N 0 3 361.427 -0.305 20 0 FBADHN CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082628377 838839308 /nfs/dbraw/zinc/83/93/08/838839308.db2.gz WFWGLNHGKSNCLR-FVQBIDKESA-N 0 3 350.463 -0.086 20 0 FBADHN CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082628378 838838367 /nfs/dbraw/zinc/83/83/67/838838367.db2.gz WFWGLNHGKSNCLR-VNQPRFMTSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082628451 838838752 /nfs/dbraw/zinc/83/87/52/838838752.db2.gz YYFIKFUVNHFPMX-HZSPNIEDSA-N 0 3 351.451 -0.554 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082628452 838838569 /nfs/dbraw/zinc/83/85/69/838838569.db2.gz YYFIKFUVNHFPMX-MGPQQGTHSA-N 0 3 351.451 -0.554 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082632759 838839669 /nfs/dbraw/zinc/83/96/69/838839669.db2.gz RCSUSXRKOZUTJH-DGCLKSJQSA-N 0 3 369.853 -0.018 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082643808 838841795 /nfs/dbraw/zinc/84/17/95/838841795.db2.gz QMYKHUAPAKDFEU-VXGBXAGGSA-N 0 3 369.853 -0.018 20 0 FBADHN C[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082643876 838842380 /nfs/dbraw/zinc/84/23/80/838842380.db2.gz VMTBNACFYCVDPZ-UKRRQHHQSA-N 0 3 350.419 -0.098 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1NCc1ccnn1C ZINC001082646682 838841634 /nfs/dbraw/zinc/84/16/34/838841634.db2.gz MBIZBOUXDZZJPS-UKRRQHHQSA-N 0 3 369.491 -0.218 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1NCc1cncn1C ZINC001082646738 838841416 /nfs/dbraw/zinc/84/14/16/838841416.db2.gz OYAZPKNCDLLLSY-UKRRQHHQSA-N 0 3 369.491 -0.218 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@H]2C)n[nH]1 ZINC001082646742 838841978 /nfs/dbraw/zinc/84/19/78/838841978.db2.gz PDMFZSVKDGWBNN-DGCLKSJQSA-N 0 3 370.479 -0.525 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1NCc1cnn(C)c1 ZINC001082646873 838841738 /nfs/dbraw/zinc/84/17/38/838841738.db2.gz ZUJSNJUMQMGNPO-UKRRQHHQSA-N 0 3 369.491 -0.218 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082650034 838841952 /nfs/dbraw/zinc/84/19/52/838841952.db2.gz JVNFATIJINLQIN-ZWNOBZJWSA-N 0 3 351.382 -0.838 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCC(=O)N1CCC1 ZINC001082658519 838843174 /nfs/dbraw/zinc/84/31/74/838843174.db2.gz IMLBGWRJSFZBIQ-RUCLQGLUSA-N 0 3 351.447 -0.293 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082659494 838841923 /nfs/dbraw/zinc/84/19/23/838841923.db2.gz OICZAWSQMGCXGZ-HBUWYVDXSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082659495 838842153 /nfs/dbraw/zinc/84/21/53/838842153.db2.gz OICZAWSQMGCXGZ-LBTNJELSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082665349 838842877 /nfs/dbraw/zinc/84/28/77/838842877.db2.gz ILPIURVELWOOSP-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082665350 838843483 /nfs/dbraw/zinc/84/34/83/838843483.db2.gz ILPIURVELWOOSP-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082666818 838843419 /nfs/dbraw/zinc/84/34/19/838843419.db2.gz ORWRADWFSBBTGE-HZSPNIEDSA-N 0 3 357.476 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082666819 838842723 /nfs/dbraw/zinc/84/27/23/838842723.db2.gz ORWRADWFSBBTGE-MGPQQGTHSA-N 0 3 357.476 -0.378 20 0 FBADHN COc1nc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)co1 ZINC001082667397 838843116 /nfs/dbraw/zinc/84/31/16/838843116.db2.gz WPKTYQBZTUMMDA-VXGBXAGGSA-N 0 3 352.391 -0.408 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082669844 838844570 /nfs/dbraw/zinc/84/45/70/838844570.db2.gz YTLZAZWIXMARSU-GRYCIOLGSA-N 0 3 353.448 -0.165 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082669845 838844324 /nfs/dbraw/zinc/84/43/24/838844324.db2.gz YTLZAZWIXMARSU-IJLUTSLNSA-N 0 3 353.448 -0.165 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082669942 838844964 /nfs/dbraw/zinc/84/49/64/838844964.db2.gz DSIAUNXSCDAXKR-MWLCHTKSSA-N 0 3 364.431 -0.814 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082671136 838844627 /nfs/dbraw/zinc/84/46/27/838844627.db2.gz SYLQBPHITDEVMZ-ZIAGYGMSSA-N 0 3 350.463 -0.038 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001082672276 838843393 /nfs/dbraw/zinc/84/33/93/838843393.db2.gz IEARYIAVEOAHAE-HLUHBDAQSA-N 0 3 351.407 -0.561 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001082672277 838842685 /nfs/dbraw/zinc/84/26/85/838842685.db2.gz IEARYIAVEOAHAE-UBHAPETDSA-N 0 3 351.407 -0.561 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)s1 ZINC001082682592 838847152 /nfs/dbraw/zinc/84/71/52/838847152.db2.gz YPHNUHYLPBQZTP-BXUZGUMPSA-N 0 3 351.476 -0.180 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)sn1 ZINC001082682604 838847916 /nfs/dbraw/zinc/84/79/16/838847916.db2.gz ZETIPIKOVPGEKD-BXUZGUMPSA-N 0 3 351.476 -0.180 20 0 FBADHN Cc1ncsc1CN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001082682949 838846911 /nfs/dbraw/zinc/84/69/11/838846911.db2.gz MXXCZJPECVAQIF-DGCLKSJQSA-N 0 3 351.476 -0.180 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082682952 838847094 /nfs/dbraw/zinc/84/70/94/838847094.db2.gz MZUFQVKEIQCMTJ-QLFBSQMISA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082682953 838847241 /nfs/dbraw/zinc/84/72/41/838847241.db2.gz MZUFQVKEIQCMTJ-RBSFLKMASA-N 0 3 350.463 -0.183 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)sn1 ZINC001082683051 838847895 /nfs/dbraw/zinc/84/78/95/838847895.db2.gz RLEMQBGJRPZFAR-DGCLKSJQSA-N 0 3 367.475 -0.480 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082683794 838847967 /nfs/dbraw/zinc/84/79/67/838847967.db2.gz XOGFXFQFWSDFLQ-QLFBSQMISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082683795 838847613 /nfs/dbraw/zinc/84/76/13/838847613.db2.gz XOGFXFQFWSDFLQ-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082684573 838844115 /nfs/dbraw/zinc/84/41/15/838844115.db2.gz GKBJPEGZUMWWST-MCIONIFRSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082684574 838844159 /nfs/dbraw/zinc/84/41/59/838844159.db2.gz GKBJPEGZUMWWST-MGPQQGTHSA-N 0 3 351.451 -0.541 20 0 FBADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082685183 838846442 /nfs/dbraw/zinc/84/64/42/838846442.db2.gz DIBCBCYARMOFIY-VXGBXAGGSA-N 0 3 351.407 -0.965 20 0 FBADHN CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001082685197 838845940 /nfs/dbraw/zinc/84/59/40/838845940.db2.gz FACQXHPXCOSYHM-BPLDGKMQSA-N 0 3 356.442 -0.138 20 0 FBADHN CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001082685198 838846411 /nfs/dbraw/zinc/84/64/11/838846411.db2.gz FACQXHPXCOSYHM-VHDGCEQUSA-N 0 3 356.442 -0.138 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C)CC1 ZINC001082686219 838846297 /nfs/dbraw/zinc/84/62/97/838846297.db2.gz GPSDUHMEKRHBSY-RRCSTGOVSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082686251 838846190 /nfs/dbraw/zinc/84/61/90/838846190.db2.gz IEHQBSFEGIANMY-QHSBEEBCSA-N 0 3 350.463 -0.197 20 0 FBADHN CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082687247 838845926 /nfs/dbraw/zinc/84/59/26/838845926.db2.gz FLQULGWUKMWUJG-KWCYVHTRSA-N 0 3 356.442 -0.105 20 0 FBADHN CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082687248 838845463 /nfs/dbraw/zinc/84/54/63/838845463.db2.gz FLQULGWUKMWUJG-MRVWCRGKSA-N 0 3 356.442 -0.105 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C(F)(F)F ZINC001082689602 838846230 /nfs/dbraw/zinc/84/62/30/838846230.db2.gz UFZSKDWSZKXVDY-GMTAPVOTSA-N 0 3 364.368 -0.420 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C(F)(F)F ZINC001082689603 838845805 /nfs/dbraw/zinc/84/58/05/838845805.db2.gz UFZSKDWSZKXVDY-OUAUKWLOSA-N 0 3 364.368 -0.420 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C)CC1 ZINC001082690199 838845764 /nfs/dbraw/zinc/84/57/64/838845764.db2.gz GPSDUHMEKRHBSY-LQKXBSAESA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082690229 838846393 /nfs/dbraw/zinc/84/63/93/838846393.db2.gz IEHQBSFEGIANMY-MYZSUADSSA-N 0 3 350.463 -0.197 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082692734 838849449 /nfs/dbraw/zinc/84/94/49/838849449.db2.gz MTFMHABBFQEXIC-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082692735 838848824 /nfs/dbraw/zinc/84/88/24/838848824.db2.gz MTFMHABBFQEXIC-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN CCC1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCNC(=O)C3)C2)CCC1 ZINC001082693833 838849766 /nfs/dbraw/zinc/84/97/66/838849766.db2.gz YZSCPGFKOVXPKI-ZIAGYGMSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082694935 838849110 /nfs/dbraw/zinc/84/91/10/838849110.db2.gz QGYQYDHSIQJNKY-BMNMPBFRSA-N 0 3 351.447 -0.437 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082694936 838848989 /nfs/dbraw/zinc/84/89/89/838848989.db2.gz QGYQYDHSIQJNKY-QKEJGYSESA-N 0 3 351.447 -0.437 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082695538 838848674 /nfs/dbraw/zinc/84/86/74/838848674.db2.gz WMZZNCOPXGFUIM-HZSPNIEDSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082695539 838848691 /nfs/dbraw/zinc/84/86/91/838848691.db2.gz WMZZNCOPXGFUIM-MGPQQGTHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082695911 838849830 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/nfs/dbraw/zinc/85/53/75/838855375.db2.gz DJZIVQMGRUMOMX-APIJFGDWSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082743854 838855847 /nfs/dbraw/zinc/85/58/47/838855847.db2.gz GCIJUQFBXZCKFK-APIJFGDWSA-N 0 3 350.463 -0.197 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082744357 838855489 /nfs/dbraw/zinc/85/54/89/838855489.db2.gz GRQFKJXTDNUUPY-APIJFGDWSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCC(=O)N1CCCC1 ZINC001082745071 838855420 /nfs/dbraw/zinc/85/54/20/838855420.db2.gz ZKTLNLGOAAJFIX-APIJFGDWSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C(C)(F)F ZINC001082747830 838849508 /nfs/dbraw/zinc/84/95/08/838849508.db2.gz KNMBJAAJFIXLBZ-GRYCIOLGSA-N 0 3 360.405 -0.327 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C(C)(F)F ZINC001082747831 838849050 /nfs/dbraw/zinc/84/90/50/838849050.db2.gz KNMBJAAJFIXLBZ-IJLUTSLNSA-N 0 3 360.405 -0.327 20 0 FBADHN C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082751522 838856983 /nfs/dbraw/zinc/85/69/83/838856983.db2.gz IYQPQGJJSPTHIN-CHWSQXEVSA-N 0 3 354.426 -0.479 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082754983 838856441 /nfs/dbraw/zinc/85/64/41/838856441.db2.gz HUFYEHLNBCTCDO-QCODTGAPSA-N 0 3 351.447 -0.151 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C)s1 ZINC001082768338 838856954 /nfs/dbraw/zinc/85/69/54/838856954.db2.gz MKTWDEKHRLYPCA-JFUSQASVSA-N 0 3 351.432 -0.014 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C)sn1 ZINC001082768829 838857510 /nfs/dbraw/zinc/85/75/10/838857510.db2.gz FZUJVXQKFWIXOM-JFUSQASVSA-N 0 3 351.432 -0.014 20 0 FBADHN Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001082768983 838856366 /nfs/dbraw/zinc/85/63/66/838856366.db2.gz KMMJKINFPMSCLC-DVVUODLYSA-N 0 3 351.432 -0.014 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C)sn1 ZINC001082769294 838857218 /nfs/dbraw/zinc/85/72/18/838857218.db2.gz WLBUWDXEUBETQR-DVVUODLYSA-N 0 3 367.431 -0.314 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082770180 838856655 /nfs/dbraw/zinc/85/66/55/838856655.db2.gz GIRZTWUFNBILGZ-TZMCWYRMSA-N 0 3 369.853 -0.168 20 0 FBADHN CCCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)CC1=O ZINC001082772137 838857068 /nfs/dbraw/zinc/85/70/68/838857068.db2.gz AYIRKFWTMJOYME-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN CCCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)CC1=O ZINC001082772138 838857816 /nfs/dbraw/zinc/85/78/16/838857816.db2.gz AYIRKFWTMJOYME-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1NCC(=O)N1CCC1 ZINC001082776530 838858848 /nfs/dbraw/zinc/85/88/48/838858848.db2.gz GSXJAIOCRBOHAS-VXGBXAGGSA-N 0 3 369.443 -0.035 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082776545 838859328 /nfs/dbraw/zinc/85/93/28/838859328.db2.gz HJQFXKHOVYPVGS-GMTAPVOTSA-N 0 3 355.416 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1N[C@H]1CCNC1=O ZINC001082776546 838858938 /nfs/dbraw/zinc/85/89/38/838858938.db2.gz HJQFXKHOVYPVGS-OUAUKWLOSA-N 0 3 355.416 -0.378 20 0 FBADHN CC[C@@H](N[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C)C(N)=O ZINC001082776568 838858364 /nfs/dbraw/zinc/85/83/64/838858364.db2.gz ITXZOMZBQGLPEQ-GMTAPVOTSA-N 0 3 357.432 -0.003 20 0 FBADHN CC[C@H](N[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C)C(N)=O ZINC001082776569 838858922 /nfs/dbraw/zinc/85/89/22/838858922.db2.gz ITXZOMZBQGLPEQ-OUAUKWLOSA-N 0 3 357.432 -0.003 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCC2)C[C@H]1C)C(N)=O ZINC001082776760 838858486 /nfs/dbraw/zinc/85/84/86/838858486.db2.gz UHKAJEQBWCUHNE-QLFBSQMISA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCC2)C[C@H]1C)C(N)=O ZINC001082776761 838858691 /nfs/dbraw/zinc/85/86/91/838858691.db2.gz UHKAJEQBWCUHNE-RBSFLKMASA-N 0 3 352.479 -0.058 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082776825 838858004 /nfs/dbraw/zinc/85/80/04/838858004.db2.gz XYVWRKPQCVKAFE-GRYCIOLGSA-N 0 3 369.443 -0.036 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082776826 838858798 /nfs/dbraw/zinc/85/87/98/838858798.db2.gz XYVWRKPQCVKAFE-IJLUTSLNSA-N 0 3 369.443 -0.036 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082777754 838859062 /nfs/dbraw/zinc/85/90/62/838859062.db2.gz AWMPGCDRAJJCGK-HZSPNIEDSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082777755 838858585 /nfs/dbraw/zinc/85/85/85/838858585.db2.gz AWMPGCDRAJJCGK-MGPQQGTHSA-N 0 3 357.476 -0.520 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@H]2C)n[nH]1 ZINC001082777808 838858194 /nfs/dbraw/zinc/85/81/94/838858194.db2.gz FEFMWPOQXNLUMM-KGYLQXTDSA-N 0 3 355.464 -0.126 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C)n[nH]1 ZINC001082777809 838858632 /nfs/dbraw/zinc/85/86/32/838858632.db2.gz FEFMWPOQXNLUMM-RAIGVLPGSA-N 0 3 355.464 -0.126 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082778034 838858306 /nfs/dbraw/zinc/85/83/06/838858306.db2.gz PIKIATLIFMJYRA-QLFBSQMISA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082778035 838858559 /nfs/dbraw/zinc/85/85/59/838858559.db2.gz PIKIATLIFMJYRA-RBSFLKMASA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082778278 838858208 /nfs/dbraw/zinc/85/82/08/838858208.db2.gz BYJOINXHBDVRBZ-UKRRQHHQSA-N 0 3 371.503 -0.130 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C)n[nH]1 ZINC001082778286 838858728 /nfs/dbraw/zinc/85/87/28/838858728.db2.gz CGYFAGCIDIXHAI-ZWNOBZJWSA-N 0 3 355.464 -0.126 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C)C1=O ZINC001082778339 838858656 /nfs/dbraw/zinc/85/86/56/838858656.db2.gz GJJPPNPLIQGZMP-BPLDGKMQSA-N 0 3 371.503 -0.132 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C)C1=O ZINC001082778340 838858412 /nfs/dbraw/zinc/85/84/12/838858412.db2.gz GJJPPNPLIQGZMP-VHDGCEQUSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082778359 838858066 /nfs/dbraw/zinc/85/80/66/838858066.db2.gz HNFSJVQBQKQOEN-KWCYVHTRSA-N 0 3 357.476 -0.522 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082778360 838858042 /nfs/dbraw/zinc/85/80/42/838858042.db2.gz HNFSJVQBQKQOEN-MRVWCRGKSA-N 0 3 357.476 -0.522 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001082778444 838858337 /nfs/dbraw/zinc/85/83/37/838858337.db2.gz MXBBMNXTJNFKSE-KGYLQXTDSA-N 0 3 371.459 -0.947 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001082778445 838859144 /nfs/dbraw/zinc/85/91/44/838859144.db2.gz MXBBMNXTJNFKSE-RAIGVLPGSA-N 0 3 371.459 -0.947 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@H]1CCCNC1=O ZINC001082778594 838859114 /nfs/dbraw/zinc/85/91/14/838859114.db2.gz SPYZFLXJNSHRHB-KWCYVHTRSA-N 0 3 357.476 -0.474 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@@H]1CCCNC1=O ZINC001082778595 838858820 /nfs/dbraw/zinc/85/88/20/838858820.db2.gz SPYZFLXJNSHRHB-MRVWCRGKSA-N 0 3 357.476 -0.474 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082778643 838858437 /nfs/dbraw/zinc/85/84/37/838858437.db2.gz VQYXTQYEIUDWMX-TZMCWYRMSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@@H]1CCCN(C)C1=O ZINC001082778705 838860608 /nfs/dbraw/zinc/86/06/08/838860608.db2.gz ZLPMYTNFFAGUDM-BPLDGKMQSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1N[C@H]1CCCN(C)C1=O ZINC001082778706 838859922 /nfs/dbraw/zinc/85/99/22/838859922.db2.gz ZLPMYTNFFAGUDM-VHDGCEQUSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082779037 838860033 /nfs/dbraw/zinc/86/00/33/838860033.db2.gz KJFCYWTVNLKPMS-CHWSQXEVSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1N[C@H]1CCCN(C)C1=O ZINC001082779111 838860458 /nfs/dbraw/zinc/86/04/58/838860458.db2.gz NUZNOHIOPNBFTG-FRRDWIJNSA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1N[C@@H]1CCCN(C)C1=O ZINC001082779112 838860329 /nfs/dbraw/zinc/86/03/29/838860329.db2.gz NUZNOHIOPNBFTG-JHJVBQTASA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001082779269 838859699 /nfs/dbraw/zinc/85/96/99/838859699.db2.gz WPHZARIKSCJXKM-GMTAPVOTSA-N 0 3 359.448 -0.949 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001082779270 838860646 /nfs/dbraw/zinc/86/06/46/838860646.db2.gz WPHZARIKSCJXKM-OUAUKWLOSA-N 0 3 359.448 -0.949 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1NCc1ccns1 ZINC001082779644 838859811 /nfs/dbraw/zinc/85/98/11/838859811.db2.gz LVTUZJJMQLYGFU-ZWNOBZJWSA-N 0 3 363.443 -0.209 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1NCc1cncs1 ZINC001082779879 838860509 /nfs/dbraw/zinc/86/05/09/838860509.db2.gz UGTVGZQTCWEZPN-ZWNOBZJWSA-N 0 3 363.443 -0.209 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]2C)C1=O ZINC001082780063 838860116 /nfs/dbraw/zinc/86/01/16/838860116.db2.gz WKGAGJKDIOKTIU-FRRDWIJNSA-N 0 3 359.492 -0.133 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]2C)C1=O ZINC001082780064 838860916 /nfs/dbraw/zinc/86/09/16/838860916.db2.gz WKGAGJKDIOKTIU-JHJVBQTASA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1NCc1ccns1 ZINC001082780440 838860055 /nfs/dbraw/zinc/86/00/55/838860055.db2.gz RWCLJMCTNHAZCY-MWLCHTKSSA-N 0 3 365.415 -0.500 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1NCc1cncs1 ZINC001082780462 838860537 /nfs/dbraw/zinc/86/05/37/838860537.db2.gz TUANMEWNHMNRPQ-MWLCHTKSSA-N 0 3 365.415 -0.500 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082786628 838860894 /nfs/dbraw/zinc/86/08/94/838860894.db2.gz YIRONFVDQKMNRB-TZMCWYRMSA-N 0 3 352.460 -0.019 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082787068 838860558 /nfs/dbraw/zinc/86/05/58/838860558.db2.gz VIXPLVOYVURPQD-DGCLKSJQSA-N 0 3 365.459 -0.920 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082787490 838860245 /nfs/dbraw/zinc/86/02/45/838860245.db2.gz QAWUHNYLASJCIH-HUUCEWRRSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1N[C@H]1CCCNC1=O ZINC001082787522 838860482 /nfs/dbraw/zinc/86/04/82/838860482.db2.gz SLMRXZMLRUGZEP-QLFBSQMISA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1N[C@@H]1CCCNC1=O ZINC001082787523 838859869 /nfs/dbraw/zinc/85/98/69/838859869.db2.gz SLMRXZMLRUGZEP-RBSFLKMASA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082787642 838860704 /nfs/dbraw/zinc/86/07/04/838860704.db2.gz AARMMEHOTCIGDU-QLFBSQMISA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082787643 838860304 /nfs/dbraw/zinc/86/03/04/838860304.db2.gz AARMMEHOTCIGDU-RBSFLKMASA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082788064 838860355 /nfs/dbraw/zinc/86/03/55/838860355.db2.gz XETOFWGPUUHEDN-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082788065 838860088 /nfs/dbraw/zinc/86/00/88/838860088.db2.gz XETOFWGPUUHEDN-RRFJBIMHSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@H]1N[C@H]1CCNC1=O ZINC001082791916 838860796 /nfs/dbraw/zinc/86/07/96/838860796.db2.gz ISEUTAIOQFKEDA-HRDYMLBCSA-N 0 3 360.340 -0.228 20 0 FBADHN C[C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@H]1N[C@@H]1CCNC1=O ZINC001082791917 838860275 /nfs/dbraw/zinc/86/02/75/838860275.db2.gz ISEUTAIOQFKEDA-IWSPIJDZSA-N 0 3 360.340 -0.228 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1cnn(C)c1 ZINC001082798281 838862418 /nfs/dbraw/zinc/86/24/18/838862418.db2.gz LIAYUIBQOPJXKH-BNOWGMLFSA-N 0 3 355.464 -0.610 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1cnn(C)c1 ZINC001082798282 838861419 /nfs/dbraw/zinc/86/14/19/838861419.db2.gz LIAYUIBQOPJXKH-MRVWCRGKSA-N 0 3 355.464 -0.610 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1ccnn1C ZINC001082798296 838861602 /nfs/dbraw/zinc/86/16/02/838861602.db2.gz LTOOSPMIFISIPK-BNOWGMLFSA-N 0 3 355.464 -0.610 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1ccnn1C ZINC001082798297 838861647 /nfs/dbraw/zinc/86/16/47/838861647.db2.gz LTOOSPMIFISIPK-MRVWCRGKSA-N 0 3 355.464 -0.610 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1cncn1C ZINC001082798408 838862011 /nfs/dbraw/zinc/86/20/11/838862011.db2.gz RXNMQJBXNFBKCI-BNOWGMLFSA-N 0 3 355.464 -0.610 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1cncn1C ZINC001082798409 838862082 /nfs/dbraw/zinc/86/20/82/838862082.db2.gz RXNMQJBXNFBKCI-MRVWCRGKSA-N 0 3 355.464 -0.610 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@H]2C)cn1 ZINC001082798555 838862333 /nfs/dbraw/zinc/86/23/33/838862333.db2.gz AIMUUOLBSWAKCP-DFBGVHRSSA-N 0 3 367.475 -0.245 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@H]2C)cn1 ZINC001082798556 838862277 /nfs/dbraw/zinc/86/22/77/838862277.db2.gz AIMUUOLBSWAKCP-KCPJHIHWSA-N 0 3 367.475 -0.245 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001082798807 838863007 /nfs/dbraw/zinc/86/30/07/838863007.db2.gz MBNFIRWEYPUVLH-DFBGVHRSSA-N 0 3 369.491 -0.301 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C ZINC001082798808 838862898 /nfs/dbraw/zinc/86/28/98/838862898.db2.gz MBNFIRWEYPUVLH-KCPJHIHWSA-N 0 3 369.491 -0.301 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@H]2C)n[nH]1 ZINC001082798925 838862725 /nfs/dbraw/zinc/86/27/25/838862725.db2.gz SFYRVHSYJJQSRI-JLLWLGSASA-N 0 3 356.452 -0.916 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@H]2C)n[nH]1 ZINC001082798926 838863872 /nfs/dbraw/zinc/86/38/72/838863872.db2.gz SFYRVHSYJJQSRI-YUSALJHKSA-N 0 3 356.452 -0.916 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082800723 838864457 /nfs/dbraw/zinc/86/44/57/838864457.db2.gz XXAVUGYCRHGNBC-IOASZLSFSA-N 0 3 357.476 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082800724 838864521 /nfs/dbraw/zinc/86/45/21/838864521.db2.gz XXAVUGYCRHGNBC-XJKCOSOUSA-N 0 3 357.476 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082803703 838864410 /nfs/dbraw/zinc/86/44/10/838864410.db2.gz WUVBBRVKIRBKST-DGCLKSJQSA-N 0 3 350.419 -0.902 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082804051 838864353 /nfs/dbraw/zinc/86/43/53/838864353.db2.gz IWAQKULAPHKQAP-FRRDWIJNSA-N 0 3 357.476 -0.331 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082804052 838864885 /nfs/dbraw/zinc/86/48/85/838864885.db2.gz IWAQKULAPHKQAP-JHJVBQTASA-N 0 3 357.476 -0.331 20 0 FBADHN C[C@@H]1CN(C(=O)c2csc(-c3nc[nH]n3)n2)C[C@H]1N[C@H]1CCNC1=O ZINC001082804143 838865257 /nfs/dbraw/zinc/86/52/57/838865257.db2.gz PMSNKRLTJQMXDL-KXUCPTDWSA-N 0 3 361.431 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)c2csc(-c3nc[nH]n3)n2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082804144 838864914 /nfs/dbraw/zinc/86/49/14/838864914.db2.gz PMSNKRLTJQMXDL-OPRDCNLKSA-N 0 3 361.431 -0.133 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C)C1=O ZINC001082805040 838864957 /nfs/dbraw/zinc/86/49/57/838864957.db2.gz UXFLNENTYZLFHG-KGYLQXTDSA-N 0 3 350.419 -0.904 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C)C1=O ZINC001082805041 838864184 /nfs/dbraw/zinc/86/41/84/838864184.db2.gz UXFLNENTYZLFHG-RAIGVLPGSA-N 0 3 350.419 -0.904 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082805508 838861784 /nfs/dbraw/zinc/86/17/84/838861784.db2.gz FKZQDRDSOLRSJR-MBNYWOFBSA-N 0 3 350.423 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082805509 838861336 /nfs/dbraw/zinc/86/13/36/838861336.db2.gz FKZQDRDSOLRSJR-YRGRVCCFSA-N 0 3 350.423 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082807425 838868006 /nfs/dbraw/zinc/86/80/06/838868006.db2.gz HWLVGHIJVRINFP-HZPDHXFCSA-N 0 3 352.479 -0.232 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1NCc1cnnn1C ZINC001082807765 838867777 /nfs/dbraw/zinc/86/77/77/838867777.db2.gz BVZVLHVDMDEFMG-UKRRQHHQSA-N 0 3 350.467 -0.138 20 0 FBADHN CCn1nncc1CN[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001082807768 838867287 /nfs/dbraw/zinc/86/72/87/838867287.db2.gz BYHZIJMGIFEVIX-GDBMZVCRSA-N 0 3 350.467 -0.043 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082808022 838867345 /nfs/dbraw/zinc/86/73/45/838867345.db2.gz QAZLPFJDYZXXAL-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082808714 838866887 /nfs/dbraw/zinc/86/68/87/838866887.db2.gz ZNDJWNHHPHXANS-QLFBSQMISA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082808715 838867240 /nfs/dbraw/zinc/86/72/40/838867240.db2.gz ZNDJWNHHPHXANS-RBSFLKMASA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1NCc1cnns1 ZINC001082810290 838865694 /nfs/dbraw/zinc/86/56/94/838865694.db2.gz BDSGHYBVISMOIH-ZYHUDNBSSA-N 0 3 364.431 -0.585 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C)sn1 ZINC001082812156 838866381 /nfs/dbraw/zinc/86/63/81/838866381.db2.gz DEQDTCHDVVGIMX-MWLCHTKSSA-N 0 3 367.431 -0.360 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C)sn1 ZINC001082812262 838867926 /nfs/dbraw/zinc/86/79/26/838867926.db2.gz LMGNAIMWYJCICG-BXKDBHETSA-N 0 3 351.432 -0.060 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C)s1 ZINC001082812400 838867101 /nfs/dbraw/zinc/86/71/01/838867101.db2.gz UVTJLLSFHPIYPV-BXKDBHETSA-N 0 3 351.432 -0.060 20 0 FBADHN C[C@@H]1CN(C(=O)c2n[nH]cc2Br)C[C@H]1NCc1nnnn1C ZINC001082812889 838867470 /nfs/dbraw/zinc/86/74/70/838867470.db2.gz YBRCHQDWWMAQLI-VXNVDRBHSA-N 0 3 369.227 -0.054 20 0 FBADHN C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082819939 838868718 /nfs/dbraw/zinc/86/87/18/838868718.db2.gz MBNBSUKIPLYIAV-GHMZBOCLSA-N 0 3 351.432 -0.848 20 0 FBADHN C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082820414 838868767 /nfs/dbraw/zinc/86/87/67/838868767.db2.gz RPMLKNZWQJLSLD-ZYHUDNBSSA-N 0 3 363.443 -0.209 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)nn1 ZINC001082829413 838869761 /nfs/dbraw/zinc/86/97/61/838869761.db2.gz UBEKFQBXPBUQMV-CHWSQXEVSA-N 0 3 350.423 -0.793 20 0 FBADHN C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082831804 838869915 /nfs/dbraw/zinc/86/99/15/838869915.db2.gz PAXZFZCXPDZAQW-QLFBSQMISA-N 0 3 350.463 -0.434 20 0 FBADHN C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082831805 838870116 /nfs/dbraw/zinc/87/01/16/838870116.db2.gz PAXZFZCXPDZAQW-RBSFLKMASA-N 0 3 350.463 -0.434 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082832566 838870767 /nfs/dbraw/zinc/87/07/67/838870767.db2.gz HOHBIQUPELRMAE-FRRDWIJNSA-N 0 3 357.476 -0.379 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082832567 838870082 /nfs/dbraw/zinc/87/00/82/838870082.db2.gz HOHBIQUPELRMAE-JHJVBQTASA-N 0 3 357.476 -0.379 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082832569 838870679 /nfs/dbraw/zinc/87/06/79/838870679.db2.gz HPGYDDIBFMFODD-CHWSQXEVSA-N 0 3 357.476 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001082832666 838870196 /nfs/dbraw/zinc/87/01/96/838870196.db2.gz OLOGRLDHABSJEE-GRYCIOLGSA-N 0 3 371.459 -0.805 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001082832667 838870275 /nfs/dbraw/zinc/87/02/75/838870275.db2.gz OLOGRLDHABSJEE-IJLUTSLNSA-N 0 3 371.459 -0.805 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1N[C@H]1CCCNC1=O ZINC001082832706 838870287 /nfs/dbraw/zinc/87/02/87/838870287.db2.gz REZKFLHSQPOWBY-FRRDWIJNSA-N 0 3 357.476 -0.331 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1N[C@@H]1CCCNC1=O ZINC001082832707 838870013 /nfs/dbraw/zinc/87/00/13/838870013.db2.gz REZKFLHSQPOWBY-JHJVBQTASA-N 0 3 357.476 -0.331 20 0 FBADHN Cc1nonc1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082834234 838870411 /nfs/dbraw/zinc/87/04/11/838870411.db2.gz BOWGHBPYHIVNGV-BXUZGUMPSA-N 0 3 351.407 -0.784 20 0 FBADHN CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082846004 838872004 /nfs/dbraw/zinc/87/20/04/838872004.db2.gz WOUGAYLCMWCJTH-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN CCC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082846005 838871126 /nfs/dbraw/zinc/87/11/26/838871126.db2.gz WOUGAYLCMWCJTH-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082846414 838872039 /nfs/dbraw/zinc/87/20/39/838872039.db2.gz UFMONJKSKYBYDP-QLFBSQMISA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082846415 838871297 /nfs/dbraw/zinc/87/12/97/838871297.db2.gz UFMONJKSKYBYDP-RBSFLKMASA-N 0 3 371.503 -0.130 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C)C(N)=O ZINC001082846860 838871321 /nfs/dbraw/zinc/87/13/21/838871321.db2.gz MLNLZXGOOMOAGU-NQBHXWOUSA-N 0 3 350.423 -0.447 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C)C(N)=O ZINC001082846861 838872083 /nfs/dbraw/zinc/87/20/83/838872083.db2.gz MLNLZXGOOMOAGU-NTZNESFSSA-N 0 3 350.423 -0.447 20 0 FBADHN CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082847099 838871617 /nfs/dbraw/zinc/87/16/17/838871617.db2.gz URWZHQZHQABDBX-DDUZABMNSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082847100 838872171 /nfs/dbraw/zinc/87/21/71/838872171.db2.gz URWZHQZHQABDBX-SIIHOXLZSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001082850000 838873319 /nfs/dbraw/zinc/87/33/19/838873319.db2.gz XDNFYYICTJUMCW-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082850001 838872951 /nfs/dbraw/zinc/87/29/51/838872951.db2.gz XDNFYYICTJUMCW-RRFJBIMHSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2nnc[n-]2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082850900 838873356 /nfs/dbraw/zinc/87/33/56/838873356.db2.gz ANBPWGIKYMGPIX-ZYHUDNBSSA-N 0 3 367.431 -0.020 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082852091 838872561 /nfs/dbraw/zinc/87/25/61/838872561.db2.gz SLAHVDUZSYGLMH-MCIONIFRSA-N 0 3 351.451 -0.412 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082852092 838872431 /nfs/dbraw/zinc/87/24/31/838872431.db2.gz SLAHVDUZSYGLMH-MGPQQGTHSA-N 0 3 351.451 -0.412 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082854654 838872693 /nfs/dbraw/zinc/87/26/93/838872693.db2.gz VWBJDPOVOVXEKX-DGCLKSJQSA-N 0 3 369.853 -0.018 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082857115 838873021 /nfs/dbraw/zinc/87/30/21/838873021.db2.gz SJYMJXINVOEYPA-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1NCC(=O)N1CCC1 ZINC001082857116 838873138 /nfs/dbraw/zinc/87/31/38/838873138.db2.gz SJYMJXINVOEYPA-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1NCc1cncs1 ZINC001082857607 838874270 /nfs/dbraw/zinc/87/42/70/838874270.db2.gz SGAFSCVMECLZHT-ZYHUDNBSSA-N 0 3 351.432 -0.026 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1NCc1ccns1 ZINC001082857710 838874677 /nfs/dbraw/zinc/87/46/77/838874677.db2.gz ZMERHMPNGIPXMU-ZYHUDNBSSA-N 0 3 351.432 -0.026 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082859510 838871478 /nfs/dbraw/zinc/87/14/78/838871478.db2.gz QBOLTHAATFMJOH-LDYMZIIASA-N 0 3 360.403 -0.481 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082872363 838874800 /nfs/dbraw/zinc/87/48/00/838874800.db2.gz DZZVDSNZQYHSOZ-QLFBSQMISA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082876207 838874941 /nfs/dbraw/zinc/87/49/41/838874941.db2.gz LRDAAFHEDZKRIV-NXEZZACHSA-N 0 3 369.809 -0.664 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1NCc1ccnn1C ZINC001082884122 838876117 /nfs/dbraw/zinc/87/61/17/838876117.db2.gz DRMVYQOUTPLFOC-XNRPHZJLSA-N 0 3 369.491 -0.172 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1NCc1ccnn1C ZINC001082884123 838876561 /nfs/dbraw/zinc/87/65/61/838876561.db2.gz DRMVYQOUTPLFOC-XPKDYRNWSA-N 0 3 369.491 -0.172 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@H]2C)n[nH]1 ZINC001082884129 838875601 /nfs/dbraw/zinc/87/56/01/838875601.db2.gz DWLCCNYTZGDDNA-HCKVZZMMSA-N 0 3 370.479 -0.478 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@H]2C)n[nH]1 ZINC001082884130 838875751 /nfs/dbraw/zinc/87/57/51/838875751.db2.gz DWLCCNYTZGDDNA-IXPVHAAZSA-N 0 3 370.479 -0.478 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1NCc1cncn1C ZINC001082884201 838875977 /nfs/dbraw/zinc/87/59/77/838875977.db2.gz IAURHERAKJFTJQ-XNRPHZJLSA-N 0 3 369.491 -0.172 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1NCc1cncn1C ZINC001082884202 838876348 /nfs/dbraw/zinc/87/63/48/838876348.db2.gz IAURHERAKJFTJQ-XPKDYRNWSA-N 0 3 369.491 -0.172 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1NCc1cnn(C)c1 ZINC001082884286 838876442 /nfs/dbraw/zinc/87/64/42/838876442.db2.gz LJJQTUNEBTXJOK-XNRPHZJLSA-N 0 3 369.491 -0.172 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1NCc1cnn(C)c1 ZINC001082884287 838875778 /nfs/dbraw/zinc/87/57/78/838875778.db2.gz LJJQTUNEBTXJOK-XPKDYRNWSA-N 0 3 369.491 -0.172 20 0 FBADHN CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001082887594 838877075 /nfs/dbraw/zinc/87/70/75/838877075.db2.gz CBFSMUKFONEQAF-FVQBIDKESA-N 0 3 350.463 -0.086 20 0 FBADHN CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001082887595 838877242 /nfs/dbraw/zinc/87/72/42/838877242.db2.gz CBFSMUKFONEQAF-VNQPRFMTSA-N 0 3 350.463 -0.086 20 0 FBADHN Cc1nn(CC(=O)N2C[C@@H](C)[C@H](NCc3cncs3)C2)c(=O)n1C ZINC001082893039 838877425 /nfs/dbraw/zinc/87/74/25/838877425.db2.gz HRLNYTWFTWNACG-ZWNOBZJWSA-N 0 3 350.448 -0.017 20 0 FBADHN Cc1nn(CC(=O)N2C[C@@H](C)[C@H](NCc3ccns3)C2)c(=O)n1C ZINC001082893186 838877323 /nfs/dbraw/zinc/87/73/23/838877323.db2.gz SJXSVMZLARTMEF-ZWNOBZJWSA-N 0 3 350.448 -0.017 20 0 FBADHN CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC001082894059 838878879 /nfs/dbraw/zinc/87/88/79/838878879.db2.gz NVKOEEXZPLYPBD-HONMWMINSA-N 0 3 350.423 -0.703 20 0 FBADHN CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC001082894060 838879063 /nfs/dbraw/zinc/87/90/63/838879063.db2.gz NVKOEEXZPLYPBD-LERXQTSPSA-N 0 3 350.423 -0.703 20 0 FBADHN Cc1ncsc1CN[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001082906831 838879000 /nfs/dbraw/zinc/87/90/00/838879000.db2.gz IYEXHZAEKHUVRX-MWLCHTKSSA-N 0 3 351.432 -0.060 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C)s1 ZINC001082906837 838878787 /nfs/dbraw/zinc/87/87/87/838878787.db2.gz JGNUXPJHJOQSCF-BXKDBHETSA-N 0 3 351.432 -0.060 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C)sn1 ZINC001082906948 838879251 /nfs/dbraw/zinc/87/92/51/838879251.db2.gz RDUKLWIKJPAWSD-MWLCHTKSSA-N 0 3 367.431 -0.360 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C)sn1 ZINC001082907055 838881063 /nfs/dbraw/zinc/88/10/63/838881063.db2.gz YMXIKBVNYOMNHR-BXKDBHETSA-N 0 3 351.432 -0.060 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1NCc1ccns1 ZINC001082907273 838880839 /nfs/dbraw/zinc/88/08/39/838880839.db2.gz KWTZRJURTKYLBV-ZYHUDNBSSA-N 0 3 351.432 -0.026 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1NCc1cncs1 ZINC001082907317 838880796 /nfs/dbraw/zinc/88/07/96/838880796.db2.gz NJIOALZMAMYZCA-ZYHUDNBSSA-N 0 3 351.432 -0.026 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082909584 838880292 /nfs/dbraw/zinc/88/02/92/838880292.db2.gz ZSGWNCUWMRWTSW-CHWSQXEVSA-N 0 3 350.419 -0.806 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C)C1=O ZINC001082910055 838881611 /nfs/dbraw/zinc/88/16/11/838881611.db2.gz VGPDKTAFQYDNAL-FRRDWIJNSA-N 0 3 350.419 -0.807 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C)C1=O ZINC001082910056 838882047 /nfs/dbraw/zinc/88/20/47/838882047.db2.gz VGPDKTAFQYDNAL-JHJVBQTASA-N 0 3 350.419 -0.807 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082910061 838882429 /nfs/dbraw/zinc/88/24/29/838882429.db2.gz VOQJUDHEMBMCRQ-KWCYVHTRSA-N 0 3 351.451 -0.556 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082910062 838881665 /nfs/dbraw/zinc/88/16/65/838881665.db2.gz VOQJUDHEMBMCRQ-MRVWCRGKSA-N 0 3 351.451 -0.556 20 0 FBADHN CC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001082910097 838881462 /nfs/dbraw/zinc/88/14/62/838881462.db2.gz XIOJOHUKFPAKBZ-CZUORRHYSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001082910244 838881253 /nfs/dbraw/zinc/88/12/53/838881253.db2.gz FFDSVQVKEPFYFL-DAXOMENPSA-N 0 3 350.463 -0.088 20 0 FBADHN CC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@H]3CCN(C)C3=O)C2)CC1 ZINC001082910245 838881720 /nfs/dbraw/zinc/88/17/20/838881720.db2.gz FFDSVQVKEPFYFL-UHOFOFEASA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082910372 838881366 /nfs/dbraw/zinc/88/13/66/838881366.db2.gz NRZXZNHEMXEEMI-TZMCWYRMSA-N 0 3 351.451 -0.554 20 0 FBADHN Cc1csc(=O)n1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082915531 838881853 /nfs/dbraw/zinc/88/18/53/838881853.db2.gz BJKDOXHUFMEUGN-DGCLKSJQSA-N 0 3 352.460 -0.113 20 0 FBADHN Cc1csc(=O)n1CC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001082915865 838882886 /nfs/dbraw/zinc/88/28/86/838882886.db2.gz YVZSVEKEXOQRHP-KGYLQXTDSA-N 0 3 352.460 -0.115 20 0 FBADHN Cc1csc(=O)n1CC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001082915872 838883620 /nfs/dbraw/zinc/88/36/20/838883620.db2.gz YVZSVEKEXOQRHP-RAIGVLPGSA-N 0 3 352.460 -0.115 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1NCc1ccnn1C ZINC001082918679 838881752 /nfs/dbraw/zinc/88/17/52/838881752.db2.gz CRFNWSZVHHGXID-UKRRQHHQSA-N 0 3 369.491 -0.913 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1NCc1cnn(C)c1 ZINC001082918688 838882375 /nfs/dbraw/zinc/88/23/75/838882375.db2.gz DJRVYQVLWOHUFC-UKRRQHHQSA-N 0 3 369.491 -0.913 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1NCc1cncn1C ZINC001082918697 838881991 /nfs/dbraw/zinc/88/19/91/838881991.db2.gz DVENOLYWOQDZEE-UKRRQHHQSA-N 0 3 369.491 -0.913 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1NCc1cccnc1 ZINC001082918894 838882079 /nfs/dbraw/zinc/88/20/79/838882079.db2.gz SHCNCLVNCJCZEW-GDBMZVCRSA-N 0 3 366.487 -0.252 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1 ZINC001082923435 838883034 /nfs/dbraw/zinc/88/30/34/838883034.db2.gz KAVBMKAEVIDELG-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1 ZINC001082923436 838883997 /nfs/dbraw/zinc/88/39/97/838883997.db2.gz KAVBMKAEVIDELG-IJEWVQPXSA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2ncnn2C)C1 ZINC001082923541 838883780 /nfs/dbraw/zinc/88/37/80/838883780.db2.gz OCPXOPVEFCSVBF-QLFBSQMISA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2ncnn2C)C1 ZINC001082923542 838882832 /nfs/dbraw/zinc/88/28/32/838882832.db2.gz OCPXOPVEFCSVBF-RBSFLKMASA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)n2)C1 ZINC001082923552 838882728 /nfs/dbraw/zinc/88/27/28/838882728.db2.gz PCPNCKFHZWAZDU-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)n2)C1 ZINC001082923553 838883928 /nfs/dbraw/zinc/88/39/28/838883928.db2.gz PCPNCKFHZWAZDU-IJEWVQPXSA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2nncn2C)C1 ZINC001082923596 838883967 /nfs/dbraw/zinc/88/39/67/838883967.db2.gz ROTHYEJQJXFKKJ-QLFBSQMISA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2nncn2C)C1 ZINC001082923597 838884063 /nfs/dbraw/zinc/88/40/63/838884063.db2.gz ROTHYEJQJXFKKJ-RBSFLKMASA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nn2)C1 ZINC001082923611 838883299 /nfs/dbraw/zinc/88/32/99/838883299.db2.gz SXGGNYHJLMFZID-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nn2)C1 ZINC001082923612 838883706 /nfs/dbraw/zinc/88/37/06/838883706.db2.gz SXGGNYHJLMFZID-IJEWVQPXSA-N 0 3 350.467 -0.280 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)ccn1 ZINC001082926984 838884591 /nfs/dbraw/zinc/88/45/91/838884591.db2.gz FFPAJROYJCLEQY-KWCYVHTRSA-N 0 3 368.459 -0.282 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)ccn1 ZINC001082926985 838884486 /nfs/dbraw/zinc/88/44/86/838884486.db2.gz FFPAJROYJCLEQY-MRVWCRGKSA-N 0 3 368.459 -0.282 20 0 FBADHN COc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)cn1 ZINC001082927105 838884736 /nfs/dbraw/zinc/88/47/36/838884736.db2.gz LGZCUNVEBDUDMX-KWCYVHTRSA-N 0 3 368.459 -0.282 20 0 FBADHN COc1ccc(CN[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)cn1 ZINC001082927106 838885735 /nfs/dbraw/zinc/88/57/35/838885735.db2.gz LGZCUNVEBDUDMX-MRVWCRGKSA-N 0 3 368.459 -0.282 20 0 FBADHN COc1cccc(CN[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)n1 ZINC001082927250 838884624 /nfs/dbraw/zinc/88/46/24/838884624.db2.gz UKBUSRCPMKAIRK-KWCYVHTRSA-N 0 3 368.459 -0.282 20 0 FBADHN COc1cccc(CN[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)n1 ZINC001082927251 838885459 /nfs/dbraw/zinc/88/54/59/838885459.db2.gz UKBUSRCPMKAIRK-MRVWCRGKSA-N 0 3 368.459 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1NCc1cncc(F)c1 ZINC001082927316 838885494 /nfs/dbraw/zinc/88/54/94/838885494.db2.gz XLMFPSIHKLHTPH-DDTOSNHZSA-N 0 3 356.423 -0.151 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1NCc1cncc(F)c1 ZINC001082927317 838885417 /nfs/dbraw/zinc/88/54/17/838885417.db2.gz XLMFPSIHKLHTPH-LERXQTSPSA-N 0 3 356.423 -0.151 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001082927514 838886780 /nfs/dbraw/zinc/88/67/80/838886780.db2.gz FQITVPRVXPHRQO-KGYLQXTDSA-N 0 3 370.479 -0.765 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001082927515 838886484 /nfs/dbraw/zinc/88/64/84/838886484.db2.gz FQITVPRVXPHRQO-RAIGVLPGSA-N 0 3 370.479 -0.765 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001082927684 838887236 /nfs/dbraw/zinc/88/72/36/838887236.db2.gz OFDFCMGUMSYPNU-DDTOSNHZSA-N 0 3 355.464 -0.643 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001082927685 838887281 /nfs/dbraw/zinc/88/72/81/838887281.db2.gz OFDFCMGUMSYPNU-LERXQTSPSA-N 0 3 355.464 -0.643 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001082927748 838886151 /nfs/dbraw/zinc/88/61/51/838886151.db2.gz RIPLBGADKLWXNQ-ADEWGFFLSA-N 0 3 368.463 -0.690 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001082927749 838886256 /nfs/dbraw/zinc/88/62/56/838886256.db2.gz RIPLBGADKLWXNQ-YUSALJHKSA-N 0 3 368.463 -0.690 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)cn1 ZINC001082927891 838888078 /nfs/dbraw/zinc/88/80/78/838888078.db2.gz YUGSLJWMYXODIM-DDTOSNHZSA-N 0 3 353.448 -0.587 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)cn1 ZINC001082927892 838887875 /nfs/dbraw/zinc/88/78/75/838887875.db2.gz YUGSLJWMYXODIM-LERXQTSPSA-N 0 3 353.448 -0.587 20 0 FBADHN CC(C)c1nc(CN[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)n[nH]1 ZINC001082927913 838888332 /nfs/dbraw/zinc/88/83/32/838888332.db2.gz ZTTGPHXWZYPSSI-GRYCIOLGSA-N 0 3 370.479 -0.444 20 0 FBADHN CC(C)c1nc(CN[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)n[nH]1 ZINC001082927914 838888838 /nfs/dbraw/zinc/88/88/38/838888838.db2.gz ZTTGPHXWZYPSSI-IJLUTSLNSA-N 0 3 370.479 -0.444 20 0 FBADHN CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001082931250 838884971 /nfs/dbraw/zinc/88/49/71/838884971.db2.gz XFPCIVVDCDQWAT-HONMWMINSA-N 0 3 350.423 -0.703 20 0 FBADHN CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001082931251 838884528 /nfs/dbraw/zinc/88/45/28/838884528.db2.gz XFPCIVVDCDQWAT-LERXQTSPSA-N 0 3 350.423 -0.703 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082931576 838887780 /nfs/dbraw/zinc/88/77/80/838887780.db2.gz HJQLCBXISCVBJU-MCIONIFRSA-N 0 3 357.476 -0.378 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082931577 838887761 /nfs/dbraw/zinc/88/77/61/838887761.db2.gz HJQLCBXISCVBJU-MGPQQGTHSA-N 0 3 357.476 -0.378 20 0 FBADHN CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001082934062 838890263 /nfs/dbraw/zinc/89/02/63/838890263.db2.gz WVOUSWIOHIKQLN-BZUAXINKSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001082934063 838890070 /nfs/dbraw/zinc/89/00/70/838890070.db2.gz WVOUSWIOHIKQLN-OAGGEKHMSA-N 0 3 352.479 -0.234 20 0 FBADHN CCn1nncc1CN[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001082934099 838889711 /nfs/dbraw/zinc/88/97/11/838889711.db2.gz YTRMTNACIKGFFP-BMFZPTHFSA-N 0 3 350.467 -0.045 20 0 FBADHN CCn1nncc1CN[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001082934100 838890408 /nfs/dbraw/zinc/89/04/08/838890408.db2.gz YTRMTNACIKGFFP-FVQBIDKESA-N 0 3 350.467 -0.045 20 0 FBADHN C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001082941724 838889935 /nfs/dbraw/zinc/88/99/35/838889935.db2.gz IXSUEWSQTHTNBI-ZIAGYGMSSA-N 0 3 350.467 -0.079 20 0 FBADHN Cc1ncsc1CN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001082942447 838890007 /nfs/dbraw/zinc/89/00/07/838890007.db2.gz BUHJSTZGQKXMGL-MWLCHTKSSA-N 0 3 363.447 -0.221 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C)s1 ZINC001082942758 838890089 /nfs/dbraw/zinc/89/00/89/838890089.db2.gz TZSRIBLUSBTEKM-BXKDBHETSA-N 0 3 363.447 -0.221 20 0 FBADHN Cc1cc(CN[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C)sn1 ZINC001082942974 838890165 /nfs/dbraw/zinc/89/01/65/838890165.db2.gz GOKPFZCSGHQFOL-BXKDBHETSA-N 0 3 363.447 -0.221 20 0 FBADHN Cc1sc(=O)n(CC(=O)N2C[C@@H](C)[C@H](N[C@H]3CCNC3=O)C2)c1C ZINC001082943101 838889669 /nfs/dbraw/zinc/88/96/69/838889669.db2.gz QPRVNZYXRRJHET-JIMOISOXSA-N 0 3 352.460 -0.148 20 0 FBADHN Cc1sc(=O)n(CC(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCNC3=O)C2)c1C ZINC001082943102 838891762 /nfs/dbraw/zinc/89/17/62/838891762.db2.gz QPRVNZYXRRJHET-OASPWFOLSA-N 0 3 352.460 -0.148 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082944909 838891254 /nfs/dbraw/zinc/89/12/54/838891254.db2.gz OLABYJAUKYTGQE-QLFBSQMISA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082944910 838891455 /nfs/dbraw/zinc/89/14/55/838891455.db2.gz OLABYJAUKYTGQE-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C1CC1 ZINC001082945759 838889076 /nfs/dbraw/zinc/88/90/76/838889076.db2.gz CHLXKYPLQZWONT-GZBFAFLISA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1)C1CC1 ZINC001082945760 838889634 /nfs/dbraw/zinc/88/96/34/838889634.db2.gz CHLXKYPLQZWONT-UMVBOHGHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082956388 838890687 /nfs/dbraw/zinc/89/06/87/838890687.db2.gz YIMDXQANTUVBQQ-GHMZBOCLSA-N 0 3 368.434 -0.104 20 0 FBADHN Cc1nonc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001082959290 838891114 /nfs/dbraw/zinc/89/11/14/838891114.db2.gz YLZMCIRXDNVEEJ-NQBHXWOUSA-N 0 3 351.407 -0.325 20 0 FBADHN Cc1nonc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001082959291 838890832 /nfs/dbraw/zinc/89/08/32/838890832.db2.gz YLZMCIRXDNVEEJ-NTZNESFSSA-N 0 3 351.407 -0.325 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082959758 838891528 /nfs/dbraw/zinc/89/15/28/838891528.db2.gz KEEUFXUOEAUAGB-MCIONIFRSA-N 0 3 351.451 -0.412 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082963945 838891179 /nfs/dbraw/zinc/89/11/79/838891179.db2.gz GYECBABBYFFGFB-FRRDWIJNSA-N 0 3 350.419 -0.902 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001082963946 838891789 /nfs/dbraw/zinc/89/17/89/838891789.db2.gz GYECBABBYFFGFB-JHJVBQTASA-N 0 3 350.419 -0.902 20 0 FBADHN CCn1nncc1CN[C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1C ZINC001082964039 838893683 /nfs/dbraw/zinc/89/36/83/838893683.db2.gz KUWDYKHXUGTANN-IJEWVQPXSA-N 0 3 350.467 -0.045 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1)N1CCOCC1 ZINC001082964334 838892781 /nfs/dbraw/zinc/89/27/81/838892781.db2.gz YGDGRVNTLFYCOH-OWCLPIDISA-N 0 3 352.479 -0.234 20 0 FBADHN O=C(Cn1cnnn1)N1CCO[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]21 ZINC001082994747 838897620 /nfs/dbraw/zinc/89/76/20/838897620.db2.gz AAPRTFUDXMNYBK-QLFBSQMISA-N 0 3 350.423 -0.456 20 0 FBADHN O=C(Cn1cnnn1)N1CCO[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001082994748 838898429 /nfs/dbraw/zinc/89/84/29/838898429.db2.gz AAPRTFUDXMNYBK-SOUVJXGZSA-N 0 3 350.423 -0.456 20 0 FBADHN O=C(CN1CCCC1=O)N1CCO[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]21 ZINC001082994974 838898173 /nfs/dbraw/zinc/89/81/73/838898173.db2.gz KPJBZXYGNLBKQO-HRCADAONSA-N 0 3 351.447 -0.053 20 0 FBADHN O=C(CN1CCCC1=O)N1CCO[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]21 ZINC001082994975 838897565 /nfs/dbraw/zinc/89/75/65/838897565.db2.gz KPJBZXYGNLBKQO-OWCLPIDISA-N 0 3 351.447 -0.053 20 0 FBADHN O=C(CN1CCCC1=O)N1CCO[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]21 ZINC001082995418 838899983 /nfs/dbraw/zinc/89/99/83/838899983.db2.gz FEASNNBTISELAN-HRCADAONSA-N 0 3 351.447 -0.053 20 0 FBADHN O=C(CN1CCCC1=O)N1CCO[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]21 ZINC001082995419 838899819 /nfs/dbraw/zinc/89/98/19/838899819.db2.gz FEASNNBTISELAN-OWCLPIDISA-N 0 3 351.447 -0.053 20 0 FBADHN O=C(Cn1cnnn1)N1CCO[C@@H]2CN(CCC3CCOCC3)C[C@@H]21 ZINC001082996066 838900245 /nfs/dbraw/zinc/90/02/45/838900245.db2.gz LBIJXROUVCFVBB-LSDHHAIUSA-N 0 3 350.423 -0.599 20 0 FBADHN CCOC1CC(CN2C[C@H]3OCCN(C(=O)Cn4cnnn4)[C@H]3C2)C1 ZINC001082996183 838898950 /nfs/dbraw/zinc/89/89/50/838898950.db2.gz SCDHGJYFKRSMBO-PFSRBDOWSA-N 0 3 350.423 -0.600 20 0 FBADHN O=C(Cn1cnnn1)N1CCO[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001082996187 838900169 /nfs/dbraw/zinc/90/01/69/838900169.db2.gz SEFQSSRWOZAZRS-QLFBSQMISA-N 0 3 350.423 -0.599 20 0 FBADHN O=C(Cn1cnnn1)N1CCO[C@@H]2CN(CCC[C@H]3CCOC3)C[C@@H]21 ZINC001082996188 838900279 /nfs/dbraw/zinc/90/02/79/838900279.db2.gz SEFQSSRWOZAZRS-SOUVJXGZSA-N 0 3 350.423 -0.599 20 0 FBADHN CO[C@H](CN1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1)C1CCC1 ZINC001082996221 838898879 /nfs/dbraw/zinc/89/88/79/838898879.db2.gz UTNJISJYUXGMEX-RRFJBIMHSA-N 0 3 350.423 -0.600 20 0 FBADHN CO[C@@H](CN1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1)C1CCC1 ZINC001082996222 838899947 /nfs/dbraw/zinc/89/99/47/838899947.db2.gz UTNJISJYUXGMEX-SOUVJXGZSA-N 0 3 350.423 -0.600 20 0 FBADHN O=C([C@H]1CCC(=O)N1)N1CCO[C@@H]2CN(CCC3CCOCC3)C[C@@H]21 ZINC001083024819 838909174 /nfs/dbraw/zinc/90/91/74/838909174.db2.gz BBHZXJFZRUBAEP-OWCLPIDISA-N 0 3 351.447 -0.007 20 0 FBADHN O=C(CN1CCOCC1)N1CCO[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]21 ZINC001083054883 838920484 /nfs/dbraw/zinc/92/04/84/838920484.db2.gz DJUQZWYXONPIMK-IXDOHACOSA-N 0 3 353.463 -0.201 20 0 FBADHN O=C(CN1CCOCC1)N1CCO[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083054884 838920451 /nfs/dbraw/zinc/92/04/51/838920451.db2.gz DJUQZWYXONPIMK-YESZJQIVSA-N 0 3 353.463 -0.201 20 0 FBADHN O=C(CN1CCOCC1)N1CCO[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]21 ZINC001083055022 838920757 /nfs/dbraw/zinc/92/07/57/838920757.db2.gz QUJRQPADGJBOGT-IXDOHACOSA-N 0 3 353.463 -0.343 20 0 FBADHN O=C(CN1CCOCC1)N1CCO[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083055023 838920886 /nfs/dbraw/zinc/92/08/86/838920886.db2.gz QUJRQPADGJBOGT-YESZJQIVSA-N 0 3 353.463 -0.343 20 0 FBADHN O=C(CN1CCOCC1)N1CCO[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]21 ZINC001083055123 838919899 /nfs/dbraw/zinc/91/98/99/838919899.db2.gz XXTUPZHNDLNHPK-IXDOHACOSA-N 0 3 353.463 -0.343 20 0 FBADHN O=C(CN1CCOCC1)N1CCO[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]21 ZINC001083055124 838920801 /nfs/dbraw/zinc/92/08/01/838920801.db2.gz XXTUPZHNDLNHPK-YESZJQIVSA-N 0 3 353.463 -0.343 20 0 FBADHN O=C(CN1CN=NC1=O)N1CCO[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]21 ZINC001083056959 838923406 /nfs/dbraw/zinc/92/34/06/838923406.db2.gz LYCOEBFSXHXKTB-HZSPNIEDSA-N 0 3 351.407 -0.536 20 0 FBADHN O=C(CN1CN=NC1=O)N1CCO[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083056960 838923597 /nfs/dbraw/zinc/92/35/97/838923597.db2.gz LYCOEBFSXHXKTB-MELADBBJSA-N 0 3 351.407 -0.536 20 0 FBADHN O=C(CN1CN=NC1=O)N1CCO[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]21 ZINC001083057064 838923389 /nfs/dbraw/zinc/92/33/89/838923389.db2.gz QBJHBOUQYCDJPQ-HZSPNIEDSA-N 0 3 351.407 -0.678 20 0 FBADHN O=C(CN1CN=NC1=O)N1CCO[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083057065 838923379 /nfs/dbraw/zinc/92/33/79/838923379.db2.gz QBJHBOUQYCDJPQ-MELADBBJSA-N 0 3 351.407 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/nfs/dbraw/zinc/59/27/52/679592752.db2.gz ZORBJYRJRBWACN-CABCVRRESA-N 0 3 352.479 -0.356 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O)N1CCCCC1 ZINC001083460536 679593307 /nfs/dbraw/zinc/59/33/07/679593307.db2.gz LXFMYOKOWPRRRN-ILXRZTDVSA-N 0 3 352.479 -0.309 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O)N1CCCCC1 ZINC001083460537 679593350 /nfs/dbraw/zinc/59/33/50/679593350.db2.gz LXFMYOKOWPRRRN-KFWWJZLASA-N 0 3 352.479 -0.309 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O)N1CCCCC1 ZINC001083460585 679593396 /nfs/dbraw/zinc/59/33/96/679593396.db2.gz NPWHMPZXCRBSJZ-CABCVRRESA-N 0 3 352.479 -0.309 20 0 FBADHN C[C@H](C(=O)N(C)C)N1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](O)C1 ZINC001083462887 679594578 /nfs/dbraw/zinc/59/45/78/679594578.db2.gz FPWOXLTYUARKSS-KFWWJZLASA-N 0 3 354.495 -0.111 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](O)C1 ZINC001083462888 679594481 /nfs/dbraw/zinc/59/44/81/679594481.db2.gz 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679601644 /nfs/dbraw/zinc/60/16/44/679601644.db2.gz PMAUINDYCPQJBI-XQQFMLRXSA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]2O)n1 ZINC001083478037 679601536 /nfs/dbraw/zinc/60/15/36/679601536.db2.gz QPCRIXKHPRJHOR-UPJWGTAASA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]2O)n1 ZINC001083478038 679601405 /nfs/dbraw/zinc/60/14/05/679601405.db2.gz QPCRIXKHPRJHOR-XQQFMLRXSA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@@H]2O)n1 ZINC001083478192 679601580 /nfs/dbraw/zinc/60/15/80/679601580.db2.gz ZHPYMADWHYSHLP-OLZOCXBDSA-N 0 3 352.439 -0.370 20 0 FBADHN CC(C)(C)n1nnc(CC(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083486236 679602841 /nfs/dbraw/zinc/60/28/41/679602841.db2.gz OJDOIMQDPWTWKQ-UPJWGTAASA-N 0 3 352.439 -0.832 20 0 FBADHN CC(C)(C)n1nnc(CC(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083486237 679602814 /nfs/dbraw/zinc/60/28/14/679602814.db2.gz 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836995919 /nfs/dbraw/zinc/99/59/19/836995919.db2.gz DPXPGHDCSTZPLJ-CVEARBPZSA-N 0 3 350.463 -0.530 20 0 FBADHN Cn1c(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@@H]2O)c[nH]c1=O ZINC001083699836 836999479 /nfs/dbraw/zinc/99/94/79/836999479.db2.gz PCQVALNMSOZXIK-SNPRPXQTSA-N 0 3 352.435 -0.158 20 0 FBADHN Cn1c(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@@H]2O)c[nH]c1=O ZINC001083699837 836999837 /nfs/dbraw/zinc/99/98/37/836999837.db2.gz PCQVALNMSOZXIK-YUELXQCFSA-N 0 3 352.435 -0.158 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)NC1=O ZINC001083700066 836999435 /nfs/dbraw/zinc/99/94/35/836999435.db2.gz AGOITJNVDBAREY-ILXRZTDVSA-N 0 3 354.451 -0.622 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)NC1=O ZINC001083700067 836999336 /nfs/dbraw/zinc/99/93/36/836999336.db2.gz AGOITJNVDBAREY-KFWWJZLASA-N 0 3 354.451 -0.622 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@@H]2O)NC1=O ZINC001083700285 837000689 /nfs/dbraw/zinc/00/06/89/837000689.db2.gz 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837041488 /nfs/dbraw/zinc/04/14/88/837041488.db2.gz QHSQQSBCPDDNOV-OAGGEKHMSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)C1 ZINC001083723525 837049379 /nfs/dbraw/zinc/04/93/79/837049379.db2.gz OAADXIYWVHUXTC-OWCLPIDISA-N 0 3 351.451 -0.846 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)C1 ZINC001083723526 837050059 /nfs/dbraw/zinc/05/00/59/837050059.db2.gz OAADXIYWVHUXTC-PMPSAXMXSA-N 0 3 351.451 -0.846 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(CCOC3CCC3)C[C@@H]2O)C1 ZINC001083723543 837050135 /nfs/dbraw/zinc/05/01/35/837050135.db2.gz ONYLXJQFADSEKM-IKGGRYGDSA-N 0 3 355.479 -0.174 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(CCOC3CCC3)C[C@@H]2O)C1 ZINC001083723544 837049585 /nfs/dbraw/zinc/04/95/85/837049585.db2.gz ONYLXJQFADSEKM-IXDOHACOSA-N 0 3 355.479 -0.174 20 0 FBADHN NC(=O)Cc1occc1C(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083731537 837082171 /nfs/dbraw/zinc/08/21/71/837082171.db2.gz DAESEHDGVYMHSM-BNOWGMLFSA-N 0 3 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C[C@@H](C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O)N1CCCCCC1 ZINC001083831310 837591436 /nfs/dbraw/zinc/59/14/36/837591436.db2.gz GPNGLAIMXAKNHI-ZNMIVQPWSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O)N1CCCCCC1 ZINC001083831334 837591367 /nfs/dbraw/zinc/59/13/67/837591367.db2.gz HIJGRVHENDPISJ-BMFZPTHFSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O)N1CCCCCC1 ZINC001083831335 837590921 /nfs/dbraw/zinc/59/09/21/837590921.db2.gz HIJGRVHENDPISJ-IMJJTQAJSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O)N1CCCCCC1 ZINC001083831562 837591040 /nfs/dbraw/zinc/59/10/40/837591040.db2.gz REQPAQZZQNJMSB-OAGGEKHMSA-N 0 3 352.479 -0.356 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O)N1CCCCCC1 ZINC001083831563 837590939 /nfs/dbraw/zinc/59/09/39/837590939.db2.gz REQPAQZZQNJMSB-XHSDSOJGSA-N 0 3 352.479 -0.356 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O)N1CCCCCC1 ZINC001083831574 837590887 /nfs/dbraw/zinc/59/08/87/837590887.db2.gz RSQVZMXFQYTPCH-MCIONIFRSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O)N1CCCCCC1 ZINC001083831575 837590878 /nfs/dbraw/zinc/59/08/78/837590878.db2.gz RSQVZMXFQYTPCH-MJBXVCDLSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O)N1CCCCCC1 ZINC001083831576 837590894 /nfs/dbraw/zinc/59/08/94/837590894.db2.gz RWUZLEIMGZAKQN-MCIONIFRSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O)N1CCCCCC1 ZINC001083831577 837591340 /nfs/dbraw/zinc/59/13/40/837591340.db2.gz RWUZLEIMGZAKQN-MJBXVCDLSA-N 0 3 351.455 -0.864 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O)N1CCCCCC1 ZINC001083831607 837591208 /nfs/dbraw/zinc/59/12/08/837591208.db2.gz TUVJKOFEFDCTIB-OAGGEKHMSA-N 0 3 350.467 -0.296 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O)N1CCCCCC1 ZINC001083831608 837590990 /nfs/dbraw/zinc/59/09/90/837590990.db2.gz TUVJKOFEFDCTIB-XHSDSOJGSA-N 0 3 350.467 -0.296 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O)N1CCCCCC1 ZINC001083831646 837591422 /nfs/dbraw/zinc/59/14/22/837591422.db2.gz VNIPYSVIZNILMU-BMFZPTHFSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O)N1CCCCCC1 ZINC001083831647 837592482 /nfs/dbraw/zinc/59/24/82/837592482.db2.gz VNIPYSVIZNILMU-IMJJTQAJSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O)N1CCCCCC1 ZINC001083831686 837592215 /nfs/dbraw/zinc/59/22/15/837592215.db2.gz WXWZSNCHJZENLX-BMFZPTHFSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O)N1CCCCCC1 ZINC001083831687 837592389 /nfs/dbraw/zinc/59/23/89/837592389.db2.gz WXWZSNCHJZENLX-IMJJTQAJSA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O)N1CCCCCC1 ZINC001083831723 837592609 /nfs/dbraw/zinc/59/26/09/837592609.db2.gz YVYQNFDYMNRGCV-KFWWJZLASA-N 0 3 350.467 -0.259 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O)N1CCCCCC1 ZINC001083831724 837592167 /nfs/dbraw/zinc/59/21/67/837592167.db2.gz YVYQNFDYMNRGCV-ZNMIVQPWSA-N 0 3 350.467 -0.259 20 0 FBADHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083833268 837594224 /nfs/dbraw/zinc/59/42/24/837594224.db2.gz RQWXSEGAEYHPLF-OAGGEKHMSA-N 0 3 350.467 -0.298 20 0 FBADHN CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083833269 837593749 /nfs/dbraw/zinc/59/37/49/837593749.db2.gz RQWXSEGAEYHPLF-PMPSAXMXSA-N 0 3 350.467 -0.298 20 0 FBADHN O=C(Cc1cscn1)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001083837372 837597793 /nfs/dbraw/zinc/59/77/93/837597793.db2.gz ZNLRSUJNNCQCMF-BNOWGMLFSA-N 0 3 352.460 -0.237 20 0 FBADHN O=C(Cc1cscn1)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001083837373 837597817 /nfs/dbraw/zinc/59/78/17/837597817.db2.gz ZNLRSUJNNCQCMF-YUTCNCBUSA-N 0 3 352.460 -0.237 20 0 FBADHN CC1CCN(C(=O)C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@@H]2O)CC1 ZINC001083837547 837663952 /nfs/dbraw/zinc/66/39/52/837663952.db2.gz HGGNYONQWQDUAH-CVEARBPZSA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@@H]2O)C1 ZINC001083838180 837664187 /nfs/dbraw/zinc/66/41/87/837664187.db2.gz IZOIDCSUBVNIDP-BMFZPTHFSA-N 0 3 353.463 -0.167 20 0 FBADHN C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@@H]2O)C1 ZINC001083838181 837663977 /nfs/dbraw/zinc/66/39/77/837663977.db2.gz IZOIDCSUBVNIDP-IMJJTQAJSA-N 0 3 353.463 -0.167 20 0 FBADHN CC1CCN(C(=O)C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083838373 837665072 /nfs/dbraw/zinc/66/50/72/837665072.db2.gz RQWFXLZHRFICPS-OAGGEKHMSA-N 0 3 353.463 -0.167 20 0 FBADHN CC1CCN(C(=O)C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083838374 837665019 /nfs/dbraw/zinc/66/50/19/837665019.db2.gz RQWFXLZHRFICPS-XHSDSOJGSA-N 0 3 353.463 -0.167 20 0 FBADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)c1C(F)(F)F ZINC001083843367 837670047 /nfs/dbraw/zinc/67/00/47/837670047.db2.gz FARBBTZJPSYBCB-AEJSXWLSSA-N 0 3 363.340 -0.355 20 0 FBADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)c1C(F)(F)F ZINC001083843368 837669941 /nfs/dbraw/zinc/66/99/41/837669941.db2.gz FARBBTZJPSYBCB-BBBLOLIVSA-N 0 3 363.340 -0.355 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083845164 837672420 /nfs/dbraw/zinc/67/24/20/837672420.db2.gz MJLMQQVMJYHDGO-MCIONIFRSA-N 0 3 352.439 -0.616 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001083845165 837672182 /nfs/dbraw/zinc/67/21/82/837672182.db2.gz MJLMQQVMJYHDGO-MJBXVCDLSA-N 0 3 352.439 -0.616 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001083845340 837671941 /nfs/dbraw/zinc/67/19/41/837671941.db2.gz VOKPDJFUAYOZFW-MCIONIFRSA-N 0 3 352.439 -0.473 20 0 FBADHN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083845341 837672130 /nfs/dbraw/zinc/67/21/30/837672130.db2.gz VOKPDJFUAYOZFW-MJBXVCDLSA-N 0 3 352.439 -0.473 20 0 FBADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001083850932 837682315 /nfs/dbraw/zinc/68/23/15/837682315.db2.gz CTDOICOSWAEMHU-KGLIPLIRSA-N 0 3 350.423 -0.860 20 0 FBADHN CC[C@@H](C)CN1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083850980 837682201 /nfs/dbraw/zinc/68/22/01/837682201.db2.gz FRQMPJZTKACCEI-MCIONIFRSA-N 0 3 352.439 -0.614 20 0 FBADHN CC[C@H](C)CN1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083850981 837682152 /nfs/dbraw/zinc/68/21/52/837682152.db2.gz FRQMPJZTKACCEI-MJBXVCDLSA-N 0 3 352.439 -0.614 20 0 FBADHN CC(C)CCN1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083851117 837682043 /nfs/dbraw/zinc/68/20/43/837682043.db2.gz NSVKKQUBAAOUGH-KGLIPLIRSA-N 0 3 352.439 -0.614 20 0 FBADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001083851137 837682110 /nfs/dbraw/zinc/68/21/10/837682110.db2.gz OOHNJVLCWRISJK-KGLIPLIRSA-N 0 3 350.423 -0.860 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@@H]2O)S1(=O)=O ZINC001083852650 837688035 /nfs/dbraw/zinc/68/80/35/837688035.db2.gz FGFMZZYPHHYAFF-ILXRZTDVSA-N 0 3 371.503 -0.238 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@@H]2O)S1(=O)=O ZINC001083852651 837688682 /nfs/dbraw/zinc/68/86/82/837688682.db2.gz FGFMZZYPHHYAFF-QLFBSQMISA-N 0 3 371.503 -0.238 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@@H]2O)S1(=O)=O ZINC001083852968 837689552 /nfs/dbraw/zinc/68/95/52/837689552.db2.gz VCUYXMJBHTWHES-HZSPNIEDSA-N 0 3 359.492 -0.382 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@@H]2O)S1(=O)=O ZINC001083852969 837689380 /nfs/dbraw/zinc/68/93/80/837689380.db2.gz VCUYXMJBHTWHES-RDBSUJKOSA-N 0 3 359.492 -0.382 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CC3CCCCC3)C[C@@H]2O)S1(=O)=O ZINC001083853139 837689361 /nfs/dbraw/zinc/68/93/61/837689361.db2.gz DZCMSKGECZRWRU-ILXRZTDVSA-N 0 3 359.492 -0.238 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CC3CCCCC3)C[C@@H]2O)S1(=O)=O ZINC001083853140 837689974 /nfs/dbraw/zinc/68/99/74/837689974.db2.gz DZCMSKGECZRWRU-QLFBSQMISA-N 0 3 359.492 -0.238 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@@H]2O)S1(=O)=O ZINC001083853479 837691000 /nfs/dbraw/zinc/69/10/00/837691000.db2.gz XZHWGZJXKBGADY-ILXRZTDVSA-N 0 3 359.492 -0.238 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@@H]2O)S1(=O)=O ZINC001083853480 837690715 /nfs/dbraw/zinc/69/07/15/837690715.db2.gz XZHWGZJXKBGADY-QLFBSQMISA-N 0 3 359.492 -0.238 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001083856755 837713608 /nfs/dbraw/zinc/71/36/08/837713608.db2.gz NXIKKMLYLSGHFX-FOGDFJRCSA-N 0 3 364.431 -0.260 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001083856756 837712827 /nfs/dbraw/zinc/71/28/27/837712827.db2.gz NXIKKMLYLSGHFX-UMNHJUIQSA-N 0 3 364.431 -0.260 20 0 FBADHN CCOC1CC(CN2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)[C@@H](O)C2)C1 ZINC001083858478 837718265 /nfs/dbraw/zinc/71/82/65/837718265.db2.gz FGJCACUPHKKEPL-HOFDXXJLSA-N 0 3 353.419 -0.984 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858500 837718895 /nfs/dbraw/zinc/71/88/95/837718895.db2.gz FZWKQYUFGDYTIT-JLLWLGSASA-N 0 3 359.373 -0.364 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858501 837718923 /nfs/dbraw/zinc/71/89/23/837718923.db2.gz FZWKQYUFGDYTIT-WCQGTBRESA-N 0 3 359.373 -0.364 20 0 FBADHN CO[C@H](CN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1)C1CCC1 ZINC001083858598 837718218 /nfs/dbraw/zinc/71/82/18/837718218.db2.gz JWKRIMALDIAQNF-HZSPNIEDSA-N 0 3 353.419 -0.984 20 0 FBADHN CO[C@@H](CN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1)C1CCC1 ZINC001083858599 837719017 /nfs/dbraw/zinc/71/90/17/837719017.db2.gz JWKRIMALDIAQNF-RDBSUJKOSA-N 0 3 353.419 -0.984 20 0 FBADHN O=C(N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858748 837721602 /nfs/dbraw/zinc/72/16/02/837721602.db2.gz QZZFXEMFGUIJKK-BNOWGMLFSA-N 0 3 353.419 -0.983 20 0 FBADHN O=C(N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858749 837721313 /nfs/dbraw/zinc/72/13/13/837721313.db2.gz 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O=C(CC1CS(=O)(=O)C1)N[C@@H]1CCCC[C@H]1N[C@@H]1CCCNC1=O ZINC001085250477 839179249 /nfs/dbraw/zinc/17/92/49/839179249.db2.gz WAMRRRMYGKVXOQ-MGPQQGTHSA-N 0 3 357.476 -0.283 20 0 FBADHN CN1CC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)CC2CS(=O)(=O)C2)C1=O ZINC001085250878 839178806 /nfs/dbraw/zinc/17/88/06/839178806.db2.gz OTDPHICDAOJELB-MCIONIFRSA-N 0 3 357.476 -0.331 20 0 FBADHN CN1CC[C@@H](N[C@@H]2CCCC[C@H]2NC(=O)CC2CS(=O)(=O)C2)C1=O ZINC001085250879 839179108 /nfs/dbraw/zinc/17/91/08/839179108.db2.gz OTDPHICDAOJELB-MGPQQGTHSA-N 0 3 357.476 -0.331 20 0 FBADHN COCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)ccc1=O ZINC001085257618 839178578 /nfs/dbraw/zinc/17/85/78/839178578.db2.gz PTTQRWXRKCLPFY-ZIAGYGMSSA-N 0 3 350.419 -0.389 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1)N1CCC1 ZINC001085264563 839180347 /nfs/dbraw/zinc/18/03/47/839180347.db2.gz OZQRWCHNKQUHCK-BFHYXJOUSA-N 0 3 357.476 -0.330 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCC1 ZINC001085264564 839180084 /nfs/dbraw/zinc/18/00/84/839180084.db2.gz OZQRWCHNKQUHCK-MGPQQGTHSA-N 0 3 357.476 -0.330 20 0 FBADHN COCCn1nc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)ccc1=O ZINC001085266634 839180528 /nfs/dbraw/zinc/18/05/28/839180528.db2.gz JWKQQUVVUKCIGW-VXGBXAGGSA-N 0 3 351.407 -0.994 20 0 FBADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1CC1CCC1 ZINC001085285785 839181466 /nfs/dbraw/zinc/18/14/66/839181466.db2.gz GKEZUWWQAUZNLR-BZUAXINKSA-N 0 3 352.479 -0.010 20 0 FBADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1CC1CCC1 ZINC001085285786 839181294 /nfs/dbraw/zinc/18/12/94/839181294.db2.gz GKEZUWWQAUZNLR-OAGGEKHMSA-N 0 3 352.479 -0.010 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1csnn1)N1CCNC(=O)C1 ZINC001085288653 839181897 /nfs/dbraw/zinc/18/18/97/839181897.db2.gz RJKWWKRPKOXRLD-GHMZBOCLSA-N 0 3 366.447 -0.873 20 0 FBADHN CNS(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)cc1 ZINC001085317847 839184590 /nfs/dbraw/zinc/18/45/90/839184590.db2.gz SCZHLYOAURPHPV-ZIAGYGMSSA-N 0 3 368.459 -0.403 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001085317876 839184193 /nfs/dbraw/zinc/18/41/93/839184193.db2.gz URNRMQUHJFLXSK-BBBLOLIVSA-N 0 3 350.341 -0.348 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001085317877 839184389 /nfs/dbraw/zinc/18/43/89/839184389.db2.gz URNRMQUHJFLXSK-OPRDCNLKSA-N 0 3 350.341 -0.348 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCOC[C@H]1C1CC1 ZINC001085317943 839184470 /nfs/dbraw/zinc/18/44/70/839184470.db2.gz XRRRYOMGRBVPLZ-MCIONIFRSA-N 0 3 352.435 -0.874 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001085317944 839183872 /nfs/dbraw/zinc/18/38/72/839183872.db2.gz XRRRYOMGRBVPLZ-MGPQQGTHSA-N 0 3 352.435 -0.874 20 0 FBADHN Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001085330314 839185599 /nfs/dbraw/zinc/18/55/99/839185599.db2.gz ZXBQUZBPWSGKTG-YIYPIFLZSA-N 0 3 350.423 -0.635 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n[nH]1 ZINC001085330640 839185675 /nfs/dbraw/zinc/18/56/75/839185675.db2.gz UGWXDMSEBAVCGC-FVCCEPFGSA-N 0 3 350.423 -0.337 20 0 FBADHN O=C(N[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O)C1CCS(=O)(=O)CC1 ZINC001085351287 839185302 /nfs/dbraw/zinc/18/53/02/839185302.db2.gz ANPNRGMONXSOQS-MCIONIFRSA-N 0 3 357.476 -0.283 20 0 FBADHN O=C(N[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O)C1CCS(=O)(=O)CC1 ZINC001085351288 839185084 /nfs/dbraw/zinc/18/50/84/839185084.db2.gz ANPNRGMONXSOQS-MGPQQGTHSA-N 0 3 357.476 -0.283 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCN(C)S2(=O)=O)n[nH]1 ZINC001085359819 839186552 /nfs/dbraw/zinc/18/65/52/839186552.db2.gz BPXMDAVHTQKWKA-JHJVBQTASA-N 0 3 370.479 -0.336 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCN(C)S2(=O)=O)n[nH]1 ZINC001085359820 839186365 /nfs/dbraw/zinc/18/63/65/839186365.db2.gz BPXMDAVHTQKWKA-UPJWGTAASA-N 0 3 370.479 -0.336 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccnn2C)S1(=O)=O ZINC001085359827 839186582 /nfs/dbraw/zinc/18/65/82/839186582.db2.gz BVZUXGFRDIKCDA-KFWWJZLASA-N 0 3 369.491 -0.029 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccnn2C)S1(=O)=O ZINC001085359828 839186649 /nfs/dbraw/zinc/18/66/49/839186649.db2.gz BVZUXGFRDIKCDA-RBSFLKMASA-N 0 3 369.491 -0.029 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnnn2C)S1(=O)=O ZINC001085360027 839186671 /nfs/dbraw/zinc/18/66/71/839186671.db2.gz LLKIFZDVZCMQAK-MCIONIFRSA-N 0 3 370.479 -0.634 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnnn2C)S1(=O)=O ZINC001085360028 839186479 /nfs/dbraw/zinc/18/64/79/839186479.db2.gz LLKIFZDVZCMQAK-MGPQQGTHSA-N 0 3 370.479 -0.634 20 0 FBADHN Cn1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCN(C)S2(=O)=O)cn1 ZINC001085360326 839187272 /nfs/dbraw/zinc/18/72/72/839187272.db2.gz ZDZFNHHHPNGZHT-KFWWJZLASA-N 0 3 369.491 -0.029 20 0 FBADHN Cn1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCN(C)S2(=O)=O)cn1 ZINC001085360327 839187566 /nfs/dbraw/zinc/18/75/66/839187566.db2.gz ZDZFNHHHPNGZHT-RBSFLKMASA-N 0 3 369.491 -0.029 20 0 FBADHN Cn1cncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085360333 839187636 /nfs/dbraw/zinc/18/76/36/839187636.db2.gz ZJTMMMGSDCVSEX-KFWWJZLASA-N 0 3 369.491 -0.029 20 0 FBADHN Cn1cncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085360334 839187394 /nfs/dbraw/zinc/18/73/94/839187394.db2.gz ZJTMMMGSDCVSEX-RBSFLKMASA-N 0 3 369.491 -0.029 20 0 FBADHN Cc1nnsc1CN[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001085365733 839188511 /nfs/dbraw/zinc/18/85/11/839188511.db2.gz MHFATVYSWFFTRC-GHMZBOCLSA-N 0 3 366.447 -0.085 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1nccs1)N1CCNC(=O)C1 ZINC001085372624 839188680 /nfs/dbraw/zinc/18/86/80/839188680.db2.gz ZJBIUGIIRVTQKI-VXGBXAGGSA-N 0 3 365.459 -0.268 20 0 FBADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001085378273 839190316 /nfs/dbraw/zinc/19/03/16/839190316.db2.gz PNLXBJRTXWXNRJ-JHJVBQTASA-N 0 3 350.423 -0.570 20 0 FBADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001085378274 839190255 /nfs/dbraw/zinc/19/02/55/839190255.db2.gz PNLXBJRTXWXNRJ-YNEHKIRRSA-N 0 3 350.423 -0.570 20 0 FBADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CCOCC2)nn1 ZINC001085386123 839189441 /nfs/dbraw/zinc/18/94/41/839189441.db2.gz IZVJAEBYFFTGHP-CHWSQXEVSA-N 0 3 350.423 -0.255 20 0 FBADHN O=C(Cc1nnc[n-]1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085387578 839189864 /nfs/dbraw/zinc/18/98/64/839189864.db2.gz XJCIFJVSZODJMG-CHWSQXEVSA-N 0 3 350.423 -0.777 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)n[nH]1 ZINC001085426379 839195759 /nfs/dbraw/zinc/19/57/59/839195759.db2.gz FLQBLQKBRLMNHV-IJLUTSLNSA-N 0 3 356.452 -0.678 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)n[nH]1 ZINC001085426380 839195712 /nfs/dbraw/zinc/19/57/12/839195712.db2.gz FLQBLQKBRLMNHV-UTUOFQBUSA-N 0 3 356.452 -0.678 20 0 FBADHN Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)ncn1 ZINC001085426561 839196399 /nfs/dbraw/zinc/19/63/99/839196399.db2.gz MMGKBODHHUUDBK-KFWWJZLASA-N 0 3 367.475 -0.006 20 0 FBADHN Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)ncn1 ZINC001085426562 839196167 /nfs/dbraw/zinc/19/61/67/839196167.db2.gz MMGKBODHHUUDBK-RBSFLKMASA-N 0 3 367.475 -0.006 20 0 FBADHN Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 ZINC001085426707 839196303 /nfs/dbraw/zinc/19/63/03/839196303.db2.gz UKAWCYAICXDLNF-KFWWJZLASA-N 0 3 367.475 -0.006 20 0 FBADHN Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)cn1 ZINC001085426708 839196270 /nfs/dbraw/zinc/19/62/70/839196270.db2.gz UKAWCYAICXDLNF-RBSFLKMASA-N 0 3 367.475 -0.006 20 0 FBADHN Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001085426914 839196418 /nfs/dbraw/zinc/19/64/18/839196418.db2.gz DKZOYMUIDSXBLK-MCIONIFRSA-N 0 3 355.464 -0.371 20 0 FBADHN Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001085426915 839196087 /nfs/dbraw/zinc/19/60/87/839196087.db2.gz DKZOYMUIDSXBLK-MGPQQGTHSA-N 0 3 355.464 -0.371 20 0 FBADHN Cn1cncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001085426957 839196430 /nfs/dbraw/zinc/19/64/30/839196430.db2.gz HDWXZPGMMBEQTL-MCIONIFRSA-N 0 3 355.464 -0.371 20 0 FBADHN Cn1cncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001085426958 839196047 /nfs/dbraw/zinc/19/60/47/839196047.db2.gz HDWXZPGMMBEQTL-MGPQQGTHSA-N 0 3 355.464 -0.371 20 0 FBADHN CCn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001085426993 839195769 /nfs/dbraw/zinc/19/57/69/839195769.db2.gz JGAQUZFJDYAYCI-MCIONIFRSA-N 0 3 370.479 -0.493 20 0 FBADHN CCn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001085426994 839196470 /nfs/dbraw/zinc/19/64/70/839196470.db2.gz JGAQUZFJDYAYCI-MGPQQGTHSA-N 0 3 370.479 -0.493 20 0 FBADHN Cn1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 ZINC001085427041 839196456 /nfs/dbraw/zinc/19/64/56/839196456.db2.gz LJNNMMIPBPWXCL-MCIONIFRSA-N 0 3 355.464 -0.371 20 0 FBADHN Cn1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCS(=O)(=O)N2)cn1 ZINC001085427042 839196350 /nfs/dbraw/zinc/19/63/50/839196350.db2.gz LJNNMMIPBPWXCL-MGPQQGTHSA-N 0 3 355.464 -0.371 20 0 FBADHN Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001085427095 839197110 /nfs/dbraw/zinc/19/71/10/839197110.db2.gz NJCUXRBEOUMVAP-JHJVBQTASA-N 0 3 356.452 -0.976 20 0 FBADHN Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001085427096 839197286 /nfs/dbraw/zinc/19/72/86/839197286.db2.gz NJCUXRBEOUMVAP-UPJWGTAASA-N 0 3 356.452 -0.976 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O)N1CCC1 ZINC001085428567 839198492 /nfs/dbraw/zinc/19/84/92/839198492.db2.gz HTVZJPSOKPOTBO-MCIONIFRSA-N 0 3 357.476 -0.187 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCS1(=O)=O)N1CCC1 ZINC001085428568 839198639 /nfs/dbraw/zinc/19/86/39/839198639.db2.gz HTVZJPSOKPOTBO-MGPQQGTHSA-N 0 3 357.476 -0.187 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001086089704 839230586 /nfs/dbraw/zinc/23/05/86/839230586.db2.gz LUYFXXMIAMCSCR-RFQIPJPRSA-N 0 3 350.467 -0.177 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001086089704 839230577 /nfs/dbraw/zinc/23/05/77/839230577.db2.gz LUYFXXMIAMCSCR-RFQIPJPRSA-N 0 3 350.467 -0.177 20 0 FBADHN C[C@@H](N[C@@H]1C[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)c1nnnn1C ZINC001086120372 839231966 /nfs/dbraw/zinc/23/19/66/839231966.db2.gz WZJQLOUEFMWVFW-XGFWRYKXSA-N 0 3 351.455 -0.525 20 0 FBADHN C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)c1nnnn1C ZINC001086120373 839231492 /nfs/dbraw/zinc/23/14/92/839231492.db2.gz WZJQLOUEFMWVFW-XHJNMGKDSA-N 0 3 351.455 -0.525 20 0 FBADHN CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001086190767 839233827 /nfs/dbraw/zinc/23/38/27/839233827.db2.gz LDROGTMDMVOXLD-APIJFGDWSA-N 0 3 350.463 -0.135 20 0 FBADHN CCn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086196563 839234695 /nfs/dbraw/zinc/23/46/95/839234695.db2.gz RBERKOAORRICES-UZGDPCLZSA-N 0 3 350.423 -0.685 20 0 FBADHN Cc1nc([C@H](C)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n[nH]1 ZINC001086196831 839234466 /nfs/dbraw/zinc/23/44/66/839234466.db2.gz DULTVBQCQOIZIC-AHRFKUBPSA-N 0 3 350.423 -0.309 20 0 FBADHN Cc1nc([C@@H](C)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n[nH]1 ZINC001086196832 839233707 /nfs/dbraw/zinc/23/37/07/839233707.db2.gz DULTVBQCQOIZIC-RFSPMECJSA-N 0 3 350.423 -0.309 20 0 FBADHN Cc1nnsc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086196992 839234318 /nfs/dbraw/zinc/23/43/18/839234318.db2.gz MXYSLSNKWJXKQG-WHOHXGKFSA-N 0 3 353.448 -0.136 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)CC[N@H+]1C ZINC001086371017 839242954 /nfs/dbraw/zinc/24/29/54/839242954.db2.gz LUYFXXMIAMCSCR-XDQVBPFNSA-N 0 3 350.467 -0.177 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)CC[N@@H+]1C ZINC001086371017 839242943 /nfs/dbraw/zinc/24/29/43/839242943.db2.gz LUYFXXMIAMCSCR-XDQVBPFNSA-N 0 3 350.467 -0.177 20 0 FBADHN C[C@@H](N[C@@H]1C[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)c1nnnn1C ZINC001086400775 839243762 /nfs/dbraw/zinc/24/37/62/839243762.db2.gz WZJQLOUEFMWVFW-DHGKCCLASA-N 0 3 351.455 -0.525 20 0 FBADHN C[C@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)c1nnnn1C ZINC001086400776 839243614 /nfs/dbraw/zinc/24/36/14/839243614.db2.gz WZJQLOUEFMWVFW-XVIXHAIJSA-N 0 3 351.455 -0.525 20 0 FBADHN CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001086468649 839246251 /nfs/dbraw/zinc/24/62/51/839246251.db2.gz LDROGTMDMVOXLD-KBUPBQIOSA-N 0 3 350.463 -0.135 20 0 FBADHN Cc1nc([C@H](C)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n[nH]1 ZINC001086476796 839246851 /nfs/dbraw/zinc/24/68/51/839246851.db2.gz DULTVBQCQOIZIC-DUIQVVMOSA-N 0 3 350.423 -0.309 20 0 FBADHN Cc1nc([C@@H](C)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n[nH]1 ZINC001086476797 839246895 /nfs/dbraw/zinc/24/68/95/839246895.db2.gz DULTVBQCQOIZIC-ZGYLKHSLSA-N 0 3 350.423 -0.309 20 0 FBADHN Cc1nnsc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086476959 839247816 /nfs/dbraw/zinc/24/78/16/839247816.db2.gz MXYSLSNKWJXKQG-FIQHERPVSA-N 0 3 353.448 -0.136 20 0 FBADHN CCn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086477054 839248044 /nfs/dbraw/zinc/24/80/44/839248044.db2.gz RBERKOAORRICES-AUZPSNTRSA-N 0 3 350.423 -0.685 20 0 FBADHN O=C(CN1CCCS1(=O)=O)N[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC001086591619 839485561 /nfs/dbraw/zinc/48/55/61/839485561.db2.gz WEWQJRJSDWEASD-JKSUJKDBSA-N 0 3 367.471 -0.402 20 0 FBADHN O=C(N[C@@H]1CN(CCCO)C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)N1 ZINC001086624514 839532606 /nfs/dbraw/zinc/53/26/06/839532606.db2.gz ICLIWTMPPKCLBD-ARFHVFGLSA-N 0 3 367.471 -0.355 20 0 FBADHN O=C(N[C@@H]1CN(CCCO)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)N1 ZINC001086624515 839532356 /nfs/dbraw/zinc/53/23/56/839532356.db2.gz ICLIWTMPPKCLBD-HRCADAONSA-N 0 3 367.471 -0.355 20 0 FBADHN COCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086624597 839538315 /nfs/dbraw/zinc/53/83/15/839538315.db2.gz MEJBRWAJWUGTMZ-ARFHVFGLSA-N 0 3 367.471 -0.091 20 0 FBADHN COCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086624598 839538263 /nfs/dbraw/zinc/53/82/63/839538263.db2.gz MEJBRWAJWUGTMZ-HRCADAONSA-N 0 3 367.471 -0.091 20 0 FBADHN COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001086705175 839709880 /nfs/dbraw/zinc/70/98/80/839709880.db2.gz JNCDAYXHOBMKQG-WCQYABFASA-N 0 3 368.459 -0.096 20 0 FBADHN CCn1nncc1CN[C@@H]1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001086705420 839709712 /nfs/dbraw/zinc/70/97/12/839709712.db2.gz VDRLJFLRWNCCIO-WCQYABFASA-N 0 3 355.464 -0.283 20 0 FBADHN COc1nccc(CN[C@@H]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001086705429 839708899 /nfs/dbraw/zinc/70/88/99/839708899.db2.gz VOQQWDJTNCTONQ-WCQYABFASA-N 0 3 368.459 -0.096 20 0 FBADHN COc1cncc(CN[C@@H]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001086705929 839709288 /nfs/dbraw/zinc/70/92/88/839709288.db2.gz XQXHNSBSJASHQD-WCQYABFASA-N 0 3 368.459 -0.096 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cn(C)nn3)C2)O1 ZINC001086731215 839738354 /nfs/dbraw/zinc/73/83/54/839738354.db2.gz BRDROFRZBSXOGT-HLPPOEQASA-N 0 3 350.467 -0.091 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnn(C)n3)C2)O1 ZINC001086731445 839738860 /nfs/dbraw/zinc/73/88/60/839738860.db2.gz LXMJAHTWVYWXPA-HLPPOEQASA-N 0 3 350.467 -0.091 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3nnnn3C)C2)O1 ZINC001086731780 839739442 /nfs/dbraw/zinc/73/94/42/839739442.db2.gz CHCQGPVPIFNSQS-XJFOESAGSA-N 0 3 351.455 -0.696 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3nncn3C)C2)O1 ZINC001086731854 839739561 /nfs/dbraw/zinc/73/95/61/839739561.db2.gz GPIZHAJNYZQEMQ-LXTVHRRPSA-N 0 3 350.467 -0.091 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3ncnn3C)C2)O1 ZINC001086731897 839739029 /nfs/dbraw/zinc/73/90/29/839739029.db2.gz ITHPPJXFVZCFFU-LXTVHRRPSA-N 0 3 350.467 -0.091 20 0 FBADHN Cn1nncc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001086749640 839742845 /nfs/dbraw/zinc/74/28/45/839742845.db2.gz KYXJUORPSGYJMH-RWMBFGLXSA-N 0 3 355.464 -0.376 20 0 FBADHN Cn1nncc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001086749641 839743291 /nfs/dbraw/zinc/74/32/91/839743291.db2.gz KYXJUORPSGYJMH-YNEHKIRRSA-N 0 3 355.464 -0.376 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)O1 ZINC001086802109 839749174 /nfs/dbraw/zinc/74/91/74/839749174.db2.gz QJPNQUYIZNKMJV-JULQROHOSA-N 0 3 353.448 -0.055 20 0 FBADHN Cc1nnsc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086816344 839752027 /nfs/dbraw/zinc/75/20/27/839752027.db2.gz HDDJVVIVZDOJPI-AXFHLTTASA-N 0 3 366.447 -0.181 20 0 FBADHN O=C(NC[C@H]1CC[C@@H](NCc2cnns2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086816488 839751923 /nfs/dbraw/zinc/75/19/23/839751923.db2.gz NMYODEROSRWFLX-NGZCFLSTSA-N 0 3 352.420 -0.489 20 0 FBADHN Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001086825716 839755901 /nfs/dbraw/zinc/75/59/01/839755901.db2.gz AEPNJKQEMKQYLO-BFHYXJOUSA-N 0 3 369.491 -0.172 20 0 FBADHN Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001086825717 839756128 /nfs/dbraw/zinc/75/61/28/839756128.db2.gz AEPNJKQEMKQYLO-MJBXVCDLSA-N 0 3 369.491 -0.172 20 0 FBADHN Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCN(C)S3(=O)=O)C2)n1 ZINC001086826482 839757528 /nfs/dbraw/zinc/75/75/28/839757528.db2.gz RUZKTOFFONYMOH-GUTXKFCHSA-N 0 3 369.491 -0.172 20 0 FBADHN Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCN(C)S3(=O)=O)C2)n1 ZINC001086826483 839757579 /nfs/dbraw/zinc/75/75/79/839757579.db2.gz RUZKTOFFONYMOH-GZBFAFLISA-N 0 3 369.491 -0.172 20 0 FBADHN O=C(NC[C@H]1CC[C@@H](NCc2cnns2)C1)C1CC(=O)NC(=O)C1 ZINC001086827486 839757547 /nfs/dbraw/zinc/75/75/47/839757547.db2.gz UXIBIXOHXUYXKO-GXSJLCMTSA-N 0 3 351.432 -0.035 20 0 FBADHN CCn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001086878142 839962251 /nfs/dbraw/zinc/96/22/51/839962251.db2.gz AWSVRLUANOMTLG-GUTXKFCHSA-N 0 3 369.491 -0.031 20 0 FBADHN CCn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001086878143 839962074 /nfs/dbraw/zinc/96/20/74/839962074.db2.gz AWSVRLUANOMTLG-GZBFAFLISA-N 0 3 369.491 -0.031 20 0 FBADHN Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1C ZINC001086878199 839963098 /nfs/dbraw/zinc/96/30/98/839963098.db2.gz DYRFGTOVUJCKTA-GUTXKFCHSA-N 0 3 369.491 -0.205 20 0 FBADHN Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1C ZINC001086878200 839963365 /nfs/dbraw/zinc/96/33/65/839963365.db2.gz DYRFGTOVUJCKTA-GZBFAFLISA-N 0 3 369.491 -0.205 20 0 FBADHN Cc1nccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086878261 839963332 /nfs/dbraw/zinc/96/33/32/839963332.db2.gz GVDYPDNMCPHXDY-BFHYXJOUSA-N 0 3 367.475 -0.149 20 0 FBADHN Cc1nccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086878262 839962975 /nfs/dbraw/zinc/96/29/75/839962975.db2.gz GVDYPDNMCPHXDY-MJBXVCDLSA-N 0 3 367.475 -0.149 20 0 FBADHN Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)ncn1 ZINC001086878274 839963204 /nfs/dbraw/zinc/96/32/04/839963204.db2.gz HRUDNJZCYQYXMS-GUTXKFCHSA-N 0 3 367.475 -0.149 20 0 FBADHN Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)ncn1 ZINC001086878275 839962920 /nfs/dbraw/zinc/96/29/20/839962920.db2.gz HRUDNJZCYQYXMS-GZBFAFLISA-N 0 3 367.475 -0.149 20 0 FBADHN O=C(NC[C@H]1CC[C@@H](NCc2cnns2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086878329 839962947 /nfs/dbraw/zinc/96/29/47/839962947.db2.gz KCAFPUDSIKCKOM-HOSYDEDBSA-N 0 3 359.477 -0.396 20 0 FBADHN O=C(NC[C@H]1CC[C@@H](NCc2cnns2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086878330 839962521 /nfs/dbraw/zinc/96/25/21/839962521.db2.gz KCAFPUDSIKCKOM-UMNHJUIQSA-N 0 3 359.477 -0.396 20 0 FBADHN Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086878346 839962763 /nfs/dbraw/zinc/96/27/63/839962763.db2.gz KOHIPWHJHBTQNE-XQQFMLRXSA-N 0 3 355.464 -0.514 20 0 FBADHN Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086878347 839963077 /nfs/dbraw/zinc/96/30/77/839963077.db2.gz KOHIPWHJHBTQNE-YNEHKIRRSA-N 0 3 355.464 -0.514 20 0 FBADHN Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)n1 ZINC001086878438 839963315 /nfs/dbraw/zinc/96/33/15/839963315.db2.gz OIXYWMQTBZKJQR-OUCADQQQSA-N 0 3 355.464 -0.514 20 0 FBADHN Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n1 ZINC001086878439 839963184 /nfs/dbraw/zinc/96/31/84/839963184.db2.gz OIXYWMQTBZKJQR-SCRDCRAPSA-N 0 3 355.464 -0.514 20 0 FBADHN CCn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086878510 839963432 /nfs/dbraw/zinc/96/34/32/839963432.db2.gz RERFMSKOPSWXOM-BFHYXJOUSA-N 0 3 369.491 -0.031 20 0 FBADHN CCn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086878511 839963400 /nfs/dbraw/zinc/96/34/00/839963400.db2.gz RERFMSKOPSWXOM-MJBXVCDLSA-N 0 3 369.491 -0.031 20 0 FBADHN Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001086878589 839962710 /nfs/dbraw/zinc/96/27/10/839962710.db2.gz VKOMNLOLQFOPAB-GUTXKFCHSA-N 0 3 367.475 -0.149 20 0 FBADHN Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)C2)cn1 ZINC001086878590 839962671 /nfs/dbraw/zinc/96/26/71/839962671.db2.gz VKOMNLOLQFOPAB-GZBFAFLISA-N 0 3 367.475 -0.149 20 0 FBADHN Cn1nncc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001086879450 839964660 /nfs/dbraw/zinc/96/46/60/839964660.db2.gz KVAVOIWNYFSGFR-OUCADQQQSA-N 0 3 355.464 -0.233 20 0 FBADHN Cn1nncc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001086879451 839964984 /nfs/dbraw/zinc/96/49/84/839964984.db2.gz KVAVOIWNYFSGFR-SCRDCRAPSA-N 0 3 355.464 -0.233 20 0 FBADHN CCN1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnn(C)n3)C2)C1 ZINC001086880407 839964456 /nfs/dbraw/zinc/96/44/56/839964456.db2.gz YFBAAOAPWZAPQI-LZWOXQAQSA-N 0 3 350.467 -0.090 20 0 FBADHN CCN1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnn(C)n3)C2)C1 ZINC001086880408 839964309 /nfs/dbraw/zinc/96/43/09/839964309.db2.gz YFBAAOAPWZAPQI-SQWLQELKSA-N 0 3 350.467 -0.090 20 0 FBADHN 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/nfs/dbraw/zinc/36/72/67/836367267.db2.gz UAGBPLDLGHOYRF-PMPSAXMXSA-N 0 3 352.479 -0.424 20 0 FBADHN CC[C@H](F)CN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 ZINC001088212309 836364919 /nfs/dbraw/zinc/36/49/19/836364919.db2.gz BEZFQNREXVNXNS-AGIUHOORSA-N 0 3 352.414 -0.095 20 0 FBADHN CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 ZINC001088212310 836365040 /nfs/dbraw/zinc/36/50/40/836365040.db2.gz BEZFQNREXVNXNS-FRRDWIJNSA-N 0 3 352.414 -0.095 20 0 FBADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001088348041 836405754 /nfs/dbraw/zinc/40/57/54/836405754.db2.gz JUHMDZRKDFWSNH-MCIONIFRSA-N 0 3 354.451 -0.354 20 0 FBADHN NC(=O)CN[C@H]1CCCCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001088348042 836405643 /nfs/dbraw/zinc/40/56/43/836405643.db2.gz JUHMDZRKDFWSNH-MJBXVCDLSA-N 0 3 354.451 -0.354 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)O1 ZINC001088382021 836410497 /nfs/dbraw/zinc/41/04/97/836410497.db2.gz RYZRJRSPLZWFAL-HZSPNIEDSA-N 0 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ZINC001088493369 836423956 /nfs/dbraw/zinc/42/39/56/836423956.db2.gz IYNJQFHTVZOUHK-HZSPNIEDSA-N 0 3 351.451 -0.399 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1CCCN1C(=O)CNC1=O ZINC001088493370 836424270 /nfs/dbraw/zinc/42/42/70/836424270.db2.gz IYNJQFHTVZOUHK-RDBSUJKOSA-N 0 3 351.451 -0.399 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1CCN1CCCS1(=O)=O ZINC001088494618 836423741 /nfs/dbraw/zinc/42/37/41/836423741.db2.gz HZGBPEVZZYVFCI-ILXRZTDVSA-N 0 3 358.508 -0.305 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1CCN1CCCS1(=O)=O ZINC001088494619 836424323 /nfs/dbraw/zinc/42/43/23/836424323.db2.gz HZGBPEVZZYVFCI-QLFBSQMISA-N 0 3 358.508 -0.305 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CCN1CCCN1C(=O)CNC1=O ZINC001088501897 836425510 /nfs/dbraw/zinc/42/55/10/836425510.db2.gz MVLUJWBEDHSNSD-MCIONIFRSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CCN1CCCN1C(=O)CNC1=O ZINC001088501898 836425658 /nfs/dbraw/zinc/42/56/58/836425658.db2.gz MVLUJWBEDHSNSD-RDBSUJKOSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001088502604 836425670 /nfs/dbraw/zinc/42/56/70/836425670.db2.gz QPHHEKIQMJLNHS-IPYPFGDCSA-N 0 3 369.491 -0.187 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001088502605 836425164 /nfs/dbraw/zinc/42/51/64/836425164.db2.gz QPHHEKIQMJLNHS-NFAWXSAZSA-N 0 3 369.491 -0.187 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1CCCN1CCCC1=O ZINC001088506604 836427826 /nfs/dbraw/zinc/42/78/26/836427826.db2.gz CEGYSMKFRUULJK-OWCLPIDISA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1CCCN1CCCC1=O ZINC001088506605 836428072 /nfs/dbraw/zinc/42/80/72/836428072.db2.gz CEGYSMKFRUULJK-PMPSAXMXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001088522292 836429968 /nfs/dbraw/zinc/42/99/68/836429968.db2.gz HJGAIXKZPNGVCT-MCIONIFRSA-N 0 3 369.491 -0.106 20 0 FBADHN 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/nfs/dbraw/zinc/43/27/84/836432784.db2.gz GMFSJUQURHWRBJ-PMPSAXMXSA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CCN1CCCN1CCCC1=O ZINC001088533866 836432975 /nfs/dbraw/zinc/43/29/75/836432975.db2.gz NWMDXYILVSDMTC-OLZOCXBDSA-N 0 3 350.423 -0.425 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1CCCN1C(=O)CNC1=O ZINC001088536970 836432521 /nfs/dbraw/zinc/43/25/21/836432521.db2.gz WWTHBPVRUKWHIX-OCCSQVGLSA-N 0 3 350.419 -0.146 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1C[C@H](O)CN1CCCC1=O ZINC001088537530 836432402 /nfs/dbraw/zinc/43/24/02/836432402.db2.gz BUKMHPIBHRPNQE-KBMXLJTQSA-N 0 3 351.447 -0.105 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C[C@H](O)Cn1cccn1 ZINC001088540546 836434411 /nfs/dbraw/zinc/43/44/11/836434411.db2.gz GTUSKMRPDZCWDB-ILXRZTDVSA-N 0 3 352.435 -0.024 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C[C@@H](O)Cn1cccn1 ZINC001088540547 836433484 /nfs/dbraw/zinc/43/34/84/836433484.db2.gz GTUSKMRPDZCWDB-KFWWJZLASA-N 0 3 352.435 -0.024 20 0 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ZINC001088579111 836459676 /nfs/dbraw/zinc/45/96/76/836459676.db2.gz OFKJDOCHILGICU-YPMHNXCESA-N 0 3 350.423 -0.475 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN1CCCN1C(=O)CNC1=O ZINC001088581455 836459424 /nfs/dbraw/zinc/45/94/24/836459424.db2.gz SIVVACPOKROCHR-XREXNNHRSA-N 0 3 350.419 -0.456 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001088593524 836464118 /nfs/dbraw/zinc/46/41/18/836464118.db2.gz LXCBCXFRIDFFPU-MCIONIFRSA-N 0 3 370.479 -0.861 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001088593525 836464096 /nfs/dbraw/zinc/46/40/96/836464096.db2.gz LXCBCXFRIDFFPU-RDBSUJKOSA-N 0 3 370.479 -0.861 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCN1CCc1cnn(C)c1 ZINC001088606184 836468392 /nfs/dbraw/zinc/46/83/92/836468392.db2.gz DTDLJMDNNJDNFV-HIFRSBDPSA-N 0 3 369.491 -0.423 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCN1CCc1ccnn1C ZINC001088606454 836469222 /nfs/dbraw/zinc/46/92/22/836469222.db2.gz 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836917553 /nfs/dbraw/zinc/91/75/53/836917553.db2.gz VQGGLBDPBYUJFM-CXTNEJHOSA-N 0 3 352.435 -0.068 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001088884970 836923490 /nfs/dbraw/zinc/92/34/90/836923490.db2.gz VMLMWIJSHDVCHJ-IPYPFGDCSA-N 0 3 369.491 -0.187 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001088884971 836922657 /nfs/dbraw/zinc/92/26/57/836922657.db2.gz VMLMWIJSHDVCHJ-NFAWXSAZSA-N 0 3 369.491 -0.187 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2cnc[nH]2)CCN1CCN1CCCS1(=O)=O ZINC001088885295 836922744 /nfs/dbraw/zinc/92/27/44/836922744.db2.gz OYJRBSUVUWIZPP-OCCSQVGLSA-N 0 3 355.464 -0.433 20 0 FBADHN CO[C@H](C)CN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC001088912788 836926392 /nfs/dbraw/zinc/92/63/92/836926392.db2.gz RHIIOEMSZANZBH-MCIONIFRSA-N 0 3 352.439 -0.207 20 0 FBADHN CO[C@@H](C)CN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC001088912789 836926704 /nfs/dbraw/zinc/92/67/04/836926704.db2.gz RHIIOEMSZANZBH-MJBXVCDLSA-N 0 3 352.439 -0.207 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001088941500 836930426 /nfs/dbraw/zinc/93/04/26/836930426.db2.gz DBKGFIGDCGRCLO-MCIONIFRSA-N 0 3 369.491 -0.187 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001088941501 836930069 /nfs/dbraw/zinc/93/00/69/836930069.db2.gz DBKGFIGDCGRCLO-RDBSUJKOSA-N 0 3 369.491 -0.187 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CCN1CCCN1C(=O)CNC1=O ZINC001088942325 836930605 /nfs/dbraw/zinc/93/06/05/836930605.db2.gz PSFHBJVXEWIPJD-IGCXYCKISA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CCN1CCCN1C(=O)CNC1=O ZINC001088942326 836930961 /nfs/dbraw/zinc/93/09/61/836930961.db2.gz PSFHBJVXEWIPJD-IIYDPXPESA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001088969886 836933574 /nfs/dbraw/zinc/93/35/74/836933574.db2.gz UOCNIUYNIRCGLD-AGIUHOORSA-N 0 3 370.479 -0.792 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001088969887 836933151 /nfs/dbraw/zinc/93/31/51/836933151.db2.gz UOCNIUYNIRCGLD-UPJWGTAASA-N 0 3 370.479 -0.792 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCN1CC1CCS(=O)(=O)CC1 ZINC001088969912 836934878 /nfs/dbraw/zinc/93/48/78/836934878.db2.gz VSXVNMIXYWJYNT-YPMHNXCESA-N 0 3 355.464 -0.249 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001089025329 836939540 /nfs/dbraw/zinc/93/95/40/836939540.db2.gz ASDRXQZMZPEGJU-MCIONIFRSA-N 0 3 370.479 -0.861 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001089025330 836939170 /nfs/dbraw/zinc/93/91/70/836939170.db2.gz ASDRXQZMZPEGJU-RDBSUJKOSA-N 0 3 370.479 -0.861 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1C[C@@H]1CC(C)(C)CO1 ZINC001089026456 836940403 /nfs/dbraw/zinc/94/04/03/836940403.db2.gz KOOPMVSZZHZKCU-AGIUHOORSA-N 0 3 352.435 -0.068 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1C[C@H]1CC(C)(C)CO1 ZINC001089026457 836940982 /nfs/dbraw/zinc/94/09/82/836940982.db2.gz KOOPMVSZZHZKCU-UPJWGTAASA-N 0 3 352.435 -0.068 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1C[C@H](O)CN1CCCC1=O ZINC001089038115 836942730 /nfs/dbraw/zinc/94/27/30/836942730.db2.gz DUCWEMJVKNVWCZ-PMPSAXMXSA-N 0 3 352.479 -0.356 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1CCCN1C(=O)CNC1=O ZINC001089038306 836942493 /nfs/dbraw/zinc/94/24/93/836942493.db2.gz NZKBNAJJWAYWKC-KGLIPLIRSA-N 0 3 351.451 -0.397 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1CCN1CCCS1(=O)=O ZINC001089038395 836941759 /nfs/dbraw/zinc/94/17/59/836941759.db2.gz SZZLHRLKEYGEKU-CABCVRRESA-N 0 3 358.508 -0.303 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1Cc1ccn(C)c(=O)c1 ZINC001089046015 836945484 /nfs/dbraw/zinc/94/54/84/836945484.db2.gz QNNGXSVXTQPIME-KWCYVHTRSA-N 0 3 368.459 -0.844 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1Cc1ccn(C)c(=O)c1 ZINC001089046016 836944648 /nfs/dbraw/zinc/94/46/48/836944648.db2.gz QNNGXSVXTQPIME-XBFCOCLRSA-N 0 3 368.459 -0.844 20 0 FBADHN CCn1cc(CCN2CC[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C)cn1 ZINC001089046042 836945356 /nfs/dbraw/zinc/94/53/56/836945356.db2.gz RPTVOHROVVNLQX-SNPRPXQTSA-N 0 3 369.491 -0.284 20 0 FBADHN CCn1cc(CCN2CC[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C)cn1 ZINC001089046043 836944477 /nfs/dbraw/zinc/94/44/77/836944477.db2.gz RPTVOHROVVNLQX-VHDGCEQUSA-N 0 3 369.491 -0.284 20 0 FBADHN Cc1cc(C)n(CCN2CC[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C)n1 ZINC001089046074 836945594 /nfs/dbraw/zinc/94/55/94/836945594.db2.gz SOSBWUQGOQDTMO-ILXRZTDVSA-N 0 3 369.491 -0.229 20 0 FBADHN Cc1cc(C)n(CCN2CC[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C)n1 ZINC001089046075 836945304 /nfs/dbraw/zinc/94/53/04/836945304.db2.gz SOSBWUQGOQDTMO-QLFBSQMISA-N 0 3 369.491 -0.229 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1CCc1ccnn1C ZINC001089046120 836945276 /nfs/dbraw/zinc/94/52/76/836945276.db2.gz VAIJPSGFTYMXPD-KWCYVHTRSA-N 0 3 355.464 -0.767 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1CCc1ccnn1C ZINC001089046121 836944434 /nfs/dbraw/zinc/94/44/34/836944434.db2.gz VAIJPSGFTYMXPD-XBFCOCLRSA-N 0 3 355.464 -0.767 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1Cc1ccc(CO)cc1 ZINC001089046139 836944587 /nfs/dbraw/zinc/94/45/87/836944587.db2.gz VSHHNLAKCIXZNS-KCXAZCMYSA-N 0 3 367.471 -0.050 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1Cc1ccc(CO)cc1 ZINC001089046140 836945199 /nfs/dbraw/zinc/94/51/99/836945199.db2.gz VSHHNLAKCIXZNS-UHOFOFEASA-N 0 3 367.471 -0.050 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1CCc1cnn(C)c1 ZINC001089046222 836944868 /nfs/dbraw/zinc/94/48/68/836944868.db2.gz ZFPZNIOVHVTKPU-KWCYVHTRSA-N 0 3 355.464 -0.767 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1CCc1cnn(C)c1 ZINC001089046223 836944727 /nfs/dbraw/zinc/94/47/27/836944727.db2.gz ZFPZNIOVHVTKPU-XBFCOCLRSA-N 0 3 355.464 -0.767 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@H]2CCN(CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049964 836946581 /nfs/dbraw/zinc/94/65/81/836946581.db2.gz KOAXQNOCTCAZSO-OWCLPIDISA-N 0 3 352.479 -0.092 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@H]2CCN(CCN3CCCC3=O)[C@@H]2C)C1 ZINC001089049965 836946815 /nfs/dbraw/zinc/94/68/15/836946815.db2.gz KOAXQNOCTCAZSO-PMPSAXMXSA-N 0 3 352.479 -0.092 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@H]2CCN(CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053041 836948134 /nfs/dbraw/zinc/94/81/34/836948134.db2.gz IQVCIGQKRITUQU-ILXRZTDVSA-N 0 3 353.467 -0.689 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@H]2CCN(CCN3CCNC3=O)[C@@H]2C)C1 ZINC001089053042 836948410 /nfs/dbraw/zinc/94/84/10/836948410.db2.gz IQVCIGQKRITUQU-QLFBSQMISA-N 0 3 353.467 -0.689 20 0 FBADHN CO[C@H](C)CN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC001089060235 836949707 /nfs/dbraw/zinc/94/97/07/836949707.db2.gz AJTPUHGNHCSLPR-UPJWGTAASA-N 0 3 352.439 -0.406 20 0 FBADHN CO[C@@H](C)CN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC001089060236 836949065 /nfs/dbraw/zinc/94/90/65/836949065.db2.gz AJTPUHGNHCSLPR-XQQFMLRXSA-N 0 3 352.439 -0.406 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCN1C[C@@H]1CCCCO1 ZINC001089060582 836949459 /nfs/dbraw/zinc/94/94/59/836949459.db2.gz WBNMVUZRERTPEA-AGIUHOORSA-N 0 3 350.423 -0.475 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCN1C[C@H]1CCCCO1 ZINC001089060583 836948818 /nfs/dbraw/zinc/94/88/18/836948818.db2.gz WBNMVUZRERTPEA-UPJWGTAASA-N 0 3 350.423 -0.475 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001089074219 836951044 /nfs/dbraw/zinc/95/10/44/836951044.db2.gz PTEBJMJZTLEGRF-ILXRZTDVSA-N 0 3 369.491 -0.256 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001089074220 836950635 /nfs/dbraw/zinc/95/06/35/836950635.db2.gz PTEBJMJZTLEGRF-KFWWJZLASA-N 0 3 369.491 -0.256 20 0 FBADHN CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CC(=O)N2CCC2)C1 ZINC001089493696 837149093 /nfs/dbraw/zinc/14/90/93/837149093.db2.gz ZSEXBPYFKIOFIX-MCIONIFRSA-N 0 3 350.463 -0.053 20 0 FBADHN CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CC(=O)N2CCC2)C1 ZINC001089493697 837149183 /nfs/dbraw/zinc/14/91/83/837149183.db2.gz ZSEXBPYFKIOFIX-MJBXVCDLSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089941638 837371252 /nfs/dbraw/zinc/37/12/52/837371252.db2.gz KEBLXKNDXRJOPK-QLFBSQMISA-N 0 3 353.463 -0.119 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089941639 837370107 /nfs/dbraw/zinc/37/01/07/837370107.db2.gz KEBLXKNDXRJOPK-RBSFLKMASA-N 0 3 353.463 -0.119 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)O1 ZINC001089944352 837372875 /nfs/dbraw/zinc/37/28/75/837372875.db2.gz BWQPHRJJEJEPND-BZUAXINKSA-N 0 3 355.479 -0.315 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)O1 ZINC001089944353 837372636 /nfs/dbraw/zinc/37/26/36/837372636.db2.gz BWQPHRJJEJEPND-OWCLPIDISA-N 0 3 355.479 -0.315 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001089959634 837417134 /nfs/dbraw/zinc/41/71/34/837417134.db2.gz PROLLYZPMOHOAJ-QLFBSQMISA-N 0 3 353.463 -0.310 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001089959635 837417316 /nfs/dbraw/zinc/41/73/16/837417316.db2.gz PROLLYZPMOHOAJ-SOUVJXGZSA-N 0 3 353.463 -0.310 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089959670 837416882 /nfs/dbraw/zinc/41/68/82/837416882.db2.gz QGSJCCWEDCIQQK-ILXRZTDVSA-N 0 3 353.463 -0.132 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089959671 837417224 /nfs/dbraw/zinc/41/72/24/837417224.db2.gz QGSJCCWEDCIQQK-QLFBSQMISA-N 0 3 353.463 -0.132 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(c2nc(CCOC)ns2)C[C@H]1O ZINC001090426143 839395427 /nfs/dbraw/zinc/39/54/27/839395427.db2.gz IRERQLCKHRFPIT-VXGBXAGGSA-N 0 3 357.480 -0.266 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@H]1O ZINC001090429603 839451386 /nfs/dbraw/zinc/45/13/86/839451386.db2.gz GHKFHMRDARXKRG-VXGBXAGGSA-N 0 3 351.407 -0.729 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(c2ncc(C(=O)OC)cn2)C[C@H]1O ZINC001090430290 839452260 /nfs/dbraw/zinc/45/22/60/839452260.db2.gz PZYBRTGHLMIEGI-CHWSQXEVSA-N 0 3 351.407 -0.729 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@H]1O ZINC001090430464 839452845 /nfs/dbraw/zinc/45/28/45/839452845.db2.gz URNKVBWDSONSEF-CHWSQXEVSA-N 0 3 351.455 -0.746 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(c2cc(C)nc(COC)n2)C[C@H]1O ZINC001090433593 839457795 /nfs/dbraw/zinc/45/77/95/839457795.db2.gz UKUJKDKRIJHMJS-ZIAGYGMSSA-N 0 3 351.451 -0.061 20 0 FBADHN COCc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001090439232 839470322 /nfs/dbraw/zinc/47/03/22/839470322.db2.gz BIGBDSRMECJNOX-ZIAGYGMSSA-N 0 3 351.451 -0.063 20 0 FBADHN COC(=O)c1cnc(N2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)nc1 ZINC001090439339 839470071 /nfs/dbraw/zinc/47/00/71/839470071.db2.gz FKVBUDUVZUPNCY-CHWSQXEVSA-N 0 3 351.407 -0.731 20 0 FBADHN 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C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cnccn1 ZINC001092438789 840031827 /nfs/dbraw/zinc/03/18/27/840031827.db2.gz GDEPAKFILFBMGE-ZIAGYGMSSA-N 0 3 367.475 -0.190 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001092444944 840032517 /nfs/dbraw/zinc/03/25/17/840032517.db2.gz ZJBRSVAGRWWTNK-ZIAGYGMSSA-N 0 3 353.419 -0.583 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001092445302 840032007 /nfs/dbraw/zinc/03/20/07/840032007.db2.gz FANGXTHAXIYWOH-HZSPNIEDSA-N 0 3 358.460 -0.007 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001092445306 840031982 /nfs/dbraw/zinc/03/19/82/840031982.db2.gz FANGXTHAXIYWOH-MGPQQGTHSA-N 0 3 358.460 -0.007 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001092447258 840032279 /nfs/dbraw/zinc/03/22/79/840032279.db2.gz PNNMZURNCHRKRX-FRRDWIJNSA-N 0 3 368.459 -0.085 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001092447259 840032418 /nfs/dbraw/zinc/03/24/18/840032418.db2.gz PNNMZURNCHRKRX-JHJVBQTASA-N 0 3 368.459 -0.085 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001092448907 840031920 /nfs/dbraw/zinc/03/19/20/840031920.db2.gz ITDCFSRLLMUDDE-KFWWJZLASA-N 0 3 359.492 -0.115 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001092448908 840032476 /nfs/dbraw/zinc/03/24/76/840032476.db2.gz ITDCFSRLLMUDDE-RBSFLKMASA-N 0 3 359.492 -0.115 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cnn(C)c1 ZINC001092455164 840033333 /nfs/dbraw/zinc/03/33/33/840033333.db2.gz YGIXGUVUCGBIQG-ZIAGYGMSSA-N 0 3 369.491 -0.247 20 0 FBADHN Cc1nnsc1C(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001092457256 840034080 /nfs/dbraw/zinc/03/40/80/840034080.db2.gz CCTXQNBPOALSKG-FBIMIBRVSA-N 0 3 351.432 -0.051 20 0 FBADHN Cc1nnsc1C(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001092457257 840034181 /nfs/dbraw/zinc/03/41/81/840034181.db2.gz CCTXQNBPOALSKG-IEBDPFPHSA-N 0 3 351.432 -0.051 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1ccn[nH]1 ZINC001092478480 840035478 /nfs/dbraw/zinc/03/54/78/840035478.db2.gz DXBOSOLSXPPTPA-CHWSQXEVSA-N 0 3 355.464 -0.257 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001092482167 840035208 /nfs/dbraw/zinc/03/52/08/840035208.db2.gz ZTICUBCIYZEPKX-TZMCWYRMSA-N 0 3 355.464 -0.257 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001092495245 840037959 /nfs/dbraw/zinc/03/79/59/840037959.db2.gz DXAUDKKEQDZUKK-BZUAXINKSA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001092495246 840038311 /nfs/dbraw/zinc/03/83/11/840038311.db2.gz DXAUDKKEQDZUKK-OWCLPIDISA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001092496171 840039104 /nfs/dbraw/zinc/03/91/04/840039104.db2.gz WGGYSUHAFWXXRP-QLFBSQMISA-N 0 3 359.492 -0.258 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001092496216 840039203 /nfs/dbraw/zinc/03/92/03/840039203.db2.gz WGGYSUHAFWXXRP-RBSFLKMASA-N 0 3 359.492 -0.258 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1ccnn1C ZINC001092499020 840037013 /nfs/dbraw/zinc/03/70/13/840037013.db2.gz HWTLVGCHAVPLGB-ZIAGYGMSSA-N 0 3 369.491 -0.247 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001092507837 840037383 /nfs/dbraw/zinc/03/73/83/840037383.db2.gz MANAZKONTALBAV-BPLDGKMQSA-N 0 3 371.503 -0.226 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001092507989 840036323 /nfs/dbraw/zinc/03/63/23/840036323.db2.gz OMKLELRAVIHWSM-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1nccnc1N ZINC001092514453 840036492 /nfs/dbraw/zinc/03/64/92/840036492.db2.gz LKFCEFBFUIGHJW-FRRDWIJNSA-N 0 3 367.475 -0.209 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1nccnc1N ZINC001092514454 840037077 /nfs/dbraw/zinc/03/70/77/840037077.db2.gz LKFCEFBFUIGHJW-JHJVBQTASA-N 0 3 367.475 -0.209 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001092521799 840038660 /nfs/dbraw/zinc/03/86/60/840038660.db2.gz DVFLXJHQIVTUAS-BZUAXINKSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001092521800 840038866 /nfs/dbraw/zinc/03/88/66/840038866.db2.gz DVFLXJHQIVTUAS-OAGGEKHMSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001092522003 840038134 /nfs/dbraw/zinc/03/81/34/840038134.db2.gz IQXJXUWVSZDZDB-FMKPAKJESA-N 0 3 352.479 -0.378 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001092522004 840038051 /nfs/dbraw/zinc/03/80/51/840038051.db2.gz IQXJXUWVSZDZDB-IIAWOOMASA-N 0 3 352.479 -0.378 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001092536861 840040475 /nfs/dbraw/zinc/04/04/75/840040475.db2.gz OHGQMALJHDOENH-QLFBSQMISA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001092536862 840040525 /nfs/dbraw/zinc/04/05/25/840040525.db2.gz OHGQMALJHDOENH-RBSFLKMASA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001092537127 840040113 /nfs/dbraw/zinc/04/01/13/840040113.db2.gz VUDKWNMGLMXTEE-HZSPNIEDSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001092537128 840040290 /nfs/dbraw/zinc/04/02/90/840040290.db2.gz VUDKWNMGLMXTEE-MGPQQGTHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cn(C)cn1 ZINC001092545139 840038345 /nfs/dbraw/zinc/03/83/45/840038345.db2.gz JJTUFQFKCFNVRM-ZIAGYGMSSA-N 0 3 369.491 -0.247 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001092554308 840038562 /nfs/dbraw/zinc/03/85/62/840038562.db2.gz DPLYLKCCMVEFFN-FMKPAKJESA-N 0 3 352.479 -0.378 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001092554311 840038985 /nfs/dbraw/zinc/03/89/85/840038985.db2.gz DPLYLKCCMVEFFN-IIAWOOMASA-N 0 3 352.479 -0.378 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001092555955 840040489 /nfs/dbraw/zinc/04/04/89/840040489.db2.gz WDVUMZDWHFFBCT-BZUAXINKSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001092555956 840040196 /nfs/dbraw/zinc/04/01/96/840040196.db2.gz WDVUMZDWHFFBCT-OAGGEKHMSA-N 0 3 352.479 -0.377 20 0 FBADHN COc1cc(C(=O)NC[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]2C)on1 ZINC001092556486 840039866 /nfs/dbraw/zinc/03/98/66/840039866.db2.gz FGHLBDPEKXDTCC-GMTAPVOTSA-N 0 3 350.375 -0.214 20 0 FBADHN COc1cc(C(=O)NC[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]2C)on1 ZINC001092556487 840039514 /nfs/dbraw/zinc/03/95/14/840039514.db2.gz FGHLBDPEKXDTCC-MXWKQRLJSA-N 0 3 350.375 -0.214 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnn(C)c1N ZINC001092557816 840039802 /nfs/dbraw/zinc/03/98/02/840039802.db2.gz FMUBHVJOEYACSV-FRRDWIJNSA-N 0 3 369.491 -0.265 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnn(C)c1N ZINC001092557820 840040444 /nfs/dbraw/zinc/04/04/44/840040444.db2.gz FMUBHVJOEYACSV-JHJVBQTASA-N 0 3 369.491 -0.265 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cncnc1 ZINC001092560641 840040227 /nfs/dbraw/zinc/04/02/27/840040227.db2.gz HXVKYWVHUDJPSV-UKRRQHHQSA-N 0 3 367.475 -0.190 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C1=CCOCC1 ZINC001092562711 840039697 /nfs/dbraw/zinc/03/96/97/840039697.db2.gz VCXCMCABFOWJEG-GDBMZVCRSA-N 0 3 351.447 -0.124 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001092566661 840040168 /nfs/dbraw/zinc/04/01/68/840040168.db2.gz ZFVKTMLTEKPHSM-VXGBXAGGSA-N 0 3 350.419 -0.103 20 0 FBADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001092568248 840040661 /nfs/dbraw/zinc/04/06/61/840040661.db2.gz QAPWZRQDCUYCCQ-TZMCWYRMSA-N 0 3 350.463 -0.230 20 0 FBADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001092568359 840040550 /nfs/dbraw/zinc/04/05/50/840040550.db2.gz WBOPUWWDMXVCRY-UKRRQHHQSA-N 0 3 350.463 -0.229 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)C3CN(C(C)=O)C3)[C@H](C)C2)C1=O ZINC001092571708 840042102 /nfs/dbraw/zinc/04/21/02/840042102.db2.gz NDAUGHPTRPJRTJ-XNRPHZJLSA-N 0 3 350.463 -0.230 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)C3CN(C(C)=O)C3)[C@H](C)C2)C1=O ZINC001092571709 840041376 /nfs/dbraw/zinc/04/13/76/840041376.db2.gz NDAUGHPTRPJRTJ-XPKDYRNWSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001092571868 840042152 /nfs/dbraw/zinc/04/21/52/840042152.db2.gz RYSPCOHASLKLTB-CHWSQXEVSA-N 0 3 350.419 -0.102 20 0 FBADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@H]2C)C1 ZINC001092571969 840041658 /nfs/dbraw/zinc/04/16/58/840041658.db2.gz XAFKPXHKKYKIAK-BPLDGKMQSA-N 0 3 371.503 -0.417 20 0 FBADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C)C1 ZINC001092571970 840041578 /nfs/dbraw/zinc/04/15/78/840041578.db2.gz XAFKPXHKKYKIAK-VHDGCEQUSA-N 0 3 371.503 -0.417 20 0 FBADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC3CC3)C[C@H]2C)C1 ZINC001092571974 840041602 /nfs/dbraw/zinc/04/16/02/840041602.db2.gz XEGPAPWJBOATIZ-MBNYWOFBSA-N 0 3 350.463 -0.184 20 0 FBADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN([C@H](C)C(=O)NC3CC3)C[C@H]2C)C1 ZINC001092571975 840041683 /nfs/dbraw/zinc/04/16/83/840041683.db2.gz XEGPAPWJBOATIZ-YRGRVCCFSA-N 0 3 350.463 -0.184 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001092572550 840041957 /nfs/dbraw/zinc/04/19/57/840041957.db2.gz AKAJKSMEJZKGOY-GMTAPVOTSA-N 0 3 350.375 -0.919 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001092572551 840041592 /nfs/dbraw/zinc/04/15/92/840041592.db2.gz AKAJKSMEJZKGOY-MXWKQRLJSA-N 0 3 350.375 -0.919 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)c2cc(=O)n(C)o2)[C@H](C)C1 ZINC001092572612 840041629 /nfs/dbraw/zinc/04/16/29/840041629.db2.gz CAOQOQILGRUOKS-GRYCIOLGSA-N 0 3 350.419 -0.057 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)c2cc(=O)n(C)o2)[C@H](C)C1 ZINC001092572614 840041987 /nfs/dbraw/zinc/04/19/87/840041987.db2.gz CAOQOQILGRUOKS-IJLUTSLNSA-N 0 3 350.419 -0.057 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)c3cc(=O)n(C)o3)[C@H](C)C2)C1=O ZINC001092573240 840042026 /nfs/dbraw/zinc/04/20/26/840042026.db2.gz NTUGAANOBJMHFX-JHJVBQTASA-N 0 3 350.419 -0.103 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)c3cc(=O)n(C)o3)[C@H](C)C2)C1=O ZINC001092573241 840041794 /nfs/dbraw/zinc/04/17/94/840041794.db2.gz NTUGAANOBJMHFX-UPJWGTAASA-N 0 3 350.419 -0.103 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001092573244 840041564 /nfs/dbraw/zinc/04/15/64/840041564.db2.gz NVIPAIOTNCHBAB-FRRDWIJNSA-N 0 3 371.459 -0.289 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001092573245 840041156 /nfs/dbraw/zinc/04/11/56/840041156.db2.gz NVIPAIOTNCHBAB-JHJVBQTASA-N 0 3 371.459 -0.289 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001092580285 840042978 /nfs/dbraw/zinc/04/29/78/840042978.db2.gz HVZHZOXTLWGCOH-MCIONIFRSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001092580286 840042802 /nfs/dbraw/zinc/04/28/02/840042802.db2.gz HVZHZOXTLWGCOH-MGPQQGTHSA-N 0 3 352.435 -0.209 20 0 FBADHN C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnnn1C ZINC001092581975 840043214 /nfs/dbraw/zinc/04/32/14/840043214.db2.gz DKKKUYBYJIHMTP-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnnn1C ZINC001092581976 840042994 /nfs/dbraw/zinc/04/29/94/840042994.db2.gz DKKKUYBYJIHMTP-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)c1cnnn1C ZINC001092581978 840042676 /nfs/dbraw/zinc/04/26/76/840042676.db2.gz DLBUGGGAMNWQHF-TZMCWYRMSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cnnn1C ZINC001092582196 840043622 /nfs/dbraw/zinc/04/36/22/840043622.db2.gz KELKNLKRADWYPY-CHWSQXEVSA-N 0 3 370.479 -0.852 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnnn1C ZINC001092582483 840043073 /nfs/dbraw/zinc/04/30/73/840043073.db2.gz OXDWHHYEJQDJTI-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnnn1C ZINC001092582484 840042820 /nfs/dbraw/zinc/04/28/20/840042820.db2.gz OXDWHHYEJQDJTI-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnnn1C ZINC001092582496 840042743 /nfs/dbraw/zinc/04/27/43/840042743.db2.gz PFDYHFUWHXJZKD-FRRDWIJNSA-N 0 3 355.464 -0.453 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cnnn1C ZINC001092582499 840043293 /nfs/dbraw/zinc/04/32/93/840043293.db2.gz PFDYHFUWHXJZKD-JHJVBQTASA-N 0 3 355.464 -0.453 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC001092587502 840040021 /nfs/dbraw/zinc/04/00/21/840040021.db2.gz FAKMWDUELRAEQW-CHWSQXEVSA-N 0 3 370.479 -0.852 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC001092587707 840039568 /nfs/dbraw/zinc/03/95/68/840039568.db2.gz NGGLJQNIKPRFMG-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC001092587708 840039731 /nfs/dbraw/zinc/03/97/31/840039731.db2.gz NGGLJQNIKPRFMG-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC001092587770 840039836 /nfs/dbraw/zinc/03/98/36/840039836.db2.gz PDUOUUYRQPQEGL-TZMCWYRMSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001092588361 840039612 /nfs/dbraw/zinc/03/96/12/840039612.db2.gz ABKQYFCDYDKAAH-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001092588362 840040420 /nfs/dbraw/zinc/04/04/20/840040420.db2.gz ABKQYFCDYDKAAH-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001092588668 840039440 /nfs/dbraw/zinc/03/94/40/840039440.db2.gz IOCYJYJHAHRDKP-CHWSQXEVSA-N 0 3 370.479 -0.852 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001092589559 840039768 /nfs/dbraw/zinc/03/97/68/840039768.db2.gz WKZSNYXILZCKTR-TZMCWYRMSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001092597580 840041929 /nfs/dbraw/zinc/04/19/29/840041929.db2.gz NSNRGQMABLWMAR-CHWSQXEVSA-N 0 3 355.464 -0.257 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2cn(CCOC)nn2)[C@H](C)C1 ZINC001092602726 840041008 /nfs/dbraw/zinc/04/10/08/840041008.db2.gz LVXAKLJLDYRSHY-FRRDWIJNSA-N 0 3 352.439 -0.643 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2cn(CCOC)nn2)[C@H](C)C1 ZINC001092602727 840041610 /nfs/dbraw/zinc/04/16/10/840041610.db2.gz LVXAKLJLDYRSHY-JHJVBQTASA-N 0 3 352.439 -0.643 20 0 FBADHN COCCn1cc(C(=O)NC[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2C)nn1 ZINC001092602762 840041724 /nfs/dbraw/zinc/04/17/24/840041724.db2.gz NKKDMWVGHNEBNQ-BZPMIXESSA-N 0 3 350.423 -0.889 20 0 FBADHN COCCn1cc(C(=O)NC[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2C)nn1 ZINC001092602763 840042063 /nfs/dbraw/zinc/04/20/63/840042063.db2.gz NKKDMWVGHNEBNQ-YRGRVCCFSA-N 0 3 350.423 -0.889 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2cn(CCOC)nn2)[C@H](C)C1 ZINC001092603279 840042206 /nfs/dbraw/zinc/04/22/06/840042206.db2.gz XBMQRNNBEJHSRH-BZPMIXESSA-N 0 3 352.439 -0.514 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2cn(CCOC)nn2)[C@H](C)C1 ZINC001092603280 840041895 /nfs/dbraw/zinc/04/18/95/840041895.db2.gz XBMQRNNBEJHSRH-YRGRVCCFSA-N 0 3 352.439 -0.514 20 0 FBADHN COCCn1cc(C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)nn1 ZINC001092603305 840041189 /nfs/dbraw/zinc/04/11/89/840041189.db2.gz XXYIZXZDWSLOFM-CHWSQXEVSA-N 0 3 352.439 -0.690 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001092615298 840044581 /nfs/dbraw/zinc/04/45/81/840044581.db2.gz DEQTUBRKDNHSPV-KBUPBQIOSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)CC[N@H+]1C ZINC001092620325 840046467 /nfs/dbraw/zinc/04/64/67/840046467.db2.gz BOLYDLXERDVSIQ-AAVRWANBSA-N 0 3 350.467 -0.367 20 0 FBADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)CC[N@@H+]1C ZINC001092620325 840046459 /nfs/dbraw/zinc/04/64/59/840046459.db2.gz BOLYDLXERDVSIQ-AAVRWANBSA-N 0 3 350.467 -0.367 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001092624466 840046367 /nfs/dbraw/zinc/04/63/67/840046367.db2.gz TUZGFOBECYDLRA-AIANPOQGSA-N 0 3 371.503 -0.258 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001092624538 840045519 /nfs/dbraw/zinc/04/55/19/840045519.db2.gz WUNHGARRMPPONH-BSXFFOKHSA-N 0 3 351.447 -0.434 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001092626989 840046121 /nfs/dbraw/zinc/04/61/21/840046121.db2.gz GLGFWTIVYRWULT-GRYCIOLGSA-N 0 3 351.455 -0.140 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001092626990 840045776 /nfs/dbraw/zinc/04/57/76/840045776.db2.gz GLGFWTIVYRWULT-IJLUTSLNSA-N 0 3 351.455 -0.140 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001092627986 840045668 /nfs/dbraw/zinc/04/56/68/840045668.db2.gz ZMUDFIPBGNQITK-IJLUTSLNSA-N 0 3 351.455 -0.010 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001092627987 840046309 /nfs/dbraw/zinc/04/63/09/840046309.db2.gz ZMUDFIPBGNQITK-UTUOFQBUSA-N 0 3 351.455 -0.010 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001092654644 840045442 /nfs/dbraw/zinc/04/54/42/840045442.db2.gz BFKNQXYUPFYRJM-HZSPNIEDSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001092654645 840046216 /nfs/dbraw/zinc/04/62/16/840046216.db2.gz BFKNQXYUPFYRJM-MGPQQGTHSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001092654658 840045498 /nfs/dbraw/zinc/04/54/98/840045498.db2.gz BZDWYEPCBYQHBR-QLFBSQMISA-N 0 3 350.463 -0.229 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001092654659 840046190 /nfs/dbraw/zinc/04/61/90/840046190.db2.gz BZDWYEPCBYQHBR-RBSFLKMASA-N 0 3 350.463 -0.229 20 0 FBADHN CCN1C[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)CC1=O ZINC001092654960 840046328 /nfs/dbraw/zinc/04/63/28/840046328.db2.gz IZXQXHXJVSKRNJ-QLFBSQMISA-N 0 3 350.463 -0.229 20 0 FBADHN CCN1C[C@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)CC1=O ZINC001092654961 840045994 /nfs/dbraw/zinc/04/59/94/840045994.db2.gz IZXQXHXJVSKRNJ-RBSFLKMASA-N 0 3 350.463 -0.229 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001092699082 840048381 /nfs/dbraw/zinc/04/83/81/840048381.db2.gz BSPFWNBQFLLFJF-NFAWXSAZSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001092699083 840047936 /nfs/dbraw/zinc/04/79/36/840047936.db2.gz BSPFWNBQFLLFJF-UMVBOHGHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001092699872 840047786 /nfs/dbraw/zinc/04/77/86/840047786.db2.gz VBPKCNOPPBKDBV-KFWWJZLASA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001092699873 840048623 /nfs/dbraw/zinc/04/86/23/840048623.db2.gz VBPKCNOPPBKDBV-RBSFLKMASA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001092702760 840048079 /nfs/dbraw/zinc/04/80/79/840048079.db2.gz PUPNRKQMARISSQ-MBNYWOFBSA-N 0 3 368.459 -0.085 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001092702761 840048473 /nfs/dbraw/zinc/04/84/73/840048473.db2.gz PUPNRKQMARISSQ-YRGRVCCFSA-N 0 3 368.459 -0.085 20 0 FBADHN COC1CC(C(=O)NC[C@@H]2CN(CC(=O)N3CCOCC3)C[C@H]2C)C1 ZINC001092707143 840048514 /nfs/dbraw/zinc/04/85/14/840048514.db2.gz SADSWTQGXXGAOB-YHNBSYBMSA-N 0 3 353.463 -0.046 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001092707449 840050373 /nfs/dbraw/zinc/05/03/73/840050373.db2.gz IXNXCOYFEIFYDI-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001092707979 840050838 /nfs/dbraw/zinc/05/08/38/840050838.db2.gz QWOGUAMLIMCUHA-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN COCCn1nccc1C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001092712566 840050695 /nfs/dbraw/zinc/05/06/95/840050695.db2.gz WGZNRVFNCBZOAI-ZIAGYGMSSA-N 0 3 351.451 -0.085 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2ccnn2CCOC)[C@H](C)C1 ZINC001092712619 840051085 /nfs/dbraw/zinc/05/10/85/840051085.db2.gz ZWGSVPANPVXMES-HZSPNIEDSA-N 0 3 351.451 -0.038 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2ccnn2CCOC)[C@H](C)C1 ZINC001092712620 840050801 /nfs/dbraw/zinc/05/08/01/840050801.db2.gz ZWGSVPANPVXMES-MGPQQGTHSA-N 0 3 351.451 -0.038 20 0 FBADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC001092723885 840049658 /nfs/dbraw/zinc/04/96/58/840049658.db2.gz CTXZBLXLPMEKQQ-NQBHXWOUSA-N 0 3 357.476 -0.631 20 0 FBADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC001092723886 840050985 /nfs/dbraw/zinc/05/09/85/840050985.db2.gz CTXZBLXLPMEKQQ-NTZNESFSSA-N 0 3 357.476 -0.631 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001092725007 840049089 /nfs/dbraw/zinc/04/90/89/840049089.db2.gz WYMKIVFMLARFOI-TZMCWYRMSA-N 0 3 371.503 -0.417 20 0 FBADHN C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001092725172 840050547 /nfs/dbraw/zinc/05/05/47/840050547.db2.gz ZTQQFDZPHHAIGJ-BNOWGMLFSA-N 0 3 369.487 -0.616 20 0 FBADHN C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001092725173 840049814 /nfs/dbraw/zinc/04/98/14/840049814.db2.gz ZTQQFDZPHHAIGJ-MRVWCRGKSA-N 0 3 369.487 -0.616 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001092725190 840050243 /nfs/dbraw/zinc/05/02/43/840050243.db2.gz AFEUWZFOEBSRJE-KLHDSHLOSA-N 0 3 352.479 -0.378 20 0 FBADHN C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001092725474 840049497 /nfs/dbraw/zinc/04/94/97/840049497.db2.gz MLXZQIWYLHCPJE-KBUPBQIOSA-N 0 3 361.508 -0.566 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC001092725481 840050014 /nfs/dbraw/zinc/05/00/14/840050014.db2.gz MUNPFKVLYDEBTM-MBNYWOFBSA-N 0 3 371.503 -0.370 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC001092725482 840050400 /nfs/dbraw/zinc/05/04/00/840050400.db2.gz MUNPFKVLYDEBTM-YRGRVCCFSA-N 0 3 371.503 -0.370 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001092725593 840049337 /nfs/dbraw/zinc/04/93/37/840049337.db2.gz RIUSMDYWJLCAER-IXYNUQLISA-N 0 3 350.467 -0.282 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC001092725627 840051041 /nfs/dbraw/zinc/05/10/41/840051041.db2.gz TVTIYVNCZFVELD-BNOWGMLFSA-N 0 3 371.503 -0.241 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC001092725628 840048917 /nfs/dbraw/zinc/04/89/17/840048917.db2.gz TVTIYVNCZFVELD-MRVWCRGKSA-N 0 3 371.503 -0.241 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001092725763 840051681 /nfs/dbraw/zinc/05/16/81/840051681.db2.gz ZQOLPYWVHOZDDV-IXYNUQLISA-N 0 3 352.479 -0.332 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001092738629 840049396 /nfs/dbraw/zinc/04/93/96/840049396.db2.gz SGBAEONPTDTGMA-QLFBSQMISA-N 0 3 350.463 -0.229 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001092738631 840049430 /nfs/dbraw/zinc/04/94/30/840049430.db2.gz SGBAEONPTDTGMA-RBSFLKMASA-N 0 3 350.463 -0.229 20 0 FBADHN COCc1nn(C)cc1C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001092744479 840050473 /nfs/dbraw/zinc/05/04/73/840050473.db2.gz GUQDJNVNVFPTSP-CHWSQXEVSA-N 0 3 351.451 -0.048 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2cn(C)nc2COC)[C@H](C)C1 ZINC001092745663 840050665 /nfs/dbraw/zinc/05/06/65/840050665.db2.gz UOKBTAUCQZRKRK-FRRDWIJNSA-N 0 3 351.451 -0.001 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2cn(C)nc2COC)[C@H](C)C1 ZINC001092745667 840050871 /nfs/dbraw/zinc/05/08/71/840050871.db2.gz UOKBTAUCQZRKRK-JHJVBQTASA-N 0 3 351.451 -0.001 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092755149 840051736 /nfs/dbraw/zinc/05/17/36/840051736.db2.gz UWUNJYBGNOQISQ-BZUAXINKSA-N 0 3 352.479 -0.377 20 0 FBADHN CCN1CCOC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092755151 840051944 /nfs/dbraw/zinc/05/19/44/840051944.db2.gz UWUNJYBGNOQISQ-OAGGEKHMSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001092758107 840052335 /nfs/dbraw/zinc/05/23/35/840052335.db2.gz 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C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)c1cncn1C ZINC001092789638 840052527 /nfs/dbraw/zinc/05/25/27/840052527.db2.gz MOUYFJFLLWKVGP-ZIAGYGMSSA-N 0 3 369.491 -0.247 20 0 FBADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnc3sccn3c2=O)[C@H](C)C1 ZINC001092796125 840052433 /nfs/dbraw/zinc/05/24/33/840052433.db2.gz YVNOXZYFSISUGS-GMTAPVOTSA-N 0 3 363.443 -0.073 20 0 FBADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnc3sccn3c2=O)[C@H](C)C1 ZINC001092796130 840051439 /nfs/dbraw/zinc/05/14/39/840051439.db2.gz YVNOXZYFSISUGS-OUAUKWLOSA-N 0 3 363.443 -0.073 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001092800769 840053874 /nfs/dbraw/zinc/05/38/74/840053874.db2.gz GKSNVGDWDKWYCS-HZSPNIEDSA-N 0 3 353.467 -0.451 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001092800771 840053846 /nfs/dbraw/zinc/05/38/46/840053846.db2.gz GKSNVGDWDKWYCS-MGPQQGTHSA-N 0 3 353.467 -0.451 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2ccn(CCOC)n2)[C@H](C)C1 ZINC001092812020 840057455 /nfs/dbraw/zinc/05/74/55/840057455.db2.gz CHVHHQOBOAVJGR-HZSPNIEDSA-N 0 3 351.451 -0.038 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2ccn(CCOC)n2)[C@H](C)C1 ZINC001092812021 840057002 /nfs/dbraw/zinc/05/70/02/840057002.db2.gz CHVHHQOBOAVJGR-MGPQQGTHSA-N 0 3 351.451 -0.038 20 0 FBADHN COCCn1ccc(C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)n1 ZINC001092812426 840057429 /nfs/dbraw/zinc/05/74/29/840057429.db2.gz QGKAQVDEYGCVBA-ZIAGYGMSSA-N 0 3 351.451 -0.085 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001092850935 840059741 /nfs/dbraw/zinc/05/97/41/840059741.db2.gz KEKWSZORSDKWMQ-LFYQSXPISA-N 0 3 353.463 -0.190 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001092855527 840059614 /nfs/dbraw/zinc/05/96/14/840059614.db2.gz NPTWJNLAMVLXMM-QLFBSQMISA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001092855528 840060540 /nfs/dbraw/zinc/06/05/40/840060540.db2.gz NPTWJNLAMVLXMM-RBSFLKMASA-N 0 3 350.463 -0.181 20 0 FBADHN COc1nc(C(=O)NC[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]2C)co1 ZINC001092859234 840059697 /nfs/dbraw/zinc/05/96/97/840059697.db2.gz OORUKPQAQNQLSW-CKYFFXLPSA-N 0 3 350.375 -0.214 20 0 FBADHN COc1nc(C(=O)NC[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]2C)co1 ZINC001092859236 840060011 /nfs/dbraw/zinc/06/00/11/840060011.db2.gz OORUKPQAQNQLSW-FOGDFJRCSA-N 0 3 350.375 -0.214 20 0 FBADHN Cc1nn[nH]c1C(=O)NC[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC001092874485 840058193 /nfs/dbraw/zinc/05/81/93/840058193.db2.gz KLOOXWAMHLIDDU-DGCLKSJQSA-N 0 3 370.479 -0.554 20 0 FBADHN Cc1nn[n-]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001092874755 840058438 /nfs/dbraw/zinc/05/84/38/840058438.db2.gz XZYLMWNZZMGYMS-DGCLKSJQSA-N 0 3 350.423 -0.730 20 0 FBADHN Cc1nn[n-]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001092874755 840058430 /nfs/dbraw/zinc/05/84/30/840058430.db2.gz XZYLMWNZZMGYMS-DGCLKSJQSA-N 0 3 350.423 -0.730 20 0 FBADHN Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001092880064 840058476 /nfs/dbraw/zinc/05/84/76/840058476.db2.gz WOANNOFTNYVNQU-KGYLQXTDSA-N 0 3 355.464 -0.154 20 0 FBADHN Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001092880065 840058768 /nfs/dbraw/zinc/05/87/68/840058768.db2.gz WOANNOFTNYVNQU-RAIGVLPGSA-N 0 3 355.464 -0.154 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001092883698 840059046 /nfs/dbraw/zinc/05/90/46/840059046.db2.gz KWECCTPRILVCRB-BPLDGKMQSA-N 0 3 371.503 -0.369 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001092883699 840058798 /nfs/dbraw/zinc/05/87/98/840058798.db2.gz KWECCTPRILVCRB-YUELXQCFSA-N 0 3 371.503 -0.369 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001092885148 840059099 /nfs/dbraw/zinc/05/90/99/840059099.db2.gz UVJMLJHCBUAIPN-KFWWJZLASA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001092885149 840059141 /nfs/dbraw/zinc/05/91/41/840059141.db2.gz UVJMLJHCBUAIPN-RBSFLKMASA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001092885729 840058584 /nfs/dbraw/zinc/05/85/84/840058584.db2.gz DQTICVJYJBDJKI-BZPMIXESSA-N 0 3 351.451 -0.685 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001092885730 840058961 /nfs/dbraw/zinc/05/89/61/840058961.db2.gz DQTICVJYJBDJKI-YRGRVCCFSA-N 0 3 351.451 -0.685 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001092886456 840060105 /nfs/dbraw/zinc/06/01/05/840060105.db2.gz SXELZORGMRMWLE-MCIONIFRSA-N 0 3 351.451 -0.684 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001092886458 840060082 /nfs/dbraw/zinc/06/00/82/840060082.db2.gz SXELZORGMRMWLE-MGPQQGTHSA-N 0 3 351.451 -0.684 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001092886597 840060669 /nfs/dbraw/zinc/06/06/69/840060669.db2.gz WRKRDQMTEYOKDD-FRRDWIJNSA-N 0 3 370.475 -0.142 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)c1c[nH]c(=O)n1C ZINC001092886598 840060454 /nfs/dbraw/zinc/06/04/54/840060454.db2.gz WRKRDQMTEYOKDD-JHJVBQTASA-N 0 3 370.475 -0.142 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001092887222 840060335 /nfs/dbraw/zinc/06/03/35/840060335.db2.gz JPWXDCQRUNOLJV-KFWWJZLASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001092887946 840059810 /nfs/dbraw/zinc/05/98/10/840059810.db2.gz WZEOEDHEEKRUTH-NFAWXSAZSA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001092889884 840062881 /nfs/dbraw/zinc/06/28/81/840062881.db2.gz OHTBZJDLZTXGDL-NFAWXSAZSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001092889886 840062852 /nfs/dbraw/zinc/06/28/52/840062852.db2.gz OHTBZJDLZTXGDL-UMVBOHGHSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092892525 840063345 /nfs/dbraw/zinc/06/33/45/840063345.db2.gz FJMCTZFWVMQENF-DGCLKSJQSA-N 0 3 370.479 -0.667 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893355 840063654 /nfs/dbraw/zinc/06/36/54/840063654.db2.gz PQFINNBPHFLSLB-FRRDWIJNSA-N 0 3 370.479 -0.667 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893356 840063678 /nfs/dbraw/zinc/06/36/78/840063678.db2.gz PQFINNBPHFLSLB-JHJVBQTASA-N 0 3 370.479 -0.667 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001092893562 840063530 /nfs/dbraw/zinc/06/35/30/840063530.db2.gz SRXKQGDNDXRNAH-ZYHUDNBSSA-N 0 3 365.463 -0.260 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001092897654 840063788 /nfs/dbraw/zinc/06/37/88/840063788.db2.gz MBHLTXOXYDOKQZ-NPCUJANDSA-N 0 3 351.447 -0.578 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001092897659 840063592 /nfs/dbraw/zinc/06/35/92/840063592.db2.gz MJRHFQPIQUPRKZ-KFWWJZLASA-N 0 3 350.463 -0.229 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001092897660 840064347 /nfs/dbraw/zinc/06/43/47/840064347.db2.gz MJRHFQPIQUPRKZ-RBSFLKMASA-N 0 3 350.463 -0.229 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001092898919 840063949 /nfs/dbraw/zinc/06/39/49/840063949.db2.gz JBLBOSIWNNJYHJ-JQOWZUPLSA-N 0 3 356.488 -0.002 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001092898920 840064182 /nfs/dbraw/zinc/06/41/82/840064182.db2.gz JBLBOSIWNNJYHJ-UKRFAEJPSA-N 0 3 356.488 -0.002 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001092899012 840063870 /nfs/dbraw/zinc/06/38/70/840063870.db2.gz KXHPHHYXNMLNAD-SUJAAXHWSA-N 0 3 371.503 -0.402 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001092902078 840063384 /nfs/dbraw/zinc/06/33/84/840063384.db2.gz HDJUQULMYLEKDU-FXPVBKGRSA-N 0 3 352.416 -0.048 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001092902080 840064085 /nfs/dbraw/zinc/06/40/85/840064085.db2.gz HDJUQULMYLEKDU-KKZNHRDASA-N 0 3 352.416 -0.048 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001092903343 840063572 /nfs/dbraw/zinc/06/35/72/840063572.db2.gz JPWXDCQRUNOLJV-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001092903856 840064122 /nfs/dbraw/zinc/06/41/22/840064122.db2.gz WZEOEDHEEKRUTH-UMVBOHGHSA-N 0 3 350.463 -0.088 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910835 840061742 /nfs/dbraw/zinc/06/17/42/840061742.db2.gz KAWFUPORYNALPW-BZUAXINKSA-N 0 3 354.495 -0.132 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910836 840061352 /nfs/dbraw/zinc/06/13/52/840061352.db2.gz KAWFUPORYNALPW-OAGGEKHMSA-N 0 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CC(C)[C@H]1N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093454262 840097946 /nfs/dbraw/zinc/09/79/46/840097946.db2.gz AZORJSWUVBVCMW-DONVGRKQSA-N 0 3 351.447 -0.670 20 0 FBADHN CC(C)[C@@H]1N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093454263 840097788 /nfs/dbraw/zinc/09/77/88/840097788.db2.gz AZORJSWUVBVCMW-RFJMNNOHSA-N 0 3 351.447 -0.670 20 0 FBADHN CC(C)[C@H]1N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093454264 840097977 /nfs/dbraw/zinc/09/79/77/840097977.db2.gz AZORJSWUVBVCMW-UELVZZBOSA-N 0 3 351.447 -0.670 20 0 FBADHN CC(C)[C@@H]1N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093454265 840098613 /nfs/dbraw/zinc/09/86/13/840098613.db2.gz AZORJSWUVBVCMW-WTKWAPFRSA-N 0 3 351.447 -0.670 20 0 FBADHN CC(C)[C@@H]1N(C(=O)c2csnn2)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093455662 840098397 /nfs/dbraw/zinc/09/83/97/840098397.db2.gz POJRVJDVYLQXFI-RNKJKDHYSA-N 0 3 353.448 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CC(C)[C@@H]1N(C(=O)Cc2cnoc2)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093459097 840098102 /nfs/dbraw/zinc/09/81/02/840098102.db2.gz IFYNGPGQHYCGFA-OMNBBPDLSA-N 0 3 350.419 -0.332 20 0 FBADHN CC(C)[C@@H]1N(C(=O)Cc2cnoc2)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093459098 840098518 /nfs/dbraw/zinc/09/85/18/840098518.db2.gz IFYNGPGQHYCGFA-UTJXIGIESA-N 0 3 350.419 -0.332 20 0 FBADHN CC(C)[C@H]1N(C(=O)c2csc(=O)[nH]2)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093459988 840095081 /nfs/dbraw/zinc/09/50/81/840095081.db2.gz ONZZUNSIDZRGEB-NZLORHDLSA-N 0 3 368.459 -0.086 20 0 FBADHN CC(C)[C@@H]1N(C(=O)c2csc(=O)[nH]2)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093459989 840094995 /nfs/dbraw/zinc/09/49/95/840094995.db2.gz ONZZUNSIDZRGEB-QBTOZTBISA-N 0 3 368.459 -0.086 20 0 FBADHN CC(C)[C@H]1N(C(=O)c2csc(=O)[nH]2)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093459990 840095294 /nfs/dbraw/zinc/09/52/94/840095294.db2.gz ONZZUNSIDZRGEB-REEMIGECSA-N 0 3 368.459 -0.086 20 0 FBADHN CC(C)[C@@H]1N(C(=O)c2csc(=O)[nH]2)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093459991 840095087 /nfs/dbraw/zinc/09/50/87/840095087.db2.gz ONZZUNSIDZRGEB-TWDYSMDYSA-N 0 3 368.459 -0.086 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001093460582 840095807 /nfs/dbraw/zinc/09/58/07/840095807.db2.gz UHNQTTVHRJUGSL-JDOCFBBISA-N 0 3 350.423 -0.822 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001093460583 840095136 /nfs/dbraw/zinc/09/51/36/840095136.db2.gz UHNQTTVHRJUGSL-MMYVAXCBSA-N 0 3 350.423 -0.822 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001093460584 840095067 /nfs/dbraw/zinc/09/50/67/840095067.db2.gz UHNQTTVHRJUGSL-TWINXVHLSA-N 0 3 350.423 -0.822 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001093460585 840095390 /nfs/dbraw/zinc/09/53/90/840095390.db2.gz UHNQTTVHRJUGSL-XYJYNPGVSA-N 0 3 350.423 -0.822 20 0 FBADHN Cc1nc(CN[C@@H]2C[C@@]3(CN(C(=O)C(N)=O)[C@H]3C(C)C)C[C@H]2O)n[nH]1 ZINC001093460946 840095125 /nfs/dbraw/zinc/09/51/25/840095125.db2.gz AUOIOSSDUDBHFY-BQNAKDMGSA-N 0 3 350.423 -0.935 20 0 FBADHN Cc1nc(CN[C@@H]2C[C@@]3(CN(C(=O)C(N)=O)[C@@H]3C(C)C)C[C@H]2O)n[nH]1 ZINC001093460947 840095602 /nfs/dbraw/zinc/09/56/02/840095602.db2.gz AUOIOSSDUDBHFY-MSIPSHCFSA-N 0 3 350.423 -0.935 20 0 FBADHN Cc1nc(CN[C@@H]2C[C@]3(CN(C(=O)C(N)=O)[C@@H]3C(C)C)C[C@H]2O)n[nH]1 ZINC001093460948 840095415 /nfs/dbraw/zinc/09/54/15/840095415.db2.gz AUOIOSSDUDBHFY-QQHRNGFRSA-N 0 3 350.423 -0.935 20 0 FBADHN Cc1nc(CN[C@@H]2C[C@]3(CN(C(=O)C(N)=O)[C@H]3C(C)C)C[C@H]2O)n[nH]1 ZINC001093460949 840095691 /nfs/dbraw/zinc/09/56/91/840095691.db2.gz AUOIOSSDUDBHFY-RLSLPTNOSA-N 0 3 350.423 -0.935 20 0 FBADHN Cc1oncc1CN[C@@H]1C[C@]2(CN(C(=O)C(N)=O)[C@@H]2C(C)C)C[C@H]1O ZINC001093463743 840097184 /nfs/dbraw/zinc/09/71/84/840097184.db2.gz YTJBRZGPGCKJLO-VMUDFCTBSA-N 0 3 350.419 -0.066 20 0 FBADHN Cc1oncc1CN[C@@H]1C[C@]2(CN(C(=O)C(N)=O)[C@H]2C(C)C)C[C@H]1O ZINC001093463744 840096940 /nfs/dbraw/zinc/09/69/40/840096940.db2.gz YTJBRZGPGCKJLO-VWPFQQQWSA-N 0 3 350.419 -0.066 20 0 FBADHN Cc1oncc1CN[C@@H]1C[C@@]2(CN(C(=O)C(N)=O)[C@@H]2C(C)C)C[C@H]1O ZINC001093463745 840096860 /nfs/dbraw/zinc/09/68/60/840096860.db2.gz YTJBRZGPGCKJLO-WBOJAVRRSA-N 0 3 350.419 -0.066 20 0 FBADHN Cc1oncc1CN[C@@H]1C[C@@]2(CN(C(=O)C(N)=O)[C@H]2C(C)C)C[C@H]1O ZINC001093463746 840096952 /nfs/dbraw/zinc/09/69/52/840096952.db2.gz YTJBRZGPGCKJLO-WVZRYYJFSA-N 0 3 350.419 -0.066 20 0 FBADHN CC(C)[C@H]1N(C(=O)c2n[nH]cc2F)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093466187 840097036 /nfs/dbraw/zinc/09/70/36/840097036.db2.gz MFTGURIOYYKWDC-JDOCFBBISA-N 0 3 353.398 -0.386 20 0 FBADHN CC(C)[C@H]1N(C(=O)c2n[nH]cc2F)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093466190 840097135 /nfs/dbraw/zinc/09/71/35/840097135.db2.gz MFTGURIOYYKWDC-MMYVAXCBSA-N 0 3 353.398 -0.386 20 0 FBADHN CC(C)[C@@H]1N(C(=O)c2n[nH]cc2F)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093466191 840097251 /nfs/dbraw/zinc/09/72/51/840097251.db2.gz MFTGURIOYYKWDC-TWINXVHLSA-N 0 3 353.398 -0.386 20 0 FBADHN CC(C)[C@@H]1N(C(=O)c2n[nH]cc2F)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001093466192 840096884 /nfs/dbraw/zinc/09/68/84/840096884.db2.gz MFTGURIOYYKWDC-XYJYNPGVSA-N 0 3 353.398 -0.386 20 0 FBADHN CC(C)[C@@H]1N(C(=O)CCn2cnnn2)C[C@@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001093468596 840098414 /nfs/dbraw/zinc/09/84/14/840098414.db2.gz AEJGFIKZKKOFKM-LUYZLQTOSA-N 0 3 354.430 -0.001 20 0 FBADHN CC(C)[C@H]1N(C(=O)CCn2cnnn2)C[C@@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001093468601 840097695 /nfs/dbraw/zinc/09/76/95/840097695.db2.gz AEJGFIKZKKOFKM-RRCSTGOVSA-N 0 3 354.430 -0.001 20 0 FBADHN CC(C)[C@@H]1N(C(=O)CCn2cnnn2)C[C@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001093468602 840097755 /nfs/dbraw/zinc/09/77/55/840097755.db2.gz AEJGFIKZKKOFKM-VDERGJSUSA-N 0 3 354.430 -0.001 20 0 FBADHN CC(C)[C@H]1N(C(=O)CCn2cnnn2)C[C@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001093468603 840098122 /nfs/dbraw/zinc/09/81/22/840098122.db2.gz AEJGFIKZKKOFKM-XOUADPBQSA-N 0 3 354.430 -0.001 20 0 FBADHN Cc1nonc1C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001093479222 840099005 /nfs/dbraw/zinc/09/90/05/840099005.db2.gz IZDPQWUYTLCART-JDOCFBBISA-N 0 3 351.407 -0.557 20 0 FBADHN Cc1nonc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001093479226 840099150 /nfs/dbraw/zinc/09/91/50/840099150.db2.gz IZDPQWUYTLCART-MMYVAXCBSA-N 0 3 351.407 -0.557 20 0 FBADHN Cc1nonc1C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001093479228 840099754 /nfs/dbraw/zinc/09/97/54/840099754.db2.gz IZDPQWUYTLCART-TWINXVHLSA-N 0 3 351.407 -0.557 20 0 FBADHN Cc1nonc1C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001093479230 840100076 /nfs/dbraw/zinc/10/00/76/840100076.db2.gz IZDPQWUYTLCART-XYJYNPGVSA-N 0 3 351.407 -0.557 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CNCc1ncc(Cl)n1C 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356.448 -0.286 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNCc1cc(=O)n2ccsc2n1 ZINC001093683138 840102565 /nfs/dbraw/zinc/10/25/65/840102565.db2.gz IMWGNGHISQMWAT-GHMZBOCLSA-N 0 3 363.443 -0.185 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNCc1ccc(S(C)(=O)=O)o1 ZINC001093683244 840102313 /nfs/dbraw/zinc/10/23/13/840102313.db2.gz NGYALQQCCGSWDU-GHMZBOCLSA-N 0 3 357.432 -0.257 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C)nn1 ZINC001093690864 840102526 /nfs/dbraw/zinc/10/25/26/840102526.db2.gz HMJPXWDYLQJCQN-FMKPAKJESA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C)nn1 ZINC001093690866 840102659 /nfs/dbraw/zinc/10/26/59/840102659.db2.gz HMJPXWDYLQJCQN-IIAWOOMASA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C)n1 ZINC001093690903 840102641 /nfs/dbraw/zinc/10/26/41/840102641.db2.gz IOHRZESPOJWADP-FMKPAKJESA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C)n1 ZINC001093690904 840102166 /nfs/dbraw/zinc/10/21/66/840102166.db2.gz IOHRZESPOJWADP-IIAWOOMASA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1ncnc1CNC[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC001093691322 840102671 /nfs/dbraw/zinc/10/26/71/840102671.db2.gz RFZAKCJXBYEWHG-KFWWJZLASA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1ncnc1CNC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC001093691323 840102055 /nfs/dbraw/zinc/10/20/55/840102055.db2.gz RFZAKCJXBYEWHG-RBSFLKMASA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)nn1 ZINC001093725343 840103523 /nfs/dbraw/zinc/10/35/23/840103523.db2.gz SETLZGGJBTZUNI-HUUCEWRRSA-N 0 3 350.467 -0.186 20 0 FBADHN C[C@H](NC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C)c1nncn1C ZINC001093725403 840103341 /nfs/dbraw/zinc/10/33/41/840103341.db2.gz VLNLHAFTIWAVGU-QLFBSQMISA-N 0 3 350.467 -0.108 20 0 FBADHN C[C@@H](NC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C)c1nncn1C ZINC001093725405 840104053 /nfs/dbraw/zinc/10/40/53/840104053.db2.gz VLNLHAFTIWAVGU-RBSFLKMASA-N 0 3 350.467 -0.108 20 0 FBADHN COc1cc(CNC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C)on1 ZINC001093727984 840103601 /nfs/dbraw/zinc/10/36/01/840103601.db2.gz UBKBQKQONUQKRF-GHMZBOCLSA-N 0 3 350.379 -0.135 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C)nn1 ZINC001093728117 840103452 /nfs/dbraw/zinc/10/34/52/840103452.db2.gz COZGHIAGEYGFLM-FMKPAKJESA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C)nn1 ZINC001093728118 840103924 /nfs/dbraw/zinc/10/39/24/840103924.db2.gz COZGHIAGEYGFLM-IIAWOOMASA-N 0 3 350.467 -0.187 20 0 FBADHN CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001093747721 840104595 /nfs/dbraw/zinc/10/45/95/840104595.db2.gz CBJWKLHOPUIZJC-RAIGVLPGSA-N 0 3 350.423 -0.101 20 0 FBADHN CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001093747722 840104917 /nfs/dbraw/zinc/10/49/17/840104917.db2.gz CBJWKLHOPUIZJC-RTXFEEFZSA-N 0 3 350.423 -0.101 20 0 FBADHN CCc1nnc(CNC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C)n1C ZINC001093747879 840104946 /nfs/dbraw/zinc/10/49/46/840104946.db2.gz IUDJPDIFGVDRAS-IJLUTSLNSA-N 0 3 350.423 -0.330 20 0 FBADHN CCc1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C)n1C ZINC001093747880 840104459 /nfs/dbraw/zinc/10/44/59/840104459.db2.gz IUDJPDIFGVDRAS-UTUOFQBUSA-N 0 3 350.423 -0.330 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CNCc1ncc(Cl)n1C ZINC001093773117 840104880 /nfs/dbraw/zinc/10/48/80/840104880.db2.gz FYQDEGUASWMCIE-GHMZBOCLSA-N 0 3 352.830 -0.056 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CNCc1nccs1 ZINC001093781541 840106150 /nfs/dbraw/zinc/10/61/50/840106150.db2.gz FDAPIZUTRCXQOT-GHMZBOCLSA-N 0 3 363.447 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CNCc1cscn1 ZINC001093782146 840106368 /nfs/dbraw/zinc/10/63/68/840106368.db2.gz YJZVRKQYXNXDCN-GHMZBOCLSA-N 0 3 363.447 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CNCc1cnns1 ZINC001093782152 840106528 /nfs/dbraw/zinc/10/65/28/840106528.db2.gz YSDXQTZLXCAPAL-NXEZZACHSA-N 0 3 364.435 -0.887 20 0 FBADHN COc1nccc(CNC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)n1 ZINC001093791608 840106680 /nfs/dbraw/zinc/10/66/80/840106680.db2.gz KCARJJCLJAMNNF-VXGBXAGGSA-N 0 3 368.459 -0.286 20 0 FBADHN COc1cc(CNC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)on1 ZINC001093792196 840106246 /nfs/dbraw/zinc/10/62/46/840106246.db2.gz SGASHWAXMMTXRE-GHMZBOCLSA-N 0 3 357.432 -0.088 20 0 FBADHN COc1cncc(CNC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)n1 ZINC001093792297 840106708 /nfs/dbraw/zinc/10/67/08/840106708.db2.gz XCOYXZVSYBMLLN-VXGBXAGGSA-N 0 3 368.459 -0.286 20 0 FBADHN COc1ccc(CNC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)nn1 ZINC001093792298 840106633 /nfs/dbraw/zinc/10/66/33/840106633.db2.gz XFMVSWUPRZRZLR-VXGBXAGGSA-N 0 3 368.459 -0.286 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C)nn1C ZINC001093792344 840106563 /nfs/dbraw/zinc/10/65/63/840106563.db2.gz ZLWLQGLMAVMTBY-DGCLKSJQSA-N 0 3 354.476 -0.043 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001093808613 840107758 /nfs/dbraw/zinc/10/77/58/840107758.db2.gz SFUOJOWOCNSQAU-CHWSQXEVSA-N 0 3 370.479 -0.965 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1CNCc1nccn1C ZINC001093808649 840107334 /nfs/dbraw/zinc/10/73/34/840107334.db2.gz VIWUNDRYLYMXOO-ZIAGYGMSSA-N 0 3 369.491 -0.360 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C)[nH]1 ZINC001093808899 840107607 /nfs/dbraw/zinc/10/76/07/840107607.db2.gz YOOWBLJSSZKWNZ-DGCLKSJQSA-N 0 3 370.479 -0.667 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001093808917 840108196 /nfs/dbraw/zinc/10/81/96/840108196.db2.gz YSDFNYSHDAOMGO-ZIAGYGMSSA-N 0 3 369.491 -0.360 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C)[nH]1 ZINC001093827362 840107724 /nfs/dbraw/zinc/10/77/24/840107724.db2.gz AYJDKAGUROBXLA-DGCLKSJQSA-N 0 3 350.423 -0.844 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1CNCc1cnns1 ZINC001093827409 840108091 /nfs/dbraw/zinc/10/80/91/840108091.db2.gz DSZKQYQCJTYLFF-VXGBXAGGSA-N 0 3 353.448 -0.419 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1CNCc1cscn1 ZINC001093830549 840109483 /nfs/dbraw/zinc/10/94/83/840109483.db2.gz GWRZZIHBSYRBBW-FOGDFJRCSA-N 0 3 351.432 -0.075 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1CNCc1nccs1 ZINC001093830614 840109618 /nfs/dbraw/zinc/10/96/18/840109618.db2.gz KRRZKQWKCWDTPZ-MXWKQRLJSA-N 0 3 351.432 -0.075 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1CNCc1cnns1 ZINC001093830680 840109317 /nfs/dbraw/zinc/10/93/17/840109317.db2.gz MKEOQPXEKOSGGH-KKZNHRDASA-N 0 3 352.420 -0.680 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093849882 840109058 /nfs/dbraw/zinc/10/90/58/840109058.db2.gz SVPZSBJXDCLHQN-FRRDWIJNSA-N 0 3 368.459 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093849885 840109238 /nfs/dbraw/zinc/10/92/38/840109238.db2.gz SVPZSBJXDCLHQN-JHJVBQTASA-N 0 3 368.459 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CNCc1ncnn1C ZINC001093857378 840109223 /nfs/dbraw/zinc/10/92/23/840109223.db2.gz BGIKOSWNAZYGHT-KBUPBQIOSA-N 0 3 350.467 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CNCc1nncn1C ZINC001093857534 840109173 /nfs/dbraw/zinc/10/91/73/840109173.db2.gz KBPXGXDDKQWBAB-KBUPBQIOSA-N 0 3 350.467 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CNCc1nnnn1C ZINC001093857560 840109657 /nfs/dbraw/zinc/10/96/57/840109657.db2.gz LBKLAFDPHVLJGE-AAVRWANBSA-N 0 3 351.455 -0.887 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CNCc1cnn(C)n1 ZINC001093857735 840109341 /nfs/dbraw/zinc/10/93/41/840109341.db2.gz UVXGAWWNXMXBMG-IXYNUQLISA-N 0 3 350.467 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CNCc1cn(C)nn1 ZINC001093857797 840108734 /nfs/dbraw/zinc/10/87/34/840108734.db2.gz YQPKFXMPISMTRL-IXYNUQLISA-N 0 3 350.467 -0.282 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CNCc1nccs1 ZINC001093875381 840110806 /nfs/dbraw/zinc/11/08/06/840110806.db2.gz PJIMBHYPUPYSJM-VXGBXAGGSA-N 0 3 350.448 -0.077 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CNCc1cnns1 ZINC001093875395 840110855 /nfs/dbraw/zinc/11/08/55/840110855.db2.gz QBBFVCXNKZWUJJ-CHWSQXEVSA-N 0 3 366.491 -0.504 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CNCc1cnns1 ZINC001093875816 840111766 /nfs/dbraw/zinc/11/17/66/840111766.db2.gz KCSUMLKJZYZAMB-GHMZBOCLSA-N 0 3 351.436 -0.682 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CNCc1cscn1 ZINC001093876331 840112024 /nfs/dbraw/zinc/11/20/24/840112024.db2.gz WZTWVPXIKJISNB-VXGBXAGGSA-N 0 3 350.448 -0.077 20 0 FBADHN CCN1CCOC[C@H]1C(=O)N1C[C@@H](CNCc2nncn2C)[C@H](C)C1 ZINC001093880236 840112142 /nfs/dbraw/zinc/11/21/42/840112142.db2.gz CVDIANSLDKLKIG-KFWWJZLASA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)N1C[C@@H](CNCc2nncn2C)[C@H](C)C1 ZINC001093880241 840112292 /nfs/dbraw/zinc/11/22/92/840112292.db2.gz CVDIANSLDKLKIG-RBSFLKMASA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCOC[C@H]1C(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001093881073 840112229 /nfs/dbraw/zinc/11/22/29/840112229.db2.gz MWKBIQVKTWWWKY-FMKPAKJESA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001093881074 840112260 /nfs/dbraw/zinc/11/22/60/840112260.db2.gz MWKBIQVKTWWWKY-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1CNCc1cnns1 ZINC001093897310 840114001 /nfs/dbraw/zinc/11/40/01/840114001.db2.gz VZSCPSZYTFHIOJ-GHMZBOCLSA-N 0 3 364.431 -0.315 20 0 FBADHN C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CNCc1cnns1 ZINC001093940020 840116587 /nfs/dbraw/zinc/11/65/87/840116587.db2.gz PZTIQSLWFVPMCF-VXGBXAGGSA-N 0 3 365.463 -0.292 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CNCc1cnns1 ZINC001093961578 840115672 /nfs/dbraw/zinc/11/56/72/840115672.db2.gz FQCVUSGQBDPBRE-VXGBXAGGSA-N 0 3 352.464 -0.846 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CNCc1nccs1 ZINC001093962024 840115581 /nfs/dbraw/zinc/11/55/81/840115581.db2.gz NEUYMAGCOBDZEY-CHWSQXEVSA-N 0 3 351.476 -0.241 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CNCc1cscn1 ZINC001093964220 840115296 /nfs/dbraw/zinc/11/52/96/840115296.db2.gz NUMRALDJFKTFOB-CHWSQXEVSA-N 0 3 351.476 -0.241 20 0 FBADHN COc1cc(CNC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C)on1 ZINC001093965876 840115559 /nfs/dbraw/zinc/11/55/59/840115559.db2.gz WLGKWTNVCYIHDA-NQBHXWOUSA-N 0 3 351.407 -0.109 20 0 FBADHN COc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C)on1 ZINC001093965877 840115244 /nfs/dbraw/zinc/11/52/44/840115244.db2.gz WLGKWTNVCYIHDA-WZRBSPASSA-N 0 3 351.407 -0.109 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CNCc1ncc(Cl)n1C ZINC001094002342 840117188 /nfs/dbraw/zinc/11/71/88/840117188.db2.gz HKEKWQYOYUALCU-GMTAPVOTSA-N 0 3 354.842 -0.061 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CNCc1ncc(Cl)n1C ZINC001094002343 840116546 /nfs/dbraw/zinc/11/65/46/840116546.db2.gz HKEKWQYOYUALCU-MXWKQRLJSA-N 0 3 354.842 -0.061 20 0 FBADHN Cc1nn2c(nc(CNC[C@@H]3CN(C(=O)C(N)=O)C[C@H]3C)cc2=O)s1 ZINC001094007495 840116705 /nfs/dbraw/zinc/11/67/05/840116705.db2.gz WJQAJVUYYYQRDR-PSASIEDQSA-N 0 3 364.431 -0.871 20 0 FBADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNCc1c(Br)cnn1C ZINC001094007734 840117145 /nfs/dbraw/zinc/11/71/45/840117145.db2.gz FEYFWGJGDBRKED-RKDXNWHRSA-N 0 3 358.240 -0.148 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)[nH]1 ZINC001094038479 840117970 /nfs/dbraw/zinc/11/79/70/840117970.db2.gz AIXBGLNKFGZBMV-FOUMNBMASA-N 0 3 350.423 -0.670 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNCc1cn(C)nn1 ZINC001094038882 840118147 /nfs/dbraw/zinc/11/81/47/840118147.db2.gz XOEJYYLGMGKSDH-MHDGFBEUSA-N 0 3 350.423 -0.968 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNCc1cnns1 ZINC001094039639 840117712 /nfs/dbraw/zinc/11/77/12/840117712.db2.gz NZAZDCDMRYFFCQ-VCDKRKBESA-N 0 3 353.448 -0.245 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1CNCc1cscn1 ZINC001094075745 840120226 /nfs/dbraw/zinc/12/02/26/840120226.db2.gz GWNFQUWTRWMZDV-FOGDFJRCSA-N 0 3 351.432 -0.075 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1CNCc1cnns1 ZINC001094075762 840120176 /nfs/dbraw/zinc/12/01/76/840120176.db2.gz HTNNMEOEFBSYGD-KKZNHRDASA-N 0 3 352.420 -0.680 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1CNCc1nccs1 ZINC001094075889 840119327 /nfs/dbraw/zinc/11/93/27/840119327.db2.gz IJVXTRDBHNFRIN-MXWKQRLJSA-N 0 3 351.432 -0.075 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1CNCc1nccn1C ZINC001094103167 840123113 /nfs/dbraw/zinc/12/31/13/840123113.db2.gz FBVKKAICXOYCNJ-MCIONIFRSA-N 0 3 369.491 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1CNCc1nccn1C ZINC001094103168 840122510 /nfs/dbraw/zinc/12/25/10/840122510.db2.gz FBVKKAICXOYCNJ-MGPQQGTHSA-N 0 3 369.491 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001094103252 840122439 /nfs/dbraw/zinc/12/24/39/840122439.db2.gz ISEOSOOEJYFCFC-NFAWXSAZSA-N 0 3 369.491 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001094103253 840122848 /nfs/dbraw/zinc/12/28/48/840122848.db2.gz ISEOSOOEJYFCFC-UMVBOHGHSA-N 0 3 369.491 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001094103267 840122357 /nfs/dbraw/zinc/12/23/57/840122357.db2.gz JPBQJIPPYNFWLI-BZPMIXESSA-N 0 3 370.479 -0.967 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001094103268 840122638 /nfs/dbraw/zinc/12/26/38/840122638.db2.gz JPBQJIPPYNFWLI-YRGRVCCFSA-N 0 3 370.479 -0.967 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@H]2C)[nH]1 ZINC001094103705 840124441 /nfs/dbraw/zinc/12/44/41/840124441.db2.gz YKLRNGNHDIKMDE-RAIGVLPGSA-N 0 3 370.479 -0.669 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@H]2C)[nH]1 ZINC001094103706 840124508 /nfs/dbraw/zinc/12/45/08/840124508.db2.gz YKLRNGNHDIKMDE-RTXFEEFZSA-N 0 3 370.479 -0.669 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1CNCc1cnns1 ZINC001094110368 840121112 /nfs/dbraw/zinc/12/11/12/840121112.db2.gz UWOAXIJTZBMYQT-MWLCHTKSSA-N 0 3 351.432 -0.225 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1CNCc1cnn(C)n1 ZINC001094110648 840121057 /nfs/dbraw/zinc/12/10/57/840121057.db2.gz KPTWJMRJIWQGSJ-HUUCEWRRSA-N 0 3 350.467 -0.279 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CNCc1cscn1 ZINC001094113716 840121718 /nfs/dbraw/zinc/12/17/18/840121718.db2.gz XRASIKCWOHJPNF-GHMZBOCLSA-N 0 3 351.432 -0.121 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1CNCc1ncnn1C ZINC001094113848 840121237 /nfs/dbraw/zinc/12/12/37/840121237.db2.gz GCNRCKUKVXBUFZ-HUUCEWRRSA-N 0 3 350.467 -0.279 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001094114093 840121443 /nfs/dbraw/zinc/12/14/43/840121443.db2.gz QZUJXPWMVDUDET-HUUCEWRRSA-N 0 3 350.467 -0.279 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1CNCc1nncn1C ZINC001094114106 840121556 /nfs/dbraw/zinc/12/15/56/840121556.db2.gz SFJIOUAHWLGTKA-HUUCEWRRSA-N 0 3 350.467 -0.279 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1CNCc1nnnn1C ZINC001094114137 840121835 /nfs/dbraw/zinc/12/18/35/840121835.db2.gz UOZDBRLTJFXYIH-ZIAGYGMSSA-N 0 3 351.455 -0.884 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CNCc1nccs1 ZINC001094114543 840121756 /nfs/dbraw/zinc/12/17/56/840121756.db2.gz IOTVLPCFEHEDAA-GHMZBOCLSA-N 0 3 351.432 -0.121 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CNCc1cnns1 ZINC001094114566 840121812 /nfs/dbraw/zinc/12/18/12/840121812.db2.gz JNSOMCZCQXSMBN-NXEZZACHSA-N 0 3 352.420 -0.726 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CNCc1cnns1 ZINC001094152053 840124708 /nfs/dbraw/zinc/12/47/08/840124708.db2.gz NBIZIWGAEMSSOH-GHMZBOCLSA-N 0 3 366.447 -0.336 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CNCc1cnns1 ZINC001094163320 840124013 /nfs/dbraw/zinc/12/40/13/840124013.db2.gz VHNGJKALSIBPOY-GHMZBOCLSA-N 0 3 366.447 -0.384 20 0 FBADHN CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](CNCc3cnns3)[C@H](C)C2)C1 ZINC001094196204 840127854 /nfs/dbraw/zinc/12/78/54/840127854.db2.gz BGEMDSYXTLDOME-KYOSRNDESA-N 0 3 367.475 -0.031 20 0 FBADHN CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](CNCc3cnns3)[C@H](C)C2)C1 ZINC001094196205 840127526 /nfs/dbraw/zinc/12/75/26/840127526.db2.gz BGEMDSYXTLDOME-UXIGCNINSA-N 0 3 367.475 -0.031 20 0 FBADHN Cc1nn(CC(=O)N2C[C@@H](CNCc3cnns3)[C@H](C)C2)c(=O)n1C ZINC001094196217 840127597 /nfs/dbraw/zinc/12/75/97/840127597.db2.gz BWKMKARORXBGEH-ZYHUDNBSSA-N 0 3 365.463 -0.374 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CNCc1cnns1 ZINC001094208861 840125323 /nfs/dbraw/zinc/12/53/23/840125323.db2.gz RGEGJECFHXFEMW-GHMZBOCLSA-N 0 3 366.447 -0.384 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CNCc1cscn1 ZINC001094208989 840125467 /nfs/dbraw/zinc/12/54/67/840125467.db2.gz ZOIUJPLTQHFJGV-GHMZBOCLSA-N 0 3 351.432 -0.121 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CNCc1nccs1 ZINC001094209531 840125401 /nfs/dbraw/zinc/12/54/01/840125401.db2.gz PPZDMTLSCPSBQX-GHMZBOCLSA-N 0 3 351.432 -0.121 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CNCc1cnns1 ZINC001094209859 840125704 /nfs/dbraw/zinc/12/57/04/840125704.db2.gz YYJLMSWTYGGAEP-NXEZZACHSA-N 0 3 352.420 -0.726 20 0 FBADHN C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1CNCc1cnns1 ZINC001094210346 840125341 /nfs/dbraw/zinc/12/53/41/840125341.db2.gz CNTRCKVSUOWUDU-CKYFFXLPSA-N 0 3 366.447 -0.290 20 0 FBADHN C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1CNCc1cnns1 ZINC001094210348 840125292 /nfs/dbraw/zinc/12/52/92/840125292.db2.gz CNTRCKVSUOWUDU-FOGDFJRCSA-N 0 3 366.447 -0.290 20 0 FBADHN C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1CNCc1cnns1 ZINC001094210377 840125438 /nfs/dbraw/zinc/12/54/38/840125438.db2.gz DIDFOXDBFKFMEI-NXEZZACHSA-N 0 3 361.431 -0.075 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1CNCc1cnns1 ZINC001094212014 840126637 /nfs/dbraw/zinc/12/66/37/840126637.db2.gz SYEYXUHVYKLWMW-GHMZBOCLSA-N 0 3 351.432 -0.129 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1CNCc1cnns1 ZINC001094217657 840127025 /nfs/dbraw/zinc/12/70/25/840127025.db2.gz BBTVFOGUOGYATN-NXEZZACHSA-N 0 3 364.431 -0.165 20 0 FBADHN CCn1ccnc1CNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001094227406 840128108 /nfs/dbraw/zinc/12/81/08/840128108.db2.gz BULNSOQGHVJKNL-MCIONIFRSA-N 0 3 369.491 -0.221 20 0 FBADHN CCn1ccnc1CNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001094227407 840128071 /nfs/dbraw/zinc/12/80/71/840128071.db2.gz BULNSOQGHVJKNL-MGPQQGTHSA-N 0 3 369.491 -0.221 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)nn1C ZINC001094227459 840127482 /nfs/dbraw/zinc/12/74/82/840127482.db2.gz FOQAULIOBJEBRK-KYOSRNDESA-N 0 3 369.491 -0.396 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)nn1C ZINC001094227460 840127974 /nfs/dbraw/zinc/12/79/74/840127974.db2.gz FOQAULIOBJEBRK-UXIGCNINSA-N 0 3 369.491 -0.396 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CNCc1cnns1 ZINC001094227482 840127807 /nfs/dbraw/zinc/12/78/07/840127807.db2.gz GPHLFFMWNVACDK-CKYFFXLPSA-N 0 3 359.477 -0.586 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CNCc1cnns1 ZINC001094227483 840127707 /nfs/dbraw/zinc/12/77/07/840127707.db2.gz GPHLFFMWNVACDK-FOGDFJRCSA-N 0 3 359.477 -0.586 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)on1 ZINC001094227515 840128947 /nfs/dbraw/zinc/12/89/47/840128947.db2.gz HXNCOARFJMYTGT-MPKXVKKWSA-N 0 3 356.448 -0.141 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)on1 ZINC001094227516 840129425 /nfs/dbraw/zinc/12/94/25/840129425.db2.gz HXNCOARFJMYTGT-QKCSRTOESA-N 0 3 356.448 -0.141 20 0 FBADHN Cc1ncoc1CNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001094227560 840129360 /nfs/dbraw/zinc/12/93/60/840129360.db2.gz KLLMUCAXJJJZFB-RAIGVLPGSA-N 0 3 356.448 -0.141 20 0 FBADHN Cc1ncoc1CNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001094227561 840129086 /nfs/dbraw/zinc/12/90/86/840129086.db2.gz KLLMUCAXJJJZFB-RTXFEEFZSA-N 0 3 356.448 -0.141 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CNCc1nccn1C ZINC001094227602 840128903 /nfs/dbraw/zinc/12/89/03/840128903.db2.gz MYUYAQZKUAHJKJ-JHJVBQTASA-N 0 3 355.464 -0.704 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CNCc1nccn1C ZINC001094227603 840129131 /nfs/dbraw/zinc/12/91/31/840129131.db2.gz MYUYAQZKUAHJKJ-UPJWGTAASA-N 0 3 355.464 -0.704 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)nn1 ZINC001094227604 840129381 /nfs/dbraw/zinc/12/93/81/840129381.db2.gz MZDQERSUMSMZFA-BZPMIXESSA-N 0 3 370.479 -0.826 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)nn1 ZINC001094227605 840129318 /nfs/dbraw/zinc/12/93/18/840129318.db2.gz MZDQERSUMSMZFA-YRGRVCCFSA-N 0 3 370.479 -0.826 20 0 FBADHN CCn1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)n1 ZINC001094227632 840128774 /nfs/dbraw/zinc/12/87/74/840128774.db2.gz ORLOEPIDYRBOJV-NFAWXSAZSA-N 0 3 369.491 -0.221 20 0 FBADHN CCn1ccc(CNC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)n1 ZINC001094227633 840129486 /nfs/dbraw/zinc/12/94/86/840129486.db2.gz ORLOEPIDYRBOJV-UMVBOHGHSA-N 0 3 369.491 -0.221 20 0 FBADHN Cc1ncc(CNC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)o1 ZINC001094227641 840129117 /nfs/dbraw/zinc/12/91/17/840129117.db2.gz PEUSUSKBTCOFDD-MPKXVKKWSA-N 0 3 356.448 -0.141 20 0 FBADHN Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C)o1 ZINC001094227642 840129277 /nfs/dbraw/zinc/12/92/77/840129277.db2.gz PEUSUSKBTCOFDD-QKCSRTOESA-N 0 3 356.448 -0.141 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CNCc1ccn(C)n1 ZINC001094227775 840129263 /nfs/dbraw/zinc/12/92/63/840129263.db2.gz WESLYBDZOUQONC-BZPMIXESSA-N 0 3 355.464 -0.704 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CNCc1ccn(C)n1 ZINC001094227776 840129175 /nfs/dbraw/zinc/12/91/75/840129175.db2.gz WESLYBDZOUQONC-YRGRVCCFSA-N 0 3 355.464 -0.704 20 0 FBADHN CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001094230303 840130745 /nfs/dbraw/zinc/13/07/45/840130745.db2.gz HXZQHNTYNKSNLR-KYOSRNDESA-N 0 3 367.475 -0.031 20 0 FBADHN CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001094230304 840130354 /nfs/dbraw/zinc/13/03/54/840130354.db2.gz HXZQHNTYNKSNLR-UXIGCNINSA-N 0 3 367.475 -0.031 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@@H](CNCc3nnnn3C)[C@H](C)C2)C1 ZINC001094231818 840130859 /nfs/dbraw/zinc/13/08/59/840130859.db2.gz CUTXSFNNNUCHFR-MCIONIFRSA-N 0 3 351.455 -0.885 20 0 FBADHN CCN1CCO[C@@H](C(=O)N2C[C@@H](CNCc3nnnn3C)[C@H](C)C2)C1 ZINC001094231819 840130634 /nfs/dbraw/zinc/13/06/34/840130634.db2.gz CUTXSFNNNUCHFR-MGPQQGTHSA-N 0 3 351.455 -0.885 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@@H](CNCc3nncn3C)[C@H](C)C2)C1 ZINC001094232344 840130587 /nfs/dbraw/zinc/13/05/87/840130587.db2.gz SSISUGLQNMXORS-KFWWJZLASA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCO[C@@H](C(=O)N2C[C@@H](CNCc3nncn3C)[C@H](C)C2)C1 ZINC001094232345 840130395 /nfs/dbraw/zinc/13/03/95/840130395.db2.gz SSISUGLQNMXORS-RBSFLKMASA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@@H](CNCc3cnn(C)n3)[C@H](C)C2)C1 ZINC001094232596 840130546 /nfs/dbraw/zinc/13/05/46/840130546.db2.gz ZCBUYBVPTCDIKL-FMKPAKJESA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCO[C@@H](C(=O)N2C[C@@H](CNCc3cnn(C)n3)[C@H](C)C2)C1 ZINC001094232597 840130764 /nfs/dbraw/zinc/13/07/64/840130764.db2.gz ZCBUYBVPTCDIKL-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@@H](CNCc3cn(C)nn3)[C@H](C)C2)C1 ZINC001094234178 840130897 /nfs/dbraw/zinc/13/08/97/840130897.db2.gz QRPJFMRUQJULKV-FMKPAKJESA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCO[C@@H](C(=O)N2C[C@@H](CNCc3cn(C)nn3)[C@H](C)C2)C1 ZINC001094234179 840130664 /nfs/dbraw/zinc/13/06/64/840130664.db2.gz QRPJFMRUQJULKV-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@@H](CNCc3ncnn3C)[C@H](C)C2)C1 ZINC001094234206 840130727 /nfs/dbraw/zinc/13/07/27/840130727.db2.gz SPXZAZWLQFWNRR-KFWWJZLASA-N 0 3 350.467 -0.280 20 0 FBADHN 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C[C@@H](O)CN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C(F)(F)F ZINC001099277230 842421001 /nfs/dbraw/zinc/42/10/01/842421001.db2.gz QFOFJQSTOXHEPZ-GMTAPVOTSA-N 0 3 365.352 -0.115 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C(F)(F)F ZINC001099277231 842420928 /nfs/dbraw/zinc/42/09/28/842420928.db2.gz QFOFJQSTOXHEPZ-HBNTYKKESA-N 0 3 365.352 -0.115 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)O1 ZINC001099279703 842421489 /nfs/dbraw/zinc/42/14/89/842421489.db2.gz SCBVCFGLCSCQEC-KKOKHZNYSA-N 0 3 367.368 -0.229 20 0 FBADHN Cn1nnc2cc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](NCCO)C3)cnc21 ZINC001099281035 842420983 /nfs/dbraw/zinc/42/09/83/842420983.db2.gz DKQDLEIJTZHFKC-MWLCHTKSSA-N 0 3 358.324 -0.052 20 0 FBADHN O=C([C@@H]1Cc2cncn2C(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099283352 842421075 /nfs/dbraw/zinc/42/10/75/842421075.db2.gz ANROBAJFUUQHAZ-OUAUKWLOSA-N 0 3 361.324 -0.663 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001099284492 842422606 /nfs/dbraw/zinc/42/26/06/842422606.db2.gz CMHKAYZTJZADCU-GMTAPVOTSA-N 0 3 365.356 -0.668 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001099284493 842422234 /nfs/dbraw/zinc/42/22/34/842422234.db2.gz CMHKAYZTJZADCU-HBNTYKKESA-N 0 3 365.356 -0.668 20 0 FBADHN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)N(C(C)=O)C1 ZINC001099284873 842422617 /nfs/dbraw/zinc/42/26/17/842422617.db2.gz HKRPGMOUQDNCLH-UMSGYPCISA-N 0 3 367.368 -0.407 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)N2CCC2)C1 ZINC001099288871 842422370 /nfs/dbraw/zinc/42/23/70/842422370.db2.gz DGYSFCJPDKHPAI-NXEZZACHSA-N 0 3 360.340 -0.062 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)c1=O ZINC001099288987 842422510 /nfs/dbraw/zinc/42/25/10/842422510.db2.gz ZWEAOULQYMTRFN-RKDXNWHRSA-N 0 3 350.297 -0.929 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001099289383 842421974 /nfs/dbraw/zinc/42/19/74/842421974.db2.gz JRYPQYCKDQHARC-NXEZZACHSA-N 0 3 358.328 -0.003 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@H]2CCCNC2=O)C1 ZINC001099289423 842422637 /nfs/dbraw/zinc/42/26/37/842422637.db2.gz LWZIFBZMSCUFGY-KXUCPTDWSA-N 0 3 360.340 -0.016 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001099289424 842422094 /nfs/dbraw/zinc/42/20/94/842422094.db2.gz LWZIFBZMSCUFGY-OPRDCNLKSA-N 0 3 360.340 -0.016 20 0 FBADHN Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)c1C ZINC001099289579 842422018 /nfs/dbraw/zinc/42/20/18/842422018.db2.gz RUDFMPJUZYJZGN-GHMZBOCLSA-N 0 3 362.352 -0.018 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001099289632 842422590 /nfs/dbraw/zinc/42/25/90/842422590.db2.gz VUBUEEJAWCZZII-KXUCPTDWSA-N 0 3 360.340 -0.064 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001099289633 842422268 /nfs/dbraw/zinc/42/22/68/842422268.db2.gz VUBUEEJAWCZZII-OPRDCNLKSA-N 0 3 360.340 -0.064 20 0 FBADHN O=C([C@@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001099289891 842422466 /nfs/dbraw/zinc/42/24/66/842422466.db2.gz GKZBDEGDBASPEB-GMTAPVOTSA-N 0 3 360.340 -0.607 20 0 FBADHN O=C([C@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001099289892 842421825 /nfs/dbraw/zinc/42/18/25/842421825.db2.gz GKZBDEGDBASPEB-HBNTYKKESA-N 0 3 360.340 -0.607 20 0 FBADHN O=C([C@@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1 ZINC001099290320 842423830 /nfs/dbraw/zinc/42/38/30/842423830.db2.gz SJTCDWRAQNWGCU-IJLUTSLNSA-N 0 3 359.352 -0.002 20 0 FBADHN O=C([C@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1 ZINC001099290321 842423748 /nfs/dbraw/zinc/42/37/48/842423748.db2.gz SJTCDWRAQNWGCU-QJPTWQEYSA-N 0 3 359.352 -0.002 20 0 FBADHN Cn1nnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)n1 ZINC001099292125 842423835 /nfs/dbraw/zinc/42/38/35/842423835.db2.gz HGVMWWLLVULMFC-RKDXNWHRSA-N 0 3 359.316 -0.906 20 0 FBADHN Cn1nnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cccn3)C2)n1 ZINC001099292186 842423850 /nfs/dbraw/zinc/42/38/50/842423850.db2.gz JIUKISBMJUYSKY-NXEZZACHSA-N 0 3 358.328 -0.301 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC(N)=O)C2)C1 ZINC001099296185 842423796 /nfs/dbraw/zinc/42/37/96/842423796.db2.gz MGEKDALTGIANNR-IJLUTSLNSA-N 0 3 366.384 -0.440 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC(N)=O)C2)C1 ZINC001099296186 842423776 /nfs/dbraw/zinc/42/37/76/842423776.db2.gz MGEKDALTGIANNR-UTUOFQBUSA-N 0 3 366.384 -0.440 20 0 FBADHN NC(=O)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)CC1 ZINC001099297009 842423825 /nfs/dbraw/zinc/42/38/25/842423825.db2.gz CWMZJPPNGWANLS-NXEZZACHSA-N 0 3 360.340 -0.478 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC[C@H]2CCS(=O)(=O)C2)C1 ZINC001099297167 837130806 /nfs/dbraw/zinc/13/08/06/837130806.db2.gz HVSVJCZJLCWKLT-IVZWLZJFSA-N 0 3 371.381 -0.725 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001099297171 837131367 /nfs/dbraw/zinc/13/13/67/837131367.db2.gz HVSVJCZJLCWKLT-OPRDCNLKSA-N 0 3 371.381 -0.725 20 0 FBADHN O=C([C@H]1CNC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1 ZINC001099297218 842424897 /nfs/dbraw/zinc/42/48/97/842424897.db2.gz JJULKSGSVPAZSD-GMTAPVOTSA-N 0 3 360.340 -0.457 20 0 FBADHN O=C([C@@H]1CNC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1 ZINC001099297219 842424724 /nfs/dbraw/zinc/42/47/24/842424724.db2.gz JJULKSGSVPAZSD-OUAUKWLOSA-N 0 3 360.340 -0.457 20 0 FBADHN Cn1nnc2c1nccc2C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099298112 842424889 /nfs/dbraw/zinc/42/48/89/842424889.db2.gz QQFMFXMQJPOPMN-NXEZZACHSA-N 0 3 358.324 -0.052 20 0 FBADHN Cn1nnc2c1C[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)CC2 ZINC001099298598 842424880 /nfs/dbraw/zinc/42/48/80/842424880.db2.gz WXVPXQDTUYUGFI-CKYFFXLPSA-N 0 3 361.368 -0.109 20 0 FBADHN Cn1nnc2c1C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)CC2 ZINC001099298599 842425009 /nfs/dbraw/zinc/42/50/09/842425009.db2.gz WXVPXQDTUYUGFI-HOSYDEDBSA-N 0 3 361.368 -0.109 20 0 FBADHN CN1CC(C(=O)N2C[C@@H](C(F)(F)F)[C@H](N[C@H]3CCNC3=O)C2)=NC1=O ZINC001099301200 842426265 /nfs/dbraw/zinc/42/62/65/842426265.db2.gz FXBAOOWZFWTHGV-HRDYMLBCSA-N 0 3 361.324 -0.393 20 0 FBADHN CN1CC(C(=O)N2C[C@@H](C(F)(F)F)[C@H](N[C@@H]3CCNC3=O)C2)=NC1=O ZINC001099301201 842425852 /nfs/dbraw/zinc/42/58/52/842425852.db2.gz FXBAOOWZFWTHGV-IWSPIJDZSA-N 0 3 361.324 -0.393 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)O1 ZINC001099306601 842425640 /nfs/dbraw/zinc/42/56/40/842425640.db2.gz LWXWVFAZWDVNQX-WISYIIOYSA-N 0 3 367.368 -0.407 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1 ZINC001099306960 842426166 /nfs/dbraw/zinc/42/61/66/842426166.db2.gz AZVIDQKCVIGEFU-WRWGMCAJSA-N 0 3 359.352 -0.017 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001099307500 842426923 /nfs/dbraw/zinc/42/69/23/842426923.db2.gz XGNGSVCEHSXQQI-LMLFDSFASA-N 0 3 360.340 -0.622 20 0 FBADHN CC[C@@H](N[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099311166 842427366 /nfs/dbraw/zinc/42/73/66/842427366.db2.gz OBFLRLOPXMLTKQ-GMTAPVOTSA-N 0 3 362.356 -0.020 20 0 FBADHN CC[C@@H](N[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099311166 842427362 /nfs/dbraw/zinc/42/73/62/842427362.db2.gz OBFLRLOPXMLTKQ-GMTAPVOTSA-N 0 3 362.356 -0.020 20 0 FBADHN CC[C@H](N[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099311168 842427567 /nfs/dbraw/zinc/42/75/67/842427567.db2.gz OBFLRLOPXMLTKQ-OUAUKWLOSA-N 0 3 362.356 -0.020 20 0 FBADHN CC[C@H](N[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099311168 842427562 /nfs/dbraw/zinc/42/75/62/842427562.db2.gz OBFLRLOPXMLTKQ-OUAUKWLOSA-N 0 3 362.356 -0.020 20 0 FBADHN O=C(CCc1c[nH]nn1)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001099311417 842426990 /nfs/dbraw/zinc/42/69/90/842426990.db2.gz WPZKQIJJJWSMNH-GMTAPVOTSA-N 0 3 360.340 -0.395 20 0 FBADHN O=C(CCc1c[nH]nn1)N1C[C@@H](C(F)(F)F)[C@H](N[C@H]2CCNC2=O)C1 ZINC001099311418 842427426 /nfs/dbraw/zinc/42/74/26/842427426.db2.gz WPZKQIJJJWSMNH-OUAUKWLOSA-N 0 3 360.340 -0.395 20 0 FBADHN O=C([C@@H]1CCc2nnnn2CC1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099311635 842427590 /nfs/dbraw/zinc/42/75/90/842427590.db2.gz JVFMCZLOLPAHDP-GMTAPVOTSA-N 0 3 362.356 -0.403 20 0 FBADHN O=C([C@H]1CCc2nnnn2CC1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099311636 842427458 /nfs/dbraw/zinc/42/74/58/842427458.db2.gz JVFMCZLOLPAHDP-HBNTYKKESA-N 0 3 362.356 -0.403 20 0 FBADHN Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099311715 842427193 /nfs/dbraw/zinc/42/71/93/842427193.db2.gz NSYIAMRFSJOLRI-MWLCHTKSSA-N 0 3 362.352 -0.064 20 0 FBADHN Cn1nnnc1CN[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001099312604 842427473 /nfs/dbraw/zinc/42/74/73/842427473.db2.gz ADLPCZQRNHRXLU-NXEZZACHSA-N 0 3 358.328 -0.345 20 0 FBADHN Cn1nnc(CN[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C(F)(F)F)n1 ZINC001099313411 842427313 /nfs/dbraw/zinc/42/73/13/842427313.db2.gz CVWSKNYGNOMXJZ-NXEZZACHSA-N 0 3 358.328 -0.345 20 0 FBADHN CC(C)c1nnnn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099318175 842428636 /nfs/dbraw/zinc/42/86/36/842428636.db2.gz IMFKTBFOZOVMRH-NXEZZACHSA-N 0 3 350.345 -0.232 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C(F)(F)F ZINC001099321599 842428677 /nfs/dbraw/zinc/42/86/77/842428677.db2.gz DEMDAFABPIPQQF-FXBDTBDDSA-N 0 3 351.325 -0.601 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C(F)(F)F ZINC001099321600 842428650 /nfs/dbraw/zinc/42/86/50/842428650.db2.gz DEMDAFABPIPQQF-SZEHBUNVSA-N 0 3 351.325 -0.601 20 0 FBADHN Cn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)n1 ZINC001099322192 842428686 /nfs/dbraw/zinc/42/86/86/842428686.db2.gz VZXKQALTVKPIKX-MWLCHTKSSA-N 0 3 358.328 -0.301 20 0 FBADHN O=C(c1nc[nH]n1)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCNC2=O)C1 ZINC001099323268 842429855 /nfs/dbraw/zinc/42/98/55/842429855.db2.gz DETQDLOYEIAKQB-RKDXNWHRSA-N 0 3 361.328 -0.578 20 0 FBADHN O=C(c1cnon1)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCNC2=O)C1 ZINC001099323434 842429843 /nfs/dbraw/zinc/42/98/43/842429843.db2.gz MISNZGFDZXPERM-PSASIEDQSA-N 0 3 362.312 -0.313 20 0 FBADHN Cc1cc(C)n(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)c(=O)n1 ZINC001099325842 842429395 /nfs/dbraw/zinc/42/93/95/842429395.db2.gz WWPSQPLFEDUADZ-VXGBXAGGSA-N 0 3 362.352 -0.169 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099326556 842429814 /nfs/dbraw/zinc/42/98/14/842429814.db2.gz LUMXJVZGZXAORD-NXEZZACHSA-N 0 3 364.324 -0.290 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1C(F)(F)F ZINC001099328198 842429717 /nfs/dbraw/zinc/42/97/17/842429717.db2.gz VIMSCGQREHWQJV-IJLUTSLNSA-N 0 3 362.352 -0.007 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1C(F)(F)F ZINC001099328199 842429802 /nfs/dbraw/zinc/42/98/02/842429802.db2.gz VIMSCGQREHWQJV-QJPTWQEYSA-N 0 3 362.352 -0.007 20 0 FBADHN CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099329085 842430569 /nfs/dbraw/zinc/43/05/69/842430569.db2.gz NFKTZAFTFLHJOX-RKDXNWHRSA-N 0 3 366.340 -0.712 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001099330157 842430696 /nfs/dbraw/zinc/43/06/96/842430696.db2.gz IYDPXDUKPFZCFI-IVZWLZJFSA-N 0 3 366.340 -0.712 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001099330158 842430526 /nfs/dbraw/zinc/43/05/26/842430526.db2.gz IYDPXDUKPFZCFI-OPRDCNLKSA-N 0 3 366.340 -0.712 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C(F)(F)F ZINC001099330677 842431153 /nfs/dbraw/zinc/43/11/53/842431153.db2.gz CIDNWUIGQGPUCG-IVZWLZJFSA-N 0 3 366.340 -0.760 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C(F)(F)F ZINC001099330678 842430841 /nfs/dbraw/zinc/43/08/41/842430841.db2.gz CIDNWUIGQGPUCG-OPRDCNLKSA-N 0 3 366.340 -0.760 20 0 FBADHN O=C(c1cn([C@@H]2CCOC2)nn1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099330806 842431192 /nfs/dbraw/zinc/43/11/92/842431192.db2.gz ZKSUBOKWWWNYCY-GMTAPVOTSA-N 0 3 363.340 -0.176 20 0 FBADHN O=C(c1cn([C@H]2CCOC2)nn1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099330807 842430917 /nfs/dbraw/zinc/43/09/17/842430917.db2.gz ZKSUBOKWWWNYCY-HBNTYKKESA-N 0 3 363.340 -0.176 20 0 FBADHN O=C(Cc1nnc[nH]1)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001099331069 842430625 /nfs/dbraw/zinc/43/06/25/842430625.db2.gz AVBSDLQKFUAADZ-NXEZZACHSA-N 0 3 358.328 -0.382 20 0 FBADHN NC(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099331473 842430682 /nfs/dbraw/zinc/43/06/82/842430682.db2.gz KKXLHKVZUMLWKP-GMTAPVOTSA-N 0 3 352.357 -0.109 20 0 FBADHN NC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099331474 842430826 /nfs/dbraw/zinc/43/08/26/842430826.db2.gz KKXLHKVZUMLWKP-MXWKQRLJSA-N 0 3 352.357 -0.109 20 0 FBADHN O=C(Cc1nnc[n-]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001099331529 842430596 /nfs/dbraw/zinc/43/05/96/842430596.db2.gz MXHLJYVLTQYVRX-KXUCPTDWSA-N 0 3 360.340 -0.395 20 0 FBADHN O=C(Cc1nnc[n-]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001099331530 842430473 /nfs/dbraw/zinc/43/04/73/842430473.db2.gz MXHLJYVLTQYVRX-OPRDCNLKSA-N 0 3 360.340 -0.395 20 0 FBADHN O=C([C@@H]1CCC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001099333990 842432378 /nfs/dbraw/zinc/43/23/78/842432378.db2.gz GHYCNGVSEQMCFQ-OUAUKWLOSA-N 0 3 360.340 -0.464 20 0 FBADHN Cc1ccc(=O)n(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@@H](C)O)C2)n1 ZINC001099334414 842431978 /nfs/dbraw/zinc/43/19/78/842431978.db2.gz QJGALUBKUPHZBZ-IJLUTSLNSA-N 0 3 362.352 -0.089 20 0 FBADHN Cc1ccc(=O)n(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@H](C)O)C2)n1 ZINC001099334415 842432232 /nfs/dbraw/zinc/43/22/32/842432232.db2.gz QJGALUBKUPHZBZ-QJPTWQEYSA-N 0 3 362.352 -0.089 20 0 FBADHN Cc1nn(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@@H](C)O)C2)c(=O)n1C ZINC001099336131 842432051 /nfs/dbraw/zinc/43/20/51/842432051.db2.gz JLURZHSLLJBLHR-FBIMIBRVSA-N 0 3 365.356 -0.750 20 0 FBADHN Cc1nn(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@H](C)O)C2)c(=O)n1C ZINC001099336133 842432488 /nfs/dbraw/zinc/43/24/88/842432488.db2.gz JLURZHSLLJBLHR-JMJZKYOTSA-N 0 3 365.356 -0.750 20 0 FBADHN CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099336272 842431994 /nfs/dbraw/zinc/43/19/94/842431994.db2.gz PKNJSAXFOICCKU-IJLUTSLNSA-N 0 3 353.341 -0.795 20 0 FBADHN CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099336273 842432409 /nfs/dbraw/zinc/43/24/09/842432409.db2.gz PKNJSAXFOICCKU-UTUOFQBUSA-N 0 3 353.341 -0.795 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C(F)(F)F ZINC001099338449 842432136 /nfs/dbraw/zinc/43/21/36/842432136.db2.gz AQDRORRPLURDJB-IVZWLZJFSA-N 0 3 366.340 -0.760 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C(F)(F)F ZINC001099338451 842432195 /nfs/dbraw/zinc/43/21/95/842432195.db2.gz AQDRORRPLURDJB-OPRDCNLKSA-N 0 3 366.340 -0.760 20 0 FBADHN NC(=O)N1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC1 ZINC001099338519 842432326 /nfs/dbraw/zinc/43/23/26/842432326.db2.gz BZTPZTKBHXUIJZ-GHMZBOCLSA-N 0 3 352.357 -0.252 20 0 FBADHN O=C(Cn1cncn1)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001099338836 842432150 /nfs/dbraw/zinc/43/21/50/842432150.db2.gz MMFQGECCYNCGAG-GHMZBOCLSA-N 0 3 358.328 -0.451 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C(F)(F)F ZINC001099338976 842431790 /nfs/dbraw/zinc/43/17/90/842431790.db2.gz QNMDZCUEKJANKN-DJLDLDEBSA-N 0 3 361.324 -0.451 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C(F)(F)F ZINC001099338977 842432304 /nfs/dbraw/zinc/43/23/04/842432304.db2.gz QNMDZCUEKJANKN-IWSPIJDZSA-N 0 3 361.324 -0.451 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C(F)(F)F ZINC001099339450 842432518 /nfs/dbraw/zinc/43/25/18/842432518.db2.gz ZINVMXALUCYOLF-IVZWLZJFSA-N 0 3 351.325 -0.505 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C(F)(F)F ZINC001099339451 842432423 /nfs/dbraw/zinc/43/24/23/842432423.db2.gz ZINVMXALUCYOLF-OPRDCNLKSA-N 0 3 351.325 -0.505 20 0 FBADHN CC1(C)NC(=O)N(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1=O ZINC001099339546 842433724 /nfs/dbraw/zinc/43/37/24/842433724.db2.gz UJCWNSLBBNVBEE-RKDXNWHRSA-N 0 3 366.340 -0.712 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C(F)(F)F ZINC001099341346 842433731 /nfs/dbraw/zinc/43/37/31/842433731.db2.gz AMGWUFMYFZMHQP-FXBDTBDDSA-N 0 3 364.324 -0.541 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C(F)(F)F ZINC001099341347 842433211 /nfs/dbraw/zinc/43/32/11/842433211.db2.gz AMGWUFMYFZMHQP-SZEHBUNVSA-N 0 3 364.324 -0.541 20 0 FBADHN Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)c(=O)[nH]c1=O ZINC001099341502 842433740 /nfs/dbraw/zinc/43/37/40/842433740.db2.gz GPYTZIUNFWQKRO-RKDXNWHRSA-N 0 3 350.297 -0.929 20 0 FBADHN O=C(Cc1nc2ncccn2n1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099341645 842433490 /nfs/dbraw/zinc/43/34/90/842433490.db2.gz NOHPZCMBMIAKOM-NXEZZACHSA-N 0 3 358.324 -0.362 20 0 FBADHN CCN[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C(F)(F)F ZINC001099341826 842433431 /nfs/dbraw/zinc/43/34/31/842433431.db2.gz WBMYMVSWCKKDQM-GHMZBOCLSA-N 0 3 357.398 -0.284 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(N)=O)C1 ZINC001099342279 842433086 /nfs/dbraw/zinc/43/30/86/842433086.db2.gz IKJGPWCDXXRBRW-IJLUTSLNSA-N 0 3 366.384 -0.581 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(N)=O)C1 ZINC001099342280 842433386 /nfs/dbraw/zinc/43/33/86/842433386.db2.gz IKJGPWCDXXRBRW-QJPTWQEYSA-N 0 3 366.384 -0.581 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099342689 842433288 /nfs/dbraw/zinc/43/32/88/842433288.db2.gz SVNBGANITFXQGK-JHJVBQTASA-N 0 3 353.385 -0.074 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099342690 842433950 /nfs/dbraw/zinc/43/39/50/842433950.db2.gz SVNBGANITFXQGK-YNEHKIRRSA-N 0 3 353.385 -0.074 20 0 FBADHN CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099346116 837148656 /nfs/dbraw/zinc/14/86/56/837148656.db2.gz ICYZSHLQIKNYKX-IJLUTSLNSA-N 0 3 353.341 -0.795 20 0 FBADHN CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099346117 837148850 /nfs/dbraw/zinc/14/88/50/837148850.db2.gz ICYZSHLQIKNYKX-UTUOFQBUSA-N 0 3 353.341 -0.795 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C(F)(F)F ZINC001099346847 842435100 /nfs/dbraw/zinc/43/51/00/842435100.db2.gz NCILLPOXHJMQBY-IVZWLZJFSA-N 0 3 350.341 -0.303 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C(F)(F)F ZINC001099346850 837149381 /nfs/dbraw/zinc/14/93/81/837149381.db2.gz NCILLPOXHJMQBY-OPRDCNLKSA-N 0 3 350.341 -0.303 20 0 FBADHN Cn1nncc1CNC[C@]12CCC[C@H]1CN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001099441393 842436343 /nfs/dbraw/zinc/43/63/43/842436343.db2.gz IXOVONVJLNBGDM-BBRMVZONSA-N 0 3 367.475 -0.422 20 0 FBADHN O=C([C@H]1CNC(=O)N1)N1C[C@@H]2CCC[C@]2(CNCc2cnns2)C1 ZINC001099486073 842437491 /nfs/dbraw/zinc/43/74/91/842437491.db2.gz KJMMQCHXKBXQLX-NVBFEUDRSA-N 0 3 350.448 -0.062 20 0 FBADHN O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2CCC[C@]2(CNCc2cnns2)C1 ZINC001099486074 842437480 /nfs/dbraw/zinc/43/74/80/842437480.db2.gz KJMMQCHXKBXQLX-WBIUFABUSA-N 0 3 350.448 -0.062 20 0 FBADHN CS(=O)(=O)c1ccc(CNC[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)o1 ZINC001099486848 842437644 /nfs/dbraw/zinc/43/76/44/842437644.db2.gz QYAWQPIIBYEFNH-ZBEGNZNMSA-N 0 3 369.443 -0.113 20 0 FBADHN O=C(CNC1CC(CNC(=O)[C@]23C[C@H]2COC3)C1)Nc1nncs1 ZINC001100346293 852191796 /nfs/dbraw/zinc/19/17/96/852191796.db2.gz ZNIZAJPBRPJJCC-GTVYLXLFSA-N 0 3 351.432 -0.003 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC(NCC(=O)Nc2ccon2)C1 ZINC001100416173 852202815 /nfs/dbraw/zinc/20/28/15/852202815.db2.gz NURCYRHTJQGFLM-QZLRTXKQSA-N 0 3 352.391 -0.099 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC(NCC(=O)Nc2nncs2)C1 ZINC001100416515 852203121 /nfs/dbraw/zinc/20/31/21/852203121.db2.gz ZWDMVFNDOZEGAG-YUVKLTJASA-N 0 3 369.447 -0.235 20 0 FBADHN CS(=O)(=O)CCNC1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001100526132 852219436 /nfs/dbraw/zinc/21/94/36/852219436.db2.gz PFKJXZHGRPOEAQ-NNVWEFMASA-N 0 3 360.476 -0.433 20 0 FBADHN CN(C(=O)CNC1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1)c1nccs1 ZINC001100677214 852243498 /nfs/dbraw/zinc/24/34/98/852243498.db2.gz BAMFWDBMUUDBJN-HCWSGVFWSA-N 0 3 365.459 -0.288 20 0 FBADHN Cc1nnc(NC(=O)CNC2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001100677355 852244946 /nfs/dbraw/zinc/24/49/46/852244946.db2.gz JJJBFIMNCTVAJZ-LXKPXOPUSA-N 0 3 366.447 -0.609 20 0 FBADHN Cc1csc(NC(=O)CNC2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001100677467 852244994 /nfs/dbraw/zinc/24/49/94/852244994.db2.gz OOMHKLFCLUQVIV-HCWSGVFWSA-N 0 3 365.459 -0.004 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC(NCC(=O)Nc2nncs2)C1 ZINC001100677481 852244739 /nfs/dbraw/zinc/24/47/39/852244739.db2.gz PCPWJTQMUXAJHM-BMNUFHGDSA-N 0 3 352.420 -0.918 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC(NCC(=O)Nc2nccs2)C1 ZINC001100677613 852244536 /nfs/dbraw/zinc/24/45/36/852244536.db2.gz WKSJQXUZMWYDPH-LXKPXOPUSA-N 0 3 351.432 -0.313 20 0 FBADHN CC(=O)NCC(=O)N1C[C@H]2CN(CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101111940 842439917 /nfs/dbraw/zinc/43/99/17/842439917.db2.gz GAAAGTHMQIDEEN-PBHICJAKSA-N 0 3 353.467 -0.390 20 0 FBADHN CC(=O)NCC(=O)N1C[C@H]2CN(CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101113054 842440432 /nfs/dbraw/zinc/44/04/32/842440432.db2.gz LCFSCPHSRQUBBI-DYVFJYSZSA-N 0 3 350.419 -0.948 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101115070 842441801 /nfs/dbraw/zinc/44/18/01/842441801.db2.gz PSGIMNNEHTUJHR-JOQOYGCGSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101115071 842441937 /nfs/dbraw/zinc/44/19/37/842441937.db2.gz PSGIMNNEHTUJHR-SIIHOXLZSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101116799 842441954 /nfs/dbraw/zinc/44/19/54/842441954.db2.gz GKSNOKLHXXTLMI-DWQUBVKVSA-N 0 3 350.463 -0.183 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101116800 842441393 /nfs/dbraw/zinc/44/13/93/842441393.db2.gz GKSNOKLHXXTLMI-PNPHSEOMSA-N 0 3 350.463 -0.183 20 0 FBADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101117149 842441251 /nfs/dbraw/zinc/44/12/51/842441251.db2.gz VUXQJBHVBPEPKS-MRRJBJDNSA-N 0 3 351.451 -0.684 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101117150 842442118 /nfs/dbraw/zinc/44/21/18/842442118.db2.gz VUXQJBHVBPEPKS-QEORTHHSSA-N 0 3 351.451 -0.684 20 0 FBADHN C[C@@]12CN(C[C@@H](O)CC(F)(F)F)C[C@@H]1CN(C(=O)Cn1cnnn1)C2 ZINC001101118601 842441369 /nfs/dbraw/zinc/44/13/69/842441369.db2.gz YPBOZHXAMABAQT-MDZLAQPJSA-N 0 3 362.356 -0.233 20 0 FBADHN C[C@@]12CN(C[C@H](O)CC(F)(F)F)C[C@@H]1CN(C(=O)Cn1cnnn1)C2 ZINC001101118602 842441726 /nfs/dbraw/zinc/44/17/26/842441726.db2.gz YPBOZHXAMABAQT-WZRBSPASSA-N 0 3 362.356 -0.233 20 0 FBADHN 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20 0 FBADHN CCOCCC(=O)N1C[C@H]2CN(CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC001101169645 842449906 /nfs/dbraw/zinc/44/99/06/842449906.db2.gz POMXPCZLRPLOSV-DYVFJYSZSA-N 0 3 352.435 -0.255 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1C[C@H]2CN(CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171624 842449662 /nfs/dbraw/zinc/44/96/62/842449662.db2.gz GVLYQAMNTMHJNY-FMKPAKJESA-N 0 3 358.508 -0.590 20 0 FBADHN CN1CCC[C@H]1C(=O)N1C[C@H]2CN(CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171625 842449981 /nfs/dbraw/zinc/44/99/81/842449981.db2.gz GVLYQAMNTMHJNY-YCPHGPKFSA-N 0 3 358.508 -0.590 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@]2(C)C1 ZINC001101171785 842449616 /nfs/dbraw/zinc/44/96/16/842449616.db2.gz LHNGKBJOQYDBMB-IGCXYCKISA-N 0 3 351.451 -0.684 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@]2(C)C1 ZINC001101171786 842449784 /nfs/dbraw/zinc/44/97/84/842449784.db2.gz LHNGKBJOQYDBMB-XNJGSVPQSA-N 0 3 351.451 -0.684 20 0 FBADHN Cc1ncc(C(=O)N2C[C@H]3CN(CCNS(C)(=O)=O)C[C@@]3(C)C2)[nH]1 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/nfs/dbraw/zinc/45/61/09/842456109.db2.gz JYRYFKVYVMVTRE-DYVFJYSZSA-N 0 3 353.467 -0.390 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101212855 842455891 /nfs/dbraw/zinc/45/58/91/842455891.db2.gz GVEXZKJZOJFFLO-PPHDSNJXSA-N 0 3 351.451 -0.650 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1C[C@H]2CN(CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101212904 842456311 /nfs/dbraw/zinc/45/63/11/842456311.db2.gz IYNWXOFPINUNJP-AHIWAGSCSA-N 0 3 351.451 -0.554 20 0 FBADHN CNC(=O)CC(=O)N1C[C@H]2CN(CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101213203 842456060 /nfs/dbraw/zinc/45/60/60/842456060.db2.gz YFFAMBQLOBRCKQ-PXAZEXFGSA-N 0 3 350.419 -0.948 20 0 FBADHN C[C@@]12CN(CCNC(=O)C3CC3)C[C@@H]1CN(C(=O)[C@@H]1COC(=O)N1)C2 ZINC001101220145 842458120 /nfs/dbraw/zinc/45/81/20/842458120.db2.gz SPVRWTHXYMTQKY-IGCXYCKISA-N 0 3 350.419 -0.599 20 0 FBADHN C[C@@]12CN(CCNC(=O)C3CC3)C[C@@H]1CN(C(=O)[C@H]1COC(=O)N1)C2 ZINC001101220146 842458490 /nfs/dbraw/zinc/45/84/90/842458490.db2.gz SPVRWTHXYMTQKY-XNJGSVPQSA-N 0 3 350.419 -0.599 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101228036 842459882 /nfs/dbraw/zinc/45/98/82/842459882.db2.gz MCZYTKKNAPYMBG-AHIWAGSCSA-N 0 3 353.467 -0.438 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101228037 842459538 /nfs/dbraw/zinc/45/95/38/842459538.db2.gz MCZYTKKNAPYMBG-XNJGSVPQSA-N 0 3 353.467 -0.438 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101237375 842461764 /nfs/dbraw/zinc/46/17/64/842461764.db2.gz PUQWGKJUZPSNNQ-ZBFHGGJFSA-N 0 3 369.491 -0.360 20 0 FBADHN C[C@@]12CN(C[C@@H](O)CC(F)(F)F)C[C@@H]1CN(C(=O)Cn1ncnn1)C2 ZINC001101241286 842461618 /nfs/dbraw/zinc/46/16/18/842461618.db2.gz ZAZYCRKRQIKIEZ-MDZLAQPJSA-N 0 3 362.356 -0.233 20 0 FBADHN C[C@@]12CN(C[C@H](O)CC(F)(F)F)C[C@@H]1CN(C(=O)Cn1ncnn1)C2 ZINC001101241287 842461787 /nfs/dbraw/zinc/46/17/87/842461787.db2.gz ZAZYCRKRQIKIEZ-WZRBSPASSA-N 0 3 362.356 -0.233 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101256217 842464191 /nfs/dbraw/zinc/46/41/91/842464191.db2.gz KWRXGASERWIGBX-ZBFHGGJFSA-N 0 3 369.491 -0.360 20 0 FBADHN CN(CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101256256 842464928 /nfs/dbraw/zinc/46/49/28/842464928.db2.gz MPZSTULFDPIOAY-ZBFHGGJFSA-N 0 3 369.491 -0.408 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@]2(C)C1 ZINC001101256317 842466209 /nfs/dbraw/zinc/46/62/09/842466209.db2.gz POQMTWCOIRNQAL-IGCXYCKISA-N 0 3 354.451 -0.865 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@]2(C)C1 ZINC001101256318 842467110 /nfs/dbraw/zinc/46/71/10/842467110.db2.gz POQMTWCOIRNQAL-XNJGSVPQSA-N 0 3 354.451 -0.865 20 0 FBADHN Cn1cc(CN2C[C@@H]3CN(C(=O)CCNS(C)(=O)=O)C[C@]3(C)C2)cn1 ZINC001101256457 842466574 /nfs/dbraw/zinc/46/65/74/842466574.db2.gz YIJCFLSFQHKUHJ-ZBFHGGJFSA-N 0 3 369.491 -0.360 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCNC(=O)COC)C[C@]2(C)C1 ZINC001101257607 842466946 /nfs/dbraw/zinc/46/69/46/842466946.db2.gz CPEWOGNFAZJVAT-IGCXYCKISA-N 0 3 354.451 -0.817 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCNC(=O)COC)C[C@]2(C)C1 ZINC001101257608 842466793 /nfs/dbraw/zinc/46/67/93/842466793.db2.gz CPEWOGNFAZJVAT-XNJGSVPQSA-N 0 3 354.451 -0.817 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CN(C)C(=O)C3CC3)C[C@]2(C)C1 ZINC001101257913 842466600 /nfs/dbraw/zinc/46/66/00/842466600.db2.gz SUCNBAPFKLEXFF-GLJUWKHASA-N 0 3 350.463 -0.101 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CN(C)C(=O)C3CC3)C[C@]2(C)C1 ZINC001101257914 842467058 /nfs/dbraw/zinc/46/70/58/842467058.db2.gz SUCNBAPFKLEXFF-LBTNJELSSA-N 0 3 350.463 -0.101 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@H]2CN(CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101259832 842467863 /nfs/dbraw/zinc/46/78/63/842467863.db2.gz MNFWYVLYFUBNPF-DYVFJYSZSA-N 0 3 351.451 -0.682 20 0 FBADHN CCCC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@]2(C)C1 ZINC001101259975 842468421 /nfs/dbraw/zinc/46/84/21/842468421.db2.gz VWYGEPJAOHZMHL-IGCXYCKISA-N 0 3 353.467 -0.260 20 0 FBADHN CCCC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@]2(C)C1 ZINC001101259976 842468499 /nfs/dbraw/zinc/46/84/99/842468499.db2.gz VWYGEPJAOHZMHL-XNJGSVPQSA-N 0 3 353.467 -0.260 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101260003 842467931 /nfs/dbraw/zinc/46/79/31/842467931.db2.gz WZLZYGGSEIJFSP-DYVFJYSZSA-N 0 3 351.451 -0.778 20 0 FBADHN C[C@@]12CN(CCNS(C)(=O)=O)C[C@@H]1CN(C(=O)CCc1cnc[nH]1)C2 ZINC001101260999 842468576 /nfs/dbraw/zinc/46/85/76/842468576.db2.gz XMHGJNNCLVRZBP-CJNGLKHVSA-N 0 3 369.491 -0.328 20 0 FBADHN C[C@@]12CN(CCNS(C)(=O)=O)C[C@@H]1CN(C(=O)CCc1c[nH]cn1)C2 ZINC001101260999 842468573 /nfs/dbraw/zinc/46/85/73/842468573.db2.gz XMHGJNNCLVRZBP-CJNGLKHVSA-N 0 3 369.491 -0.328 20 0 FBADHN CN(C)C1(C(=O)N2C[C@H]3CN(CC(=O)NC(N)=O)C[C@@]3(C)C2)CCC1 ZINC001101266737 842469533 /nfs/dbraw/zinc/46/95/33/842469533.db2.gz RZDUKNUOMVHSMU-WBMJQRKESA-N 0 3 351.451 -0.554 20 0 FBADHN CN(C)[C@H](C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267725 842470117 /nfs/dbraw/zinc/47/01/17/842470117.db2.gz QEHUVQLGWJDCBW-IFIJOSMWSA-N 0 3 351.451 -0.698 20 0 FBADHN CN(C)[C@@H](C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267726 842469761 /nfs/dbraw/zinc/46/97/61/842469761.db2.gz QEHUVQLGWJDCBW-MRRJBJDNSA-N 0 3 351.451 -0.698 20 0 FBADHN CN(CC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268593 842469465 /nfs/dbraw/zinc/46/94/65/842469465.db2.gz JXLFVSZVHYANFW-PXAZEXFGSA-N 0 3 351.451 -0.554 20 0 FBADHN CC(C)(C(N)=O)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101272312 842469555 /nfs/dbraw/zinc/46/95/55/842469555.db2.gz FSMVPOHYEFYVGM-ACJLOTCBSA-N 0 3 350.463 -0.196 20 0 FBADHN CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277488 842470798 /nfs/dbraw/zinc/47/07/98/842470798.db2.gz JSDMGTNSBGOHRU-ADAWSYLGSA-N 0 3 352.479 -0.378 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2CN(CC(=O)NC(=O)NC)C[C@@]2(C)C1)N(C)C ZINC001101277537 842471533 /nfs/dbraw/zinc/47/15/33/842471533.db2.gz MIBAQGJKRXRCJY-XNJGSVPQSA-N 0 3 353.467 -0.438 20 0 FBADHN CN1CCCC[C@H]1C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279615 842470660 /nfs/dbraw/zinc/47/06/60/842470660.db2.gz RSTSZWBGBDTOQJ-IGCXYCKISA-N 0 3 351.451 -0.554 20 0 FBADHN CN1CCCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279616 842471140 /nfs/dbraw/zinc/47/11/40/842471140.db2.gz RSTSZWBGBDTOQJ-XNJGSVPQSA-N 0 3 351.451 -0.554 20 0 FBADHN COCCCN1C[C@@H]2CN(C(=O)CS(=O)(=O)CCOC)C[C@]2(C)C1 ZINC001101280780 842470539 /nfs/dbraw/zinc/47/05/39/842470539.db2.gz AHUUKWYTJHTSTN-ZBFHGGJFSA-N 0 3 362.492 -0.136 20 0 FBADHN CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CNC(=O)CNC(C)=O)C[C@]2(C)C1 ZINC001101283147 842472671 /nfs/dbraw/zinc/47/26/71/842472671.db2.gz VFNLWLTUFXQSGK-CPUCHLNUSA-N 0 3 356.442 -0.233 20 0 FBADHN CC[C@H](F)CN1C[C@@H]2CN(C(=O)CNC(=O)CNC(C)=O)C[C@]2(C)C1 ZINC001101283148 842472441 /nfs/dbraw/zinc/47/24/41/842472441.db2.gz VFNLWLTUFXQSGK-KEYYUXOJSA-N 0 3 356.442 -0.233 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@]2(C)C1 ZINC001101288586 842474093 /nfs/dbraw/zinc/47/40/93/842474093.db2.gz ZSZOFPNRDHDRKC-USBNGQNGSA-N 0 3 360.405 -0.375 20 0 FBADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@]2(C)C1 ZINC001101288587 842474214 /nfs/dbraw/zinc/47/42/14/842474214.db2.gz ZSZOFPNRDHDRKC-UVWXRNBGSA-N 0 3 360.405 -0.375 20 0 FBADHN COCCOC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@]2(C)C1 ZINC001101289200 842473892 /nfs/dbraw/zinc/47/38/92/842473892.db2.gz BGIXPBNKRHIPAW-IOASZLSFSA-N 0 3 353.423 -0.778 20 0 FBADHN COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@]2(C)C1 ZINC001101289200 842473889 /nfs/dbraw/zinc/47/38/89/842473889.db2.gz BGIXPBNKRHIPAW-IOASZLSFSA-N 0 3 353.423 -0.778 20 0 FBADHN COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@]2(C)C1 ZINC001101289201 842474172 /nfs/dbraw/zinc/47/41/72/842474172.db2.gz BGIXPBNKRHIPAW-WWGRRREGSA-N 0 3 353.423 -0.778 20 0 FBADHN COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@]2(C)C1 ZINC001101289201 842474167 /nfs/dbraw/zinc/47/41/67/842474167.db2.gz BGIXPBNKRHIPAW-WWGRRREGSA-N 0 3 353.423 -0.778 20 0 FBADHN CCS(=O)(=O)NCCCN1C[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@]2(C)C1 ZINC001101289409 842473752 /nfs/dbraw/zinc/47/37/52/842473752.db2.gz NJVGBKWAOXCCJX-DOMZBBRYSA-N 0 3 370.479 -0.472 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@]2(C)C1 ZINC001101289639 842474033 /nfs/dbraw/zinc/47/40/33/842474033.db2.gz ZMQUTFKCRSYFAG-DOMZBBRYSA-N 0 3 370.479 -0.520 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCCCNC(N)=O)C[C@]2(C)C1 ZINC001101294624 842475439 /nfs/dbraw/zinc/47/54/39/842475439.db2.gz UUUUNYATKPTLON-IGCXYCKISA-N 0 3 353.467 -0.131 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCCCNC(N)=O)C[C@]2(C)C1 ZINC001101294625 842475431 /nfs/dbraw/zinc/47/54/31/842475431.db2.gz UUUUNYATKPTLON-XNJGSVPQSA-N 0 3 353.467 -0.131 20 0 FBADHN Cc1cncn1CC(=O)N1C[C@H]2CN(CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101300022 842476908 /nfs/dbraw/zinc/47/69/08/842476908.db2.gz FBLBCISUBZGTKO-ZBFHGGJFSA-N 0 3 369.491 -0.479 20 0 FBADHN CCCCCN1C[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@]2(C)C1 ZINC001101308227 842476535 /nfs/dbraw/zinc/47/65/35/842476535.db2.gz BJLGEGPCXHDTTO-KEYYUXOJSA-N 0 3 371.503 -0.130 20 0 FBADHN CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CNS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101313714 842477969 /nfs/dbraw/zinc/47/79/69/842477969.db2.gz KYHPXIJJKUHLPE-BZPMIXESSA-N 0 3 350.460 -0.431 20 0 FBADHN CC[C@H](F)CN1C[C@@H]2CN(C(=O)CNS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101313715 842478388 /nfs/dbraw/zinc/47/83/88/842478388.db2.gz KYHPXIJJKUHLPE-DYEKYZERSA-N 0 3 350.460 -0.431 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001101313789 842478331 /nfs/dbraw/zinc/47/83/31/842478331.db2.gz NKDUKRUDYHJKKE-CJNGLKHVSA-N 0 3 367.475 -0.584 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001101314178 842478462 /nfs/dbraw/zinc/47/84/62/842478462.db2.gz VWPNAKARBLIKLA-ZBFHGGJFSA-N 0 3 367.475 -0.584 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@H]2CN(CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101318480 842478116 /nfs/dbraw/zinc/47/81/16/842478116.db2.gz APHJSAUNLSGKMB-RISCZKNCSA-N 0 3 356.452 -0.944 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@]2(C)C1 ZINC001101319117 842478598 /nfs/dbraw/zinc/47/85/98/842478598.db2.gz PTUCPKWSMSFHBW-DOMZBBRYSA-N 0 3 370.479 -0.554 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@H]2CN(CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101319245 842478534 /nfs/dbraw/zinc/47/85/34/842478534.db2.gz UGDTWRJQWPXQJD-DOMZBBRYSA-N 0 3 355.464 -0.058 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101325010 842479529 /nfs/dbraw/zinc/47/95/29/842479529.db2.gz BSNQGCMRUKEYJX-AHIWAGSCSA-N 0 3 351.451 -0.697 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101325011 842479416 /nfs/dbraw/zinc/47/94/16/842479416.db2.gz BSNQGCMRUKEYJX-XNJGSVPQSA-N 0 3 351.451 -0.697 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101325148 842480488 /nfs/dbraw/zinc/48/04/88/842480488.db2.gz IIGAKWXAOWSJFY-IYOUNJFTSA-N 0 3 350.463 -0.099 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@H]2CN(CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101325149 842479623 /nfs/dbraw/zinc/47/96/23/842479623.db2.gz IIGAKWXAOWSJFY-LBTNJELSSA-N 0 3 350.463 -0.099 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101325319 842480235 /nfs/dbraw/zinc/48/02/35/842480235.db2.gz OGHOZMJLXUDJHN-DFHBCGBQSA-N 0 3 350.463 -0.196 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101325320 842479610 /nfs/dbraw/zinc/47/96/10/842479610.db2.gz OGHOZMJLXUDJHN-WRSAYESZSA-N 0 3 350.463 -0.196 20 0 FBADHN Cn1nnc(C(=O)N2C[C@H]3CN(C[C@H](O)CC(F)(F)F)C[C@@]3(C)C2)n1 ZINC001101327225 842480165 /nfs/dbraw/zinc/48/01/65/842480165.db2.gz SMILPPNKBIQHCC-BREBYQMCSA-N 0 3 362.356 -0.083 20 0 FBADHN Cn1nnc(C(=O)N2C[C@H]3CN(C[C@@H](O)CC(F)(F)F)C[C@@]3(C)C2)n1 ZINC001101327226 842480140 /nfs/dbraw/zinc/48/01/40/842480140.db2.gz SMILPPNKBIQHCC-NRUUGDAUSA-N 0 3 362.356 -0.083 20 0 FBADHN COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001101334556 842481977 /nfs/dbraw/zinc/48/19/77/842481977.db2.gz NRLJIMUUJPFAFU-IGCXYCKISA-N 0 3 350.419 -0.108 20 0 FBADHN COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001101334556 842481972 /nfs/dbraw/zinc/48/19/72/842481972.db2.gz NRLJIMUUJPFAFU-IGCXYCKISA-N 0 3 350.419 -0.108 20 0 FBADHN COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001101334557 842481721 /nfs/dbraw/zinc/48/17/21/842481721.db2.gz NRLJIMUUJPFAFU-XNJGSVPQSA-N 0 3 350.419 -0.108 20 0 FBADHN COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001101334557 842481715 /nfs/dbraw/zinc/48/17/15/842481715.db2.gz NRLJIMUUJPFAFU-XNJGSVPQSA-N 0 3 350.419 -0.108 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101334598 842481562 /nfs/dbraw/zinc/48/15/62/842481562.db2.gz PEDXKALUDUEUOT-DYVFJYSZSA-N 0 3 350.419 -0.107 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101334598 842481561 /nfs/dbraw/zinc/48/15/61/842481561.db2.gz PEDXKALUDUEUOT-DYVFJYSZSA-N 0 3 350.419 -0.107 20 0 FBADHN Cn1[n-]c(CN2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)nc1=O ZINC001101341208 842481019 /nfs/dbraw/zinc/48/10/19/842481019.db2.gz AWWQSBBEBQEHHK-DYVFJYSZSA-N 0 3 350.467 -0.270 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC001101346055 842483382 /nfs/dbraw/zinc/48/33/82/842483382.db2.gz SWBCRKKAVWRTCT-JMSVASOKSA-N 0 3 360.480 -0.901 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC001101346056 842482950 /nfs/dbraw/zinc/48/29/50/842482950.db2.gz SWBCRKKAVWRTCT-XUJVJEKNSA-N 0 3 360.480 -0.901 20 0 FBADHN Cn1cc(CN2C[C@@H]3CN(C(=O)CCCS(N)(=O)=O)C[C@]3(C)C2)cn1 ZINC001101346178 842482689 /nfs/dbraw/zinc/48/26/89/842482689.db2.gz ZEQMZHOYIXSLME-ZBFHGGJFSA-N 0 3 369.491 -0.231 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101359687 842484197 /nfs/dbraw/zinc/48/41/97/842484197.db2.gz KKJHGPBQVUZWFY-RKVPGOIHSA-N 0 3 353.463 -0.046 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101359688 842484722 /nfs/dbraw/zinc/48/47/22/842484722.db2.gz KKJHGPBQVUZWFY-VKJFTORMSA-N 0 3 353.463 -0.046 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101360049 842484559 /nfs/dbraw/zinc/48/45/59/842484559.db2.gz XLMNLKUJOSXZEJ-CPUCHLNUSA-N 0 3 354.451 -0.547 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101360050 842484434 /nfs/dbraw/zinc/48/44/34/842484434.db2.gz XLMNLKUJOSXZEJ-KEYYUXOJSA-N 0 3 354.451 -0.547 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363623 842486083 /nfs/dbraw/zinc/48/60/83/842486083.db2.gz YXOSTCVGZMAHKS-AHIWAGSCSA-N 0 3 351.451 -0.554 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363624 842486958 /nfs/dbraw/zinc/48/69/58/842486958.db2.gz YXOSTCVGZMAHKS-XNJGSVPQSA-N 0 3 351.451 -0.554 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@H]3CN(CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363863 842485825 /nfs/dbraw/zinc/48/58/25/842485825.db2.gz CNUKYBZZDLYXEX-AHIWAGSCSA-N 0 3 351.451 -0.697 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@H]3CN(CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363864 842487049 /nfs/dbraw/zinc/48/70/49/842487049.db2.gz CNUKYBZZDLYXEX-XNJGSVPQSA-N 0 3 351.451 -0.697 20 0 FBADHN CC[C@@H](C(=O)N1C[C@H]2CN(CC(=O)NC(=O)NC)C[C@@]2(C)C1)N(C)C ZINC001101365843 842486638 /nfs/dbraw/zinc/48/66/38/842486638.db2.gz MIBAQGJKRXRCJY-IGCXYCKISA-N 0 3 353.467 -0.438 20 0 FBADHN C[C@@]12CN(CCNS(C)(=O)=O)C[C@@H]1CN(C(=O)CCc1c[nH]nn1)C2 ZINC001101367842 842485927 /nfs/dbraw/zinc/48/59/27/842485927.db2.gz OKXVYWHKIFVNLE-DOMZBBRYSA-N 0 3 370.479 -0.933 20 0 FBADHN C[C@@]12CN(CCNS(C)(=O)=O)C[C@@H]1CN(C(=O)CCc1cn[nH]n1)C2 ZINC001101367842 842485922 /nfs/dbraw/zinc/48/59/22/842485922.db2.gz OKXVYWHKIFVNLE-DOMZBBRYSA-N 0 3 370.479 -0.933 20 0 FBADHN C[C@@]12CN(CCCS(C)(=O)=O)C[C@@H]1CN(C(=O)CCc1c[nH]nn1)C2 ZINC001101367923 842486237 /nfs/dbraw/zinc/48/62/37/842486237.db2.gz SIANHGCLIPSMLX-CJNGLKHVSA-N 0 3 369.491 -0.048 20 0 FBADHN C[C@@]12CN(CCCS(C)(=O)=O)C[C@@H]1CN(C(=O)CCc1cn[nH]n1)C2 ZINC001101367923 842486230 /nfs/dbraw/zinc/48/62/30/842486230.db2.gz SIANHGCLIPSMLX-CJNGLKHVSA-N 0 3 369.491 -0.048 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101375285 842488128 /nfs/dbraw/zinc/48/81/28/842488128.db2.gz LBKZLRONUYMJST-BJJXKVORSA-N 0 3 369.491 -0.362 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101375286 842487793 /nfs/dbraw/zinc/48/77/93/842487793.db2.gz LBKZLRONUYMJST-XPKDYRNWSA-N 0 3 369.491 -0.362 20 0 FBADHN CC[C@H](F)CN1C[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)C[C@]2(C)C1 ZINC001101378283 842487663 /nfs/dbraw/zinc/48/76/63/842487663.db2.gz VLFYKJMVDCSISB-IPYPFGDCSA-N 0 3 364.487 -0.089 20 0 FBADHN CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)C[C@]2(C)C1 ZINC001101378285 842487709 /nfs/dbraw/zinc/48/77/09/842487709.db2.gz VLFYKJMVDCSISB-NFAWXSAZSA-N 0 3 364.487 -0.089 20 0 FBADHN CN(C)C(=O)CC(=O)N1C[C@H]2CN(CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101385627 842489401 /nfs/dbraw/zinc/48/94/01/842489401.db2.gz FVONHQRAIUPYCB-KDOFPFPSSA-N 0 3 350.463 -0.133 20 0 FBADHN CN(C)C(=O)CC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101387097 842489078 /nfs/dbraw/zinc/48/90/78/842489078.db2.gz QGYNOAQPUJCNNL-DYVFJYSZSA-N 0 3 351.451 -0.730 20 0 FBADHN CN(C)C(=O)CC(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101387890 842490494 /nfs/dbraw/zinc/49/04/94/842490494.db2.gz BHVPLKYGWMQIFK-KDOFPFPSSA-N 0 3 350.463 -0.229 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@H]3CN([C@@H](C)C(=O)N(C)C)C[C@@]3(C)C2)CC1 ZINC001101392815 842492282 /nfs/dbraw/zinc/49/22/82/842492282.db2.gz GLQRUUTYGMUGLN-AHIWAGSCSA-N 0 3 350.463 -0.230 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@H]3CN([C@H](C)C(=O)N(C)C)C[C@@]3(C)C2)CC1 ZINC001101392816 842492908 /nfs/dbraw/zinc/49/29/08/842492908.db2.gz GLQRUUTYGMUGLN-XNJGSVPQSA-N 0 3 350.463 -0.230 20 0 FBADHN CCNC(=O)CN1C[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@]2(C)C1 ZINC001101393111 842492047 /nfs/dbraw/zinc/49/20/47/842492047.db2.gz WCANOTXZEMKYFQ-QAPCUYQASA-N 0 3 352.479 -0.375 20 0 FBADHN CCS(=O)(=O)NCCCN1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1 ZINC001101396780 842492923 /nfs/dbraw/zinc/49/29/23/842492923.db2.gz KKYPTCKOHPFREO-DOMZBBRYSA-N 0 3 370.479 -0.472 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1 ZINC001101397098 842493807 /nfs/dbraw/zinc/49/38/07/842493807.db2.gz ZUXWHKOINIBHJG-DOMZBBRYSA-N 0 3 370.479 -0.520 20 0 FBADHN CCN(CC)CC(=O)N1C[C@H]2CN(CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101397810 842493970 /nfs/dbraw/zinc/49/39/70/842493970.db2.gz IPMLUZDYBQPWNK-DYVFJYSZSA-N 0 3 353.467 -0.436 20 0 FBADHN CCS(=O)(=O)NCCCN1C[C@@H]2CN(C(=O)c3cnon3)C[C@]2(C)C1 ZINC001101399112 842493866 /nfs/dbraw/zinc/49/38/66/842493866.db2.gz JXEQRVFALIXZGU-DOMZBBRYSA-N 0 3 371.463 -0.207 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CN(C(=O)c3cnon3)C[C@]2(C)C1 ZINC001101399406 842494044 /nfs/dbraw/zinc/49/40/44/842494044.db2.gz YZBJKUDYSRSMJG-DOMZBBRYSA-N 0 3 371.463 -0.255 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(=O)NCC(F)(F)F)C[C@]2(C)C1 ZINC001101405506 842494144 /nfs/dbraw/zinc/49/41/44/842494144.db2.gz BMYHWNMOHPQFJV-BFVZDQMLSA-N 0 3 364.368 -0.291 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(=O)NCC(F)(F)F)C[C@]2(C)C1 ZINC001101405507 842494482 /nfs/dbraw/zinc/49/44/82/842494482.db2.gz BMYHWNMOHPQFJV-RULNRJAQSA-N 0 3 364.368 -0.291 20 0 FBADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@]2(C)C1 ZINC001101410778 842495605 /nfs/dbraw/zinc/49/56/05/842495605.db2.gz KKRJXYIIBKCWMF-DFHBCGBQSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@]2(C)C1 ZINC001101410779 842495730 /nfs/dbraw/zinc/49/57/30/842495730.db2.gz KKRJXYIIBKCWMF-WRSAYESZSA-N 0 3 350.463 -0.230 20 0 FBADHN CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@]2(C)C1 ZINC001101418211 842494963 /nfs/dbraw/zinc/49/49/63/842494963.db2.gz GBYSCQVDXGRMKN-DYVFJYSZSA-N 0 3 350.467 -0.270 20 0 FBADHN CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@]2(C)C1 ZINC001101418211 842494956 /nfs/dbraw/zinc/49/49/56/842494956.db2.gz GBYSCQVDXGRMKN-DYVFJYSZSA-N 0 3 350.467 -0.270 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC(=O)NCC3CC3)C[C@]2(C)C1 ZINC001101425342 842496877 /nfs/dbraw/zinc/49/68/77/842496877.db2.gz GSFHRRPMJBOYHA-GLJUWKHASA-N 0 3 350.463 -0.053 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC(=O)NCC3CC3)C[C@]2(C)C1 ZINC001101425343 842497490 /nfs/dbraw/zinc/49/74/90/842497490.db2.gz GSFHRRPMJBOYHA-LBTNJELSSA-N 0 3 350.463 -0.053 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C3(C(=O)N(C)C)CC3)C[C@]2(C)C1 ZINC001101425378 842497756 /nfs/dbraw/zinc/49/77/56/842497756.db2.gz IHVBHBDIXJELEK-IGCXYCKISA-N 0 3 350.463 -0.101 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C3(C(=O)N(C)C)CC3)C[C@]2(C)C1 ZINC001101425379 842496749 /nfs/dbraw/zinc/49/67/49/842496749.db2.gz IHVBHBDIXJELEK-XNJGSVPQSA-N 0 3 350.463 -0.101 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C3(C(=O)NC)CCC3)C[C@]2(C)C1 ZINC001101441536 842499000 /nfs/dbraw/zinc/49/90/00/842499000.db2.gz YHLNLNMOXRSDGD-IGCXYCKISA-N 0 3 350.463 -0.053 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C3(C(=O)NC)CCC3)C[C@]2(C)C1 ZINC001101441539 842499076 /nfs/dbraw/zinc/49/90/76/842499076.db2.gz YHLNLNMOXRSDGD-XNJGSVPQSA-N 0 3 350.463 -0.053 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CN(CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101444031 842499030 /nfs/dbraw/zinc/49/90/30/842499030.db2.gz UTCORNSMTKYECK-DYVFJYSZSA-N 0 3 353.467 -0.436 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101449915 842500609 /nfs/dbraw/zinc/50/06/09/842500609.db2.gz SIGUDZCPGNQZNC-ZBFHGGJFSA-N 0 3 369.491 -0.408 20 0 FBADHN C[C@@]12CN(CCNC(=O)C3CC3)C[C@@H]1CN(C(=O)CCNC(N)=O)C2 ZINC001101457185 842502127 /nfs/dbraw/zinc/50/21/27/842502127.db2.gz CCDDUNVWWXFXJH-DYVFJYSZSA-N 0 3 351.451 -0.649 20 0 FBADHN C[C@@]12CN(CCN3CCCC3=O)C[C@@H]1CN(C(=O)CCNC(N)=O)C2 ZINC001101457436 842502360 /nfs/dbraw/zinc/50/23/60/842502360.db2.gz KUJUUMWRAVDOMG-DYVFJYSZSA-N 0 3 351.451 -0.553 20 0 FBADHN CCCC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 ZINC001101457828 842501766 /nfs/dbraw/zinc/50/17/66/842501766.db2.gz TZFYXAHSXLODCR-IGCXYCKISA-N 0 3 353.467 -0.131 20 0 FBADHN CCCC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 ZINC001101457829 842502256 /nfs/dbraw/zinc/50/22/56/842502256.db2.gz TZFYXAHSXLODCR-XNJGSVPQSA-N 0 3 353.467 -0.131 20 0 FBADHN Cc1nccn1CC(=O)N1C[C@H]2CN(CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101461417 842501967 /nfs/dbraw/zinc/50/19/67/842501967.db2.gz ADLIGFPSNDNOKZ-ZBFHGGJFSA-N 0 3 369.491 -0.479 20 0 FBADHN C[C@@]12CN(CCNS(C)(=O)=O)C[C@@H]1CN(C(=O)CN1CCCC1)C2 ZINC001101461679 842501921 /nfs/dbraw/zinc/50/19/21/842501921.db2.gz OFWZDGSRPDWDNB-ZBFHGGJFSA-N 0 3 358.508 -0.588 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)CN3CCCC3)C[C@]2(C)C1 ZINC001101461760 842503614 /nfs/dbraw/zinc/50/36/14/842503614.db2.gz SEERDCFRMZJFER-DYVFJYSZSA-N 0 3 351.451 -0.682 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001101463700 842504138 /nfs/dbraw/zinc/50/41/38/842504138.db2.gz BWNAVVJAGMEHDJ-ZBFHGGJFSA-N 0 3 352.460 -0.089 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001101463900 842504229 /nfs/dbraw/zinc/50/42/29/842504229.db2.gz KABGUISPOMLLCT-CJNGLKHVSA-N 0 3 352.460 -0.089 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3cn(C)nc3C)C[C@@]2(C)C1 ZINC001101463944 842504197 /nfs/dbraw/zinc/50/41/97/842504197.db2.gz NEFVEAYBPUTFJU-ZBFHGGJFSA-N 0 3 369.491 -0.442 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101464150 842503513 /nfs/dbraw/zinc/50/35/13/842503513.db2.gz URPGDENOKDEBQG-HIFRSBDPSA-N 0 3 355.464 -0.750 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CN(CCOCC(F)F)C[C@@]2(C)C1 ZINC001101465616 842506668 /nfs/dbraw/zinc/50/66/68/842506668.db2.gz QEAAUWSAGNSIHD-RISCZKNCSA-N 0 3 369.434 -0.402 20 0 FBADHN CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@]2(C)C1 ZINC001101469311 842508401 /nfs/dbraw/zinc/50/84/01/842508401.db2.gz KRLCOBDTLYRMDQ-RKVPGOIHSA-N 0 3 352.479 -0.377 20 0 FBADHN CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@]2(C)C1 ZINC001101469312 842507960 /nfs/dbraw/zinc/50/79/60/842507960.db2.gz KRLCOBDTLYRMDQ-VKJFTORMSA-N 0 3 352.479 -0.377 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(C)(C)NC(=O)NC)C[C@]2(C)C1 ZINC001101475101 842508501 /nfs/dbraw/zinc/50/85/01/842508501.db2.gz MHTFWJRGOKAZER-PEBVRCNWSA-N 0 3 353.467 -0.262 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(C)(C)NC(=O)NC)C[C@]2(C)C1 ZINC001101475102 842508194 /nfs/dbraw/zinc/50/81/94/842508194.db2.gz MHTFWJRGOKAZER-QFSBIZTOSA-N 0 3 353.467 -0.262 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CNC(=O)C3CCC3)C[C@]2(C)C1 ZINC001101475163 842508334 /nfs/dbraw/zinc/50/83/34/842508334.db2.gz PUTHORHPJWRDPI-GLJUWKHASA-N 0 3 350.463 -0.053 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CNC(=O)C3CCC3)C[C@]2(C)C1 ZINC001101475164 842508260 /nfs/dbraw/zinc/50/82/60/842508260.db2.gz PUTHORHPJWRDPI-LBTNJELSSA-N 0 3 350.463 -0.053 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477455 842509617 /nfs/dbraw/zinc/50/96/17/842509617.db2.gz VGTURJDIRXMVJW-DYVFJYSZSA-N 0 3 353.467 -0.438 20 0 FBADHN C[C@@]12CN(CCNC(=O)C3CC3)C[C@@H]1CN(C(=O)CCCC(N)=O)C2 ZINC001101489117 842511228 /nfs/dbraw/zinc/51/12/28/842511228.db2.gz PIAGIDHHVHKJHL-KDOFPFPSSA-N 0 3 350.463 -0.052 20 0 FBADHN C[C@@]12CN(CCN3CCNC3=O)C[C@@H]1CN(C(=O)CCCC(N)=O)C2 ZINC001101491145 842512720 /nfs/dbraw/zinc/51/27/20/842512720.db2.gz LQVJYRPYKYVMRF-DYVFJYSZSA-N 0 3 351.451 -0.553 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C1CCOCC1 ZINC001101658081 842512504 /nfs/dbraw/zinc/51/25/04/842512504.db2.gz DOXLFNIKHZIPGF-UKRRQHHQSA-N 0 3 361.508 -0.012 20 0 FBADHN COCC(=O)NC[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@H]1C ZINC001101658256 842512157 /nfs/dbraw/zinc/51/21/57/842512157.db2.gz LYXRSYJOHUMZLT-HZSPNIEDSA-N 0 3 354.451 -0.959 20 0 FBADHN COCC(=O)NC[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H]1C ZINC001101658257 842512801 /nfs/dbraw/zinc/51/28/01/842512801.db2.gz LYXRSYJOHUMZLT-MGPQQGTHSA-N 0 3 354.451 -0.959 20 0 FBADHN COCC(=O)NC[C@@H]1CN(CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1C ZINC001101662332 842512687 /nfs/dbraw/zinc/51/26/87/842512687.db2.gz DRBFSQAYYSITED-TZMCWYRMSA-N 0 3 354.451 -0.959 20 0 FBADHN COCC(=O)NC[C@@H]1CN(CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1C ZINC001101663865 842514426 /nfs/dbraw/zinc/51/44/26/842514426.db2.gz ZWSDIWONBCNEIC-UKRRQHHQSA-N 0 3 354.451 -0.992 20 0 FBADHN CC(=O)N1CCN(C(=O)CN2C[C@@H](CNC(=O)C(F)F)[C@H](C)C2)CC1 ZINC001101665993 842514808 /nfs/dbraw/zinc/51/48/08/842514808.db2.gz PWMBXCULYKWCNM-DGCLKSJQSA-N 0 3 360.405 -0.374 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@H]1CNC(=O)C(F)F ZINC001101666225 842514397 /nfs/dbraw/zinc/51/43/97/842514397.db2.gz ZRLMNYBHPKFQKT-GRYCIOLGSA-N 0 3 360.405 -0.341 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H]1CNC(=O)C(F)F ZINC001101666226 842514055 /nfs/dbraw/zinc/51/40/55/842514055.db2.gz ZRLMNYBHPKFQKT-IJLUTSLNSA-N 0 3 360.405 -0.341 20 0 FBADHN COCCC(=O)NC[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001101667148 842514489 /nfs/dbraw/zinc/51/44/89/842514489.db2.gz PPZFEXCUWOVSSY-CHWSQXEVSA-N 0 3 352.435 -0.695 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1CNC(=O)C(F)F ZINC001101670651 842514783 /nfs/dbraw/zinc/51/47/83/842514783.db2.gz GATFNGGZIWTROR-ZYHUDNBSSA-N 0 3 360.405 -0.341 20 0 FBADHN C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1CNC(=O)C(C)(F)F ZINC001101680772 842514313 /nfs/dbraw/zinc/51/43/13/842514313.db2.gz CVBNLQQXRIOKGF-GHMZBOCLSA-N 0 3 358.389 -0.077 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cnccn1 ZINC001101682927 842513819 /nfs/dbraw/zinc/51/38/19/842513819.db2.gz HBWQTKLXYALZCX-CHWSQXEVSA-N 0 3 355.464 -0.334 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101684379 842513669 /nfs/dbraw/zinc/51/36/69/842513669.db2.gz CBIOGBHYYSCIPY-BPLDGKMQSA-N 0 3 359.492 -0.369 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101684380 842514347 /nfs/dbraw/zinc/51/43/47/842514347.db2.gz CBIOGBHYYSCIPY-VHDGCEQUSA-N 0 3 359.492 -0.369 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001101684399 842514726 /nfs/dbraw/zinc/51/47/26/842514726.db2.gz DBYUPQAKGJEHFW-IUODEOHRSA-N 0 3 359.492 -0.369 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001101684800 842515487 /nfs/dbraw/zinc/51/54/87/842515487.db2.gz QRLCFBDMEAGAHN-XNRPHZJLSA-N 0 3 350.463 -0.040 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001101684801 842516008 /nfs/dbraw/zinc/51/60/08/842516008.db2.gz QRLCFBDMEAGAHN-XPKDYRNWSA-N 0 3 350.463 -0.040 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001101684807 842516421 /nfs/dbraw/zinc/51/64/21/842516421.db2.gz QTQXKXPVQTWBCZ-TZMCWYRMSA-N 0 3 355.483 -0.096 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001101684843 842515358 /nfs/dbraw/zinc/51/53/58/842515358.db2.gz RGPABBJTZVNVJJ-BPLDGKMQSA-N 0 3 359.492 -0.369 20 0 FBADHN CC(=O)NCC(=O)NC[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001101684844 842515466 /nfs/dbraw/zinc/51/54/66/842515466.db2.gz RGPABBJTZVNVJJ-VHDGCEQUSA-N 0 3 359.492 -0.369 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CNC(C)=O)[C@H](C)C1 ZINC001101686513 842515894 /nfs/dbraw/zinc/51/58/94/842515894.db2.gz YAFRRWIHDUDECK-UMVBOHGHSA-N 0 3 356.467 -0.652 20 0 FBADHN COCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CNC(C)=O)[C@H](C)C1 ZINC001101686514 842516475 /nfs/dbraw/zinc/51/64/75/842516475.db2.gz YAFRRWIHDUDECK-VNHYZAJKSA-N 0 3 356.467 -0.652 20 0 FBADHN Cc1cnc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)cn1 ZINC001101690253 842515323 /nfs/dbraw/zinc/51/53/23/842515323.db2.gz QVMHOFYPWOCMCE-TZMCWYRMSA-N 0 3 369.491 -0.026 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C1=COCCO1 ZINC001101691143 842515587 /nfs/dbraw/zinc/51/55/87/842515587.db2.gz HYFKSDVJMLGQRM-CHWSQXEVSA-N 0 3 361.464 -0.550 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001101692221 842515254 /nfs/dbraw/zinc/51/52/54/842515254.db2.gz FYCFJOUPOZWWOX-UKRRQHHQSA-N 0 3 370.475 -0.491 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2=COCCO2)[C@H](C)C1 ZINC001101692468 842516551 /nfs/dbraw/zinc/51/65/51/842516551.db2.gz QOBADZWEXCMAHF-GRYCIOLGSA-N 0 3 354.407 -0.597 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2=COCCO2)[C@H](C)C1 ZINC001101692469 842516202 /nfs/dbraw/zinc/51/62/02/842516202.db2.gz QOBADZWEXCMAHF-IJLUTSLNSA-N 0 3 354.407 -0.597 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](C)C1 ZINC001101692597 842515796 /nfs/dbraw/zinc/51/57/96/842515796.db2.gz WPNFUTJJKDBXBW-KXUCPTDWSA-N 0 3 350.379 -0.937 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](C)C1 ZINC001101692598 842516135 /nfs/dbraw/zinc/51/61/35/842516135.db2.gz WPNFUTJJKDBXBW-OPRDCNLKSA-N 0 3 350.379 -0.937 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001101693437 842515953 /nfs/dbraw/zinc/51/59/53/842515953.db2.gz LFFSTVVVODBZOH-GHMZBOCLSA-N 0 3 357.436 -0.971 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001101693504 842515414 /nfs/dbraw/zinc/51/54/14/842515414.db2.gz NVQRPRLSHJSBRV-VXGBXAGGSA-N 0 3 371.463 -0.629 20 0 FBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001101695354 842516290 /nfs/dbraw/zinc/51/62/90/842516290.db2.gz PZGNCGTUTTVFQJ-UMVBOHGHSA-N 0 3 354.451 -0.946 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001101695355 842515506 /nfs/dbraw/zinc/51/55/06/842515506.db2.gz PZGNCGTUTTVFQJ-VNHYZAJKSA-N 0 3 354.451 -0.946 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101701542 842517036 /nfs/dbraw/zinc/51/70/36/842517036.db2.gz ARXBFDNLHWKDSS-MBNYWOFBSA-N 0 3 362.496 -0.914 20 0 FBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101701543 842517693 /nfs/dbraw/zinc/51/76/93/842517693.db2.gz ARXBFDNLHWKDSS-YRGRVCCFSA-N 0 3 362.496 -0.914 20 0 FBADHN CCOCC(=O)NC[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001101701691 842518158 /nfs/dbraw/zinc/51/81/58/842518158.db2.gz HHRVQRXYVXXVLP-CHWSQXEVSA-N 0 3 352.435 -0.695 20 0 FBADHN CSCC(=O)NC[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001101702059 842517414 /nfs/dbraw/zinc/51/74/14/842517414.db2.gz VTPZPDUABUQBKH-VXGBXAGGSA-N 0 3 354.476 -0.369 20 0 FBADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001101702821 842518078 /nfs/dbraw/zinc/51/80/78/842518078.db2.gz GAGUDBOCWBSLMO-UMVBOHGHSA-N 0 3 355.483 -0.097 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001101702822 842517932 /nfs/dbraw/zinc/51/79/32/842517932.db2.gz GAGUDBOCWBSLMO-VNHYZAJKSA-N 0 3 355.483 -0.097 20 0 FBADHN CSCC(=O)NC[C@@H]1CN(CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1C ZINC001101704841 842518132 /nfs/dbraw/zinc/51/81/32/842518132.db2.gz DVWPLTBJDMKFFW-TZMCWYRMSA-N 0 3 370.519 -0.243 20 0 FBADHN CSCC(=O)NC[C@@H]1CN(CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1C ZINC001101705875 842517742 /nfs/dbraw/zinc/51/77/42/842517742.db2.gz BHVKRNSTTBMNDB-UKRRQHHQSA-N 0 3 370.519 -0.276 20 0 FBADHN CSCC(=O)NC[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@H]1C ZINC001101705999 842518182 /nfs/dbraw/zinc/51/81/82/842518182.db2.gz IIDKWPLUZZBPEZ-HZSPNIEDSA-N 0 3 370.519 -0.243 20 0 FBADHN CSCC(=O)NC[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H]1C ZINC001101706000 842517196 /nfs/dbraw/zinc/51/71/96/842517196.db2.gz IIDKWPLUZZBPEZ-MGPQQGTHSA-N 0 3 370.519 -0.243 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)CN1CCCC1=O ZINC001101708318 842517775 /nfs/dbraw/zinc/51/77/75/842517775.db2.gz CVISIRYNNWETMD-HUUCEWRRSA-N 0 3 350.463 -0.085 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cnn(C)c1 ZINC001101708354 842518026 /nfs/dbraw/zinc/51/80/26/842518026.db2.gz FGVKJUGDPXTOEE-CHWSQXEVSA-N 0 3 357.480 -0.391 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CN2CCCC2=O)[C@H](C)C1 ZINC001101708377 842517601 /nfs/dbraw/zinc/51/76/01/842517601.db2.gz GBEBHODGMPIEII-HZSPNIEDSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CN2CCCC2=O)[C@H](C)C1 ZINC001101708378 842517952 /nfs/dbraw/zinc/51/79/52/842517952.db2.gz GBEBHODGMPIEII-MGPQQGTHSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CN1CCCC1=O ZINC001101708495 842517907 /nfs/dbraw/zinc/51/79/07/842517907.db2.gz LSDMVJYOLCVZFD-ZIAGYGMSSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101709485 842518843 /nfs/dbraw/zinc/51/88/43/842518843.db2.gz FDVVRKRSWVOVNA-HZSPNIEDSA-N 0 3 353.467 -0.260 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101709486 842518668 /nfs/dbraw/zinc/51/86/68/842518668.db2.gz FDVVRKRSWVOVNA-MGPQQGTHSA-N 0 3 353.467 -0.260 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710170 842518888 /nfs/dbraw/zinc/51/88/88/842518888.db2.gz WJQWCDFUQIWQRI-ZIAGYGMSSA-N 0 3 353.467 -0.403 20 0 FBADHN C[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710863 842518997 /nfs/dbraw/zinc/51/89/97/842518997.db2.gz AHLMAPFBFMPWFD-VXGBXAGGSA-N 0 3 356.471 -0.564 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710865 842519432 /nfs/dbraw/zinc/51/94/32/842519432.db2.gz AIXDZQANZSGTDO-FRRDWIJNSA-N 0 3 360.480 -0.836 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710866 842519834 /nfs/dbraw/zinc/51/98/34/842519834.db2.gz AIXDZQANZSGTDO-JHJVBQTASA-N 0 3 360.480 -0.836 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710923 842518720 /nfs/dbraw/zinc/51/87/20/842518720.db2.gz DBUCKEGRPVBOHT-DGCLKSJQSA-N 0 3 360.480 -0.836 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711021 842519084 /nfs/dbraw/zinc/51/90/84/842519084.db2.gz IVPLHIGLCABZBL-BFHYXJOUSA-N 0 3 353.467 -0.403 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711022 842519716 /nfs/dbraw/zinc/51/97/16/842519716.db2.gz IVPLHIGLCABZBL-MGPQQGTHSA-N 0 3 353.467 -0.403 20 0 FBADHN CC(C)N(C(=O)CN1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1)C(C)C ZINC001101711039 842519406 /nfs/dbraw/zinc/51/94/06/842519406.db2.gz JUMQFTHXQGHYLG-ZIAGYGMSSA-N 0 3 355.483 -0.016 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711149 842519288 /nfs/dbraw/zinc/51/92/88/842519288.db2.gz OIOXUAFVWDQTFH-ZIAGYGMSSA-N 0 3 353.467 -0.259 20 0 FBADHN CCCN(CCC)C(=O)CN1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711178 842519791 /nfs/dbraw/zinc/51/97/91/842519791.db2.gz PTNXDIVVIFPMHI-ZIAGYGMSSA-N 0 3 355.483 -0.013 20 0 FBADHN C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711374 842519099 /nfs/dbraw/zinc/51/90/99/842519099.db2.gz YICDZWPJGJSSDE-FRRDWIJNSA-N 0 3 360.480 -0.836 20 0 FBADHN C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711375 842519744 /nfs/dbraw/zinc/51/97/44/842519744.db2.gz YICDZWPJGJSSDE-JHJVBQTASA-N 0 3 360.480 -0.836 20 0 FBADHN C[C@@H](C(=O)N1CCCCC1)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711844 842520890 /nfs/dbraw/zinc/52/08/90/842520890.db2.gz FOXXRGJYWZSGHY-HZSPNIEDSA-N 0 3 353.467 -0.260 20 0 FBADHN C[C@H](C(=O)N1CCCCC1)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711845 842521520 /nfs/dbraw/zinc/52/15/20/842521520.db2.gz FOXXRGJYWZSGHY-MGPQQGTHSA-N 0 3 353.467 -0.260 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711954 842520394 /nfs/dbraw/zinc/52/03/94/842520394.db2.gz KGHFQHZLJJOYRT-ZYHUDNBSSA-N 0 3 355.464 -0.429 20 0 FBADHN C[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101712251 842520709 /nfs/dbraw/zinc/52/07/09/842520709.db2.gz PQHLHWJCZIIZGF-BZPMIXESSA-N 0 3 351.451 -0.508 20 0 FBADHN C[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101712252 842520301 /nfs/dbraw/zinc/52/03/01/842520301.db2.gz PQHLHWJCZIIZGF-YRGRVCCFSA-N 0 3 351.451 -0.508 20 0 FBADHN C[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101712458 842520563 /nfs/dbraw/zinc/52/05/63/842520563.db2.gz WOXABRGBVLORRZ-JHJVBQTASA-N 0 3 353.467 -0.262 20 0 FBADHN C[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101712459 842520899 /nfs/dbraw/zinc/52/08/99/842520899.db2.gz WOXABRGBVLORRZ-UPJWGTAASA-N 0 3 353.467 -0.262 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101713363 842520488 /nfs/dbraw/zinc/52/04/88/842520488.db2.gz KFSPWANXQANQKG-FRRDWIJNSA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101713364 842521213 /nfs/dbraw/zinc/52/12/13/842521213.db2.gz KFSPWANXQANQKG-JHJVBQTASA-N 0 3 353.467 -0.214 20 0 FBADHN CC(C)CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101713777 842521124 /nfs/dbraw/zinc/52/11/24/842521124.db2.gz WQHQUCAVMCMMAW-HZSPNIEDSA-N 0 3 355.483 -0.110 20 0 FBADHN CC(C)CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101713778 842520688 /nfs/dbraw/zinc/52/06/88/842520688.db2.gz WQHQUCAVMCMMAW-MGPQQGTHSA-N 0 3 355.483 -0.110 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101714410 842520337 /nfs/dbraw/zinc/52/03/37/842520337.db2.gz ACSBCNBOUDZGBM-CHWSQXEVSA-N 0 3 352.443 -0.935 20 0 FBADHN C[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101714532 842521042 /nfs/dbraw/zinc/52/10/42/842521042.db2.gz FIIMHWFKNQTRDQ-VXGBXAGGSA-N 0 3 352.830 -0.093 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101714699 842520512 /nfs/dbraw/zinc/52/05/12/842520512.db2.gz LZHGEMLCGGBAAB-DGCLKSJQSA-N 0 3 365.463 -0.411 20 0 FBADHN CCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715546 842521313 /nfs/dbraw/zinc/52/13/13/842521313.db2.gz CGDKLXLIWZDHIN-HZSPNIEDSA-N 0 3 351.455 -0.338 20 0 FBADHN CCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715547 842521108 /nfs/dbraw/zinc/52/11/08/842521108.db2.gz CGDKLXLIWZDHIN-MGPQQGTHSA-N 0 3 351.455 -0.338 20 0 FBADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715715 842521241 /nfs/dbraw/zinc/52/12/41/842521241.db2.gz GHBGNQOGKNMUHY-HZSPNIEDSA-N 0 3 351.455 -0.388 20 0 FBADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715716 842520793 /nfs/dbraw/zinc/52/07/93/842520793.db2.gz GHBGNQOGKNMUHY-MGPQQGTHSA-N 0 3 351.455 -0.388 20 0 FBADHN C[C@H](CN1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1)CS(C)(=O)=O ZINC001101715726 842521358 /nfs/dbraw/zinc/52/13/58/842521358.db2.gz GWVZBQLOKKOKJU-JHJVBQTASA-N 0 3 358.468 -0.962 20 0 FBADHN C[C@@H](CN1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1)CS(C)(=O)=O ZINC001101715727 842520981 /nfs/dbraw/zinc/52/09/81/842520981.db2.gz GWVZBQLOKKOKJU-YNEHKIRRSA-N 0 3 358.468 -0.962 20 0 FBADHN CCN(CC)C(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716050 842520956 /nfs/dbraw/zinc/52/09/56/842520956.db2.gz OMSIGTPJFKSDQZ-HZSPNIEDSA-N 0 3 351.455 -0.386 20 0 FBADHN CCN(CC)C(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716051 842521542 /nfs/dbraw/zinc/52/15/42/842521542.db2.gz OMSIGTPJFKSDQZ-MGPQQGTHSA-N 0 3 351.455 -0.386 20 0 FBADHN CC(C)CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716102 842520995 /nfs/dbraw/zinc/52/09/95/842520995.db2.gz RLTVDCHLYIIGBZ-HZSPNIEDSA-N 0 3 351.455 -0.482 20 0 FBADHN CC(C)CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716103 842520849 /nfs/dbraw/zinc/52/08/49/842520849.db2.gz RLTVDCHLYIIGBZ-MGPQQGTHSA-N 0 3 351.455 -0.482 20 0 FBADHN C[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716197 842520914 /nfs/dbraw/zinc/52/09/14/842520914.db2.gz XJLWXKVGTLITDP-GHMZBOCLSA-N 0 3 350.345 -0.064 20 0 FBADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716211 842522192 /nfs/dbraw/zinc/52/21/92/842522192.db2.gz XSVQQGNQAGVUIM-FRRDWIJNSA-N 0 3 351.455 -0.340 20 0 FBADHN C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716212 842522818 /nfs/dbraw/zinc/52/28/18/842522818.db2.gz XSVQQGNQAGVUIM-JHJVBQTASA-N 0 3 351.455 -0.340 20 0 FBADHN C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716736 842522952 /nfs/dbraw/zinc/52/29/52/842522952.db2.gz IFDGEIXYRJRYPT-HZSPNIEDSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716737 842521975 /nfs/dbraw/zinc/52/19/75/842521975.db2.gz IFDGEIXYRJRYPT-MGPQQGTHSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716992 842522915 /nfs/dbraw/zinc/52/29/15/842522915.db2.gz OOKSPNKASIMDRQ-TZMCWYRMSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101717216 842523135 /nfs/dbraw/zinc/52/31/35/842523135.db2.gz VFDGRFLUROQBMF-HZSPNIEDSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101717217 842522301 /nfs/dbraw/zinc/52/23/01/842522301.db2.gz VFDGRFLUROQBMF-MGPQQGTHSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)CN1CCCC1=O ZINC001101717891 842522525 /nfs/dbraw/zinc/52/25/25/842522525.db2.gz QUQNNGIIYWFCAR-UKRRQHHQSA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN1CCCC1=O ZINC001101717916 842522073 /nfs/dbraw/zinc/52/20/73/842522073.db2.gz SCWQTQOONNPWOB-JHJVBQTASA-N 0 3 350.419 -0.902 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN1CCCC1=O ZINC001101717917 842522713 /nfs/dbraw/zinc/52/27/13/842522713.db2.gz SCWQTQOONNPWOB-UPJWGTAASA-N 0 3 350.419 -0.902 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)CN3CCCC3=O)[C@H](C)C2)C1=O ZINC001101718086 842522140 /nfs/dbraw/zinc/52/21/40/842522140.db2.gz WBGDORWHZKTIQX-KFWWJZLASA-N 0 3 350.463 -0.086 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)CN3CCCC3=O)[C@H](C)C2)C1=O ZINC001101718087 842523083 /nfs/dbraw/zinc/52/30/83/842523083.db2.gz WBGDORWHZKTIQX-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CN1CCCC1=O ZINC001101718127 842522462 /nfs/dbraw/zinc/52/24/62/842522462.db2.gz XMOJFLYIQZUSCL-QLFBSQMISA-N 0 3 371.503 -0.272 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CN1CCCC1=O ZINC001101718128 842522215 /nfs/dbraw/zinc/52/22/15/842522215.db2.gz XMOJFLYIQZUSCL-RBSFLKMASA-N 0 3 371.503 -0.272 20 0 FBADHN Cc1c(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)cnn1C ZINC001101718821 842522852 /nfs/dbraw/zinc/52/28/52/842522852.db2.gz QCDMABIQTXJFDP-TZMCWYRMSA-N 0 3 371.507 -0.082 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)Cn1cccn1 ZINC001101722884 842522397 /nfs/dbraw/zinc/52/23/97/842522397.db2.gz DPNQYVFNEMPEJK-HUUCEWRRSA-N 0 3 369.491 -0.397 20 0 FBADHN Cc1c(C(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)cnn1C ZINC001101723038 842521914 /nfs/dbraw/zinc/52/19/14/842521914.db2.gz JSZPONZKRWILPS-ADEWGFFLSA-N 0 3 350.423 -0.390 20 0 FBADHN Cc1c(C(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)cnn1C ZINC001101723039 842523354 /nfs/dbraw/zinc/52/33/54/842523354.db2.gz JSZPONZKRWILPS-YUSALJHKSA-N 0 3 350.423 -0.390 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cn1cccn1 ZINC001101723183 842522433 /nfs/dbraw/zinc/52/24/33/842522433.db2.gz QJLJVCLLHNPNDK-ZIAGYGMSSA-N 0 3 357.480 -0.541 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCn2cccn2)[C@H](C)C1 ZINC001101728470 842522479 /nfs/dbraw/zinc/52/24/79/842522479.db2.gz XJHMNZWRABACGN-FRRDWIJNSA-N 0 3 350.423 -0.459 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCn2cccn2)[C@H](C)C1 ZINC001101728471 842522002 /nfs/dbraw/zinc/52/20/02/842522002.db2.gz XJHMNZWRABACGN-JHJVBQTASA-N 0 3 350.423 -0.459 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1cncn1 ZINC001101730135 842523212 /nfs/dbraw/zinc/52/32/12/842523212.db2.gz QSQQKVOCZAJZSP-QLFBSQMISA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1cncn1 ZINC001101730136 842523164 /nfs/dbraw/zinc/52/31/64/842523164.db2.gz QSQQKVOCZAJZSP-RBSFLKMASA-N 0 3 369.491 -0.213 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001101737232 842524561 /nfs/dbraw/zinc/52/45/61/842524561.db2.gz DUDZTIZAUJWDSC-UKRRQHHQSA-N 0 3 354.451 -0.992 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101738320 842523783 /nfs/dbraw/zinc/52/37/83/842523783.db2.gz IQTVECDQELPXFT-TZMCWYRMSA-N 0 3 362.496 -0.960 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CCn1cccn1 ZINC001101739249 842524962 /nfs/dbraw/zinc/52/49/62/842524962.db2.gz BSWUMGISDSIJCF-HUUCEWRRSA-N 0 3 371.507 -0.151 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001101740335 842524436 /nfs/dbraw/zinc/52/44/36/842524436.db2.gz DUTICEWKWVWHJY-UKRRQHHQSA-N 0 3 355.483 -0.144 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101740370 842523876 /nfs/dbraw/zinc/52/38/76/842523876.db2.gz GNZPLLAWTISXNJ-GZBFAFLISA-N 0 3 361.508 -0.171 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101740371 842524289 /nfs/dbraw/zinc/52/42/89/842524289.db2.gz GNZPLLAWTISXNJ-UMVBOHGHSA-N 0 3 361.508 -0.171 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101740424 842523847 /nfs/dbraw/zinc/52/38/47/842523847.db2.gz JMPQRZWYTMLEQG-BPLDGKMQSA-N 0 3 359.492 -0.417 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101740425 842524183 /nfs/dbraw/zinc/52/41/83/842524183.db2.gz JMPQRZWYTMLEQG-VHDGCEQUSA-N 0 3 359.492 -0.417 20 0 FBADHN CCc1cc(C(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001101742022 842524530 /nfs/dbraw/zinc/52/45/30/842524530.db2.gz POEILNBVAFCOBW-GMTAPVOTSA-N 0 3 350.423 -0.147 20 0 FBADHN CCc1cc(C(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001101742024 842524700 /nfs/dbraw/zinc/52/47/00/842524700.db2.gz POEILNBVAFCOBW-OUAUKWLOSA-N 0 3 350.423 -0.147 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)[C@@H]2COCCO2)[C@H](C)C1 ZINC001101743035 842523801 /nfs/dbraw/zinc/52/38/01/842523801.db2.gz JDJXZZFTNHPJGC-KFWWJZLASA-N 0 3 356.467 -0.207 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)[C@H]2COCCO2)[C@H](C)C1 ZINC001101743036 842524824 /nfs/dbraw/zinc/52/48/24/842524824.db2.gz JDJXZZFTNHPJGC-RBSFLKMASA-N 0 3 356.467 -0.207 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001101747324 842525992 /nfs/dbraw/zinc/52/59/92/842525992.db2.gz RWENYTTUUPPVPU-BMFZPTHFSA-N 0 3 353.463 -0.046 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001101747325 842525272 /nfs/dbraw/zinc/52/52/72/842525272.db2.gz RWENYTTUUPPVPU-FVQBIDKESA-N 0 3 353.463 -0.046 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)COCC1CC1 ZINC001101758161 842526069 /nfs/dbraw/zinc/52/60/69/842526069.db2.gz DKMOAFDZPKRKIA-GDBMZVCRSA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001101758184 842526201 /nfs/dbraw/zinc/52/62/01/842526201.db2.gz FFMKXLQECANNBN-TZMCWYRMSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)COCC1CC1 ZINC001101758195 842526495 /nfs/dbraw/zinc/52/64/95/842526495.db2.gz FPAJWMCIHAYUMZ-UKRRQHHQSA-N 0 3 361.508 -0.012 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001101758238 842526318 /nfs/dbraw/zinc/52/63/18/842526318.db2.gz HURSQDRQLJMGNP-UKRRQHHQSA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cnns1 ZINC001101760323 842526090 /nfs/dbraw/zinc/52/60/90/842526090.db2.gz DEPAMWXUJZHSHY-GHMZBOCLSA-N 0 3 361.493 -0.273 20 0 FBADHN Cc1ncncc1C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101760574 842525678 /nfs/dbraw/zinc/52/56/78/842525678.db2.gz OFUUZYILNMTMAJ-TZMCWYRMSA-N 0 3 369.491 -0.026 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cnsn1 ZINC001101760832 842525912 /nfs/dbraw/zinc/52/59/12/842525912.db2.gz XTTDFWJSWAZGGS-GHMZBOCLSA-N 0 3 361.493 -0.273 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001101763846 842525940 /nfs/dbraw/zinc/52/59/40/842525940.db2.gz FEFWVZDOSZYDFS-RAIGVLPGSA-N 0 3 350.419 -0.998 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001101763847 842525727 /nfs/dbraw/zinc/52/57/27/842525727.db2.gz FEFWVZDOSZYDFS-RTXFEEFZSA-N 0 3 350.419 -0.998 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001101763964 842525717 /nfs/dbraw/zinc/52/57/17/842525717.db2.gz KBZJFCFWNIIASW-UMVBOHGHSA-N 0 3 371.503 -0.369 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001101763965 842525772 /nfs/dbraw/zinc/52/57/72/842525772.db2.gz KBZJFCFWNIIASW-VNHYZAJKSA-N 0 3 371.503 -0.369 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)CNC(=O)C3CC3)[C@H](C)C2)C1=O ZINC001101764016 842528246 /nfs/dbraw/zinc/52/82/46/842528246.db2.gz MRLRHQGLPAYMBY-BPLDGKMQSA-N 0 3 350.463 -0.183 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)CNC(=O)C3CC3)[C@H](C)C2)C1=O ZINC001101764017 842527080 /nfs/dbraw/zinc/52/70/80/842527080.db2.gz MRLRHQGLPAYMBY-YUELXQCFSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001101764046 842527852 /nfs/dbraw/zinc/52/78/52/842527852.db2.gz NSJHJSQKDUUGJK-IUODEOHRSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CNC(=O)C2CC2)[C@H](C)C1 ZINC001101764063 842527715 /nfs/dbraw/zinc/52/77/15/842527715.db2.gz OVXHRMPNOSVTDB-MBNYWOFBSA-N 0 3 350.463 -0.136 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CNC(=O)C2CC2)[C@H](C)C1 ZINC001101764064 842528297 /nfs/dbraw/zinc/52/82/97/842528297.db2.gz OVXHRMPNOSVTDB-YRGRVCCFSA-N 0 3 350.463 -0.136 20 0 FBADHN Cc1cc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)n(C)n1 ZINC001101767609 842528116 /nfs/dbraw/zinc/52/81/16/842528116.db2.gz FJANVQUEEBRWMI-TZMCWYRMSA-N 0 3 371.507 -0.082 20 0 FBADHN COC(=O)NCC(=O)NC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101767919 842527558 /nfs/dbraw/zinc/52/75/58/842527558.db2.gz PFLLCONKUFDRKM-JHJVBQTASA-N 0 3 363.480 -0.293 20 0 FBADHN COC(=O)NCC(=O)NC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101767920 842527808 /nfs/dbraw/zinc/52/78/08/842527808.db2.gz PFLLCONKUFDRKM-YNEHKIRRSA-N 0 3 363.480 -0.293 20 0 FBADHN Cc1cc(C(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)n(C)n1 ZINC001101768850 842527997 /nfs/dbraw/zinc/52/79/97/842527997.db2.gz HGCJHRFNQIJSRG-ADEWGFFLSA-N 0 3 350.423 -0.390 20 0 FBADHN Cc1cc(C(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)n(C)n1 ZINC001101768851 842527585 /nfs/dbraw/zinc/52/75/85/842527585.db2.gz HGCJHRFNQIJSRG-YUSALJHKSA-N 0 3 350.423 -0.390 20 0 FBADHN Cc1cc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)[nH]n1 ZINC001101768972 842527263 /nfs/dbraw/zinc/52/72/63/842527263.db2.gz MZVDJFCJZSFPQQ-DGCLKSJQSA-N 0 3 357.480 -0.093 20 0 FBADHN Cc1cc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)nn1C ZINC001101769033 842527286 /nfs/dbraw/zinc/52/72/86/842527286.db2.gz QENZIZWYKWXVEG-TZMCWYRMSA-N 0 3 371.507 -0.082 20 0 FBADHN COC(=O)NCC(=O)NC[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001101769512 842527054 /nfs/dbraw/zinc/52/70/54/842527054.db2.gz ISOQNLDYAOVACQ-TZMCWYRMSA-N 0 3 354.451 -0.105 20 0 FBADHN COC(=O)NCC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101769529 842527875 /nfs/dbraw/zinc/52/78/75/842527875.db2.gz JIWZWLHRMLRXPF-FRRDWIJNSA-N 0 3 361.464 -0.539 20 0 FBADHN COC(=O)NCC(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101769530 842528062 /nfs/dbraw/zinc/52/80/62/842528062.db2.gz JIWZWLHRMLRXPF-JHJVBQTASA-N 0 3 361.464 -0.539 20 0 FBADHN COC(=O)NCC(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001101771636 842529366 /nfs/dbraw/zinc/52/93/66/842529366.db2.gz WSVGLVMSWBZLLY-CHWSQXEVSA-N 0 3 357.455 -0.266 20 0 FBADHN CO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001101776150 842528787 /nfs/dbraw/zinc/52/87/87/842528787.db2.gz MNJQNPDZLKRCJF-FRRDWIJNSA-N 0 3 352.435 -0.697 20 0 FBADHN CO[C@H](C)C(=O)NC[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001101776151 842528807 /nfs/dbraw/zinc/52/88/07/842528807.db2.gz MNJQNPDZLKRCJF-JHJVBQTASA-N 0 3 352.435 -0.697 20 0 FBADHN Cc1cnn(CC(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)c1 ZINC001101777876 842529831 /nfs/dbraw/zinc/52/98/31/842529831.db2.gz RUHWWBUOWQAFKF-HUUCEWRRSA-N 0 3 371.507 -0.233 20 0 FBADHN CCCC(=O)NCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101779355 842528992 /nfs/dbraw/zinc/52/89/92/842528992.db2.gz QFYBVUADJKDBAQ-JHJVBQTASA-N 0 3 352.435 -0.608 20 0 FBADHN CCCC(=O)NCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101779356 842529636 /nfs/dbraw/zinc/52/96/36/842529636.db2.gz QFYBVUADJKDBAQ-UPJWGTAASA-N 0 3 352.435 -0.608 20 0 FBADHN CCCC(=O)NCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101781028 842529774 /nfs/dbraw/zinc/52/97/74/842529774.db2.gz ZPJJKGLPYXGXHX-GRYCIOLGSA-N 0 3 355.439 -0.830 20 0 FBADHN CCCC(=O)NCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101781029 842529937 /nfs/dbraw/zinc/52/99/37/842529937.db2.gz ZPJJKGLPYXGXHX-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN Cc1cnn(CC(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)c1 ZINC001101783308 842529237 /nfs/dbraw/zinc/52/92/37/842529237.db2.gz OXXWEFUEAUFCPS-FRRDWIJNSA-N 0 3 350.423 -0.541 20 0 FBADHN Cc1cnn(CC(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)c1 ZINC001101783309 842529679 /nfs/dbraw/zinc/52/96/79/842529679.db2.gz OXXWEFUEAUFCPS-JHJVBQTASA-N 0 3 350.423 -0.541 20 0 FBADHN C[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101785006 842530912 /nfs/dbraw/zinc/53/09/12/842530912.db2.gz VDVZRVQUJRPEAJ-KFWWJZLASA-N 0 3 362.492 -0.089 20 0 FBADHN C[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101785007 842531365 /nfs/dbraw/zinc/53/13/65/842531365.db2.gz VDVZRVQUJRPEAJ-RBSFLKMASA-N 0 3 362.492 -0.089 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1ccnn1C ZINC001101790606 842531293 /nfs/dbraw/zinc/53/12/93/842531293.db2.gz QNBHAAFURNKULO-CHWSQXEVSA-N 0 3 357.480 -0.391 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cc2cnn(C)c2)[C@H](C)C1 ZINC001101802869 842533249 /nfs/dbraw/zinc/53/32/49/842533249.db2.gz LSVSUQBKKCDXNP-NQBHXWOUSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cc2cnn(C)c2)[C@H](C)C1 ZINC001101802870 842533345 /nfs/dbraw/zinc/53/33/45/842533345.db2.gz LSVSUQBKKCDXNP-NTZNESFSSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001101807935 842533382 /nfs/dbraw/zinc/53/33/82/842533382.db2.gz OKBRKIFOVTWOMC-QLFBSQMISA-N 0 3 361.508 -0.012 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001101807936 842533449 /nfs/dbraw/zinc/53/34/49/842533449.db2.gz OKBRKIFOVTWOMC-RBSFLKMASA-N 0 3 361.508 -0.012 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1cnn(C)c1 ZINC001101809497 842532062 /nfs/dbraw/zinc/53/20/62/842532062.db2.gz IUCBGFGOZDVLIB-UKRRQHHQSA-N 0 3 371.507 -0.462 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001101810640 842532797 /nfs/dbraw/zinc/53/27/97/842532797.db2.gz QIXJOXWKKFYKKI-BPLDGKMQSA-N 0 3 350.463 -0.183 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1 ZINC001101810648 842532728 /nfs/dbraw/zinc/53/27/28/842532728.db2.gz QQICANXYWWDEOJ-MGPQQGTHSA-N 0 3 353.467 -0.343 20 0 FBADHN CCNC(=O)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101810776 842532091 /nfs/dbraw/zinc/53/20/91/842532091.db2.gz WKSUSCOYPSMVCF-GRYCIOLGSA-N 0 3 355.439 -0.830 20 0 FBADHN CCNC(=O)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101810777 842532227 /nfs/dbraw/zinc/53/22/27/842532227.db2.gz WKSUSCOYPSMVCF-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN Cc1ncc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)[nH]1 ZINC001101812776 842532520 /nfs/dbraw/zinc/53/25/20/842532520.db2.gz LHKCBQXXZSMTHD-DGCLKSJQSA-N 0 3 357.480 -0.093 20 0 FBADHN CCNC(=O)CCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101813112 842533195 /nfs/dbraw/zinc/53/31/95/842533195.db2.gz ZSUGXQWNYNBXQR-JHJVBQTASA-N 0 3 352.435 -0.608 20 0 FBADHN CCNC(=O)CCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101813113 842532694 /nfs/dbraw/zinc/53/26/94/842532694.db2.gz ZSUGXQWNYNBXQR-UPJWGTAASA-N 0 3 352.435 -0.608 20 0 FBADHN COC[C@H](C)C(=O)NC[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC001101814244 842533477 /nfs/dbraw/zinc/53/34/77/842533477.db2.gz JVJNFEJNTHLPPF-QLFBSQMISA-N 0 3 361.508 -0.012 20 0 FBADHN COC[C@@H](C)C(=O)NC[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC001101814245 842532425 /nfs/dbraw/zinc/53/24/25/842532425.db2.gz JVJNFEJNTHLPPF-RBSFLKMASA-N 0 3 361.508 -0.012 20 0 FBADHN CCN(C(=O)CN1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1)C1CC1 ZINC001101817536 842535131 /nfs/dbraw/zinc/53/51/31/842535131.db2.gz XKHNUBIKMDOWCW-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2cnc(C)[nH]2)[C@H](C)C1 ZINC001101819363 842534530 /nfs/dbraw/zinc/53/45/30/842534530.db2.gz GEXLBJWRJSQQGG-CKYFFXLPSA-N 0 3 350.423 -0.140 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2cnc(C)[nH]2)[C@H](C)C1 ZINC001101819364 842535257 /nfs/dbraw/zinc/53/52/57/842535257.db2.gz GEXLBJWRJSQQGG-JFGNBEQYSA-N 0 3 350.423 -0.140 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CCCN2C)[C@H](C)C1 ZINC001101819745 842534802 /nfs/dbraw/zinc/53/48/02/842534802.db2.gz SPTYHTAVTIDHEG-MCIONIFRSA-N 0 3 353.467 -0.390 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](CNC(=O)[C@H]2CCCN2C)[C@H](C)C1 ZINC001101819746 842534117 /nfs/dbraw/zinc/53/41/17/842534117.db2.gz SPTYHTAVTIDHEG-MGPQQGTHSA-N 0 3 353.467 -0.390 20 0 FBADHN CCC(=O)NCC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101820787 842535153 /nfs/dbraw/zinc/53/51/53/842535153.db2.gz BPJINFUSLNSYQN-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1nccnc1N ZINC001101821043 842534873 /nfs/dbraw/zinc/53/48/73/842534873.db2.gz MKPDCJLWFIORTG-VXGBXAGGSA-N 0 3 370.479 -0.752 20 0 FBADHN Cc1nn(C)cc1C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101821149 842534902 /nfs/dbraw/zinc/53/49/02/842534902.db2.gz QMNNDZHUFYOQAD-TZMCWYRMSA-N 0 3 371.507 -0.082 20 0 FBADHN CCC(=O)NCC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001101821242 842535267 /nfs/dbraw/zinc/53/52/67/842535267.db2.gz VMJFYVZOOZOSLA-ZIAGYGMSSA-N 0 3 354.451 -0.945 20 0 FBADHN CCC(=O)NCC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101822333 842533993 /nfs/dbraw/zinc/53/39/93/842533993.db2.gz MHKBTDMFDTXTEI-HZSPNIEDSA-N 0 3 359.492 -0.369 20 0 FBADHN CCC(=O)NCC(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101822334 842534986 /nfs/dbraw/zinc/53/49/86/842534986.db2.gz MHKBTDMFDTXTEI-MGPQQGTHSA-N 0 3 359.492 -0.369 20 0 FBADHN CCC(=O)NCC(=O)NC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101822441 842534351 /nfs/dbraw/zinc/53/43/51/842534351.db2.gz PASNBHDDWPOKQZ-BFHYXJOUSA-N 0 3 361.508 -0.123 20 0 FBADHN CCC(=O)NCC(=O)NC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101822442 842535319 /nfs/dbraw/zinc/53/53/19/842535319.db2.gz PASNBHDDWPOKQZ-MGPQQGTHSA-N 0 3 361.508 -0.123 20 0 FBADHN CCC(=O)NCC(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001101822711 842534562 /nfs/dbraw/zinc/53/45/62/842534562.db2.gz YSYXUJAKRVMTSX-ZIAGYGMSSA-N 0 3 355.483 -0.096 20 0 FBADHN COCCOCC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001101828711 842536392 /nfs/dbraw/zinc/53/63/92/842536392.db2.gz GWEKVBMPKYAMNL-HUUCEWRRSA-N 0 3 357.451 -0.808 20 0 FBADHN COCCOCC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101830442 842536986 /nfs/dbraw/zinc/53/69/86/842536986.db2.gz QGYIVTDIAURVDH-ZIAGYGMSSA-N 0 3 365.496 -0.775 20 0 FBADHN COCCOCC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101830732 842536608 /nfs/dbraw/zinc/53/66/08/842536608.db2.gz YKVISBZLABFQKL-QLFBSQMISA-N 0 3 362.492 -0.232 20 0 FBADHN COCCOCC(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101830733 842536442 /nfs/dbraw/zinc/53/64/42/842536442.db2.gz YKVISBZLABFQKL-RBSFLKMASA-N 0 3 362.492 -0.232 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)no1 ZINC001101831309 842537248 /nfs/dbraw/zinc/53/72/48/842537248.db2.gz ZRAMSNIVRDSVOA-ADEWGFFLSA-N 0 3 351.407 -0.207 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)no1 ZINC001101831310 842537154 /nfs/dbraw/zinc/53/71/54/842537154.db2.gz ZRAMSNIVRDSVOA-YUSALJHKSA-N 0 3 351.407 -0.207 20 0 FBADHN CCOCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837591 842536066 /nfs/dbraw/zinc/53/60/66/842536066.db2.gz FLTBHENRGVZTFK-HZSPNIEDSA-N 0 3 356.467 -0.523 20 0 FBADHN CCOCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837592 842536197 /nfs/dbraw/zinc/53/61/97/842536197.db2.gz FLTBHENRGVZTFK-MGPQQGTHSA-N 0 3 356.467 -0.523 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001101844005 842539191 /nfs/dbraw/zinc/53/91/91/842539191.db2.gz HNGJZNUTDYKPSR-KFWWJZLASA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001101844006 842538553 /nfs/dbraw/zinc/53/85/53/842538553.db2.gz HNGJZNUTDYKPSR-RBSFLKMASA-N 0 3 354.495 -0.084 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001101844068 842538705 /nfs/dbraw/zinc/53/87/05/842538705.db2.gz JRORQSZYRCJTBE-BZUAXINKSA-N 0 3 354.495 -0.132 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001101844069 842537806 /nfs/dbraw/zinc/53/78/06/842537806.db2.gz JRORQSZYRCJTBE-OAGGEKHMSA-N 0 3 354.495 -0.132 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001101844130 842539416 /nfs/dbraw/zinc/53/94/16/842539416.db2.gz MXELIEQDPXKASA-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001101844131 842539114 /nfs/dbraw/zinc/53/91/14/842539114.db2.gz MXELIEQDPXKASA-OAGGEKHMSA-N 0 3 354.495 -0.083 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001101844388 842538084 /nfs/dbraw/zinc/53/80/84/842538084.db2.gz YJISJAJDRMIDMN-BZUAXINKSA-N 0 3 354.495 -0.131 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001101844389 842539319 /nfs/dbraw/zinc/53/93/19/842539319.db2.gz YJISJAJDRMIDMN-OAGGEKHMSA-N 0 3 354.495 -0.131 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1ccon1 ZINC001101845338 842538441 /nfs/dbraw/zinc/53/84/41/842538441.db2.gz SSESKATWIJUOOQ-CHWSQXEVSA-N 0 3 358.464 -0.207 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)Cc1ccon1 ZINC001101845352 842538236 /nfs/dbraw/zinc/53/82/36/842538236.db2.gz UFVWIVIZURAPQS-ZIAGYGMSSA-N 0 3 350.419 -0.240 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)Cc1ccon1 ZINC001101845440 842539259 /nfs/dbraw/zinc/53/92/59/842539259.db2.gz YGSNGGHMNLIURT-ZIAGYGMSSA-N 0 3 370.475 -0.063 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC001101846976 842538722 /nfs/dbraw/zinc/53/87/22/842538722.db2.gz WYFDXAMVJYNNCH-BZUAXINKSA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[C@@H]1CCOC1 ZINC001101846978 842537710 /nfs/dbraw/zinc/53/77/10/842537710.db2.gz WYFDXAMVJYNNCH-OWCLPIDISA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CCOC1 ZINC001101847082 842539059 /nfs/dbraw/zinc/53/90/59/842539059.db2.gz YGYJMZISTWDOSN-QLFBSQMISA-N 0 3 361.508 -0.012 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC001101847084 842538830 /nfs/dbraw/zinc/53/88/30/842538830.db2.gz YGYJMZISTWDOSN-RBSFLKMASA-N 0 3 361.508 -0.012 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001101848245 842538624 /nfs/dbraw/zinc/53/86/24/842538624.db2.gz NZIOZFDFLUBYBZ-CHWSQXEVSA-N 0 3 357.480 -0.472 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001101848471 842541285 /nfs/dbraw/zinc/54/12/85/842541285.db2.gz USMNXNJSYXHJAU-ZIAGYGMSSA-N 0 3 369.491 -0.328 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001101849555 842540226 /nfs/dbraw/zinc/54/02/26/842540226.db2.gz LPFZDTQNRVGZSN-CHWSQXEVSA-N 0 3 370.475 -0.024 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001101849737 842539967 /nfs/dbraw/zinc/53/99/67/842539967.db2.gz QYHATRXXRQQZQP-VXGBXAGGSA-N 0 3 356.448 -0.366 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001101865700 842541159 /nfs/dbraw/zinc/54/11/59/842541159.db2.gz XKHYDVIUFIOIOJ-HZSPNIEDSA-N 0 3 369.491 -0.144 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001101865701 842541417 /nfs/dbraw/zinc/54/14/17/842541417.db2.gz XKHYDVIUFIOIOJ-MGPQQGTHSA-N 0 3 369.491 -0.144 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1nc[nH]n1 ZINC001101866243 842540720 /nfs/dbraw/zinc/54/07/20/842540720.db2.gz AVBQDXCDEFQEDW-CHWSQXEVSA-N 0 3 357.480 -0.144 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001101868509 842540656 /nfs/dbraw/zinc/54/06/56/842540656.db2.gz AJXNBBSXRKQATG-DGCLKSJQSA-N 0 3 356.448 -0.366 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001101868596 842540854 /nfs/dbraw/zinc/54/08/54/842540854.db2.gz FCZXDXDBCHNWES-BPLDGKMQSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001101868597 842541387 /nfs/dbraw/zinc/54/13/87/842541387.db2.gz FCZXDXDBCHNWES-VHDGCEQUSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001101869665 842540306 /nfs/dbraw/zinc/54/03/06/842540306.db2.gz COHDGMHHHUBZTB-TZMCWYRMSA-N 0 3 370.475 -0.024 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)[nH]n1 ZINC001101870857 842541367 /nfs/dbraw/zinc/54/13/67/842541367.db2.gz CIROFSIYUAISQL-TZMCWYRMSA-N 0 3 371.507 -0.164 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)n[nH]1 ZINC001101870857 842541362 /nfs/dbraw/zinc/54/13/62/842541362.db2.gz CIROFSIYUAISQL-TZMCWYRMSA-N 0 3 371.507 -0.164 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](CNC(=O)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC001101872261 842540350 /nfs/dbraw/zinc/54/03/50/842540350.db2.gz NBXGWCPCPVMQJG-TZMCWYRMSA-N 0 3 371.507 -0.116 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](CNC(=O)Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC001101872261 842540348 /nfs/dbraw/zinc/54/03/48/842540348.db2.gz NBXGWCPCPVMQJG-TZMCWYRMSA-N 0 3 371.507 -0.116 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)[nH]n1 ZINC001101872416 842540545 /nfs/dbraw/zinc/54/05/45/842540545.db2.gz SWFGNGSCYCGTIY-DGCLKSJQSA-N 0 3 357.480 -0.506 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)n[nH]1 ZINC001101872416 842540539 /nfs/dbraw/zinc/54/05/39/842540539.db2.gz SWFGNGSCYCGTIY-DGCLKSJQSA-N 0 3 357.480 -0.506 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001101873654 842541064 /nfs/dbraw/zinc/54/10/64/842541064.db2.gz SSCOZYIFNTZUNG-ADEWGFFLSA-N 0 3 350.423 -0.472 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)n[nH]1 ZINC001101873654 842541057 /nfs/dbraw/zinc/54/10/57/842541057.db2.gz SSCOZYIFNTZUNG-ADEWGFFLSA-N 0 3 350.423 -0.472 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001101873655 842540500 /nfs/dbraw/zinc/54/05/00/842540500.db2.gz SSCOZYIFNTZUNG-YUSALJHKSA-N 0 3 350.423 -0.472 20 0 FBADHN Cc1cc(CC(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)n[nH]1 ZINC001101873655 842540496 /nfs/dbraw/zinc/54/04/96/842540496.db2.gz SSCOZYIFNTZUNG-YUSALJHKSA-N 0 3 350.423 -0.472 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cn(C)cn1 ZINC001101876130 842541269 /nfs/dbraw/zinc/54/12/69/842541269.db2.gz ZUCGIXJOHIWPCC-CHWSQXEVSA-N 0 3 357.480 -0.391 20 0 FBADHN Cc1cc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)ncn1 ZINC001101879201 842540253 /nfs/dbraw/zinc/54/02/53/842540253.db2.gz MAFAHGYWIAHBSP-TZMCWYRMSA-N 0 3 369.491 -0.026 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001101884963 842543017 /nfs/dbraw/zinc/54/30/17/842543017.db2.gz HSKLCDDOTBMTDB-BMFZPTHFSA-N 0 3 352.479 -0.473 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001101884964 842543190 /nfs/dbraw/zinc/54/31/90/842543190.db2.gz HSKLCDDOTBMTDB-FVQBIDKESA-N 0 3 352.479 -0.473 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2COCCN2C)[C@H](C)C1 ZINC001101885000 842542277 /nfs/dbraw/zinc/54/22/77/842542277.db2.gz JDPRJTABELQGQZ-BZUAXINKSA-N 0 3 354.495 -0.132 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2COCCN2C)[C@H](C)C1 ZINC001101885001 842542949 /nfs/dbraw/zinc/54/29/49/842542949.db2.gz JDPRJTABELQGQZ-OAGGEKHMSA-N 0 3 354.495 -0.132 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@H]2COCCN2C)[C@H](C)C1 ZINC001101885061 842542685 /nfs/dbraw/zinc/54/26/85/842542685.db2.gz LEAKGLWUUGCQDI-BZUAXINKSA-N 0 3 354.495 -0.131 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2COCCN2C)[C@H](C)C1 ZINC001101885062 842542657 /nfs/dbraw/zinc/54/26/57/842542657.db2.gz LEAKGLWUUGCQDI-OAGGEKHMSA-N 0 3 354.495 -0.131 20 0 FBADHN CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101886051 842542203 /nfs/dbraw/zinc/54/22/03/842542203.db2.gz BWLUKCAMDKNXIA-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN CCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101886052 842542310 /nfs/dbraw/zinc/54/23/10/842542310.db2.gz BWLUKCAMDKNXIA-OWCLPIDISA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)CN1CCOCC1 ZINC001101886087 842542242 /nfs/dbraw/zinc/54/22/42/842542242.db2.gz CRIJBWQWVJBAIM-HZPDHXFCSA-N 0 3 352.479 -0.375 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)CN3CCOCC3)[C@H](C)C2)C1=O ZINC001101886133 842542403 /nfs/dbraw/zinc/54/24/03/842542403.db2.gz FLZFGTMKXYWGSB-BZUAXINKSA-N 0 3 352.479 -0.377 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)CN3CCOCC3)[C@H](C)C2)C1=O ZINC001101886134 842542160 /nfs/dbraw/zinc/54/21/60/842542160.db2.gz FLZFGTMKXYWGSB-OAGGEKHMSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101886179 842542383 /nfs/dbraw/zinc/54/23/83/842542383.db2.gz GZXVXTZPFNCLEG-QLFBSQMISA-N 0 3 352.479 -0.330 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101886180 842543294 /nfs/dbraw/zinc/54/32/94/842543294.db2.gz GZXVXTZPFNCLEG-RBSFLKMASA-N 0 3 352.479 -0.330 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)CN1CCOCC1 ZINC001101886590 842542180 /nfs/dbraw/zinc/54/21/80/842542180.db2.gz UUXHPRHCPWOOJA-GDBMZVCRSA-N 0 3 352.479 -0.471 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CN1CCOCC1 ZINC001101887462 842543125 /nfs/dbraw/zinc/54/31/25/842543125.db2.gz MGKDOTGDKBHZKX-HUUCEWRRSA-N 0 3 352.479 -0.377 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CN1CCOCC1 ZINC001101889510 842542863 /nfs/dbraw/zinc/54/28/63/842542863.db2.gz GIZFYNCPKGNYKE-HUUCEWRRSA-N 0 3 354.495 -0.083 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101889594 842542223 /nfs/dbraw/zinc/54/22/23/842542223.db2.gz JXDONEOKEBOMRL-HZPDHXFCSA-N 0 3 354.495 -0.129 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101889896 842543245 /nfs/dbraw/zinc/54/32/45/842543245.db2.gz WXIKBUHOTKFDHP-HZPDHXFCSA-N 0 3 354.495 -0.131 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001101892031 842543869 /nfs/dbraw/zinc/54/38/69/842543869.db2.gz IKCCCCFXKIMNHR-KFWWJZLASA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001101892032 842544163 /nfs/dbraw/zinc/54/41/63/842544163.db2.gz IKCCCCFXKIMNHR-RBSFLKMASA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101893472 842544767 /nfs/dbraw/zinc/54/47/67/842544767.db2.gz CAYKZDZNZJQJJJ-CHWSQXEVSA-N 0 3 350.423 -0.710 20 0 FBADHN CCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101893682 842543942 /nfs/dbraw/zinc/54/39/42/842543942.db2.gz NEVHIKYBIHWTOO-FRRDWIJNSA-N 0 3 352.439 -0.418 20 0 FBADHN CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101893683 842544077 /nfs/dbraw/zinc/54/40/77/842544077.db2.gz NEVHIKYBIHWTOO-JHJVBQTASA-N 0 3 352.439 -0.418 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101893699 842543926 /nfs/dbraw/zinc/54/39/26/842543926.db2.gz NUTXZYLGHWDTTE-VXGBXAGGSA-N 0 3 350.423 -0.711 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101893908 842544664 /nfs/dbraw/zinc/54/46/64/842544664.db2.gz XDNOGOZPYVBOSM-GRYCIOLGSA-N 0 3 350.423 -0.665 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101893909 842544718 /nfs/dbraw/zinc/54/47/18/842544718.db2.gz XDNOGOZPYVBOSM-IJLUTSLNSA-N 0 3 350.423 -0.665 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cncnc1 ZINC001101897427 842543909 /nfs/dbraw/zinc/54/39/09/842543909.db2.gz FZOWAXGCDPGYGF-TZMCWYRMSA-N 0 3 355.464 -0.334 20 0 FBADHN CCNC(=O)CC(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001101898811 842544863 /nfs/dbraw/zinc/54/48/63/842544863.db2.gz DUMDYEQNYMQMJG-ZIAGYGMSSA-N 0 3 355.483 -0.096 20 0 FBADHN CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101898861 842544376 /nfs/dbraw/zinc/54/43/76/842544376.db2.gz HCJKAUZZPSZQDO-HZSPNIEDSA-N 0 3 359.492 -0.369 20 0 FBADHN CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101898862 842543860 /nfs/dbraw/zinc/54/38/60/842543860.db2.gz HCJKAUZZPSZQDO-MGPQQGTHSA-N 0 3 359.492 -0.369 20 0 FBADHN CCNC(=O)CC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101899151 842543994 /nfs/dbraw/zinc/54/39/94/842543994.db2.gz VIDKIKFFISZYEJ-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN CCNC(=O)CC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001101899203 842544043 /nfs/dbraw/zinc/54/40/43/842544043.db2.gz XKXVMQWHXUEXPV-ZIAGYGMSSA-N 0 3 354.451 -0.945 20 0 FBADHN CNC(=O)CCCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101899878 842544502 /nfs/dbraw/zinc/54/45/02/842544502.db2.gz BWHSRRBFIMTOOT-JHJVBQTASA-N 0 3 352.435 -0.608 20 0 FBADHN CNC(=O)CCCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101899879 842543783 /nfs/dbraw/zinc/54/37/83/842543783.db2.gz BWHSRRBFIMTOOT-UPJWGTAASA-N 0 3 352.435 -0.608 20 0 FBADHN CNC(=O)CCCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101901046 842546533 /nfs/dbraw/zinc/54/65/33/842546533.db2.gz ILRLCWWJPFUYQY-GRYCIOLGSA-N 0 3 355.439 -0.830 20 0 FBADHN CNC(=O)CCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101901047 842545520 /nfs/dbraw/zinc/54/55/20/842545520.db2.gz ILRLCWWJPFUYQY-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101901402 842546238 /nfs/dbraw/zinc/54/62/38/842546238.db2.gz QLVGUUQYOIHTEQ-BFHYXJOUSA-N 0 3 361.508 -0.123 20 0 FBADHN CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001101901408 842546511 /nfs/dbraw/zinc/54/65/11/842546511.db2.gz QLVGUUQYOIHTEQ-MGPQQGTHSA-N 0 3 361.508 -0.123 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101902218 842545377 /nfs/dbraw/zinc/54/53/77/842545377.db2.gz DLXPWEVMFJBVDP-CHWSQXEVSA-N 0 3 352.439 -0.464 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101902352 842546593 /nfs/dbraw/zinc/54/65/93/842546593.db2.gz KZYUTEQNXSLSOT-VXGBXAGGSA-N 0 3 352.439 -0.418 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101902512 842546417 /nfs/dbraw/zinc/54/64/17/842546417.db2.gz SRKVTHIFXIRQFT-CHWSQXEVSA-N 0 3 352.439 -0.465 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101903531 842546207 /nfs/dbraw/zinc/54/62/07/842546207.db2.gz IMWDHRSKRYJIAG-FRRDWIJNSA-N 0 3 371.463 -0.898 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101903532 842546470 /nfs/dbraw/zinc/54/64/70/842546470.db2.gz IMWDHRSKRYJIAG-JHJVBQTASA-N 0 3 371.463 -0.898 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)CN3CN=NC3=O)[C@H](C)C2)C1=O ZINC001101903831 842546058 /nfs/dbraw/zinc/54/60/58/842546058.db2.gz VFJQFDPGZPLSSB-JHJVBQTASA-N 0 3 350.423 -0.711 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)CN3CN=NC3=O)[C@H](C)C2)C1=O ZINC001101903832 842546574 /nfs/dbraw/zinc/54/65/74/842546574.db2.gz VFJQFDPGZPLSSB-UPJWGTAASA-N 0 3 350.423 -0.711 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101903887 842546035 /nfs/dbraw/zinc/54/60/35/842546035.db2.gz XEUIZKOFRRSCFN-DGCLKSJQSA-N 0 3 350.423 -0.806 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C1=CCOCC1 ZINC001101903970 842546082 /nfs/dbraw/zinc/54/60/82/842546082.db2.gz ZQTLKDIHRHVQQG-UKRRQHHQSA-N 0 3 359.492 -0.091 20 0 FBADHN CCn1nccc1C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101904840 842545568 /nfs/dbraw/zinc/54/55/68/842545568.db2.gz QBXUWGKWLJICHS-GRYCIOLGSA-N 0 3 350.423 -0.216 20 0 FBADHN CCn1nccc1C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101904841 842546188 /nfs/dbraw/zinc/54/61/88/842546188.db2.gz QBXUWGKWLJICHS-IJLUTSLNSA-N 0 3 350.423 -0.216 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2=CCOCC2)[C@H](C)C1 ZINC001101906326 842545956 /nfs/dbraw/zinc/54/59/56/842545956.db2.gz ZNTCGXALKLBEBF-MBNYWOFBSA-N 0 3 352.435 -0.139 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2=CCOCC2)[C@H](C)C1 ZINC001101906327 842545747 /nfs/dbraw/zinc/54/57/47/842545747.db2.gz ZNTCGXALKLBEBF-YRGRVCCFSA-N 0 3 352.435 -0.139 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC2OCCCO2)[C@H](C)C1 ZINC001101906808 842545881 /nfs/dbraw/zinc/54/58/81/842545881.db2.gz ASINTOCPQGAKNT-GRYCIOLGSA-N 0 3 356.423 -0.593 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC2OCCCO2)[C@H](C)C1 ZINC001101906809 842547218 /nfs/dbraw/zinc/54/72/18/842547218.db2.gz ASINTOCPQGAKNT-IJLUTSLNSA-N 0 3 356.423 -0.593 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001101907012 842548023 /nfs/dbraw/zinc/54/80/23/842548023.db2.gz JRIDZJONQLCYFX-HZSPNIEDSA-N 0 3 356.467 -0.652 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001101907013 842547668 /nfs/dbraw/zinc/54/76/68/842547668.db2.gz JRIDZJONQLCYFX-MGPQQGTHSA-N 0 3 356.467 -0.652 20 0 FBADHN Cc1cc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)cnn1 ZINC001101907092 842547268 /nfs/dbraw/zinc/54/72/68/842547268.db2.gz NNDMPJWUUDCTOO-IUODEOHRSA-N 0 3 369.491 -0.026 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001101908160 842546983 /nfs/dbraw/zinc/54/69/83/842546983.db2.gz GLFXADYBSUSWSN-HZSPNIEDSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001101908161 842547000 /nfs/dbraw/zinc/54/70/00/842547000.db2.gz GLFXADYBSUSWSN-MGPQQGTHSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001101908164 842548075 /nfs/dbraw/zinc/54/80/75/842548075.db2.gz GTVIWZQCVLTYLW-CHWSQXEVSA-N 0 3 355.483 -0.096 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001101908380 842547992 /nfs/dbraw/zinc/54/79/92/842547992.db2.gz RBFYKCVDUZCZIN-TZMCWYRMSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101908465 842548082 /nfs/dbraw/zinc/54/80/82/842548082.db2.gz VVYZZGCRLFTTLQ-HZSPNIEDSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101908466 842548016 /nfs/dbraw/zinc/54/80/16/842548016.db2.gz VVYZZGCRLFTTLQ-MGPQQGTHSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001101909155 842548066 /nfs/dbraw/zinc/54/80/66/842548066.db2.gz CETPSWYPAYXWMT-NFAWXSAZSA-N 0 3 350.463 -0.040 20 0 FBADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001101909156 842547824 /nfs/dbraw/zinc/54/78/24/842547824.db2.gz CETPSWYPAYXWMT-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001101909383 842547914 /nfs/dbraw/zinc/54/79/14/842547914.db2.gz LZVPGWFEIZETKX-DGCLKSJQSA-N 0 3 350.419 -0.198 20 0 FBADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001101909626 842547758 /nfs/dbraw/zinc/54/77/58/842547758.db2.gz VCERCOUZDOLOKR-IUODEOHRSA-N 0 3 350.463 -0.325 20 0 FBADHN C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001101910384 842547595 /nfs/dbraw/zinc/54/75/95/842547595.db2.gz BHJYTNXPCKORDJ-MBNYWOFBSA-N 0 3 353.467 -0.404 20 0 FBADHN C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1C ZINC001101910420 842549593 /nfs/dbraw/zinc/54/95/93/842549593.db2.gz DBVUXORJAGJSQP-HZSPNIEDSA-N 0 3 353.467 -0.260 20 0 FBADHN CCN(C(=O)CN1C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@H](C)C1)C1CC1 ZINC001101911619 842549057 /nfs/dbraw/zinc/54/90/57/842549057.db2.gz KYAPFONLEJUEGX-FRRDWIJNSA-N 0 3 353.467 -0.262 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101911736 842549575 /nfs/dbraw/zinc/54/95/75/842549575.db2.gz QPMYJQICMOCYHH-KGYLQXTDSA-N 0 3 369.491 -0.041 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101911807 842549212 /nfs/dbraw/zinc/54/92/12/842549212.db2.gz VOWBZBCDUIGLNM-FRRDWIJNSA-N 0 3 356.471 -0.565 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1OCCCO1 ZINC001101913135 842548722 /nfs/dbraw/zinc/54/87/22/842548722.db2.gz VBVDAMFRLNYODE-JHJVBQTASA-N 0 3 353.419 -0.371 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1OCCCO1 ZINC001101913136 842549393 /nfs/dbraw/zinc/54/93/93/842549393.db2.gz VBVDAMFRLNYODE-UPJWGTAASA-N 0 3 353.419 -0.371 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1ccnn1 ZINC001101914061 842549136 /nfs/dbraw/zinc/54/91/36/842549136.db2.gz PIMLXGSVTALKDM-QLFBSQMISA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1ccnn1 ZINC001101914062 842548693 /nfs/dbraw/zinc/54/86/93/842548693.db2.gz PIMLXGSVTALKDM-RBSFLKMASA-N 0 3 369.491 -0.213 20 0 FBADHN CCn1ccnc1C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101918123 842548960 /nfs/dbraw/zinc/54/89/60/842548960.db2.gz JNWGQIWOGFIBKT-GRYCIOLGSA-N 0 3 350.423 -0.216 20 0 FBADHN CCn1ccnc1C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101918124 842548488 /nfs/dbraw/zinc/54/84/88/842548488.db2.gz JNWGQIWOGFIBKT-IJLUTSLNSA-N 0 3 350.423 -0.216 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1ccnn1C ZINC001101924679 842549037 /nfs/dbraw/zinc/54/90/37/842549037.db2.gz FDGYLPAXIISODZ-ZIAGYGMSSA-N 0 3 371.507 -0.462 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cnnn1C ZINC001101925888 842550893 /nfs/dbraw/zinc/55/08/93/842550893.db2.gz GIGWCQFOMXPQNO-VXGBXAGGSA-N 0 3 358.468 -0.996 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)c2cnnn2C)[C@H](C)C1 ZINC001101926383 842550289 /nfs/dbraw/zinc/55/02/89/842550289.db2.gz XHBYCZFZEOKRBQ-CHWSQXEVSA-N 0 3 351.455 -0.180 20 0 FBADHN Cc1ccnc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)n1 ZINC001101926493 842550497 /nfs/dbraw/zinc/55/04/97/842550497.db2.gz BIAMKGMTDZZSQC-TZMCWYRMSA-N 0 3 369.491 -0.026 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CCc1ncc[nH]1 ZINC001101927062 842550130 /nfs/dbraw/zinc/55/01/30/842550130.db2.gz WMXUFJFHKIDXQO-ZIAGYGMSSA-N 0 3 371.507 -0.082 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)CCc1ncc[nH]1 ZINC001101927515 842550408 /nfs/dbraw/zinc/55/04/08/842550408.db2.gz IQKUVQFAVNHWDU-CHWSQXEVSA-N 0 3 357.480 -0.424 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101927687 842550629 /nfs/dbraw/zinc/55/06/29/842550629.db2.gz MCKXFWLRJPDPAJ-GRYCIOLGSA-N 0 3 350.423 -0.390 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101927688 842551464 /nfs/dbraw/zinc/55/14/64/842551464.db2.gz MCKXFWLRJPDPAJ-IJLUTSLNSA-N 0 3 350.423 -0.390 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H](C)C1 ZINC001101927853 842551354 /nfs/dbraw/zinc/55/13/54/842551354.db2.gz OFNXYDMYJRVLQF-ZIAGYGMSSA-N 0 3 371.507 -0.034 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001101928300 842551389 /nfs/dbraw/zinc/55/13/89/842551389.db2.gz WWLPXEUTSQXYKM-BNOWGMLFSA-N 0 3 352.435 -0.353 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001101928302 842551786 /nfs/dbraw/zinc/55/17/86/842551786.db2.gz WWLPXEUTSQXYKM-MRVWCRGKSA-N 0 3 352.435 -0.353 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1cncnc1 ZINC001101928397 842550648 /nfs/dbraw/zinc/55/06/48/842550648.db2.gz ZBDWHZDECLAZOZ-UKRRQHHQSA-N 0 3 369.491 -0.405 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cc2ccnn2C)[C@H](C)C1 ZINC001101928898 842551416 /nfs/dbraw/zinc/55/14/16/842551416.db2.gz KMECZNINRCCIAS-GRYCIOLGSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cc2ccnn2C)[C@H](C)C1 ZINC001101928901 842551599 /nfs/dbraw/zinc/55/15/99/842551599.db2.gz KMECZNINRCCIAS-IJLUTSLNSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)CC(C)(C)O ZINC001101930090 842550187 /nfs/dbraw/zinc/55/01/87/842550187.db2.gz HKTXOTICCVNGGC-ZIAGYGMSSA-N 0 3 361.508 -0.133 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)[C@H]2COC(=O)N2)[C@H](C)C1 ZINC001101931342 842551271 /nfs/dbraw/zinc/55/12/71/842551271.db2.gz RTRXVAANCIKDFW-JHJVBQTASA-N 0 3 355.439 -0.514 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2)[C@H](C)C1 ZINC001101931343 842550924 /nfs/dbraw/zinc/55/09/24/842550924.db2.gz RTRXVAANCIKDFW-UPJWGTAASA-N 0 3 355.439 -0.514 20 0 FBADHN CCN(C(=O)CN1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2)[C@H](C)C1)C1CC1 ZINC001101931346 842550988 /nfs/dbraw/zinc/55/09/88/842550988.db2.gz RWZHHNXJCVAANB-BZPMIXESSA-N 0 3 352.435 -0.210 20 0 FBADHN CCN(C(=O)CN1C[C@@H](CNC(=O)[C@H]2COC(=O)N2)[C@H](C)C1)C1CC1 ZINC001101931347 842549978 /nfs/dbraw/zinc/54/99/78/842549978.db2.gz RWZHHNXJCVAANB-YRGRVCCFSA-N 0 3 352.435 -0.210 20 0 FBADHN CO[C@@H](C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C)C1CC1 ZINC001101932350 842550683 /nfs/dbraw/zinc/55/06/83/842550683.db2.gz NZGSFQFCOFXODH-FRFSOERESA-N 0 3 353.463 -0.046 20 0 FBADHN CO[C@H](C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C)C1CC1 ZINC001101932351 842551114 /nfs/dbraw/zinc/55/11/14/842551114.db2.gz NZGSFQFCOFXODH-UNEWFSDZSA-N 0 3 353.463 -0.046 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](C)C1 ZINC001101932386 842551640 /nfs/dbraw/zinc/55/16/40/842551640.db2.gz PCPFOOSGENLYGK-CHWSQXEVSA-N 0 3 351.455 -0.180 20 0 FBADHN CO[C@@H](C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C)C1CC1 ZINC001101932581 842550323 /nfs/dbraw/zinc/55/03/23/842550323.db2.gz RYNBHQABSDBLDP-BPLDGKMQSA-N 0 3 361.508 -0.013 20 0 FBADHN CO[C@H](C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C)C1CC1 ZINC001101932583 842551302 /nfs/dbraw/zinc/55/13/02/842551302.db2.gz RYNBHQABSDBLDP-YUELXQCFSA-N 0 3 361.508 -0.013 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC001101932901 842553089 /nfs/dbraw/zinc/55/30/89/842553089.db2.gz XJXHQUVKWPFTFC-VXGBXAGGSA-N 0 3 358.468 -0.996 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001101933276 842553064 /nfs/dbraw/zinc/55/30/64/842553064.db2.gz DSZJOJDBNNOJDW-VXGBXAGGSA-N 0 3 358.468 -0.996 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](C)C1 ZINC001101933876 842553619 /nfs/dbraw/zinc/55/36/19/842553619.db2.gz VMTRVVUTWSXOAG-CHWSQXEVSA-N 0 3 351.455 -0.180 20 0 FBADHN CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC001101936034 842553116 /nfs/dbraw/zinc/55/31/16/842553116.db2.gz ZLAXGYSGSYMNBU-RBSFLKMASA-N 0 3 361.508 -0.277 20 0 FBADHN CCn1nncc1C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101936874 842552769 /nfs/dbraw/zinc/55/27/69/842552769.db2.gz IHWMUDXSBJJIQB-GMTAPVOTSA-N 0 3 351.411 -0.821 20 0 FBADHN CCn1nncc1C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101936875 842553479 /nfs/dbraw/zinc/55/34/79/842553479.db2.gz IHWMUDXSBJJIQB-OUAUKWLOSA-N 0 3 351.411 -0.821 20 0 FBADHN Cc1nnc(CC(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)o1 ZINC001101936942 842553334 /nfs/dbraw/zinc/55/33/34/842553334.db2.gz LNXKDUWGUNBHKR-FXPVBKGRSA-N 0 3 352.395 -0.812 20 0 FBADHN Cc1nnc(CC(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)o1 ZINC001101936943 842553254 /nfs/dbraw/zinc/55/32/54/842553254.db2.gz LNXKDUWGUNBHKR-WCABBAIRSA-N 0 3 352.395 -0.812 20 0 FBADHN CNC(=O)NCCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001101938910 842552825 /nfs/dbraw/zinc/55/28/25/842552825.db2.gz BKHMKAXYWOGIEB-FRRDWIJNSA-N 0 3 353.467 -0.343 20 0 FBADHN CNC(=O)NCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1C ZINC001101938911 842553532 /nfs/dbraw/zinc/55/35/32/842553532.db2.gz BKHMKAXYWOGIEB-JHJVBQTASA-N 0 3 353.467 -0.343 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C2)C1=O ZINC001101938914 842552622 /nfs/dbraw/zinc/55/26/22/842552622.db2.gz BQPGBOUXCHFZDS-MCIONIFRSA-N 0 3 353.467 -0.390 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C2)C1=O ZINC001101938915 842552198 /nfs/dbraw/zinc/55/21/98/842552198.db2.gz BQPGBOUXCHFZDS-MGPQQGTHSA-N 0 3 353.467 -0.390 20 0 FBADHN CCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C1 ZINC001101938929 842552884 /nfs/dbraw/zinc/55/28/84/842552884.db2.gz CINGEBJKPFYMOQ-HZSPNIEDSA-N 0 3 355.483 -0.096 20 0 FBADHN CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C1 ZINC001101938930 842553567 /nfs/dbraw/zinc/55/35/67/842553567.db2.gz CINGEBJKPFYMOQ-MGPQQGTHSA-N 0 3 355.483 -0.096 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C1 ZINC001101938968 842552911 /nfs/dbraw/zinc/55/29/11/842552911.db2.gz DWYIGJCNZRPXQC-ZIAGYGMSSA-N 0 3 355.483 -0.142 20 0 FBADHN CNC(=O)NCCC(=O)NC[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1C ZINC001101939094 842552361 /nfs/dbraw/zinc/55/23/61/842552361.db2.gz GCVIASMWDKVREG-ZIAGYGMSSA-N 0 3 353.467 -0.388 20 0 FBADHN CNC(=O)NCCC(=O)NC[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1C ZINC001101939172 842552301 /nfs/dbraw/zinc/55/23/01/842552301.db2.gz KNZHBULXNBCJOZ-CHWSQXEVSA-N 0 3 355.483 -0.096 20 0 FBADHN CNC(=O)NCCC(=O)NC[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1C ZINC001101939310 842555423 /nfs/dbraw/zinc/55/54/23/842555423.db2.gz MDZDZRWAURGRAZ-CHWSQXEVSA-N 0 3 353.467 -0.390 20 0 FBADHN CNC(=O)NCCC(=O)NC[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C ZINC001101939423 842555395 /nfs/dbraw/zinc/55/53/95/842555395.db2.gz PWGIAGPDBYSXFZ-TZMCWYRMSA-N 0 3 353.467 -0.484 20 0 FBADHN CNC(=O)NCCC(=O)NC[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1C ZINC001101939634 842555072 /nfs/dbraw/zinc/55/50/72/842555072.db2.gz ZRBWVRUIJSBTDA-ZIAGYGMSSA-N 0 3 355.483 -0.144 20 0 FBADHN Cc1c[nH]nc1C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101943461 842555543 /nfs/dbraw/zinc/55/55/43/842555543.db2.gz VUEVCJQXNLHLPJ-CHWSQXEVSA-N 0 3 357.480 -0.093 20 0 FBADHN Cc1ccc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)nn1 ZINC001101946809 842555253 /nfs/dbraw/zinc/55/52/53/842555253.db2.gz KYMIXCFPYMJXKP-TZMCWYRMSA-N 0 3 369.491 -0.026 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CC1(O)CCC1 ZINC001101947697 842555203 /nfs/dbraw/zinc/55/52/03/842555203.db2.gz CTTVUQVAGDHGPW-ZIAGYGMSSA-N 0 3 361.508 -0.133 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CC1(O)CCC1 ZINC001101947975 842554162 /nfs/dbraw/zinc/55/41/62/842554162.db2.gz PQNWYSXSIVITAG-HUUCEWRRSA-N 0 3 353.463 -0.166 20 0 FBADHN Cc1cn(C)nc1C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001101948030 842554308 /nfs/dbraw/zinc/55/43/08/842554308.db2.gz RPAZKLDSQVCYRD-TZMCWYRMSA-N 0 3 371.507 -0.082 20 0 FBADHN Cc1nc(CC(=O)NC[C@@H]2CN(CCCS(C)(=O)=O)C[C@H]2C)n[nH]1 ZINC001101955893 842555601 /nfs/dbraw/zinc/55/56/01/842555601.db2.gz LTKXTOKCLXUHHD-DGCLKSJQSA-N 0 3 357.480 -0.226 20 0 FBADHN Cc1nnc(CC(=O)NC[C@@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C)[nH]1 ZINC001101956350 842555525 /nfs/dbraw/zinc/55/55/25/842555525.db2.gz XEQLKHCRKRKKEC-KWCYVHTRSA-N 0 3 369.491 -0.226 20 0 FBADHN Cc1nnc(CC(=O)NC[C@@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@H]2C)[nH]1 ZINC001101956351 842555142 /nfs/dbraw/zinc/55/51/42/842555142.db2.gz XEQLKHCRKRKKEC-MRVWCRGKSA-N 0 3 369.491 -0.226 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001101957461 842555284 /nfs/dbraw/zinc/55/52/84/842555284.db2.gz GRKNBVHDTHGKPJ-ZIAGYGMSSA-N 0 3 371.507 -0.462 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)CNC(=O)N1CCCC1 ZINC001101958346 842554755 /nfs/dbraw/zinc/55/47/55/842554755.db2.gz BCORUASAWZJAQX-ZIAGYGMSSA-N 0 3 353.467 -0.436 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cc2ccn(C)n2)[C@H](C)C1 ZINC001101958509 842554409 /nfs/dbraw/zinc/55/44/09/842554409.db2.gz IGAHFEFAEIJDJR-GRYCIOLGSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cc2ccn(C)n2)[C@H](C)C1 ZINC001101958510 842554685 /nfs/dbraw/zinc/55/46/85/842554685.db2.gz IGAHFEFAEIJDJR-IJLUTSLNSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CNC(=O)N1CCCC1 ZINC001101958591 842557190 /nfs/dbraw/zinc/55/71/90/842557190.db2.gz LPIQPSOFQMVRAF-MCIONIFRSA-N 0 3 351.451 -0.636 20 0 FBADHN C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CNC(=O)N1CCCC1 ZINC001101958592 842556418 /nfs/dbraw/zinc/55/64/18/842556418.db2.gz LPIQPSOFQMVRAF-MGPQQGTHSA-N 0 3 351.451 -0.636 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(=O)N2CCCC2)[C@H](C)C1 ZINC001101960416 842556083 /nfs/dbraw/zinc/55/60/83/842556083.db2.gz BAWABQPKTFCUIL-MCIONIFRSA-N 0 3 353.467 -0.260 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(=O)N2CCCC2)[C@H](C)C1 ZINC001101960417 842556466 /nfs/dbraw/zinc/55/64/66/842556466.db2.gz BAWABQPKTFCUIL-MGPQQGTHSA-N 0 3 353.467 -0.260 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CNC(=O)N2CCCC2)[C@H](C)C1 ZINC001101960799 842557056 /nfs/dbraw/zinc/55/70/56/842557056.db2.gz MQXXLOPWOGSYMM-HZSPNIEDSA-N 0 3 353.467 -0.390 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CNC(=O)N2CCCC2)[C@H](C)C1 ZINC001101960801 842556971 /nfs/dbraw/zinc/55/69/71/842556971.db2.gz MQXXLOPWOGSYMM-MGPQQGTHSA-N 0 3 353.467 -0.390 20 0 FBADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2nccnc2C)C[C@H]1C ZINC001101966312 842558223 /nfs/dbraw/zinc/55/82/23/842558223.db2.gz GHKVOBDMSBWWLR-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1C ZINC001101966339 842557744 /nfs/dbraw/zinc/55/77/44/842557744.db2.gz HJGFFPKNKDVUFS-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC001101966727 842558072 /nfs/dbraw/zinc/55/80/72/842558072.db2.gz YPZDDCMHKDMSGB-FRRDWIJNSA-N 0 3 362.496 -0.914 20 0 FBADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1C ZINC001101966728 842558023 /nfs/dbraw/zinc/55/80/23/842558023.db2.gz YPZDDCMHKDMSGB-JHJVBQTASA-N 0 3 362.496 -0.914 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101967300 842558101 /nfs/dbraw/zinc/55/81/01/842558101.db2.gz AKAOTTPRDBQJAK-HZSPNIEDSA-N 0 3 355.483 -0.016 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[C@H](C)C1 ZINC001101967301 842557613 /nfs/dbraw/zinc/55/76/13/842557613.db2.gz AKAOTTPRDBQJAK-MGPQQGTHSA-N 0 3 355.483 -0.016 20 0 FBADHN C[C@@H](CC(=O)NC[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1C)NC(N)=O ZINC001101967470 842557512 /nfs/dbraw/zinc/55/75/12/842557512.db2.gz GXZXSYDEBSIXSR-HZSPNIEDSA-N 0 3 353.467 -0.260 20 0 FBADHN C[C@H](CC(=O)NC[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1C)NC(N)=O ZINC001101967471 842558652 /nfs/dbraw/zinc/55/86/52/842558652.db2.gz GXZXSYDEBSIXSR-MGPQQGTHSA-N 0 3 353.467 -0.260 20 0 FBADHN C[C@@H](CC(=O)NC[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1C)NC(N)=O ZINC001101967488 842558300 /nfs/dbraw/zinc/55/83/00/842558300.db2.gz HPLHGTGVVDOZKC-FRRDWIJNSA-N 0 3 353.467 -0.262 20 0 FBADHN C[C@H](CC(=O)NC[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1C)NC(N)=O ZINC001101967489 842558055 /nfs/dbraw/zinc/55/80/55/842558055.db2.gz HPLHGTGVVDOZKC-JHJVBQTASA-N 0 3 353.467 -0.262 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101968022 842558037 /nfs/dbraw/zinc/55/80/37/842558037.db2.gz OGDPMKLTAHAPOC-HZSPNIEDSA-N 0 3 355.483 -0.014 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[C@H](C)C1 ZINC001101968023 842558261 /nfs/dbraw/zinc/55/82/61/842558261.db2.gz OGDPMKLTAHAPOC-MGPQQGTHSA-N 0 3 355.483 -0.014 20 0 FBADHN C[C@@H](CC(=O)NC[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C)NC(N)=O ZINC001101968486 842558603 /nfs/dbraw/zinc/55/86/03/842558603.db2.gz XIXQGIANNGYUFT-MBNYWOFBSA-N 0 3 353.467 -0.356 20 0 FBADHN C[C@H](CC(=O)NC[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C)NC(N)=O ZINC001101968487 842558377 /nfs/dbraw/zinc/55/83/77/842558377.db2.gz XIXQGIANNGYUFT-YRGRVCCFSA-N 0 3 353.467 -0.356 20 0 FBADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001101968985 842558936 /nfs/dbraw/zinc/55/89/36/842558936.db2.gz FONLNFXGMNURSB-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001101969241 842558673 /nfs/dbraw/zinc/55/86/73/842558673.db2.gz MFVRBCDAXFARIK-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)CCS(=O)(=O)NC)[C@H](C)C1 ZINC001101969298 836503888 /nfs/dbraw/zinc/50/38/88/836503888.db2.gz PIGBHXVRGFJUNH-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001101969540 842559992 /nfs/dbraw/zinc/55/99/92/842559992.db2.gz ZZGXRGPUQVZNAM-TZMCWYRMSA-N 0 3 357.480 -0.457 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)c2c(Cl)cnn2C)[C@H](C)C1 ZINC001101974788 842559575 /nfs/dbraw/zinc/55/95/75/842559575.db2.gz QEAOSKCQTGIRIX-KXUCPTDWSA-N 0 3 370.841 -0.045 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)c2c(Cl)cnn2C)[C@H](C)C1 ZINC001101974789 842559918 /nfs/dbraw/zinc/55/99/18/842559918.db2.gz QEAOSKCQTGIRIX-OPRDCNLKSA-N 0 3 370.841 -0.045 20 0 FBADHN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001101975827 842560116 /nfs/dbraw/zinc/56/01/16/842560116.db2.gz CSUSAUOAGPVWIP-DDTOSNHZSA-N 0 3 351.451 -0.026 20 0 FBADHN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001101975831 842559690 /nfs/dbraw/zinc/55/96/90/842559690.db2.gz CSUSAUOAGPVWIP-LERXQTSPSA-N 0 3 351.451 -0.026 20 0 FBADHN CCN(CC)C(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976507 842560660 /nfs/dbraw/zinc/56/06/60/842560660.db2.gz FXLOXEMLFVTOKO-HZSPNIEDSA-N 0 3 351.455 -0.386 20 0 FBADHN CCN(CC)C(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976508 842559545 /nfs/dbraw/zinc/55/95/45/842559545.db2.gz FXLOXEMLFVTOKO-MGPQQGTHSA-N 0 3 351.455 -0.386 20 0 FBADHN C[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101976534 842559718 /nfs/dbraw/zinc/55/97/18/842559718.db2.gz GZDNQMYETLPRQP-GHMZBOCLSA-N 0 3 350.345 -0.064 20 0 FBADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976545 842560491 /nfs/dbraw/zinc/56/04/91/842560491.db2.gz HMBUORJRDCTZHM-HZSPNIEDSA-N 0 3 351.455 -0.388 20 0 FBADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976546 842559808 /nfs/dbraw/zinc/55/98/08/842559808.db2.gz HMBUORJRDCTZHM-MGPQQGTHSA-N 0 3 351.455 -0.388 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976610 842560542 /nfs/dbraw/zinc/56/05/42/842560542.db2.gz JJJMRXYNUVAYPW-DGCLKSJQSA-N 0 3 365.463 -0.411 20 0 FBADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976773 842559453 /nfs/dbraw/zinc/55/94/53/842559453.db2.gz LISXDQMUQGBGSG-FRRDWIJNSA-N 0 3 351.455 -0.340 20 0 FBADHN C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976774 842560349 /nfs/dbraw/zinc/56/03/49/842560349.db2.gz LISXDQMUQGBGSG-JHJVBQTASA-N 0 3 351.455 -0.340 20 0 FBADHN CC(C)CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101977009 842560681 /nfs/dbraw/zinc/56/06/81/842560681.db2.gz SESSMHHBMIXYEI-HZSPNIEDSA-N 0 3 351.455 -0.482 20 0 FBADHN CC(C)CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101977010 842559945 /nfs/dbraw/zinc/55/99/45/842559945.db2.gz SESSMHHBMIXYEI-MGPQQGTHSA-N 0 3 351.455 -0.482 20 0 FBADHN C[C@H](CN1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1)CS(C)(=O)=O ZINC001101977321 842560630 /nfs/dbraw/zinc/56/06/30/842560630.db2.gz YOWXLRYYQNHKTN-JHJVBQTASA-N 0 3 358.468 -0.962 20 0 FBADHN C[C@@H](CN1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1)CS(C)(=O)=O ZINC001101977322 842560255 /nfs/dbraw/zinc/56/02/55/842560255.db2.gz YOWXLRYYQNHKTN-YNEHKIRRSA-N 0 3 358.468 -0.962 20 0 FBADHN CCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101977325 842559327 /nfs/dbraw/zinc/55/93/27/842559327.db2.gz YPSSEIXEJOKARF-HZSPNIEDSA-N 0 3 351.455 -0.338 20 0 FBADHN CCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101977326 842560367 /nfs/dbraw/zinc/56/03/67/842560367.db2.gz YPSSEIXEJOKARF-MGPQQGTHSA-N 0 3 351.455 -0.338 20 0 FBADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](C)C1 ZINC001101977822 842560282 /nfs/dbraw/zinc/56/02/82/842560282.db2.gz BLUFRNPFWWWXSG-GRYCIOLGSA-N 0 3 352.435 -0.671 20 0 FBADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](C)C1 ZINC001101977823 842559838 /nfs/dbraw/zinc/55/98/38/842559838.db2.gz BLUFRNPFWWWXSG-IJLUTSLNSA-N 0 3 352.435 -0.671 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCOCC(F)F)[C@H](C)C1 ZINC001101978675 842559604 /nfs/dbraw/zinc/55/96/04/842559604.db2.gz BYLNOHQZWDIJFV-GMTAPVOTSA-N 0 3 364.393 -0.074 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCOCC(F)F)[C@H](C)C1 ZINC001101978676 842560516 /nfs/dbraw/zinc/56/05/16/842560516.db2.gz BYLNOHQZWDIJFV-OUAUKWLOSA-N 0 3 364.393 -0.074 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979927 842562600 /nfs/dbraw/zinc/56/26/00/842562600.db2.gz JLJWNMHNVOINFF-HZSPNIEDSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979928 842561331 /nfs/dbraw/zinc/56/13/31/842561331.db2.gz JLJWNMHNVOINFF-MGPQQGTHSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980072 842561170 /nfs/dbraw/zinc/56/11/70/842561170.db2.gz LJIQTMARFKOBHP-VXGBXAGGSA-N 0 3 352.830 -0.093 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101980085 842562052 /nfs/dbraw/zinc/56/20/52/842562052.db2.gz LXWGSHQNJXPBCG-CHWSQXEVSA-N 0 3 352.443 -0.935 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980114 842562665 /nfs/dbraw/zinc/56/26/65/842562665.db2.gz OBKSBDRHNBQVGI-TZMCWYRMSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980565 842562120 /nfs/dbraw/zinc/56/21/20/842562120.db2.gz YNWNSVAGWRMQGE-HZSPNIEDSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980566 842562324 /nfs/dbraw/zinc/56/23/24/842562324.db2.gz YNWNSVAGWRMQGE-MGPQQGTHSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001101982944 842561930 /nfs/dbraw/zinc/56/19/30/842561930.db2.gz TZRSSQRVSZQCEG-NYTXWWLZSA-N 0 3 359.492 -0.402 20 0 FBADHN C[C@@H]1CN(Cc2cncs2)C[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001101983761 842561462 /nfs/dbraw/zinc/56/14/62/842561462.db2.gz KFQPYKQRZFPQJG-GHMZBOCLSA-N 0 3 363.447 -0.282 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001101987864 842563497 /nfs/dbraw/zinc/56/34/97/842563497.db2.gz JSTAPPKLPNIIAO-FRRDWIJNSA-N 0 3 362.496 -0.914 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001101987865 842563709 /nfs/dbraw/zinc/56/37/09/842563709.db2.gz JSTAPPKLPNIIAO-JHJVBQTASA-N 0 3 362.496 -0.914 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001101987921 842563968 /nfs/dbraw/zinc/56/39/68/842563968.db2.gz LMPONEZPIPBEHF-HZSPNIEDSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001101987922 842564281 /nfs/dbraw/zinc/56/42/81/842564281.db2.gz LMPONEZPIPBEHF-MGPQQGTHSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001101987965 842564248 /nfs/dbraw/zinc/56/42/48/842564248.db2.gz MTBRPYBUPKMVGW-HZSPNIEDSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001101987966 842563149 /nfs/dbraw/zinc/56/31/49/842563149.db2.gz MTBRPYBUPKMVGW-MGPQQGTHSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001101988289 842564135 /nfs/dbraw/zinc/56/41/35/842564135.db2.gz ZBYOXUFGISZCDA-UMVBOHGHSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001101988290 842563188 /nfs/dbraw/zinc/56/31/88/842563188.db2.gz ZBYOXUFGISZCDA-VNHYZAJKSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CNC(=O)C1CCCC1 ZINC001101992209 842564113 /nfs/dbraw/zinc/56/41/13/842564113.db2.gz FHDLUWUTDNKYGZ-BPLDGKMQSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CNC(=O)C1CCCC1 ZINC001101992210 842562916 /nfs/dbraw/zinc/56/29/16/842562916.db2.gz FHDLUWUTDNKYGZ-YUELXQCFSA-N 0 3 350.463 -0.135 20 0 FBADHN Cc1occc1C(=O)NCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001101992222 842563986 /nfs/dbraw/zinc/56/39/86/842563986.db2.gz FMCKSDZVFZHJJK-NQBHXWOUSA-N 0 3 350.419 -0.124 20 0 FBADHN Cc1occc1C(=O)NCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001101992223 842563585 /nfs/dbraw/zinc/56/35/85/842563585.db2.gz FMCKSDZVFZHJJK-NTZNESFSSA-N 0 3 350.419 -0.124 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(=O)c2ccoc2)[C@H](C)C1 ZINC001101993215 842566255 /nfs/dbraw/zinc/56/62/55/842566255.db2.gz BZBGPYMNASOYIV-BNOWGMLFSA-N 0 3 350.419 -0.043 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(=O)c2ccoc2)[C@H](C)C1 ZINC001101993216 842564975 /nfs/dbraw/zinc/56/49/75/842564975.db2.gz BZBGPYMNASOYIV-MRVWCRGKSA-N 0 3 350.419 -0.043 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CNC(=O)c2ccoc2)[C@H](C)C1 ZINC001101993278 842565281 /nfs/dbraw/zinc/56/52/81/842565281.db2.gz DTTKEMCYBYIZNO-MBNYWOFBSA-N 0 3 350.419 -0.172 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CNC(=O)c2ccoc2)[C@H](C)C1 ZINC001101993279 842564736 /nfs/dbraw/zinc/56/47/36/842564736.db2.gz DTTKEMCYBYIZNO-YRGRVCCFSA-N 0 3 350.419 -0.172 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)CNC(=O)c1ccoc1 ZINC001101993672 842566196 /nfs/dbraw/zinc/56/61/96/842566196.db2.gz RXTZSFUUYXWTAF-TZMCWYRMSA-N 0 3 350.419 -0.218 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H](C)NC(=O)COC)[C@H](C)C1 ZINC001101994758 842565758 /nfs/dbraw/zinc/56/57/58/842565758.db2.gz ORJBVJMBFIXMPH-HZSPNIEDSA-N 0 3 356.467 -0.700 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H](C)NC(=O)COC)[C@H](C)C1 ZINC001101994759 842565495 /nfs/dbraw/zinc/56/54/95/842565495.db2.gz ORJBVJMBFIXMPH-MGPQQGTHSA-N 0 3 356.467 -0.700 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001101994825 842564945 /nfs/dbraw/zinc/56/49/45/842564945.db2.gz RFTKRMVDVCONKQ-HZSPNIEDSA-N 0 3 354.451 -0.946 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001101994826 842565407 /nfs/dbraw/zinc/56/54/07/842565407.db2.gz RFTKRMVDVCONKQ-MGPQQGTHSA-N 0 3 354.451 -0.946 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001101994860 842565349 /nfs/dbraw/zinc/56/53/49/842565349.db2.gz TXDRFYUTVWVKNY-HZSPNIEDSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001101994861 842565617 /nfs/dbraw/zinc/56/56/17/842565617.db2.gz TXDRFYUTVWVKNY-MGPQQGTHSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001101994870 842565900 /nfs/dbraw/zinc/56/59/00/842565900.db2.gz UJNGPDOAPNYVHF-HZSPNIEDSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001101994871 842565046 /nfs/dbraw/zinc/56/50/46/842565046.db2.gz UJNGPDOAPNYVHF-MGPQQGTHSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001101994934 842565116 /nfs/dbraw/zinc/56/51/16/842565116.db2.gz XRZNHTZKPBTZIG-UMVBOHGHSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001101994935 842564898 /nfs/dbraw/zinc/56/48/98/842564898.db2.gz XRZNHTZKPBTZIG-VNHYZAJKSA-N 0 3 351.451 -0.245 20 0 FBADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001101996991 842567882 /nfs/dbraw/zinc/56/78/82/842567882.db2.gz SGDYNZLQXZGNIB-GRYCIOLGSA-N 0 3 351.455 -0.472 20 0 FBADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC001101996992 842567801 /nfs/dbraw/zinc/56/78/01/842567801.db2.gz SGDYNZLQXZGNIB-IJLUTSLNSA-N 0 3 351.455 -0.472 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007630 842567978 /nfs/dbraw/zinc/56/79/78/842567978.db2.gz GAMDLRORGSNFJG-UKRRQHHQSA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007649 842567007 /nfs/dbraw/zinc/56/70/07/842567007.db2.gz GTYVYLNNWPJQLB-QLFBSQMISA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007650 842566813 /nfs/dbraw/zinc/56/68/13/842566813.db2.gz GTYVYLNNWPJQLB-RBSFLKMASA-N 0 3 369.491 -0.213 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)Cn2nccn2)[C@H](C)C1 ZINC001102007751 842567620 /nfs/dbraw/zinc/56/76/20/842567620.db2.gz LXRWZWJVWBEDPR-ZIAGYGMSSA-N 0 3 351.455 -0.330 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007837 842568317 /nfs/dbraw/zinc/56/83/17/842568317.db2.gz PMWFSYMIJKJKDX-HZSPNIEDSA-N 0 3 355.464 -0.603 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007838 842567393 /nfs/dbraw/zinc/56/73/93/842567393.db2.gz PMWFSYMIJKJKDX-MGPQQGTHSA-N 0 3 355.464 -0.603 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007944 842567055 /nfs/dbraw/zinc/56/70/55/842567055.db2.gz VAAMYGJOIZOPCF-QLFBSQMISA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007945 842568049 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842569860 /nfs/dbraw/zinc/56/98/60/842569860.db2.gz DJOFWKAIOZZROW-TZMCWYRMSA-N 0 3 357.480 -0.457 20 0 FBADHN C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001102016604 842569465 /nfs/dbraw/zinc/56/94/65/842569465.db2.gz DUSPLXYJKOFQOY-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CCS(=O)(=O)NCC(=O)NC[C@@H]1CN(Cc2nccnc2C)C[C@H]1C ZINC001102016691 842570111 /nfs/dbraw/zinc/57/01/11/842570111.db2.gz JIHWYRKSZZPJNL-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)CNS(=O)(=O)CC)[C@H](C)C1 ZINC001102016705 842569632 /nfs/dbraw/zinc/56/96/32/842569632.db2.gz JYAUUHHRXAVJGK-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN CCS(=O)(=O)NCC(=O)NC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1C ZINC001102016900 842571326 /nfs/dbraw/zinc/57/13/26/842571326.db2.gz VEDCQEFAUGNYBY-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)CCNS(C)(=O)=O)[C@H](C)C1 ZINC001102016994 842571718 /nfs/dbraw/zinc/57/17/18/842571718.db2.gz ZBJFIWXBXMYDSZ-CHWSQXEVSA-N 0 3 362.496 -0.912 20 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/nfs/dbraw/zinc/57/24/90/842572490.db2.gz XTGRYQNJZLTUGP-UKRRQHHQSA-N 0 3 351.451 -0.291 20 0 FBADHN COCC(=O)NCCC(=O)NC[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102019332 842572608 /nfs/dbraw/zinc/57/26/08/842572608.db2.gz DGDBRXDNKVBPCI-MCIONIFRSA-N 0 3 354.451 -0.946 20 0 FBADHN COCC(=O)NCCC(=O)NC[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102019333 842572902 /nfs/dbraw/zinc/57/29/02/842572902.db2.gz DGDBRXDNKVBPCI-MGPQQGTHSA-N 0 3 354.451 -0.946 20 0 FBADHN COCC(=O)NCCC(=O)NC[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1C ZINC001102019365 842572925 /nfs/dbraw/zinc/57/29/25/842572925.db2.gz GPWONUPPWMMQBQ-MCIONIFRSA-N 0 3 354.451 -0.898 20 0 FBADHN COCC(=O)NCCC(=O)NC[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102019366 842573518 /nfs/dbraw/zinc/57/35/18/842573518.db2.gz GPWONUPPWMMQBQ-MGPQQGTHSA-N 0 3 354.451 -0.898 20 0 FBADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC001102019415 842572219 /nfs/dbraw/zinc/57/22/19/842572219.db2.gz JPYRQHOMXMLXQG-HZSPNIEDSA-N 0 3 356.467 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842574928 /nfs/dbraw/zinc/57/49/28/842574928.db2.gz LSQNBLIPLMAJBO-ZIAGYGMSSA-N 0 3 351.451 -0.243 20 0 FBADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102019535 842574204 /nfs/dbraw/zinc/57/42/04/842574204.db2.gz OEGVQYOUQVGPIA-MCIONIFRSA-N 0 3 354.451 -0.994 20 0 FBADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102019536 842575186 /nfs/dbraw/zinc/57/51/86/842575186.db2.gz OEGVQYOUQVGPIA-MGPQQGTHSA-N 0 3 354.451 -0.994 20 0 FBADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1C ZINC001102019660 842574117 /nfs/dbraw/zinc/57/41/17/842574117.db2.gz VCUVNBJQLVEBQA-MCIONIFRSA-N 0 3 354.451 -0.946 20 0 FBADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102019661 842574725 /nfs/dbraw/zinc/57/47/25/842574725.db2.gz VCUVNBJQLVEBQA-MGPQQGTHSA-N 0 3 354.451 -0.946 20 0 FBADHN COCC(=O)NCCC(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102019684 842574818 /nfs/dbraw/zinc/57/48/18/842574818.db2.gz WELVHGKSJFWSJC-UKRRQHHQSA-N 0 3 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842578189 /nfs/dbraw/zinc/57/81/89/842578189.db2.gz VHIONJIKRIIWNT-CHWSQXEVSA-N 0 3 353.467 -0.390 20 0 FBADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001102029127 842578296 /nfs/dbraw/zinc/57/82/96/842578296.db2.gz FTGHREHYBMYGDK-JHJVBQTASA-N 0 3 355.410 -0.006 20 0 FBADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001102029128 842577846 /nfs/dbraw/zinc/57/78/46/842577846.db2.gz FTGHREHYBMYGDK-UPJWGTAASA-N 0 3 355.410 -0.006 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C2(F)CCOCC2)[C@H](C)C1 ZINC001102030814 842577661 /nfs/dbraw/zinc/57/76/61/842577661.db2.gz FMSXPDGBGSZZBU-GRYCIOLGSA-N 0 3 358.414 -0.227 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C2(F)CCOCC2)[C@H](C)C1 ZINC001102030815 842578212 /nfs/dbraw/zinc/57/82/12/842578212.db2.gz FMSXPDGBGSZZBU-IJLUTSLNSA-N 0 3 358.414 -0.227 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](CNC(=O)CCc2cnc[nH]2)[C@H](C)C1 ZINC001102030830 842578028 /nfs/dbraw/zinc/57/80/28/842578028.db2.gz 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842580323 /nfs/dbraw/zinc/58/03/23/842580323.db2.gz IVEHRQLASTVXTM-QLFBSQMISA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001102043694 842580071 /nfs/dbraw/zinc/58/00/71/842580071.db2.gz IVEHRQLASTVXTM-RBSFLKMASA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001102043819 842580209 /nfs/dbraw/zinc/58/02/09/842580209.db2.gz MYRGWVDACZKQON-BPLDGKMQSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001102043820 842580050 /nfs/dbraw/zinc/58/00/50/842580050.db2.gz MYRGWVDACZKQON-VHDGCEQUSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001102044079 842580083 /nfs/dbraw/zinc/58/00/83/842580083.db2.gz VPYNODWGVNRYIE-HZSPNIEDSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001102044080 842579924 /nfs/dbraw/zinc/57/99/24/842579924.db2.gz VPYNODWGVNRYIE-MGPQQGTHSA-N 0 3 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CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102241413 842610339 /nfs/dbraw/zinc/61/03/39/842610339.db2.gz SUUAFVROOFVSCG-FRRDWIJNSA-N 0 3 351.455 -0.237 20 0 FBADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102241414 842610257 /nfs/dbraw/zinc/61/02/57/842610257.db2.gz SUUAFVROOFVSCG-JHJVBQTASA-N 0 3 351.455 -0.237 20 0 FBADHN CCN(CC)C(=O)[C@H](C)N1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102243032 842611761 /nfs/dbraw/zinc/61/17/61/842611761.db2.gz UALJVAJYDROAJW-FRRDWIJNSA-N 0 3 351.455 -0.235 20 0 FBADHN CCN(CC)C(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102243033 842611020 /nfs/dbraw/zinc/61/10/20/842611020.db2.gz UALJVAJYDROAJW-JHJVBQTASA-N 0 3 351.455 -0.235 20 0 FBADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102243210 842612030 /nfs/dbraw/zinc/61/20/30/842612030.db2.gz ZZMHMYCYNYKREL-GRYCIOLGSA-N 0 3 351.455 -0.189 20 0 FBADHN 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ZINC001102250692 842611741 /nfs/dbraw/zinc/61/17/41/842611741.db2.gz HAIDEKBWXXCYSP-NXEZZACHSA-N 0 3 362.477 -0.304 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](C)C1 ZINC001102250923 842611665 /nfs/dbraw/zinc/61/16/65/842611665.db2.gz OZHCQRZLBZUCGS-KXUCPTDWSA-N 0 3 369.447 -0.010 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](C)C1 ZINC001102250924 842611565 /nfs/dbraw/zinc/61/15/65/842611565.db2.gz OZHCQRZLBZUCGS-OPRDCNLKSA-N 0 3 369.447 -0.010 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001102250953 842611345 /nfs/dbraw/zinc/61/13/45/842611345.db2.gz QEGBQVBMKJBBBU-BPLDGKMQSA-N 0 3 350.463 -0.325 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001102250954 842611480 /nfs/dbraw/zinc/61/14/80/842611480.db2.gz QEGBQVBMKJBBBU-YUELXQCFSA-N 0 3 350.463 -0.325 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](C)C1 ZINC001102251173 842611320 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370.475 -0.063 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)Cc1cnoc1 ZINC001102267707 842613773 /nfs/dbraw/zinc/61/37/73/842613773.db2.gz CCTQTIYZUZJZMJ-UKRRQHHQSA-N 0 3 350.419 -0.240 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1cnoc1 ZINC001102267870 842613598 /nfs/dbraw/zinc/61/35/98/842613598.db2.gz KOKVKPORMITYHZ-TZMCWYRMSA-N 0 3 358.464 -0.207 20 0 FBADHN Cc1ncc(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)n1C ZINC001102272324 842613719 /nfs/dbraw/zinc/61/37/19/842613719.db2.gz RWTQZVGXELMXCD-TZMCWYRMSA-N 0 3 371.507 -0.082 20 0 FBADHN CCNC(=O)CN1C[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](C)C1 ZINC001102273476 842613836 /nfs/dbraw/zinc/61/38/36/842613836.db2.gz CMHLVRQKFRUFLU-BZUAXINKSA-N 0 3 354.495 -0.084 20 0 FBADHN CCNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](C)C1 ZINC001102273477 842613691 /nfs/dbraw/zinc/61/36/91/842613691.db2.gz CMHLVRQKFRUFLU-OAGGEKHMSA-N 0 3 354.495 -0.084 20 0 FBADHN Cc1ncc(C(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)n1C 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MJDLUJUYJRABLA-CPUCHLNUSA-N 0 3 357.426 -0.342 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)COc2cnn(C)c2)[C@H](C)C1 ZINC001102285301 842612553 /nfs/dbraw/zinc/61/25/53/842612553.db2.gz KAMDALUHSKUPDH-ZIAGYGMSSA-N 0 3 351.451 -0.039 20 0 FBADHN C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286880 842613316 /nfs/dbraw/zinc/61/33/16/842613316.db2.gz BEEATXQWNABNHZ-CHWSQXEVSA-N 0 3 350.467 -0.366 20 0 FBADHN C[C@H](CN1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1)CS(C)(=O)=O ZINC001102286942 842613292 /nfs/dbraw/zinc/61/32/92/842613292.db2.gz FPTITKPEDXSJGC-JHJVBQTASA-N 0 3 370.475 -0.252 20 0 FBADHN C[C@@H](CN1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1)CS(C)(=O)=O ZINC001102286943 842613387 /nfs/dbraw/zinc/61/33/87/842613387.db2.gz FPTITKPEDXSJGC-YNEHKIRRSA-N 0 3 370.475 -0.252 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)COc2cnn(C)c2)[C@H](C)C1 ZINC001102287023 842613528 /nfs/dbraw/zinc/61/35/28/842613528.db2.gz JECYTHKPDCAXQB-HZSPNIEDSA-N 0 3 351.451 -0.040 20 0 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ZINC001102292391 842615580 /nfs/dbraw/zinc/61/55/80/842615580.db2.gz LKQMFCKOBCMNHT-GMTAPVOTSA-N 0 3 352.357 -0.069 20 0 FBADHN C[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001102292392 842615550 /nfs/dbraw/zinc/61/55/50/842615550.db2.gz LKQMFCKOBCMNHT-MXWKQRLJSA-N 0 3 352.357 -0.069 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001102292642 842615657 /nfs/dbraw/zinc/61/56/57/842615657.db2.gz WXFPKCXUUYPMIV-BNOWGMLFSA-N 0 3 351.451 -0.780 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001102292643 842614985 /nfs/dbraw/zinc/61/49/85/842614985.db2.gz WXFPKCXUUYPMIV-MRVWCRGKSA-N 0 3 351.451 -0.780 20 0 FBADHN C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102296920 842615298 /nfs/dbraw/zinc/61/52/98/842615298.db2.gz AFLVUDRJZDCGPM-CHWSQXEVSA-N 0 3 357.480 -0.327 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)CCCS(N)(=O)=O)[C@H](C)C1 ZINC001102296992 842615567 /nfs/dbraw/zinc/61/55/67/842615567.db2.gz DEXPTGBFFVNVDQ-CHWSQXEVSA-N 0 3 362.496 -0.783 20 0 FBADHN C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102297010 842614814 /nfs/dbraw/zinc/61/48/14/842614814.db2.gz DYKCFJQTVSZWFU-JHJVBQTASA-N 0 3 360.480 -0.982 20 0 FBADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102297011 842615572 /nfs/dbraw/zinc/61/55/72/842615572.db2.gz DYKCFJQTVSZWFU-UPJWGTAASA-N 0 3 360.480 -0.982 20 0 FBADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102297125 842614566 /nfs/dbraw/zinc/61/45/66/842614566.db2.gz KDWKSLHSXHUTIA-TZMCWYRMSA-N 0 3 357.480 -0.327 20 0 FBADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102297195 842615560 /nfs/dbraw/zinc/61/55/60/842615560.db2.gz NGNUHYDUIDPBHW-CHWSQXEVSA-N 0 3 357.480 -0.327 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CCCS(N)(=O)=O)[C@H](C)C1 ZINC001102298127 842616339 /nfs/dbraw/zinc/61/63/39/842616339.db2.gz KUFACJMFIFCDRP-FRRDWIJNSA-N 0 3 362.496 -0.784 20 0 FBADHN C[C@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CCCS(N)(=O)=O)[C@H](C)C1 ZINC001102298136 842616778 /nfs/dbraw/zinc/61/67/78/842616778.db2.gz KUFACJMFIFCDRP-JHJVBQTASA-N 0 3 362.496 -0.784 20 0 FBADHN CCN(C(=O)CN1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1)C1CC1 ZINC001102298175 842616255 /nfs/dbraw/zinc/61/62/55/842616255.db2.gz LVVYXNPPZDVQGP-CHWSQXEVSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H](C(=O)NCCc1cccs1)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102300896 842616219 /nfs/dbraw/zinc/61/62/19/842616219.db2.gz HZLVVJIMGVXYQO-FRRDWIJNSA-N 0 3 366.487 -0.035 20 0 FBADHN C[C@H](C(=O)NCCc1cccs1)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102300897 842616154 /nfs/dbraw/zinc/61/61/54/842616154.db2.gz HZLVVJIMGVXYQO-JHJVBQTASA-N 0 3 366.487 -0.035 20 0 FBADHN CNS(=O)(=O)c1ccc(CN2C[C@@H](CNC(=O)C(N)=O)[C@H](C)C2)cc1 ZINC001102305986 842616428 /nfs/dbraw/zinc/61/64/28/842616428.db2.gz AJEWOYSADHRILL-DGCLKSJQSA-N 0 3 368.459 -0.736 20 0 FBADHN CC(C)CNC(=O)NC(=O)[C@H](C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306293 842616794 /nfs/dbraw/zinc/61/67/94/842616794.db2.gz NNNMSSZVDSZEGD-GRYCIOLGSA-N 0 3 355.439 -0.974 20 0 FBADHN CC(C)CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306294 842616965 /nfs/dbraw/zinc/61/69/65/842616965.db2.gz NNNMSSZVDSZEGD-IJLUTSLNSA-N 0 3 355.439 -0.974 20 0 FBADHN Cc1cc(=O)n2nc(CN3C[C@@H](CNC(=O)C(N)=O)[C@H](C)C3)sc2n1 ZINC001102306436 842616333 /nfs/dbraw/zinc/61/63/33/842616333.db2.gz UJALGXCJUKCGPK-PSASIEDQSA-N 0 3 364.431 -0.871 20 0 FBADHN C[C@@H](C1CC1)N(C(=O)CN1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1)C1CC1 ZINC001102306467 842616082 /nfs/dbraw/zinc/61/60/82/842616082.db2.gz VPUIDABVPUKCKN-MBNYWOFBSA-N 0 3 350.463 -0.055 20 0 FBADHN C[C@H](C1CC1)N(C(=O)CN1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1)C1CC1 ZINC001102306468 842616714 /nfs/dbraw/zinc/61/67/14/842616714.db2.gz VPUIDABVPUKCKN-YRGRVCCFSA-N 0 3 350.463 -0.055 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102307254 842618119 /nfs/dbraw/zinc/61/81/19/842618119.db2.gz FAPLKZKLBHUZCU-TZMCWYRMSA-N 0 3 350.463 -0.196 20 0 FBADHN C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102307370 842617661 /nfs/dbraw/zinc/61/76/61/842617661.db2.gz FPZHMLGNQSIQRP-HZSPNIEDSA-N 0 3 371.503 -0.239 20 0 FBADHN C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102307371 842618130 /nfs/dbraw/zinc/61/81/30/842618130.db2.gz FPZHMLGNQSIQRP-MGPQQGTHSA-N 0 3 371.503 -0.239 20 0 FBADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102307389 842617732 /nfs/dbraw/zinc/61/77/32/842617732.db2.gz GNQDIIJZXGLHSB-TZMCWYRMSA-N 0 3 371.503 -0.239 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102307706 842617524 /nfs/dbraw/zinc/61/75/24/842617524.db2.gz OFOHUCRIWIOZNI-ZIAGYGMSSA-N 0 3 350.463 -0.052 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1 ZINC001102308684 842618029 /nfs/dbraw/zinc/61/80/29/842618029.db2.gz CKQIBAJNCUGNEF-CHWSQXEVSA-N 0 3 353.467 -0.356 20 0 FBADHN C[C@H](CN1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1)CS(C)(=O)=O ZINC001102308692 842618146 /nfs/dbraw/zinc/61/81/46/842618146.db2.gz CZQDAMQNLYCLAX-JHJVBQTASA-N 0 3 359.492 -0.383 20 0 FBADHN C[C@@H](CN1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1)CS(C)(=O)=O ZINC001102308693 842618217 /nfs/dbraw/zinc/61/82/17/842618217.db2.gz CZQDAMQNLYCLAX-YNEHKIRRSA-N 0 3 359.492 -0.383 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102309187 842618004 /nfs/dbraw/zinc/61/80/04/842618004.db2.gz OARFEOIIGGUWIV-HZSPNIEDSA-N 0 3 371.503 -0.239 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102309188 842617845 /nfs/dbraw/zinc/61/78/45/842617845.db2.gz OARFEOIIGGUWIV-MGPQQGTHSA-N 0 3 371.503 -0.239 20 0 FBADHN CC(C)N1CC[C@H](N2C[C@@H](CNC(=O)C3(C(N)=O)CC3)[C@H](C)C2)C1=O ZINC001102309190 842618413 /nfs/dbraw/zinc/61/84/13/842618413.db2.gz OBNIKGDHPZBZAX-MCIONIFRSA-N 0 3 350.463 -0.055 20 0 FBADHN CC(C)N1CC[C@@H](N2C[C@@H](CNC(=O)C3(C(N)=O)CC3)[C@H](C)C2)C1=O ZINC001102309192 842618270 /nfs/dbraw/zinc/61/82/70/842618270.db2.gz OBNIKGDHPZBZAX-MGPQQGTHSA-N 0 3 350.463 -0.055 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102309304 842618491 /nfs/dbraw/zinc/61/84/91/842618491.db2.gz SXLXPJVXBQKJTI-FRRDWIJNSA-N 0 3 357.476 -0.629 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102309305 842617885 /nfs/dbraw/zinc/61/78/85/842617885.db2.gz SXLXPJVXBQKJTI-JHJVBQTASA-N 0 3 357.476 -0.629 20 0 FBADHN Cc1csc2nc(CN3C[C@@H](CNC(=O)C(N)=O)[C@H](C)C3)cc(=O)n12 ZINC001102309606 842617615 /nfs/dbraw/zinc/61/76/15/842617615.db2.gz DOUQDTSJJVNELG-MWLCHTKSSA-N 0 3 363.443 -0.266 20 0 FBADHN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102310383 842617982 /nfs/dbraw/zinc/61/79/82/842617982.db2.gz SXKRMDGTHBLKJU-GMTAPVOTSA-N 0 3 355.439 -0.831 20 0 FBADHN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102310384 842617812 /nfs/dbraw/zinc/61/78/12/842617812.db2.gz SXKRMDGTHBLKJU-OUAUKWLOSA-N 0 3 355.439 -0.831 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)[C@H](C)C1 ZINC001102322148 842620163 /nfs/dbraw/zinc/62/01/63/842620163.db2.gz HRLOQPYBKVOZCF-KXUCPTDWSA-N 0 3 352.395 -0.993 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)[C@H](C)C1 ZINC001102322149 842619444 /nfs/dbraw/zinc/61/94/44/842619444.db2.gz HRLOQPYBKVOZCF-OPRDCNLKSA-N 0 3 352.395 -0.993 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC2=CCOCC2)[C@H](C)C1 ZINC001102330260 842619695 /nfs/dbraw/zinc/61/96/95/842619695.db2.gz LGBHTFJTEPDBSR-MBNYWOFBSA-N 0 3 352.435 -0.009 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC2=CCOCC2)[C@H](C)C1 ZINC001102330261 842620089 /nfs/dbraw/zinc/62/00/89/842620089.db2.gz LGBHTFJTEPDBSR-YRGRVCCFSA-N 0 3 352.435 -0.009 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001102331668 842619995 /nfs/dbraw/zinc/61/99/95/842619995.db2.gz NNZPUGONCZCANE-LBTNJELSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1n[nH]cc1F ZINC001102331756 842619673 /nfs/dbraw/zinc/61/96/73/842619673.db2.gz QNOHSEJWEHTBJI-GHMZBOCLSA-N 0 3 361.443 -0.262 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001102331827 842619825 /nfs/dbraw/zinc/61/98/25/842619825.db2.gz UGJUQSIADCQGFI-VFVRVIDISA-N 0 3 350.463 -0.040 20 0 FBADHN COC[C@H](OC)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102341220 842619366 /nfs/dbraw/zinc/61/93/66/842619366.db2.gz WXVOORYNJRTDDX-KFWWJZLASA-N 0 3 357.451 -0.809 20 0 FBADHN COC[C@@H](OC)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102341223 842620256 /nfs/dbraw/zinc/62/02/56/842620256.db2.gz WXVOORYNJRTDDX-RBSFLKMASA-N 0 3 357.451 -0.809 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001102344147 842619528 /nfs/dbraw/zinc/61/95/28/842619528.db2.gz WCDGCEWOYKPMSD-DFHBCGBQSA-N 0 3 350.463 -0.135 20 0 FBADHN COC[C@H](OC)C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102344807 842619238 /nfs/dbraw/zinc/61/92/38/842619238.db2.gz LRPVUAIDNGKNLX-MCIONIFRSA-N 0 3 365.496 -0.777 20 0 FBADHN COC[C@@H](OC)C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102344809 842619490 /nfs/dbraw/zinc/61/94/90/842619490.db2.gz LRPVUAIDNGKNLX-MGPQQGTHSA-N 0 3 365.496 -0.777 20 0 FBADHN Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102352672 842622030 /nfs/dbraw/zinc/62/20/30/842622030.db2.gz PDCCPNPDOIFFSX-CHWSQXEVSA-N 0 3 370.475 -0.057 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)c1cccc(=O)n1C ZINC001102354136 842621580 /nfs/dbraw/zinc/62/15/80/842621580.db2.gz ZLVJXOZMYHHZCS-CHWSQXEVSA-N 0 3 370.475 -0.768 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 ZINC001102359586 842621241 /nfs/dbraw/zinc/62/12/41/842621241.db2.gz RRSSXCWZIIUPTB-YIYPIFLZSA-N 0 3 354.451 -0.818 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC001102360868 842621260 /nfs/dbraw/zinc/62/12/60/842621260.db2.gz DXHINRJGSWYJFC-SNUQEOBHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC001102360869 842621678 /nfs/dbraw/zinc/62/16/78/842621678.db2.gz DXHINRJGSWYJFC-VFVRVIDISA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC001102361018 842621020 /nfs/dbraw/zinc/62/10/20/842621020.db2.gz JBEGUZDUMBLSKG-HBUWYVDXSA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC001102361019 842621196 /nfs/dbraw/zinc/62/11/96/842621196.db2.gz JBEGUZDUMBLSKG-LBTNJELSSA-N 0 3 350.463 -0.181 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC001102364839 842621099 /nfs/dbraw/zinc/62/10/99/842621099.db2.gz DSTYRFMSROTNRB-DFHBCGBQSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC001102364840 842621840 /nfs/dbraw/zinc/62/18/40/842621840.db2.gz DSTYRFMSROTNRB-RVZJWNSFSA-N 0 3 350.463 -0.277 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C)C1 ZINC001102368378 842621312 /nfs/dbraw/zinc/62/13/12/842621312.db2.gz QZFGGRXQRMRIGO-SYQHCUMBSA-N 0 3 353.467 -0.501 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001102368505 842621726 /nfs/dbraw/zinc/62/17/26/842621726.db2.gz XCUIFKCUTMGAKO-NGFQHRJXSA-N 0 3 350.463 -0.340 20 0 FBADHN CCN(C(=O)CN1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C)C1)C1CC1 ZINC001102373835 842623531 /nfs/dbraw/zinc/62/35/31/842623531.db2.gz OFZQWAAWWSLRBM-GBOPCIDUSA-N 0 3 350.463 -0.197 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC001102373928 842622859 /nfs/dbraw/zinc/62/28/59/842622859.db2.gz TYTUZYKGYYAEKP-APIJFGDWSA-N 0 3 352.479 -0.127 20 0 FBADHN Cc1nc(C)c(C(=O)NC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)[nH]1 ZINC001102377182 842623024 /nfs/dbraw/zinc/62/30/24/842623024.db2.gz SADKLWDGONEDLK-ZWNOBZJWSA-N 0 3 357.480 -0.127 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CCc2cnn(C)n2)[C@H](C)C1 ZINC001102377726 842623751 /nfs/dbraw/zinc/62/37/51/842623751.db2.gz FHEOSRJUUHGWDX-HZSPNIEDSA-N 0 3 350.467 -0.092 20 0 FBADHN C[C@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CCc2cnn(C)n2)[C@H](C)C1 ZINC001102377728 842623879 /nfs/dbraw/zinc/62/38/79/842623879.db2.gz FHEOSRJUUHGWDX-MGPQQGTHSA-N 0 3 350.467 -0.092 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)CCc2cnn(C)n2)[C@H](C)C1 ZINC001102378272 842623196 /nfs/dbraw/zinc/62/31/96/842623196.db2.gz REEMHLIDCHKWRI-ZIAGYGMSSA-N 0 3 350.467 -0.090 20 0 FBADHN Cc1nc(C)c(C(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]1 ZINC001102379328 842624055 /nfs/dbraw/zinc/62/40/55/842624055.db2.gz QRHCURICNQYQNJ-HLUHBDAQSA-N 0 3 350.423 -0.092 20 0 FBADHN Cc1nc(C)c(C(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]1 ZINC001102379330 842623514 /nfs/dbraw/zinc/62/35/14/842623514.db2.gz QRHCURICNQYQNJ-UBHAPETDSA-N 0 3 350.423 -0.092 20 0 FBADHN Cc1ccn(CC(=O)NC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)n1 ZINC001102381867 842622649 /nfs/dbraw/zinc/62/26/49/842622649.db2.gz FILLIGNMEZKHGA-KGYLQXTDSA-N 0 3 350.423 -0.541 20 0 FBADHN Cc1ccn(CC(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)n1 ZINC001102381868 842623810 /nfs/dbraw/zinc/62/38/10/842623810.db2.gz FILLIGNMEZKHGA-RAIGVLPGSA-N 0 3 350.423 -0.541 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102385064 842623280 /nfs/dbraw/zinc/62/32/80/842623280.db2.gz QJMYTXVLFNKVKA-TUVASFSCSA-N 0 3 361.508 -0.013 20 0 FBADHN Cc1ccn(CC(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)n1 ZINC001102386044 842623493 /nfs/dbraw/zinc/62/34/93/842623493.db2.gz AQLQPJKJCRUBNF-UKRRQHHQSA-N 0 3 371.507 -0.233 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1c[nH]nn1 ZINC001102389068 842623331 /nfs/dbraw/zinc/62/33/31/842623331.db2.gz LPSSNYIUONCPGV-CHWSQXEVSA-N 0 3 357.480 -0.144 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1cn[nH]n1 ZINC001102389068 842623322 /nfs/dbraw/zinc/62/33/22/842623322.db2.gz LPSSNYIUONCPGV-CHWSQXEVSA-N 0 3 357.480 -0.144 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1ccnnc1 ZINC001102399134 842625216 /nfs/dbraw/zinc/62/52/16/842625216.db2.gz XRLONUGPPIDZJS-TZMCWYRMSA-N 0 3 355.464 -0.334 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102401441 842625100 /nfs/dbraw/zinc/62/51/00/842625100.db2.gz FTWLOENNQUANCB-FRRDWIJNSA-N 0 3 357.480 -0.458 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102401442 842624860 /nfs/dbraw/zinc/62/48/60/842624860.db2.gz FTWLOENNQUANCB-JHJVBQTASA-N 0 3 357.480 -0.458 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102401765 842625341 /nfs/dbraw/zinc/62/53/41/842625341.db2.gz LFOHQGAPDWZIRO-MBNYWOFBSA-N 0 3 357.480 -0.458 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102401766 842624902 /nfs/dbraw/zinc/62/49/02/842624902.db2.gz LFOHQGAPDWZIRO-YRGRVCCFSA-N 0 3 357.480 -0.458 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 ZINC001102401774 842625162 /nfs/dbraw/zinc/62/51/62/842625162.db2.gz LROXEPIQNWWYES-FRRDWIJNSA-N 0 3 362.496 -0.914 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C1 ZINC001102401775 842624764 /nfs/dbraw/zinc/62/47/64/842624764.db2.gz LROXEPIQNWWYES-JHJVBQTASA-N 0 3 362.496 -0.914 20 0 FBADHN Cc1ccc(C(=O)NC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)c(=O)[nH]1 ZINC001102402022 842624894 /nfs/dbraw/zinc/62/48/94/842624894.db2.gz RNKZOHSSUTUMHE-DGCLKSJQSA-N 0 3 370.475 -0.057 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102402296 842625087 /nfs/dbraw/zinc/62/50/87/842625087.db2.gz YNAFUWAEPOKKAU-FRRDWIJNSA-N 0 3 357.480 -0.458 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102402297 842625674 /nfs/dbraw/zinc/62/56/74/842625674.db2.gz YNAFUWAEPOKKAU-JHJVBQTASA-N 0 3 357.480 -0.458 20 0 FBADHN Cc1cc(CN2C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C2)ncn1 ZINC001102404652 842625621 /nfs/dbraw/zinc/62/56/21/842625621.db2.gz GNOVBKXYYWGUCJ-KWCYVHTRSA-N 0 3 369.491 -0.093 20 0 FBADHN Cc1cc(CN2C[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C2)ncn1 ZINC001102404653 842624872 /nfs/dbraw/zinc/62/48/72/842624872.db2.gz GNOVBKXYYWGUCJ-MRVWCRGKSA-N 0 3 369.491 -0.093 20 0 FBADHN Cc1nccnc1CN1C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 ZINC001102404973 842625012 /nfs/dbraw/zinc/62/50/12/842625012.db2.gz UHNDLKXLAGUOOB-KWCYVHTRSA-N 0 3 369.491 -0.093 20 0 FBADHN Cc1nccnc1CN1C[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C1 ZINC001102404974 842625071 /nfs/dbraw/zinc/62/50/71/842625071.db2.gz UHNDLKXLAGUOOB-MRVWCRGKSA-N 0 3 369.491 -0.093 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001102406103 842626795 /nfs/dbraw/zinc/62/67/95/842626795.db2.gz BQLYCJCIOPVDNM-ZIAGYGMSSA-N 0 3 369.491 -0.328 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001102406180 842627079 /nfs/dbraw/zinc/62/70/79/842627079.db2.gz GHULOJRRZQAJIY-CHWSQXEVSA-N 0 3 357.480 -0.472 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](CNC(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001102407583 842627099 /nfs/dbraw/zinc/62/70/99/842627099.db2.gz DEOKKXNGEWTDTF-GRYCIOLGSA-N 0 3 350.423 -0.520 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001102407584 842627192 /nfs/dbraw/zinc/62/71/92/842627192.db2.gz DEOKKXNGEWTDTF-IJLUTSLNSA-N 0 3 350.423 -0.520 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cn2cc(Cl)cn2)[C@H](C)C1 ZINC001102412355 842626586 /nfs/dbraw/zinc/62/65/86/842626586.db2.gz LAHZSSRNAQYLDB-GMTAPVOTSA-N 0 3 370.841 -0.196 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cn2cc(Cl)cn2)[C@H](C)C1 ZINC001102412356 842627130 /nfs/dbraw/zinc/62/71/30/842627130.db2.gz LAHZSSRNAQYLDB-OUAUKWLOSA-N 0 3 370.841 -0.196 20 0 FBADHN C[C@@H]1CN(Cc2ccccn2)C[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001102413645 842626868 /nfs/dbraw/zinc/62/68/68/842626868.db2.gz OSLLCRIGUCUXMH-ZIAGYGMSSA-N 0 3 369.491 -0.338 20 0 FBADHN Cc1ccnn1CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102413920 842626335 /nfs/dbraw/zinc/62/63/35/842626335.db2.gz WBEQXFVWUSBAES-KGYLQXTDSA-N 0 3 350.423 -0.541 20 0 FBADHN Cc1ccnn1CC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102413921 842627043 /nfs/dbraw/zinc/62/70/43/842627043.db2.gz WBEQXFVWUSBAES-RAIGVLPGSA-N 0 3 350.423 -0.541 20 0 FBADHN C[C@@H]1CN(Cc2cccnc2)C[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001102413964 842627169 /nfs/dbraw/zinc/62/71/69/842627169.db2.gz XOKBFNMZCWHWCJ-UKRRQHHQSA-N 0 3 369.491 -0.338 20 0 FBADHN C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001102414520 842626885 /nfs/dbraw/zinc/62/68/85/842626885.db2.gz HLZCIAALNQCHNV-GKUNOOHESA-N 0 3 352.888 -0.181 20 0 FBADHN C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001102414521 842626951 /nfs/dbraw/zinc/62/69/51/842626951.db2.gz HLZCIAALNQCHNV-XLMCQVRKSA-N 0 3 352.888 -0.181 20 0 FBADHN Cc1ccnn1CC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102415779 842628630 /nfs/dbraw/zinc/62/86/30/842628630.db2.gz NCCZUBZIXLYBGA-UKRRQHHQSA-N 0 3 371.507 -0.233 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102420774 842627812 /nfs/dbraw/zinc/62/78/12/842627812.db2.gz LADYRPAVIQDHCE-FRRDWIJNSA-N 0 3 362.496 -0.784 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102420775 842628588 /nfs/dbraw/zinc/62/85/88/842628588.db2.gz LADYRPAVIQDHCE-JHJVBQTASA-N 0 3 362.496 -0.784 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)COC[C@@H]1CCOC1 ZINC001102423489 842629969 /nfs/dbraw/zinc/62/99/69/842629969.db2.gz YMKFYVSEUOJNBT-BZUAXINKSA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)COC[C@H]1CCOC1 ZINC001102423490 842630109 /nfs/dbraw/zinc/63/01/09/842630109.db2.gz YMKFYVSEUOJNBT-OWCLPIDISA-N 0 3 353.463 -0.044 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102427097 842630924 /nfs/dbraw/zinc/63/09/24/842630924.db2.gz BNKYENOBDSJPEQ-FRRDWIJNSA-N 0 3 355.483 -0.097 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1C ZINC001102427098 842631495 /nfs/dbraw/zinc/63/14/95/842631495.db2.gz BNKYENOBDSJPEQ-JHJVBQTASA-N 0 3 355.483 -0.097 20 0 FBADHN C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001102427118 842631024 /nfs/dbraw/zinc/63/10/24/842631024.db2.gz CMAIYRRGQVHMIA-ANDSXOESSA-N 0 3 356.810 -0.156 20 0 FBADHN C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001102427119 842631284 /nfs/dbraw/zinc/63/12/84/842631284.db2.gz CMAIYRRGQVHMIA-YIZUVKHSSA-N 0 3 356.810 -0.156 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001102427272 842631462 /nfs/dbraw/zinc/63/14/62/842631462.db2.gz LPHSVNLZZIASGL-JHJVBQTASA-N 0 3 353.467 -0.343 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001102427273 842631452 /nfs/dbraw/zinc/63/14/52/842631452.db2.gz LPHSVNLZZIASGL-UPJWGTAASA-N 0 3 353.467 -0.343 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001102427491 842630608 /nfs/dbraw/zinc/63/06/08/842630608.db2.gz XBZFYECTBAYZRY-CHWSQXEVSA-N 0 3 355.483 -0.144 20 0 FBADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2(NC(N)=O)CCCCC2)[C@H](C)C1 ZINC001102432255 842631112 /nfs/dbraw/zinc/63/11/12/842631112.db2.gz UBCMNDFGCRTIIE-FRRDWIJNSA-N 0 3 353.467 -0.085 20 0 FBADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2(NC(N)=O)CCCCC2)[C@H](C)C1 ZINC001102432256 842630631 /nfs/dbraw/zinc/63/06/31/842630631.db2.gz UBCMNDFGCRTIIE-JHJVBQTASA-N 0 3 353.467 -0.085 20 0 FBADHN CC(=O)N[C@@H](CC(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C)C(N)=O ZINC001102438792 842631082 /nfs/dbraw/zinc/63/10/82/842631082.db2.gz DCWOOXUTEUKCOA-QKCSRTOESA-N 0 3 367.475 -0.293 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)Cc2cscn2)[C@H](C)C1 ZINC001102441023 842631297 /nfs/dbraw/zinc/63/12/97/842631297.db2.gz 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CC(C)NC(=O)NCCN1C[C@@H](CNC(=O)CC(=O)N(C)C)[C@H](C)C1 ZINC001102446041 842632329 /nfs/dbraw/zinc/63/23/29/842632329.db2.gz LYMMFYQPIGTEHY-ZIAGYGMSSA-N 0 3 355.483 -0.144 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CC(=O)N(C)C ZINC001102446105 842632895 /nfs/dbraw/zinc/63/28/95/842632895.db2.gz OYZSEMXYXVPSGW-ZIAGYGMSSA-N 0 3 354.451 -0.992 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CC(=O)N(C)C ZINC001102446293 842632248 /nfs/dbraw/zinc/63/22/48/842632248.db2.gz XTAPHJIOSVYSCW-CHWSQXEVSA-N 0 3 362.496 -0.960 20 0 FBADHN C[C@@H](CN1C[C@@H](CNC(=O)CC(=O)N(C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102447438 842632579 /nfs/dbraw/zinc/63/25/79/842632579.db2.gz BMGKIINCRGVMTD-BFHYXJOUSA-N 0 3 361.508 -0.171 20 0 FBADHN C[C@H](CN1C[C@@H](CNC(=O)CC(=O)N(C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102447439 842632914 /nfs/dbraw/zinc/63/29/14/842632914.db2.gz BMGKIINCRGVMTD-MGPQQGTHSA-N 0 3 361.508 -0.171 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C1 ZINC001102448968 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842664367 /nfs/dbraw/zinc/66/43/67/842664367.db2.gz GASKURSSAYFTOH-ADEWGFFLSA-N 0 3 351.407 -0.260 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001102577475 842664424 /nfs/dbraw/zinc/66/44/24/842664424.db2.gz GASKURSSAYFTOH-YUSALJHKSA-N 0 3 351.407 -0.260 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1ccn(C)n1 ZINC001102578349 842666004 /nfs/dbraw/zinc/66/60/04/842666004.db2.gz XXFSYYBMJDYEBP-CHWSQXEVSA-N 0 3 357.480 -0.391 20 0 FBADHN Cc1nccn1CC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102578973 842665458 /nfs/dbraw/zinc/66/54/58/842665458.db2.gz BYKJYKNSIHDKQA-NQBHXWOUSA-N 0 3 350.423 -0.541 20 0 FBADHN Cc1nccn1CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102578974 842665222 /nfs/dbraw/zinc/66/52/22/842665222.db2.gz BYKJYKNSIHDKQA-NTZNESFSSA-N 0 3 350.423 -0.541 20 0 FBADHN Cc1nccn1CC(=O)NC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102579001 842666294 /nfs/dbraw/zinc/66/62/94/842666294.db2.gz DHUBIJQOBOLWSK-TZMCWYRMSA-N 0 3 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/nfs/dbraw/zinc/66/87/11/842668711.db2.gz NCBXBMIJMOHLKL-FRRDWIJNSA-N 0 3 362.496 -0.866 20 0 FBADHN CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CS(=O)(=O)NC)[C@H](C)C1 ZINC001102583498 842669286 /nfs/dbraw/zinc/66/92/86/842669286.db2.gz NCBXBMIJMOHLKL-JHJVBQTASA-N 0 3 362.496 -0.866 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CCN1CCCC1=O ZINC001102583612 842669068 /nfs/dbraw/zinc/66/90/68/842669068.db2.gz RQTPRYBQVNKTIM-HUUCEWRRSA-N 0 3 350.463 -0.085 20 0 FBADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[C@H](C)C1 ZINC001102583643 842668524 /nfs/dbraw/zinc/66/85/24/842668524.db2.gz TWNAOFCLPNJLBU-GRYCIOLGSA-N 0 3 362.496 -0.738 20 0 FBADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[C@H](C)C1 ZINC001102583644 842669263 /nfs/dbraw/zinc/66/92/63/842669263.db2.gz TWNAOFCLPNJLBU-IJLUTSLNSA-N 0 3 362.496 -0.738 20 0 FBADHN CCCS(=O)(=O)CC(=O)NC[C@@H]1CN(C[C@H](O)COC)C[C@H]1C ZINC001102583799 842669135 /nfs/dbraw/zinc/66/91/35/842669135.db2.gz CAXPMFMXWCPLPF-MCIONIFRSA-N 0 3 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842679518 /nfs/dbraw/zinc/67/95/18/842679518.db2.gz MZXKNMCHJLMNLJ-HUUCEWRRSA-N 0 3 369.491 -0.397 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](CNC(=O)Cn2ccnc2)[C@H](C)C1 ZINC001102616820 842680042 /nfs/dbraw/zinc/68/00/42/842680042.db2.gz TYNSYQHDWOGHGR-ZIAGYGMSSA-N 0 3 357.480 -0.494 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)Cn1ccnc1 ZINC001102616844 842680134 /nfs/dbraw/zinc/68/01/34/842680134.db2.gz UVUNTCDUNXEXRQ-ZIAGYGMSSA-N 0 3 357.480 -0.541 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2[nH]cnc2C)[C@H](C)C1 ZINC001102619033 842679133 /nfs/dbraw/zinc/67/91/33/842679133.db2.gz QHHBNYIWHOLELV-ADEWGFFLSA-N 0 3 350.423 -0.140 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2[nH]cnc2C)[C@H](C)C1 ZINC001102619034 842680251 /nfs/dbraw/zinc/68/02/51/842680251.db2.gz QHHBNYIWHOLELV-YUSALJHKSA-N 0 3 350.423 -0.140 20 0 FBADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CCc2cn(C)nn2)[C@H](C)C1 ZINC001102619461 842679667 /nfs/dbraw/zinc/67/96/67/842679667.db2.gz 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CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@H](C)N2CCOCC2)[C@H](C)C1 ZINC001102621912 842681107 /nfs/dbraw/zinc/68/11/07/842681107.db2.gz WGXBLVVUZDJYOQ-OWCLPIDISA-N 0 3 354.495 -0.084 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)[C@H](C)C1 ZINC001102622697 842681888 /nfs/dbraw/zinc/68/18/88/842681888.db2.gz FYSZOSUQQZRCSU-FRRDWIJNSA-N 0 3 352.435 -0.798 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](C)C1 ZINC001102622698 842681094 /nfs/dbraw/zinc/68/10/94/842681094.db2.gz FYSZOSUQQZRCSU-JHJVBQTASA-N 0 3 352.435 -0.798 20 0 FBADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CCCCCS(N)(=O)=O)[C@H](C)C1 ZINC001102623426 842681423 /nfs/dbraw/zinc/68/14/23/842681423.db2.gz DQMUIFJGYREKPG-FRRDWIJNSA-N 0 3 362.496 -0.607 20 0 FBADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CCCCCS(N)(=O)=O)[C@H](C)C1 ZINC001102623427 842681780 /nfs/dbraw/zinc/68/17/80/842681780.db2.gz DQMUIFJGYREKPG-JHJVBQTASA-N 0 3 362.496 -0.607 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CCOCC2)C1 ZINC001102634163 842683047 /nfs/dbraw/zinc/68/30/47/842683047.db2.gz ASMXOKQZVOSTIV-TZMCWYRMSA-N 0 3 354.451 -0.057 20 0 FBADHN CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001102639606 842682934 /nfs/dbraw/zinc/68/29/34/842682934.db2.gz DLBXJUBVTXKXKT-UKRRQHHQSA-N 0 3 356.467 -0.651 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001102640102 842683320 /nfs/dbraw/zinc/68/33/20/842683320.db2.gz CNIYJFWKTAVPCK-DGCLKSJQSA-N 0 3 355.439 -0.958 20 0 FBADHN CC(=O)NCC(=O)NCC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102640169 842682703 /nfs/dbraw/zinc/68/27/03/842682703.db2.gz GDTRERMHVZYHGY-BPLDGKMQSA-N 0 3 359.492 -0.369 20 0 FBADHN CC(=O)NCC(=O)NCC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102640170 842683283 /nfs/dbraw/zinc/68/32/83/842683283.db2.gz GDTRERMHVZYHGY-VHDGCEQUSA-N 0 3 359.492 -0.369 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001102640262 842683085 /nfs/dbraw/zinc/68/30/85/842683085.db2.gz KWBKSDANQKMABK-TZMCWYRMSA-N 0 3 362.496 -0.864 20 0 FBADHN CC(=O)NCC(=O)NCC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102640320 842682914 /nfs/dbraw/zinc/68/29/14/842682914.db2.gz OEJXDLIYSVHKTK-UKRRQHHQSA-N 0 3 354.451 -0.945 20 0 FBADHN COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001102640404 842682495 /nfs/dbraw/zinc/68/24/95/842682495.db2.gz SBOCVIATJMXDEY-UKRRQHHQSA-N 0 3 356.467 -0.651 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001102640585 842683415 /nfs/dbraw/zinc/68/34/15/842683415.db2.gz AYQSMURSPYYLSA-NQBHXWOUSA-N 0 3 355.439 -0.959 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001102640586 842683234 /nfs/dbraw/zinc/68/32/34/842683234.db2.gz AYQSMURSPYYLSA-NTZNESFSSA-N 0 3 355.439 -0.959 20 0 FBADHN CC(=O)NCC(=O)NCC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102641083 842683298 /nfs/dbraw/zinc/68/32/98/842683298.db2.gz YRGMIRKBBAOEEI-GZBFAFLISA-N 0 3 361.508 -0.123 20 0 FBADHN CC(=O)NCC(=O)NCC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102641084 842682776 /nfs/dbraw/zinc/68/27/76/842682776.db2.gz YRGMIRKBBAOEEI-UMVBOHGHSA-N 0 3 361.508 -0.123 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnccn1 ZINC001102644522 842683140 /nfs/dbraw/zinc/68/31/40/842683140.db2.gz WHGYHGMFFTVSIX-CHWSQXEVSA-N 0 3 355.464 -0.286 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2=COCCO2)C1 ZINC001102648522 842682524 /nfs/dbraw/zinc/68/25/24/842682524.db2.gz LBHCWQDUUKBTNI-VXGBXAGGSA-N 0 3 354.407 -0.596 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=COCCO2)C1 ZINC001102649042 842683212 /nfs/dbraw/zinc/68/32/12/842683212.db2.gz KJFOTRJOGHVEKS-GRYCIOLGSA-N 0 3 354.407 -0.468 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=COCCO2)C1 ZINC001102649043 842682645 /nfs/dbraw/zinc/68/26/45/842682645.db2.gz KJFOTRJOGHVEKS-IJLUTSLNSA-N 0 3 354.407 -0.468 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)C1=COCCO1 ZINC001102649161 842683360 /nfs/dbraw/zinc/68/33/60/842683360.db2.gz QOXGWGHJQCIRCV-CHWSQXEVSA-N 0 3 361.464 -0.502 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1ccc(=O)[nH]n1 ZINC001102649565 842684628 /nfs/dbraw/zinc/68/46/28/842684628.db2.gz IMRFVVXZVKCQIL-NXEZZACHSA-N 0 3 350.379 -0.935 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102649582 842684008 /nfs/dbraw/zinc/68/40/08/842684008.db2.gz JFORDVZCLJQLQE-MBNYWOFBSA-N 0 3 362.496 -0.866 20 0 FBADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102649583 842684490 /nfs/dbraw/zinc/68/44/90/842684490.db2.gz JFORDVZCLJQLQE-YRGRVCCFSA-N 0 3 362.496 -0.866 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cc[n+]([O-])cc1 ZINC001102649705 842684770 /nfs/dbraw/zinc/68/47/70/842684770.db2.gz OSXYTDHYZVWUJG-UKRRQHHQSA-N 0 3 370.475 -0.443 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001102650357 842684208 /nfs/dbraw/zinc/68/42/08/842684208.db2.gz PKGQULLMNDJISS-NQBHXWOUSA-N 0 3 355.439 -0.959 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(C)=O)C1 ZINC001102650358 842684044 /nfs/dbraw/zinc/68/40/44/842684044.db2.gz PKGQULLMNDJISS-NTZNESFSSA-N 0 3 355.439 -0.959 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1ccc(=O)[nH]n1 ZINC001102651140 842684340 /nfs/dbraw/zinc/68/43/40/842684340.db2.gz RPHCKQGXELLGHT-VXGBXAGGSA-N 0 3 371.463 -0.581 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654411 842684821 /nfs/dbraw/zinc/68/48/21/842684821.db2.gz JLLFVNLGPHINBP-ZIAGYGMSSA-N 0 3 353.467 -0.259 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654448 842684389 /nfs/dbraw/zinc/68/43/89/842684389.db2.gz LBMNDNYTGZJZKB-TZMCWYRMSA-N 0 3 353.467 -0.355 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654676 842684155 /nfs/dbraw/zinc/68/41/55/842684155.db2.gz VQXABCQSYMOIII-TZMCWYRMSA-N 0 3 353.467 -0.403 20 0 FBADHN COc1nccc(CN2C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C2)n1 ZINC001102654786 842684446 /nfs/dbraw/zinc/68/44/46/842684446.db2.gz AKHGQJBLLIWOEE-VXGBXAGGSA-N 0 3 350.423 -0.272 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654803 842683966 /nfs/dbraw/zinc/68/39/66/842683966.db2.gz BFSKLKTZGKKSDZ-FRRDWIJNSA-N 0 3 360.480 -0.836 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654804 842684371 /nfs/dbraw/zinc/68/43/71/842684371.db2.gz BFSKLKTZGKKSDZ-JHJVBQTASA-N 0 3 360.480 -0.836 20 0 FBADHN COc1ccc(CN2C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C2)nn1 ZINC001102654817 842684674 /nfs/dbraw/zinc/68/46/74/842684674.db2.gz BXKPDCYVNSBULS-VXGBXAGGSA-N 0 3 350.423 -0.272 20 0 FBADHN CC(C)[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655040 842683913 /nfs/dbraw/zinc/68/39/13/842683913.db2.gz NRHVCPNZCJXWSG-HZSPNIEDSA-N 0 3 355.483 -0.110 20 0 FBADHN CC(C)[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655041 842684458 /nfs/dbraw/zinc/68/44/58/842684458.db2.gz NRHVCPNZCJXWSG-MGPQQGTHSA-N 0 3 355.483 -0.110 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102655078 842684130 /nfs/dbraw/zinc/68/41/30/842684130.db2.gz PICDMJFLQYZXSL-CHWSQXEVSA-N 0 3 355.483 -0.109 20 0 FBADHN CCn1nnc(C)c1CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655238 842684264 /nfs/dbraw/zinc/68/42/64/842684264.db2.gz XAFXQKOJTCBAGG-DGCLKSJQSA-N 0 3 351.455 -0.151 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102655301 842683990 /nfs/dbraw/zinc/68/39/90/842683990.db2.gz ZXQMHPJWACLNEL-CHWSQXEVSA-N 0 3 353.467 -0.212 20 0 FBADHN C[C@H](CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1)CS(C)(=O)=O ZINC001102655391 842684507 /nfs/dbraw/zinc/68/45/07/842684507.db2.gz FGRRYUOVXBJOJT-JHJVBQTASA-N 0 3 362.496 -0.590 20 0 FBADHN C[C@@H](CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1)CS(C)(=O)=O ZINC001102655392 842684651 /nfs/dbraw/zinc/68/46/51/842684651.db2.gz FGRRYUOVXBJOJT-YNEHKIRRSA-N 0 3 362.496 -0.590 20 0 FBADHN C[C@H](NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1)C1CC1 ZINC001102655539 842686038 /nfs/dbraw/zinc/68/60/38/842686038.db2.gz KQDWEJHRXQOSMM-MBNYWOFBSA-N 0 3 353.467 -0.356 20 0 FBADHN C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1)C1CC1 ZINC001102655540 842685507 /nfs/dbraw/zinc/68/55/07/842685507.db2.gz KQDWEJHRXQOSMM-YRGRVCCFSA-N 0 3 353.467 -0.356 20 0 FBADHN CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655672 842686168 /nfs/dbraw/zinc/68/61/68/842686168.db2.gz RPHKVPOQXVPUHE-HZSPNIEDSA-N 0 3 355.483 -0.110 20 0 FBADHN CC(C)CNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655673 842685323 /nfs/dbraw/zinc/68/53/23/842685323.db2.gz RPHKVPOQXVPUHE-MGPQQGTHSA-N 0 3 355.483 -0.110 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102656334 842686107 /nfs/dbraw/zinc/68/61/07/842686107.db2.gz VEYHJUJKLGZZBN-CHWSQXEVSA-N 0 3 351.455 -0.338 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102656495 842685340 /nfs/dbraw/zinc/68/53/40/842685340.db2.gz CMMRSSUSSAJRMM-HZSPNIEDSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102656496 842685879 /nfs/dbraw/zinc/68/58/79/842685879.db2.gz CMMRSSUSSAJRMM-MGPQQGTHSA-N 0 3 370.479 -0.818 20 0 FBADHN CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102656770 842686243 /nfs/dbraw/zinc/68/62/43/842686243.db2.gz OGIGJXUBHJUDBM-HZSPNIEDSA-N 0 3 351.455 -0.338 20 0 FBADHN CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102656771 842686074 /nfs/dbraw/zinc/68/60/74/842686074.db2.gz OGIGJXUBHJUDBM-MGPQQGTHSA-N 0 3 351.455 -0.338 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102656924 842685906 /nfs/dbraw/zinc/68/59/06/842685906.db2.gz SVNYQLFWOPJPBR-ZIAGYGMSSA-N 0 3 351.455 -0.336 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102657285 842685925 /nfs/dbraw/zinc/68/59/25/842685925.db2.gz JRNNKGSOINYRSY-ZIAGYGMSSA-N 0 3 351.455 -0.481 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102657329 842686359 /nfs/dbraw/zinc/68/63/59/842686359.db2.gz LBFYDLOKNZYGEF-CHWSQXEVSA-N 0 3 358.468 -0.818 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)CN1CCCC1=O ZINC001102657374 842685630 /nfs/dbraw/zinc/68/56/30/842685630.db2.gz NMBDBTTVYKWWQA-ZIAGYGMSSA-N 0 3 350.463 -0.038 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)c2)C1 ZINC001102657871 842685662 /nfs/dbraw/zinc/68/56/62/842685662.db2.gz NKXWDMHRDSCJKZ-VXGBXAGGSA-N 0 3 350.423 -0.437 20 0 FBADHN Cc1nnsc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102658312 842686090 /nfs/dbraw/zinc/68/60/90/842686090.db2.gz JLAQBOLOCMNNBW-PSASIEDQSA-N 0 3 354.436 -0.271 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2snnc2C)C1 ZINC001102658356 842686229 /nfs/dbraw/zinc/68/62/29/842686229.db2.gz LVCOKZAXQKSQMG-MWLCHTKSSA-N 0 3 368.463 -0.010 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnn(C)c1 ZINC001102658507 842685729 /nfs/dbraw/zinc/68/57/29/842685729.db2.gz UMLZKFXGTUYIJE-CHWSQXEVSA-N 0 3 357.480 -0.343 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)c2)C1 ZINC001102658628 842685306 /nfs/dbraw/zinc/68/53/06/842685306.db2.gz ZQAYQHSSJRBEJQ-GRYCIOLGSA-N 0 3 350.423 -0.309 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)c2)C1 ZINC001102658629 842686385 /nfs/dbraw/zinc/68/63/85/842686385.db2.gz ZQAYQHSSJRBEJQ-IJLUTSLNSA-N 0 3 350.423 -0.309 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2cccn2)C1 ZINC001102662803 842686151 /nfs/dbraw/zinc/68/61/51/842686151.db2.gz QUKGLXPCPVWLOC-CHWSQXEVSA-N 0 3 350.423 -0.587 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1cccn1 ZINC001102663146 842685946 /nfs/dbraw/zinc/68/59/46/842685946.db2.gz JAHDAKDFOOKTFQ-ZIAGYGMSSA-N 0 3 357.480 -0.494 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)Cn2cccn2)C1 ZINC001102663458 842685854 /nfs/dbraw/zinc/68/58/54/842685854.db2.gz YEZCDOXBDMYJCC-HUUCEWRRSA-N 0 3 371.507 -0.103 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2cccn2)C1 ZINC001102663461 842686021 /nfs/dbraw/zinc/68/60/21/842686021.db2.gz YKFQOZZWBYUABZ-FRRDWIJNSA-N 0 3 350.423 -0.459 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2cccn2)C1 ZINC001102663462 842686056 /nfs/dbraw/zinc/68/60/56/842686056.db2.gz YKFQOZZWBYUABZ-JHJVBQTASA-N 0 3 350.423 -0.459 20 0 FBADHN Cc1c(C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)cnn1C ZINC001102664798 842685697 /nfs/dbraw/zinc/68/56/97/842685697.db2.gz IQAOTVLHEYADBC-TZMCWYRMSA-N 0 3 371.507 -0.034 20 0 FBADHN Cc1c(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)cnn1C ZINC001102666245 842686190 /nfs/dbraw/zinc/68/61/90/842686190.db2.gz OXAXGZXORFZJBJ-ZYHUDNBSSA-N 0 3 350.423 -0.389 20 0 FBADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102677950 842687320 /nfs/dbraw/zinc/68/73/20/842687320.db2.gz KTRHPCLZGHTNMV-NQBHXWOUSA-N 0 3 355.439 -0.878 20 0 FBADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102677951 842686962 /nfs/dbraw/zinc/68/69/62/842686962.db2.gz KTRHPCLZGHTNMV-NTZNESFSSA-N 0 3 355.439 -0.878 20 0 FBADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102678050 842687195 /nfs/dbraw/zinc/68/71/95/842687195.db2.gz LVUAIQAAMHJDNM-TZMCWYRMSA-N 0 3 362.496 -0.912 20 0 FBADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C ZINC001102678675 842687993 /nfs/dbraw/zinc/68/79/93/842687993.db2.gz XKEGIIKVWMMTES-UKRRQHHQSA-N 0 3 361.508 -0.026 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1COCCO1 ZINC001102684590 842687859 /nfs/dbraw/zinc/68/78/59/842687859.db2.gz BBYMNKYEKXDVIK-KFWWJZLASA-N 0 3 362.492 -0.089 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1COCCO1 ZINC001102684591 842687902 /nfs/dbraw/zinc/68/79/02/842687902.db2.gz BBYMNKYEKXDVIK-RBSFLKMASA-N 0 3 362.492 -0.089 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1COCCO1 ZINC001102684613 842686786 /nfs/dbraw/zinc/68/67/86/842686786.db2.gz CCTGIKQWDQIFAM-MCIONIFRSA-N 0 3 363.480 -0.975 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1COCCO1 ZINC001102684614 842687953 /nfs/dbraw/zinc/68/79/53/842687953.db2.gz CCTGIKQWDQIFAM-MGPQQGTHSA-N 0 3 363.480 -0.975 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCn1cccn1 ZINC001102686907 842686932 /nfs/dbraw/zinc/68/69/32/842686932.db2.gz BILDBYVSOXBIKN-CHWSQXEVSA-N 0 3 350.423 -0.458 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCn1cccn1 ZINC001102687311 842687676 /nfs/dbraw/zinc/68/76/76/842687676.db2.gz VPOGDVAQULZGDP-HUUCEWRRSA-N 0 3 371.507 -0.103 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001102690107 842687821 /nfs/dbraw/zinc/68/78/21/842687821.db2.gz AVNZAFCLZYYCDQ-VXGBXAGGSA-N 0 3 350.423 -0.057 20 0 FBADHN CCc1cc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001102691182 842686762 /nfs/dbraw/zinc/68/67/62/842686762.db2.gz OOZUIILMFJGHBJ-GHMZBOCLSA-N 0 3 350.423 -0.145 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001102692985 842687734 /nfs/dbraw/zinc/68/77/34/842687734.db2.gz KWOWDEYPNMOCCJ-GRYCIOLGSA-N 0 3 350.423 -0.058 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001102692986 842687351 /nfs/dbraw/zinc/68/73/51/842687351.db2.gz KWOWDEYPNMOCCJ-IJLUTSLNSA-N 0 3 350.423 -0.058 20 0 FBADHN C[C@@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)n1cccn1 ZINC001102693262 842687837 /nfs/dbraw/zinc/68/78/37/842687837.db2.gz VFTMRLTWFSTCQJ-FRRDWIJNSA-N 0 3 350.423 -0.287 20 0 FBADHN C[C@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)n1cccn1 ZINC001102693263 842687423 /nfs/dbraw/zinc/68/74/23/842687423.db2.gz VFTMRLTWFSTCQJ-JHJVBQTASA-N 0 3 350.423 -0.287 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC2CC2)C1 ZINC001102703338 842687290 /nfs/dbraw/zinc/68/72/90/842687290.db2.gz XQYVWFTZEIQEDX-TZMCWYRMSA-N 0 3 354.451 -0.057 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn[nH]c2)C1 ZINC001102704165 842687396 /nfs/dbraw/zinc/68/73/96/842687396.db2.gz NJSHWAFOAZOSQM-VXGBXAGGSA-N 0 3 350.423 -0.057 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnsn2)C1 ZINC001102711796 842686887 /nfs/dbraw/zinc/68/68/87/842686887.db2.gz IIMNXRSNZPAEJX-NXEZZACHSA-N 0 3 354.436 -0.319 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)CNC(=O)C1CC1 ZINC001102711990 842687515 /nfs/dbraw/zinc/68/75/15/842687515.db2.gz SIAYTYYMUVWIAN-TZMCWYRMSA-N 0 3 350.463 -0.135 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2cn[nH]c2)C1 ZINC001102712050 842687637 /nfs/dbraw/zinc/68/76/37/842687637.db2.gz VPGFFQCRIXIMIZ-GRYCIOLGSA-N 0 3 350.423 -0.058 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2cn[nH]c2)C1 ZINC001102712051 842686905 /nfs/dbraw/zinc/68/69/05/842686905.db2.gz VPGFFQCRIXIMIZ-IJLUTSLNSA-N 0 3 350.423 -0.058 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnsn1 ZINC001102713488 842687440 /nfs/dbraw/zinc/68/74/40/842687440.db2.gz AVDRLSODZHGXOI-GHMZBOCLSA-N 0 3 361.493 -0.225 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnsn2)C1 ZINC001102713621 842688028 /nfs/dbraw/zinc/68/80/28/842688028.db2.gz JKJJYEWKDFFKQC-KXUCPTDWSA-N 0 3 354.436 -0.191 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnsn2)C1 ZINC001102713622 842687230 /nfs/dbraw/zinc/68/72/30/842687230.db2.gz JKJJYEWKDFFKQC-OPRDCNLKSA-N 0 3 354.436 -0.191 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnns2)C1 ZINC001102715023 842687553 /nfs/dbraw/zinc/68/75/53/842687553.db2.gz IOJBDLGAXJIVSC-NXEZZACHSA-N 0 3 354.436 -0.319 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnns1 ZINC001102716447 842687795 /nfs/dbraw/zinc/68/77/95/842687795.db2.gz DNLUQZOVDRECCL-GHMZBOCLSA-N 0 3 361.493 -0.225 20 0 FBADHN COC(=O)NCC(=O)NCC[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001102716766 842687622 /nfs/dbraw/zinc/68/76/22/842687622.db2.gz MYOCQJXEXYAELB-TZMCWYRMSA-N 0 3 354.451 -0.057 20 0 FBADHN COC(=O)NCC(=O)NCC[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C ZINC001102716809 842689222 /nfs/dbraw/zinc/68/92/22/842689222.db2.gz PBQUJUYMABLZJB-CHWSQXEVSA-N 0 3 363.480 -0.149 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnns2)C1 ZINC001102716970 842689105 /nfs/dbraw/zinc/68/91/05/842689105.db2.gz WSLOAJUTGHAKLE-KXUCPTDWSA-N 0 3 354.436 -0.191 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnns2)C1 ZINC001102716971 842689306 /nfs/dbraw/zinc/68/93/06/842689306.db2.gz WSLOAJUTGHAKLE-OPRDCNLKSA-N 0 3 354.436 -0.191 20 0 FBADHN COC(=O)NCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102717859 842689202 /nfs/dbraw/zinc/68/92/02/842689202.db2.gz WMJNSJJFCXQWEO-GMTAPVOTSA-N 0 3 357.411 -1.000 20 0 FBADHN COC(=O)NCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102717862 842689080 /nfs/dbraw/zinc/68/90/80/842689080.db2.gz WMJNSJJFCXQWEO-OUAUKWLOSA-N 0 3 357.411 -1.000 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)n[nH]2)C1 ZINC001102722702 842688613 /nfs/dbraw/zinc/68/86/13/842688613.db2.gz WEJIKIRVEOIAPQ-ZYHUDNBSSA-N 0 3 350.423 -0.138 20 0 FBADHN Cc1cc(C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)[nH]n1 ZINC001102723807 842688946 /nfs/dbraw/zinc/68/89/46/842688946.db2.gz JBBFNNLIUZAONW-DGCLKSJQSA-N 0 3 357.480 -0.045 20 0 FBADHN Cc1cc(C(=O)NCC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001102724144 842688519 /nfs/dbraw/zinc/68/85/19/842688519.db2.gz VHJDAELMCSXKQL-ADEWGFFLSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1cc(C(=O)NCC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001102724145 842689010 /nfs/dbraw/zinc/68/90/10/842689010.db2.gz VHJDAELMCSXKQL-YUSALJHKSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1cc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)nn1C ZINC001102730091 842688596 /nfs/dbraw/zinc/68/85/96/842688596.db2.gz FDRZGFVAOSKYGQ-ZYHUDNBSSA-N 0 3 350.423 -0.389 20 0 FBADHN Cc1cc(C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)nn1C ZINC001102730448 842688688 /nfs/dbraw/zinc/68/86/88/842688688.db2.gz SDWFKJVYHRYAMH-TZMCWYRMSA-N 0 3 371.507 -0.034 20 0 FBADHN Cc1cc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)n(C)n1 ZINC001102730500 842688565 /nfs/dbraw/zinc/68/85/65/842688565.db2.gz UWBDSCITDKGBAJ-ZYHUDNBSSA-N 0 3 350.423 -0.389 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001102732149 842688741 /nfs/dbraw/zinc/68/87/41/842688741.db2.gz FRXJYKCHUAGMFN-ZIAGYGMSSA-N 0 3 350.481 -0.232 20 0 FBADHN Cc1cc(C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)n(C)n1 ZINC001102732412 842688915 /nfs/dbraw/zinc/68/89/15/842688915.db2.gz PULQGHMGRZEUBF-TZMCWYRMSA-N 0 3 371.507 -0.034 20 0 FBADHN CCCC(=O)NCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102734092 842689529 /nfs/dbraw/zinc/68/95/29/842689529.db2.gz LJLXJIRPYPVHEX-VXGBXAGGSA-N 0 3 355.439 -0.828 20 0 FBADHN Cc1cnn(CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)c1 ZINC001102735782 842688491 /nfs/dbraw/zinc/68/84/91/842688491.db2.gz SJMHPEFUPJBJSV-CHWSQXEVSA-N 0 3 350.423 -0.539 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1CCNC(=O)CS(C)(=O)=O ZINC001102737228 842689389 /nfs/dbraw/zinc/68/93/89/842689389.db2.gz BYZPSBVLOMMIPJ-MCIONIFRSA-N 0 3 369.491 -0.116 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1CCNC(=O)CS(C)(=O)=O ZINC001102737229 842689453 /nfs/dbraw/zinc/68/94/53/842689453.db2.gz BYZPSBVLOMMIPJ-MGPQQGTHSA-N 0 3 369.491 -0.116 20 0 FBADHN Cc1cnn(CC(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)c1 ZINC001102737248 842689429 /nfs/dbraw/zinc/68/94/29/842689429.db2.gz DJLRHMHTEZPVCR-HUUCEWRRSA-N 0 3 371.507 -0.185 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCOC2)C1 ZINC001102747322 842690945 /nfs/dbraw/zinc/69/09/45/842690945.db2.gz FNCMOTWQBXGAHL-MCIONIFRSA-N 0 3 354.451 -0.057 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCOC2)C1 ZINC001102747323 842690821 /nfs/dbraw/zinc/69/08/21/842690821.db2.gz FNCMOTWQBXGAHL-MGPQQGTHSA-N 0 3 354.451 -0.057 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1CCOC1 ZINC001102747972 842690568 /nfs/dbraw/zinc/69/05/68/842690568.db2.gz OUOYZMWCHQFPHS-BZUAXINKSA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCOC1 ZINC001102747973 842690692 /nfs/dbraw/zinc/69/06/92/842690692.db2.gz OUOYZMWCHQFPHS-OAGGEKHMSA-N 0 3 353.463 -0.044 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1ccnn1C ZINC001102755116 842690707 /nfs/dbraw/zinc/69/07/07/842690707.db2.gz IFUJAHQRTAHJHU-CHWSQXEVSA-N 0 3 357.480 -0.343 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccnn2C)C1 ZINC001102755396 842690329 /nfs/dbraw/zinc/69/03/29/842690329.db2.gz VEYNNLTYNVZJTN-VXGBXAGGSA-N 0 3 350.423 -0.437 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccnn2C)C1 ZINC001102756855 842690408 /nfs/dbraw/zinc/69/04/08/842690408.db2.gz LXWFATCUPXAILQ-GRYCIOLGSA-N 0 3 350.423 -0.309 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccnn2C)C1 ZINC001102756856 842691119 /nfs/dbraw/zinc/69/11/19/842691119.db2.gz LXWFATCUPXAILQ-IJLUTSLNSA-N 0 3 350.423 -0.309 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)Cc1cnn(C)c1 ZINC001102762141 842691133 /nfs/dbraw/zinc/69/11/33/842691133.db2.gz OYWPMZWNJLVCOO-DGCLKSJQSA-N 0 3 350.423 -0.768 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1cnn(C)c1 ZINC001102762592 842690367 /nfs/dbraw/zinc/69/03/67/842690367.db2.gz HDFHVKJICKZTPW-UKRRQHHQSA-N 0 3 371.507 -0.414 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCOC2)C1 ZINC001102766392 842690480 /nfs/dbraw/zinc/69/04/80/842690480.db2.gz ZJTIFAJXFJHPTN-MCIONIFRSA-N 0 3 354.451 -0.057 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCOC2)C1 ZINC001102766393 842691104 /nfs/dbraw/zinc/69/11/04/842691104.db2.gz ZJTIFAJXFJHPTN-MGPQQGTHSA-N 0 3 354.451 -0.057 20 0 FBADHN CCNC(=O)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102772469 842691188 /nfs/dbraw/zinc/69/11/88/842691188.db2.gz SWBRRCWJRMKUGW-VXGBXAGGSA-N 0 3 355.439 -0.828 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC001102776005 842691012 /nfs/dbraw/zinc/69/10/12/842691012.db2.gz NIPWGQPSUUDZTA-BPLDGKMQSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC001102777457 842690649 /nfs/dbraw/zinc/69/06/49/842690649.db2.gz LYRBOGJQBASTQF-MGPQQGTHSA-N 0 3 359.492 -0.226 20 0 FBADHN Cc1ncc(C(=O)NCC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]1 ZINC001102777612 842691207 /nfs/dbraw/zinc/69/12/07/842691207.db2.gz UIQJILSZVGUEET-CKYFFXLPSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1ncc(C(=O)NCC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)[nH]1 ZINC001102777613 842690203 /nfs/dbraw/zinc/69/02/03/842690203.db2.gz UIQJILSZVGUEET-JFGNBEQYSA-N 0 3 350.423 -0.011 20 0 FBADHN CCC(=O)NCC(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001102780593 842690504 /nfs/dbraw/zinc/69/05/04/842690504.db2.gz GWQRUNFELBBSPP-VXGBXAGGSA-N 0 3 355.439 -0.958 20 0 FBADHN CCC(=O)NCC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102783626 842690804 /nfs/dbraw/zinc/69/08/04/842690804.db2.gz DIOCPISKVVJWSF-CHWSQXEVSA-N 0 3 362.496 -0.864 20 0 FBADHN CCC(=O)NCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102783658 842690015 /nfs/dbraw/zinc/69/00/15/842690015.db2.gz DRCHBFISTVGLKW-GRYCIOLGSA-N 0 3 355.439 -0.830 20 0 FBADHN CCC(=O)NCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102783659 842690587 /nfs/dbraw/zinc/69/05/87/842690587.db2.gz DRCHBFISTVGLKW-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCCOC)C1 ZINC001102787678 842691090 /nfs/dbraw/zinc/69/10/90/842691090.db2.gz AWEYDFXXOPZYOF-CHWSQXEVSA-N 0 3 358.439 -0.821 20 0 FBADHN Cc1ncc(C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)[nH]1 ZINC001102789490 842692972 /nfs/dbraw/zinc/69/29/72/842692972.db2.gz DRYDVYJZOQZFMK-DGCLKSJQSA-N 0 3 357.480 -0.045 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnc(C)[nH]2)C1 ZINC001102789725 842692636 /nfs/dbraw/zinc/69/26/36/842692636.db2.gz NUCNDGGJEZZMTO-ZYHUDNBSSA-N 0 3 350.423 -0.138 20 0 FBADHN COCCOCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102791988 842692428 /nfs/dbraw/zinc/69/24/28/842692428.db2.gz RCEWOURTXJQRHG-FRRDWIJNSA-N 0 3 358.439 -0.693 20 0 FBADHN COCCOCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102791989 842691928 /nfs/dbraw/zinc/69/19/28/842691928.db2.gz RCEWOURTXJQRHG-JHJVBQTASA-N 0 3 358.439 -0.693 20 0 FBADHN COCCOCC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102792113 842692368 /nfs/dbraw/zinc/69/23/68/842692368.db2.gz VNAAYKVVHHYBDQ-ZIAGYGMSSA-N 0 3 365.496 -0.727 20 0 FBADHN Cc1nn(C)cc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102794902 842692482 /nfs/dbraw/zinc/69/24/82/842692482.db2.gz NGXIRFSVQOBPQC-ZYHUDNBSSA-N 0 3 350.423 -0.389 20 0 FBADHN Cc1nn(C)cc1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102794951 842691854 /nfs/dbraw/zinc/69/18/54/842691854.db2.gz PVZJYAUZXXSUCU-TZMCWYRMSA-N 0 3 371.507 -0.034 20 0 FBADHN Cc1cc(CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)no1 ZINC001102795873 842691875 /nfs/dbraw/zinc/69/18/75/842691875.db2.gz QGLZTTDHGRDVMZ-ZYHUDNBSSA-N 0 3 351.407 -0.205 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1nccnc1N ZINC001102796715 842692017 /nfs/dbraw/zinc/69/20/17/842692017.db2.gz AXUCJIDGQVDVBM-VXGBXAGGSA-N 0 3 370.479 -0.704 20 0 FBADHN CCn1cc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)cn1 ZINC001102797014 842692556 /nfs/dbraw/zinc/69/25/56/842692556.db2.gz HQDJCKFAJDYYCT-VXGBXAGGSA-N 0 3 350.423 -0.214 20 0 FBADHN C[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102801809 842692679 /nfs/dbraw/zinc/69/26/79/842692679.db2.gz GWHJPQXWHYENMY-CHWSQXEVSA-N 0 3 359.492 -0.239 20 0 FBADHN C[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102801920 842692252 /nfs/dbraw/zinc/69/22/52/842692252.db2.gz LDXCXIAURCISOW-MCIONIFRSA-N 0 3 354.451 -0.769 20 0 FBADHN C[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102801921 842692589 /nfs/dbraw/zinc/69/25/89/842692589.db2.gz LDXCXIAURCISOW-MGPQQGTHSA-N 0 3 354.451 -0.769 20 0 FBADHN CCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 ZINC001102802138 842691755 /nfs/dbraw/zinc/69/17/55/842691755.db2.gz USMRIBGMUHHLTM-VXGBXAGGSA-N 0 3 355.439 -0.828 20 0 FBADHN C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802164 842692571 /nfs/dbraw/zinc/69/25/71/842692571.db2.gz WKEOIHZPWOVXQP-HZSPNIEDSA-N 0 3 359.492 -0.239 20 0 FBADHN C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802165 842692849 /nfs/dbraw/zinc/69/28/49/842692849.db2.gz WKEOIHZPWOVXQP-MGPQQGTHSA-N 0 3 359.492 -0.239 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2ccon2)C1 ZINC001102803895 842692787 /nfs/dbraw/zinc/69/27/87/842692787.db2.gz KWRJRHWCULCRSF-VXGBXAGGSA-N 0 3 351.407 -0.253 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102803970 842692323 /nfs/dbraw/zinc/69/23/23/842692323.db2.gz OKJGHPGHAVTMQW-HZSPNIEDSA-N 0 3 354.451 -0.817 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102803971 842692806 /nfs/dbraw/zinc/69/28/06/842692806.db2.gz OKJGHPGHAVTMQW-MGPQQGTHSA-N 0 3 354.451 -0.817 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1ccon1 ZINC001102804935 842692403 /nfs/dbraw/zinc/69/24/03/842692403.db2.gz XICHDYFEJDKZBR-CHWSQXEVSA-N 0 3 358.464 -0.160 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2ccon2)C1 ZINC001102805699 842692997 /nfs/dbraw/zinc/69/29/97/842692997.db2.gz BLWRKBZKLAZBTH-GRYCIOLGSA-N 0 3 351.407 -0.125 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2ccon2)C1 ZINC001102805700 842691994 /nfs/dbraw/zinc/69/19/94/842691994.db2.gz BLWRKBZKLAZBTH-IJLUTSLNSA-N 0 3 351.407 -0.125 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 ZINC001102806108 842691834 /nfs/dbraw/zinc/69/18/34/842691834.db2.gz MOQRRTDYCFOLRL-GRYCIOLGSA-N 0 3 355.439 -0.830 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 ZINC001102806109 842692938 /nfs/dbraw/zinc/69/29/38/842692938.db2.gz MOQRRTDYCFOLRL-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102806389 842692225 /nfs/dbraw/zinc/69/22/25/842692225.db2.gz QXAVPZOADXLKLI-CHWSQXEVSA-N 0 3 354.451 -0.769 20 0 FBADHN Cc1[nH]nc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)c1C ZINC001102806676 842692146 /nfs/dbraw/zinc/69/21/46/842692146.db2.gz ZMWLATQIBLBRFA-BXKDBHETSA-N 0 3 350.423 -0.091 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCOC2)C1 ZINC001102809462 842692914 /nfs/dbraw/zinc/69/29/14/842692914.db2.gz CCCUBSJSEKTEBU-HZSPNIEDSA-N 0 3 354.451 -0.057 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCOC2)C1 ZINC001102809464 842691953 /nfs/dbraw/zinc/69/19/53/842691953.db2.gz CCCUBSJSEKTEBU-MGPQQGTHSA-N 0 3 354.451 -0.057 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2cc[nH]n2)C1 ZINC001102811282 842692532 /nfs/dbraw/zinc/69/25/32/842692532.db2.gz AEZHLVHRPYBZLD-VXGBXAGGSA-N 0 3 350.423 -0.518 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2cc[nH]n2)C1 ZINC001102812297 842692078 /nfs/dbraw/zinc/69/20/78/842692078.db2.gz CWDMGOBVYCSVLT-GRYCIOLGSA-N 0 3 350.423 -0.390 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2cc[nH]n2)C1 ZINC001102812298 842692194 /nfs/dbraw/zinc/69/21/94/842692194.db2.gz CWDMGOBVYCSVLT-IJLUTSLNSA-N 0 3 350.423 -0.390 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)Cc2cc[nH]n2)C1 ZINC001102813063 842692457 /nfs/dbraw/zinc/69/24/57/842692457.db2.gz QYQHNPIOBNDPMN-ZIAGYGMSSA-N 0 3 371.507 -0.034 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1cc[nH]n1 ZINC001102813395 842694985 /nfs/dbraw/zinc/69/49/85/842694985.db2.gz XWJHRNVUAVXDQN-CHWSQXEVSA-N 0 3 357.480 -0.424 20 0 FBADHN Cc1c(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)nnn1C ZINC001102814797 842693573 /nfs/dbraw/zinc/69/35/73/842693573.db2.gz AGMZODVZNUUJOW-MWLCHTKSSA-N 0 3 351.411 -0.994 20 0 FBADHN C[C@@H]1CN(CC(=O)NC[C@@H]2CCOC2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102814926 842694354 /nfs/dbraw/zinc/69/43/54/842694354.db2.gz HFGYVZKGOKSPAT-HZSPNIEDSA-N 0 3 354.451 -0.911 20 0 FBADHN C[C@@H]1CN(CC(=O)NC[C@H]2CCOC2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102814927 842694230 /nfs/dbraw/zinc/69/42/30/842694230.db2.gz HFGYVZKGOKSPAT-MGPQQGTHSA-N 0 3 354.451 -0.911 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001102818694 842695443 /nfs/dbraw/zinc/69/54/43/842695443.db2.gz CLTQKXUGRRGGAT-FMKPAKJESA-N 0 3 352.479 -0.330 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CN(C)CCO1 ZINC001102818695 842695333 /nfs/dbraw/zinc/69/53/33/842695333.db2.gz CLTQKXUGRRGGAT-IIAWOOMASA-N 0 3 352.479 -0.330 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001102818782 842693880 /nfs/dbraw/zinc/69/38/80/842693880.db2.gz HIEGUGAJXVLLLM-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001102818783 842694832 /nfs/dbraw/zinc/69/48/32/842694832.db2.gz HIEGUGAJXVLLLM-OAGGEKHMSA-N 0 3 354.495 -0.083 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001102818881 842694949 /nfs/dbraw/zinc/69/49/49/842694949.db2.gz KTMAUMWHLPREFZ-BZUAXINKSA-N 0 3 354.495 -0.084 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001102818882 842693604 /nfs/dbraw/zinc/69/36/04/842693604.db2.gz KTMAUMWHLPREFZ-OAGGEKHMSA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001102819600 842695156 /nfs/dbraw/zinc/69/51/56/842695156.db2.gz WWQVRHXNOKVPIN-FMKPAKJESA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1CN(C)CCO1 ZINC001102819601 842694101 /nfs/dbraw/zinc/69/41/01/842694101.db2.gz WWQVRHXNOKVPIN-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN Cc1cc(CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001102848814 842695291 /nfs/dbraw/zinc/69/52/91/842695291.db2.gz GEPRSKDFHZQRGZ-ZYHUDNBSSA-N 0 3 350.423 -0.470 20 0 FBADHN Cc1cc(CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)n[nH]1 ZINC001102848814 842695289 /nfs/dbraw/zinc/69/52/89/842695289.db2.gz GEPRSKDFHZQRGZ-ZYHUDNBSSA-N 0 3 350.423 -0.470 20 0 FBADHN Cc1cc(CC(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)n[nH]1 ZINC001102849046 842694334 /nfs/dbraw/zinc/69/43/34/842694334.db2.gz NFNJICVRJFSRGC-TZMCWYRMSA-N 0 3 371.507 -0.116 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001102855073 842694371 /nfs/dbraw/zinc/69/43/71/842694371.db2.gz HQPHNFJBMBZWNV-HZSPNIEDSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001102855074 842695369 /nfs/dbraw/zinc/69/53/69/842695369.db2.gz HQPHNFJBMBZWNV-MGPQQGTHSA-N 0 3 350.463 -0.135 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)cn2)C1 ZINC001102861815 842696890 /nfs/dbraw/zinc/69/68/90/842696890.db2.gz CTVRXFYSLNCVCD-VXGBXAGGSA-N 0 3 350.423 -0.437 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)cn2)C1 ZINC001102862268 842697064 /nfs/dbraw/zinc/69/70/64/842697064.db2.gz KBSSYJRRLBFBFW-GRYCIOLGSA-N 0 3 350.423 -0.309 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)cn2)C1 ZINC001102862269 842697218 /nfs/dbraw/zinc/69/72/18/842697218.db2.gz KBSSYJRRLBFBFW-IJLUTSLNSA-N 0 3 350.423 -0.309 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cn(C)cn1 ZINC001102862549 842696342 /nfs/dbraw/zinc/69/63/42/842696342.db2.gz XGTIAPZYCRKALQ-CHWSQXEVSA-N 0 3 357.480 -0.343 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001102864077 842696969 /nfs/dbraw/zinc/69/69/69/842696969.db2.gz VBDADULLDKYTET-GRYCIOLGSA-N 0 3 354.407 -0.791 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@H]1COC(=O)C1 ZINC001102864078 842696744 /nfs/dbraw/zinc/69/67/44/842696744.db2.gz VBDADULLDKYTET-IJLUTSLNSA-N 0 3 354.407 -0.791 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001102876791 842697171 /nfs/dbraw/zinc/69/71/71/842697171.db2.gz DWKCQCIYJCELQU-PSTGCABASA-N 0 3 354.451 -0.193 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@](C)(O)C1CC1 ZINC001102876792 842696222 /nfs/dbraw/zinc/69/62/22/842696222.db2.gz DWKCQCIYJCELQU-QFSBIZTOSA-N 0 3 354.451 -0.193 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)CN1CCOCC1 ZINC001102879487 842697206 /nfs/dbraw/zinc/69/72/06/842697206.db2.gz ABMRRFSGBSDNPG-HUUCEWRRSA-N 0 3 352.479 -0.329 20 0 FBADHN C[C@@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)n1cncn1 ZINC001102879534 842696651 /nfs/dbraw/zinc/69/66/51/842696651.db2.gz CFWABRKEGZVSHA-GRYCIOLGSA-N 0 3 351.411 -0.892 20 0 FBADHN C[C@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)n1cncn1 ZINC001102879535 842696787 /nfs/dbraw/zinc/69/67/87/842696787.db2.gz CFWABRKEGZVSHA-IJLUTSLNSA-N 0 3 351.411 -0.892 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)CN1CCOCC1 ZINC001102880034 842696408 /nfs/dbraw/zinc/69/64/08/842696408.db2.gz XSJHPWSOTDSBKD-HUUCEWRRSA-N 0 3 350.467 -0.279 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN2CCOCC2)C1 ZINC001102880039 842696989 /nfs/dbraw/zinc/69/69/89/842696989.db2.gz YEGYCXGYSRKPPS-HZPDHXFCSA-N 0 3 354.495 -0.083 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN2CCOCC2)C1 ZINC001102880084 842696542 /nfs/dbraw/zinc/69/65/42/842696542.db2.gz ZZDWNMGOBOAZKT-HZPDHXFCSA-N 0 3 354.495 -0.081 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1COCCN1C ZINC001102881376 842696913 /nfs/dbraw/zinc/69/69/13/842696913.db2.gz CFRSBAVIIAUQHM-FMKPAKJESA-N 0 3 352.479 -0.330 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1COCCN1C ZINC001102881377 842696930 /nfs/dbraw/zinc/69/69/30/842696930.db2.gz CFRSBAVIIAUQHM-IIAWOOMASA-N 0 3 352.479 -0.330 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCCN2C)C1 ZINC001102881437 842696952 /nfs/dbraw/zinc/69/69/52/842696952.db2.gz GAZRCWYKEHWLAN-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCCN2C)C1 ZINC001102881438 842696250 /nfs/dbraw/zinc/69/62/50/842696250.db2.gz GAZRCWYKEHWLAN-OAGGEKHMSA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1COCCN1C ZINC001102881517 842696314 /nfs/dbraw/zinc/69/63/14/842696314.db2.gz IZKRODCSEPOVDI-FMKPAKJESA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1COCCN1C ZINC001102881518 842697042 /nfs/dbraw/zinc/69/70/42/842697042.db2.gz IZKRODCSEPOVDI-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCCN2C)C1 ZINC001102881680 842696622 /nfs/dbraw/zinc/69/66/22/842696622.db2.gz PSXZXJVJQGJSCQ-BZUAXINKSA-N 0 3 354.495 -0.084 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCCN2C)C1 ZINC001102881681 842697003 /nfs/dbraw/zinc/69/70/03/842697003.db2.gz PSXZXJVJQGJSCQ-OAGGEKHMSA-N 0 3 354.495 -0.084 20 0 FBADHN CCNC(=O)CC(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001102887779 842698606 /nfs/dbraw/zinc/69/86/06/842698606.db2.gz BCGSVRPQCKPOIV-VXGBXAGGSA-N 0 3 355.439 -0.958 20 0 FBADHN CCNC(=O)CC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102887916 842697907 /nfs/dbraw/zinc/69/79/07/842697907.db2.gz IPHKHMYWDKVRQS-CHWSQXEVSA-N 0 3 362.496 -0.864 20 0 FBADHN CCNC(=O)CC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102889466 842698240 /nfs/dbraw/zinc/69/82/40/842698240.db2.gz APCXLDMWGQGRCX-GRYCIOLGSA-N 0 3 355.439 -0.830 20 0 FBADHN CCNC(=O)CC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102889467 842697811 /nfs/dbraw/zinc/69/78/11/842697811.db2.gz APCXLDMWGQGRCX-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN CNC(=O)CCCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102889546 842697942 /nfs/dbraw/zinc/69/79/42/842697942.db2.gz DZFLNOCZNNSZPD-VXGBXAGGSA-N 0 3 355.439 -0.828 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)CN1CN=NC1=O ZINC001102889817 842698098 /nfs/dbraw/zinc/69/80/98/842698098.db2.gz TUNJZEXYBBKBAT-VXGBXAGGSA-N 0 3 350.423 -0.664 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN2CN=NC2=O)C1 ZINC001102889833 842698249 /nfs/dbraw/zinc/69/82/49/842698249.db2.gz UHSRSSSFZLCKED-CHWSQXEVSA-N 0 3 352.439 -0.418 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN2CN=NC2=O)C1 ZINC001102889947 842698171 /nfs/dbraw/zinc/69/81/71/842698171.db2.gz ZQXLQKNZMRCQTG-CHWSQXEVSA-N 0 3 352.439 -0.416 20 0 FBADHN COc1cc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)on1 ZINC001102891017 842698211 /nfs/dbraw/zinc/69/82/11/842698211.db2.gz DFVNPPQTTGINDB-NXEZZACHSA-N 0 3 353.379 -0.434 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2=CCOCC2)C1 ZINC001102895985 842700355 /nfs/dbraw/zinc/70/03/55/842700355.db2.gz UZJRGSCUVXPQKD-TZMCWYRMSA-N 0 3 352.435 -0.137 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cncnc1 ZINC001102896714 842699582 /nfs/dbraw/zinc/69/95/82/842699582.db2.gz YWVGGFJMTZNMPA-CHWSQXEVSA-N 0 3 355.464 -0.286 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102897716 842700155 /nfs/dbraw/zinc/70/01/55/842700155.db2.gz AGXIJTWOTUPPQD-HZSPNIEDSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102897717 842699828 /nfs/dbraw/zinc/69/98/28/842699828.db2.gz AGXIJTWOTUPPQD-MGPQQGTHSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102898230 842699521 /nfs/dbraw/zinc/69/95/21/842699521.db2.gz LTJKZKZLQJJEQQ-ZIAGYGMSSA-N 0 3 354.451 -0.945 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(=O)NC)C1 ZINC001102898305 842699708 /nfs/dbraw/zinc/69/97/08/842699708.db2.gz PFYGXHLITLAFAF-VXGBXAGGSA-N 0 3 355.439 -0.958 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1C ZINC001102898659 842699922 /nfs/dbraw/zinc/69/99/22/842699922.db2.gz VXBJZEWTSBCWDO-ZIAGYGMSSA-N 0 3 356.467 -0.651 20 0 FBADHN CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(=O)NC)C1 ZINC001102898803 842700221 /nfs/dbraw/zinc/70/02/21/842700221.db2.gz YSDFAAFDHMJLER-ZIAGYGMSSA-N 0 3 356.467 -0.651 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)C1=CCOCC1 ZINC001102900325 842700381 /nfs/dbraw/zinc/70/03/81/842700381.db2.gz MZYBECKPQVCTHF-UKRRQHHQSA-N 0 3 359.492 -0.044 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)CC(=O)NC)C1 ZINC001102900511 842699177 /nfs/dbraw/zinc/69/91/77/842699177.db2.gz XCNHQNGWYDWSOH-CHWSQXEVSA-N 0 3 362.496 -0.864 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=CCOCC2)C1 ZINC001102901977 842699319 /nfs/dbraw/zinc/69/93/19/842699319.db2.gz VKULNSFCTYTAGV-MBNYWOFBSA-N 0 3 352.435 -0.009 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)C2=CCOCC2)C1 ZINC001102901978 842699732 /nfs/dbraw/zinc/69/97/32/842699732.db2.gz VKULNSFCTYTAGV-YRGRVCCFSA-N 0 3 352.435 -0.009 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102903273 842700404 /nfs/dbraw/zinc/70/04/04/842700404.db2.gz AZCKZCOBTMRBTL-GRYCIOLGSA-N 0 3 355.439 -0.959 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102903274 842699250 /nfs/dbraw/zinc/69/92/50/842699250.db2.gz AZCKZCOBTMRBTL-IJLUTSLNSA-N 0 3 355.439 -0.959 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102903564 842700337 /nfs/dbraw/zinc/70/03/37/842700337.db2.gz NXFSMDKGLAYVJV-BFHYXJOUSA-N 0 3 361.508 -0.123 20 0 FBADHN CNC(=O)CC(=O)NCC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102903565 842700087 /nfs/dbraw/zinc/70/00/87/842700087.db2.gz NXFSMDKGLAYVJV-MGPQQGTHSA-N 0 3 361.508 -0.123 20 0 FBADHN C[C@H](NC(N)=O)C(=O)NCC[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001102905305 842700127 /nfs/dbraw/zinc/70/01/27/842700127.db2.gz WCKNGUCSCDOMSD-MBNYWOFBSA-N 0 3 353.467 -0.356 20 0 FBADHN CCn1nncc1CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001102905383 842699952 /nfs/dbraw/zinc/69/99/52/842699952.db2.gz ZFQWUIAKJIXVMC-FRRDWIJNSA-N 0 3 351.455 -0.071 20 0 FBADHN C[C@H](NC(N)=O)C(=O)NCC[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C ZINC001102906282 842700293 /nfs/dbraw/zinc/70/02/93/842700293.db2.gz ANNPPXQDKFMPMA-FRRDWIJNSA-N 0 3 362.496 -0.448 20 0 FBADHN CCn1nccc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102906337 842699444 /nfs/dbraw/zinc/69/94/44/842699444.db2.gz CXTUQWUTHLWDKQ-VXGBXAGGSA-N 0 3 350.423 -0.214 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001102906582 842700241 /nfs/dbraw/zinc/70/02/41/842700241.db2.gz RQDJZFCRZAHMAF-HZSPNIEDSA-N 0 3 355.483 -0.110 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC1OCCCO1 ZINC001102911749 842700005 /nfs/dbraw/zinc/70/00/05/842700005.db2.gz BVKJRFSXEHXROJ-VXGBXAGGSA-N 0 3 356.423 -0.591 20 0 FBADHN CC(=O)N1CC(C(=O)NCC[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001102915120 842699899 /nfs/dbraw/zinc/69/98/99/842699899.db2.gz PKQBHDCTCLFUKN-TZMCWYRMSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)c1cc(=O)n(C)o1 ZINC001102916049 842702063 /nfs/dbraw/zinc/70/20/63/842702063.db2.gz XUGKURJRGXASMI-VXGBXAGGSA-N 0 3 350.419 -0.055 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)Cc1ccnn1C ZINC001102922918 842701554 /nfs/dbraw/zinc/70/15/54/842701554.db2.gz IGQPEKLZYGHPAA-VXGBXAGGSA-N 0 3 350.423 -0.768 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1ccnn1C ZINC001102923150 842701764 /nfs/dbraw/zinc/70/17/64/842701764.db2.gz VNHGOLZOAFKLAK-ZIAGYGMSSA-N 0 3 371.507 -0.414 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1cncnc1 ZINC001102923371 842701662 /nfs/dbraw/zinc/70/16/62/842701662.db2.gz GLBAMAGXVQFKTO-UKRRQHHQSA-N 0 3 369.491 -0.358 20 0 FBADHN CCn1ccnc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102923697 842701966 /nfs/dbraw/zinc/70/19/66/842701966.db2.gz WYMACMIMSFTBIL-VXGBXAGGSA-N 0 3 350.423 -0.214 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCc1ncc[nH]1 ZINC001102925187 842701222 /nfs/dbraw/zinc/70/12/22/842701222.db2.gz MFEVNETXKCBVCS-VXGBXAGGSA-N 0 3 350.423 -0.389 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1ncc[nH]1 ZINC001102926490 842701934 /nfs/dbraw/zinc/70/19/34/842701934.db2.gz FGNOKNJGZLTHIO-ZIAGYGMSSA-N 0 3 371.507 -0.034 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1CCC(O)CC1 ZINC001102926692 842701702 /nfs/dbraw/zinc/70/17/02/842701702.db2.gz PWRZNUHCDXQRLV-NELGMTEASA-N 0 3 354.451 -0.193 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnnn1C ZINC001102929403 842701096 /nfs/dbraw/zinc/70/10/96/842701096.db2.gz IZWITVVCEOIGBK-CHWSQXEVSA-N 0 3 357.480 -0.062 20 0 FBADHN CCn1nncc1CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001102930770 842702040 /nfs/dbraw/zinc/70/20/40/842702040.db2.gz CNVXPWJKQOMIGH-BZPMIXESSA-N 0 3 350.423 -0.019 20 0 FBADHN CCn1nncc1CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001102930771 842701392 /nfs/dbraw/zinc/70/13/92/842701392.db2.gz CNVXPWJKQOMIGH-YRGRVCCFSA-N 0 3 350.423 -0.019 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC001102931052 842701783 /nfs/dbraw/zinc/70/17/83/842701783.db2.gz LTDXXHYTJRIOIO-BNOWGMLFSA-N 0 3 352.435 -0.305 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001102931053 842702023 /nfs/dbraw/zinc/70/20/23/842702023.db2.gz LTDXXHYTJRIOIO-MRVWCRGKSA-N 0 3 352.435 -0.305 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnnn2C)C1 ZINC001102931213 842701454 /nfs/dbraw/zinc/70/14/54/842701454.db2.gz QJDJUPRPWGRAMW-GMTAPVOTSA-N 0 3 351.411 -0.914 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnnn2C)C1 ZINC001102931214 842701507 /nfs/dbraw/zinc/70/15/07/842701507.db2.gz QJDJUPRPWGRAMW-OUAUKWLOSA-N 0 3 351.411 -0.914 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](OC)C2CC2)C1 ZINC001102931303 842701637 /nfs/dbraw/zinc/70/16/37/842701637.db2.gz SCZNTETYTZWCAL-KYOSRNDESA-N 0 3 354.451 -0.059 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](OC)C2CC2)C1 ZINC001102931304 842701315 /nfs/dbraw/zinc/70/13/15/842701315.db2.gz SCZNTETYTZWCAL-UXIGCNINSA-N 0 3 354.451 -0.059 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnnn1C ZINC001102931355 842701065 /nfs/dbraw/zinc/70/10/65/842701065.db2.gz UCTQACWAZHRDOE-VXGBXAGGSA-N 0 3 358.468 -0.948 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1cnnn1C ZINC001102934150 842701270 /nfs/dbraw/zinc/70/12/70/842701270.db2.gz LHQOCCFEOWLNMA-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1cnnn1C ZINC001102934151 842701672 /nfs/dbraw/zinc/70/16/72/842701672.db2.gz LHQOCCFEOWLNMA-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001102936110 842701188 /nfs/dbraw/zinc/70/11/88/842701188.db2.gz AYQSHGISEWSJNL-JHJVBQTASA-N 0 3 361.464 -0.396 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC001102936111 842701625 /nfs/dbraw/zinc/70/16/25/842701625.db2.gz AYQSHGISEWSJNL-UPJWGTAASA-N 0 3 361.464 -0.396 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001102937369 842701599 /nfs/dbraw/zinc/70/15/99/842701599.db2.gz XMRFBFDLRCZWSU-MCIONIFRSA-N 0 3 354.451 -0.059 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001102937370 842701687 /nfs/dbraw/zinc/70/16/87/842701687.db2.gz XMRFBFDLRCZWSU-MGPQQGTHSA-N 0 3 354.451 -0.059 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](O)C(C)C)C1 ZINC001102940817 842703213 /nfs/dbraw/zinc/70/32/13/842703213.db2.gz JUWLSRZPQWHTED-UMVBOHGHSA-N 0 3 356.467 -0.077 20 0 FBADHN CC(C)[C@@H](O)C(=O)NCC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102940842 842703590 /nfs/dbraw/zinc/70/35/90/842703590.db2.gz LJICNMOWRVUNMR-BFYDXBDKSA-N 0 3 355.479 -0.064 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1cn(C)nn1 ZINC001102943963 842703393 /nfs/dbraw/zinc/70/33/93/842703393.db2.gz QFYRCJMOJJSBQJ-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1cn(C)nn1 ZINC001102943964 842702611 /nfs/dbraw/zinc/70/26/11/842702611.db2.gz QFYRCJMOJJSBQJ-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cn(C)nn1 ZINC001102943979 842702583 /nfs/dbraw/zinc/70/25/83/842702583.db2.gz RDWKRSNFJKPCFP-VXGBXAGGSA-N 0 3 358.468 -0.948 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)nn2)C1 ZINC001102944032 842702722 /nfs/dbraw/zinc/70/27/22/842702722.db2.gz SYNWWVAQEGERSS-GMTAPVOTSA-N 0 3 351.411 -0.914 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)nn2)C1 ZINC001102944033 842702672 /nfs/dbraw/zinc/70/26/72/842702672.db2.gz SYNWWVAQEGERSS-OUAUKWLOSA-N 0 3 351.411 -0.914 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)c1cn(C)nn1 ZINC001102944115 842703465 /nfs/dbraw/zinc/70/34/65/842703465.db2.gz YECJDEPLHNUKNY-CHWSQXEVSA-N 0 3 357.480 -0.062 20 0 FBADHN Cc1nnc(CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)o1 ZINC001102944741 842703514 /nfs/dbraw/zinc/70/35/14/842703514.db2.gz MHWOISFOMKPNSM-MWLCHTKSSA-N 0 3 352.395 -0.810 20 0 FBADHN CCn1ncc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)n1 ZINC001102945830 842703267 /nfs/dbraw/zinc/70/32/67/842703267.db2.gz KASIFJFFQXJOKR-GHMZBOCLSA-N 0 3 351.411 -0.819 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1ncn(C)n1 ZINC001102947049 842703087 /nfs/dbraw/zinc/70/30/87/842703087.db2.gz CFVMBMBRQVWPRP-VXGBXAGGSA-N 0 3 358.468 -0.948 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)c1ncn(C)n1 ZINC001102947112 842703310 /nfs/dbraw/zinc/70/33/10/842703310.db2.gz FFAHUAKGNAZUGJ-CHWSQXEVSA-N 0 3 357.480 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1ncn(C)n1 ZINC001102947227 842703349 /nfs/dbraw/zinc/70/33/49/842703349.db2.gz KIZCUSMKNRUJDK-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1ncn(C)n1 ZINC001102947228 842703169 /nfs/dbraw/zinc/70/31/69/842703169.db2.gz KIZCUSMKNRUJDK-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncn(C)n2)C1 ZINC001102947363 842703338 /nfs/dbraw/zinc/70/33/38/842703338.db2.gz RIIBSRKTUQMXOB-GMTAPVOTSA-N 0 3 351.411 -0.914 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncn(C)n2)C1 ZINC001102947364 842703371 /nfs/dbraw/zinc/70/33/71/842703371.db2.gz RIIBSRKTUQMXOB-OUAUKWLOSA-N 0 3 351.411 -0.914 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCNC(=O)NC)C1 ZINC001102948516 842703246 /nfs/dbraw/zinc/70/32/46/842703246.db2.gz IWUFBQCOHIUCEY-ZIAGYGMSSA-N 0 3 355.483 -0.094 20 0 FBADHN CNC(=O)NCCC(=O)NCC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001102948613 842702807 /nfs/dbraw/zinc/70/28/07/842702807.db2.gz NVWYMYRSUQDXMK-CHWSQXEVSA-N 0 3 353.467 -0.342 20 0 FBADHN CNC(=O)NCCC(=O)NCC[C@@H]1CN(Cc2cnnn2C)C[C@H]1C ZINC001102948791 842703483 /nfs/dbraw/zinc/70/34/83/842703483.db2.gz WCHCJRRMOHQRKU-CHWSQXEVSA-N 0 3 351.455 -0.292 20 0 FBADHN CNC(=O)NCCC(=O)NCC[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1C ZINC001102948835 842703326 /nfs/dbraw/zinc/70/33/26/842703326.db2.gz YBSIKEIOOAZZLQ-ZIAGYGMSSA-N 0 3 355.483 -0.096 20 0 FBADHN CCn1nncc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102948865 842702832 /nfs/dbraw/zinc/70/28/32/842702832.db2.gz YZWMRUXRCFEGBE-GHMZBOCLSA-N 0 3 351.411 -0.819 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001102955606 842703361 /nfs/dbraw/zinc/70/33/61/842703361.db2.gz XHHXPTCWIREYFG-VXGBXAGGSA-N 0 3 350.423 -0.057 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]cc2C)C1 ZINC001102958858 842703409 /nfs/dbraw/zinc/70/34/09/842703409.db2.gz QMCGKGVFUYWEEY-VXGBXAGGSA-N 0 3 350.423 -0.138 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001102958986 842702520 /nfs/dbraw/zinc/70/25/20/842702520.db2.gz XAUHQBSEDKRHKE-GRYCIOLGSA-N 0 3 350.423 -0.058 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001102958987 842703747 /nfs/dbraw/zinc/70/37/47/842703747.db2.gz XAUHQBSEDKRHKE-IJLUTSLNSA-N 0 3 350.423 -0.058 20 0 FBADHN Cc1c[nH]nc1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102960325 842702884 /nfs/dbraw/zinc/70/28/84/842702884.db2.gz REVFSZVEJPRVAO-CHWSQXEVSA-N 0 3 357.480 -0.045 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC2(O)CCC2)C1 ZINC001102961518 842702632 /nfs/dbraw/zinc/70/26/32/842702632.db2.gz DPXLSVAWOSTNIU-CHWSQXEVSA-N 0 3 354.451 -0.179 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CC2(O)CCC2)C1 ZINC001102961722 842703015 /nfs/dbraw/zinc/70/30/15/842703015.db2.gz PLCUCAUGIPZRGQ-FRRDWIJNSA-N 0 3 354.451 -0.051 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CC2(O)CCC2)C1 ZINC001102961723 842703606 /nfs/dbraw/zinc/70/36/06/842703606.db2.gz PLCUCAUGIPZRGQ-JHJVBQTASA-N 0 3 354.451 -0.051 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CC1(O)CCC1 ZINC001102961768 842702957 /nfs/dbraw/zinc/70/29/57/842702957.db2.gz RUXDOEPARJYLHL-ZIAGYGMSSA-N 0 3 361.508 -0.085 20 0 FBADHN Cc1c[nH]nc1C(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102965414 842702977 /nfs/dbraw/zinc/70/29/77/842702977.db2.gz SXQQMDKMRXCBOQ-GRYCIOLGSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1c[nH]nc1C(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102965415 842703048 /nfs/dbraw/zinc/70/30/48/842703048.db2.gz SXQQMDKMRXCBOQ-IJLUTSLNSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1nc(CC(=O)NCC[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2C)n[nH]1 ZINC001102966952 842703559 /nfs/dbraw/zinc/70/35/59/842703559.db2.gz ZEOSKGJBQMPBAG-DGCLKSJQSA-N 0 3 357.480 -0.226 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)Cc1ccn(C)n1 ZINC001102968035 842702930 /nfs/dbraw/zinc/70/29/30/842702930.db2.gz IYESVNDUBKPHAB-VXGBXAGGSA-N 0 3 350.423 -0.768 20 0 FBADHN Cc1cn(C)nc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102969439 842703445 /nfs/dbraw/zinc/70/34/45/842703445.db2.gz HXBNPVWDVFQMFO-ZYHUDNBSSA-N 0 3 350.423 -0.389 20 0 FBADHN Cc1cn(C)nc1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102969582 842703128 /nfs/dbraw/zinc/70/31/28/842703128.db2.gz OYXWFOIHQXLJHD-TZMCWYRMSA-N 0 3 371.507 -0.034 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1ccn(C)n1 ZINC001102969721 842703197 /nfs/dbraw/zinc/70/31/97/842703197.db2.gz VWCAWSZDHMXSCQ-ZIAGYGMSSA-N 0 3 371.507 -0.414 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)N2CCCC2)C1 ZINC001102972545 842704658 /nfs/dbraw/zinc/70/46/58/842704658.db2.gz OCNDPTRYEPABJW-ZIAGYGMSSA-N 0 3 353.467 -0.388 20 0 FBADHN C[C@@H]1CN(CCF)C[C@H]1CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001102975671 842704482 /nfs/dbraw/zinc/70/44/82/842704482.db2.gz UNDAPBILCHRDFJ-CHWSQXEVSA-N 0 3 352.476 -0.232 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn(CCOC)nn2)C1 ZINC001102975762 842705031 /nfs/dbraw/zinc/70/50/31/842705031.db2.gz YGCMOZYFNVJZJC-CHWSQXEVSA-N 0 3 352.439 -0.642 20 0 FBADHN CNS(=O)(=O)CCC(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102976992 842704523 /nfs/dbraw/zinc/70/45/23/842704523.db2.gz HUIOVFQPKPSTJS-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCS(=O)(=O)NC)C1 ZINC001102977353 842704585 /nfs/dbraw/zinc/70/45/85/842704585.db2.gz XANZSUXLYMMXGE-CHWSQXEVSA-N 0 3 362.496 -0.864 20 0 FBADHN C[C@@H](CC(=O)NCC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C)NC(N)=O ZINC001102978586 842704632 /nfs/dbraw/zinc/70/46/32/842704632.db2.gz BBWGXHMMCYSAKC-FRRDWIJNSA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@H](CC(=O)NCC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C)NC(N)=O ZINC001102978587 842704338 /nfs/dbraw/zinc/70/43/38/842704338.db2.gz BBWGXHMMCYSAKC-JHJVBQTASA-N 0 3 353.467 -0.214 20 0 FBADHN C[C@@H](CC(=O)NCC[C@@H]1CN(Cc2cnnn2C)C[C@H]1C)NC(N)=O ZINC001102978964 842706398 /nfs/dbraw/zinc/70/63/98/842706398.db2.gz PANXIVXKOMBPKK-FRRDWIJNSA-N 0 3 351.455 -0.164 20 0 FBADHN C[C@H](CC(=O)NCC[C@@H]1CN(Cc2cnnn2C)C[C@H]1C)NC(N)=O ZINC001102978965 842705944 /nfs/dbraw/zinc/70/59/44/842705944.db2.gz PANXIVXKOMBPKK-JHJVBQTASA-N 0 3 351.455 -0.164 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001102980488 842706752 /nfs/dbraw/zinc/70/67/52/842706752.db2.gz NNOGXHHSGPZUCH-CHWSQXEVSA-N 0 3 359.492 -0.239 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CO[C@@H]1CCOC1 ZINC001102980531 842706276 /nfs/dbraw/zinc/70/62/76/842706276.db2.gz OXPGTUBLKBRKBB-JHJVBQTASA-N 0 3 356.423 -0.939 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CO[C@H]1CCOC1 ZINC001102980532 842706034 /nfs/dbraw/zinc/70/60/34/842706034.db2.gz OXPGTUBLKBRKBB-UPJWGTAASA-N 0 3 356.423 -0.939 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001102989253 842706499 /nfs/dbraw/zinc/70/64/99/842706499.db2.gz FKQFZDJLUIDCMA-VXGBXAGGSA-N 0 3 352.435 -0.669 20 0 FBADHN Cc1nn(C)c(C)c1OCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102989534 842706527 /nfs/dbraw/zinc/70/65/27/842706527.db2.gz TVMZFJTUUWPYRH-BXUZGUMPSA-N 0 3 351.451 -0.025 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102991301 842706484 /nfs/dbraw/zinc/70/64/84/842706484.db2.gz JEEZRYRBLJIBBV-HZSPNIEDSA-N 0 3 370.479 -0.818 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102991302 842706649 /nfs/dbraw/zinc/70/66/49/842706649.db2.gz JEEZRYRBLJIBBV-MGPQQGTHSA-N 0 3 370.479 -0.818 20 0 FBADHN CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102991585 842706468 /nfs/dbraw/zinc/70/64/68/842706468.db2.gz SYCOOEMRRKIANW-HZSPNIEDSA-N 0 3 351.455 -0.338 20 0 FBADHN CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102991586 842706214 /nfs/dbraw/zinc/70/62/14/842706214.db2.gz SYCOOEMRRKIANW-MGPQQGTHSA-N 0 3 351.455 -0.338 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102991601 842706408 /nfs/dbraw/zinc/70/64/08/842706408.db2.gz UFVAVBHSWWQSQZ-ZIAGYGMSSA-N 0 3 351.455 -0.336 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102992992 842706706 /nfs/dbraw/zinc/70/67/06/842706706.db2.gz PHIVWHOBMZZFLD-CHWSQXEVSA-N 0 3 358.468 -0.818 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102993026 842706108 /nfs/dbraw/zinc/70/61/08/842706108.db2.gz RLHSEGMXCNHIGA-ZIAGYGMSSA-N 0 3 351.455 -0.481 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1c(Cl)cnn1C ZINC001102993135 842706687 /nfs/dbraw/zinc/70/66/87/842706687.db2.gz YOEOPMKQDHNCKP-NXEZZACHSA-N 0 3 370.841 -0.044 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCOCC(F)F ZINC001102995086 842706369 /nfs/dbraw/zinc/70/63/69/842706369.db2.gz FXQQTZIEIJJRTQ-GHMZBOCLSA-N 0 3 364.393 -0.073 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102995243 842706835 /nfs/dbraw/zinc/70/68/35/842706835.db2.gz OLHVZLRUPDDOKX-CHWSQXEVSA-N 0 3 351.455 -0.338 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1coc(S(C)(=O)=O)c1 ZINC001103006215 842706543 /nfs/dbraw/zinc/70/65/43/842706543.db2.gz CROIPBBWHJKFIG-GHMZBOCLSA-N 0 3 357.432 -0.144 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@]12C[C@H]1COC2 ZINC001103008496 842706404 /nfs/dbraw/zinc/70/64/04/842706404.db2.gz NHGBUFUQEONOBS-NYTXWWLZSA-N 0 3 359.492 -0.354 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001103008600 842706441 /nfs/dbraw/zinc/70/64/41/842706441.db2.gz PZKAVWOCUJIZKA-FJZAXULXSA-N 0 3 352.435 -0.447 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001103009992 842707971 /nfs/dbraw/zinc/70/79/71/842707971.db2.gz VXDKCJDOJSLBLF-VXGBXAGGSA-N 0 3 351.455 -0.138 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001103014510 842708547 /nfs/dbraw/zinc/70/85/47/842708547.db2.gz NUCNZKQWOJZWBQ-FRRDWIJNSA-N 0 3 362.496 -0.866 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001103014512 842708355 /nfs/dbraw/zinc/70/83/55/842708355.db2.gz NUCNZKQWOJZWBQ-JHJVBQTASA-N 0 3 362.496 -0.866 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)c2ccoc2)C1 ZINC001103017467 842708520 /nfs/dbraw/zinc/70/85/20/842708520.db2.gz DNLZHHWAQCRODW-CHWSQXEVSA-N 0 3 350.419 -0.170 20 0 FBADHN Cc1occc1C(=O)NCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103017525 842707816 /nfs/dbraw/zinc/70/78/16/842707816.db2.gz HDJWWESIXAFEAS-DGCLKSJQSA-N 0 3 350.419 -0.123 20 0 FBADHN CCC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103018802 842708413 /nfs/dbraw/zinc/70/84/13/842708413.db2.gz NNSASQXQGPBHNG-GRYCIOLGSA-N 0 3 355.439 -0.830 20 0 FBADHN CCC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103018805 842708049 /nfs/dbraw/zinc/70/80/49/842708049.db2.gz NNSASQXQGPBHNG-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(=O)COC)C1 ZINC001103020265 842707703 /nfs/dbraw/zinc/70/77/03/842707703.db2.gz MSTJOGVFBANVSA-HZSPNIEDSA-N 0 3 356.467 -0.652 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001103020266 842708267 /nfs/dbraw/zinc/70/82/67/842708267.db2.gz MSTJOGVFBANVSA-MGPQQGTHSA-N 0 3 356.467 -0.652 20 0 FBADHN C[C@H](NC(=O)c1ccoc1)C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103020477 842707416 /nfs/dbraw/zinc/70/74/16/842707416.db2.gz TVZBFKZWHIDGFA-FRRDWIJNSA-N 0 3 350.419 -0.043 20 0 FBADHN C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103020478 842708330 /nfs/dbraw/zinc/70/83/30/842708330.db2.gz TVZBFKZWHIDGFA-JHJVBQTASA-N 0 3 350.419 -0.043 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001103023399 842708223 /nfs/dbraw/zinc/70/82/23/842708223.db2.gz RUWWYDYCSCRMDT-VXGBXAGGSA-N 0 3 351.455 -0.470 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1nn(C)cc1Cl ZINC001103024900 842707950 /nfs/dbraw/zinc/70/79/50/842707950.db2.gz JEJQLXVFPRYGHX-NXEZZACHSA-N 0 3 370.841 -0.044 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](CCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001103026263 842708072 /nfs/dbraw/zinc/70/80/72/842708072.db2.gz DUNXAGRSOZCVSO-ZIAGYGMSSA-N 0 3 362.492 -0.232 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1nccn1 ZINC001103035593 842709844 /nfs/dbraw/zinc/70/98/44/842709844.db2.gz OCXKLFWOEPZVDE-QLFBSQMISA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1nccn1 ZINC001103035594 842709789 /nfs/dbraw/zinc/70/97/89/842709789.db2.gz OCXKLFWOEPZVDE-RBSFLKMASA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1nccn1 ZINC001103035753 842709449 /nfs/dbraw/zinc/70/94/49/842709449.db2.gz WRZIAZCPGWEVKD-ZIAGYGMSSA-N 0 3 357.480 -0.213 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNS(=O)(=O)CC)C1 ZINC001103049736 842709677 /nfs/dbraw/zinc/70/96/77/842709677.db2.gz CCKDTPIAALNLOX-CHWSQXEVSA-N 0 3 362.496 -0.864 20 0 FBADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CCNC(=O)CN(C)S(C)(=O)=O ZINC001103049971 842708991 /nfs/dbraw/zinc/70/89/91/842708991.db2.gz MTZYFMLXUPTEQO-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001103050101 842709344 /nfs/dbraw/zinc/70/93/44/842709344.db2.gz RYEQBLHCFZCCPS-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CCNC(=O)CCNS(C)(=O)=O ZINC001103051517 842711006 /nfs/dbraw/zinc/71/10/06/842711006.db2.gz COXIRFNHVCVMAY-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCNS(C)(=O)=O)C1 ZINC001103052052 842710600 /nfs/dbraw/zinc/71/06/00/842710600.db2.gz XMKYWDYBTBCFCH-CHWSQXEVSA-N 0 3 362.496 -0.864 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(=O)COC)C1 ZINC001103052740 842711369 /nfs/dbraw/zinc/71/13/69/842711369.db2.gz KVIGMMGJGSRVEI-ZIAGYGMSSA-N 0 3 356.467 -0.699 20 0 FBADHN CCS(=O)(=O)NCC(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001103053096 842710722 /nfs/dbraw/zinc/71/07/22/842710722.db2.gz WJPFWCFATKNLPL-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001103053879 842710461 /nfs/dbraw/zinc/71/04/61/842710461.db2.gz DVSSHXXSSTURKX-MCIONIFRSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001103053880 842711187 /nfs/dbraw/zinc/71/11/87/842711187.db2.gz DVSSHXXSSTURKX-MGPQQGTHSA-N 0 3 350.463 -0.183 20 0 FBADHN COCCN1C[C@@H](C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)CC1=O ZINC001103053995 842710976 /nfs/dbraw/zinc/71/09/76/842710976.db2.gz IOPNUVOJCZXBCG-MCIONIFRSA-N 0 3 354.451 -0.959 20 0 FBADHN COCCN1C[C@H](C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)CC1=O ZINC001103053996 842710578 /nfs/dbraw/zinc/71/05/78/842710578.db2.gz IOPNUVOJCZXBCG-MGPQQGTHSA-N 0 3 354.451 -0.959 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCNC(=O)COC)C1 ZINC001103055631 842710840 /nfs/dbraw/zinc/71/08/40/842710840.db2.gz LULKGSNZGHFJEL-ZIAGYGMSSA-N 0 3 356.467 -0.651 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001103057287 842712819 /nfs/dbraw/zinc/71/28/19/842712819.db2.gz OUNTYPATOWBQNA-FRRDWIJNSA-N 0 3 352.435 -0.656 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001103057288 842712279 /nfs/dbraw/zinc/71/22/79/842712279.db2.gz OUNTYPATOWBQNA-JHJVBQTASA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCCN1C(=O)CCC1=O ZINC001103057324 842712514 /nfs/dbraw/zinc/71/25/14/842712514.db2.gz QXHAWNUQXBMAMS-CHWSQXEVSA-N 0 3 352.435 -0.525 20 0 FBADHN CNC(=O)NCC(=O)NCC[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1C ZINC001103058698 842711832 /nfs/dbraw/zinc/71/18/32/842711832.db2.gz DUHDMOFARDGRAT-CHWSQXEVSA-N 0 3 355.483 -0.096 20 0 FBADHN CNC(=O)NCC(=O)NCC[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001103058717 842712501 /nfs/dbraw/zinc/71/25/01/842712501.db2.gz FQVCWJMFQAUNBU-TZMCWYRMSA-N 0 3 353.467 -0.484 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)NC)C1 ZINC001103058782 842712631 /nfs/dbraw/zinc/71/26/31/842712631.db2.gz IJTAXLXLYAQOJT-ZIAGYGMSSA-N 0 3 355.483 -0.094 20 0 FBADHN CCn1nncc1CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)NC)C1 ZINC001103058853 842712534 /nfs/dbraw/zinc/71/25/34/842712534.db2.gz MOAFZHKBOUEYQC-CHWSQXEVSA-N 0 3 351.455 -0.199 20 0 FBADHN CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)NC)C1 ZINC001103059029 842712295 /nfs/dbraw/zinc/71/22/95/842712295.db2.gz WDKGULOBKVUVOR-HZSPNIEDSA-N 0 3 355.483 -0.096 20 0 FBADHN CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)NC)C1 ZINC001103059030 842712224 /nfs/dbraw/zinc/71/22/24/842712224.db2.gz WDKGULOBKVUVOR-MGPQQGTHSA-N 0 3 355.483 -0.096 20 0 FBADHN CNC(=O)NCC(=O)NCC[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C ZINC001103061975 842712078 /nfs/dbraw/zinc/71/20/78/842712078.db2.gz JKAQXFVBGCJYOD-CHWSQXEVSA-N 0 3 362.496 -0.576 20 0 FBADHN CNC(=O)NCC(=O)NCC[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1C ZINC001103062049 842712018 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FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@H]1CCNC1=O ZINC001103080632 842712800 /nfs/dbraw/zinc/71/28/00/842712800.db2.gz FYGNMZOBFMZRDS-MGPQQGTHSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001103085058 842713600 /nfs/dbraw/zinc/71/36/00/842713600.db2.gz BWNRKSCXAAUQPH-KFWWJZLASA-N 0 3 350.467 -0.627 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001103085059 842714184 /nfs/dbraw/zinc/71/41/84/842714184.db2.gz BWNRKSCXAAUQPH-RBSFLKMASA-N 0 3 350.467 -0.627 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN2CCOCC2=O)C1 ZINC001103091430 842713919 /nfs/dbraw/zinc/71/39/19/842713919.db2.gz LYLDHCYUOSWUGO-ZIAGYGMSSA-N 0 3 354.451 -0.945 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001103099489 842714519 /nfs/dbraw/zinc/71/45/19/842714519.db2.gz NXTVXMJDAWEZFH-CZXHOFHRSA-N 0 3 356.423 -0.941 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(N)=O)C1 ZINC001103110292 842714294 /nfs/dbraw/zinc/71/42/94/842714294.db2.gz HRMFJGFJJDQTAS-GHMZBOCLSA-N 0 3 355.439 -0.972 20 0 FBADHN Cc1ncn(C)c1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103111600 842713882 /nfs/dbraw/zinc/71/38/82/842713882.db2.gz DGEIBXKRMDNHPY-ZYHUDNBSSA-N 0 3 350.423 -0.389 20 0 FBADHN Cc1ncn(C)c1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103113227 842715794 /nfs/dbraw/zinc/71/57/94/842715794.db2.gz AMNKFQLMMKNVII-TZMCWYRMSA-N 0 3 371.507 -0.034 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCCNC1=O ZINC001103113704 842715145 /nfs/dbraw/zinc/71/51/45/842715145.db2.gz UPYUKMYYNDGGJI-NFAWXSAZSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCNC1=O ZINC001103113705 842716109 /nfs/dbraw/zinc/71/61/09/842716109.db2.gz UPYUKMYYNDGGJI-UMVBOHGHSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(N)=O)C1 ZINC001103115101 842715928 /nfs/dbraw/zinc/71/59/28/842715928.db2.gz CPPDYBGAFCXUKQ-GMTAPVOTSA-N 0 3 355.439 -0.845 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(N)=O)C1 ZINC001103115102 842716192 /nfs/dbraw/zinc/71/61/92/842716192.db2.gz CPPDYBGAFCXUKQ-OUAUKWLOSA-N 0 3 355.439 -0.845 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)Cc1cncs1 ZINC001103115131 842715091 /nfs/dbraw/zinc/71/50/91/842715091.db2.gz DUAIXUIUNABZEY-GHMZBOCLSA-N 0 3 353.448 -0.045 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)C(C)(C)C(N)=O ZINC001103115339 842716227 /nfs/dbraw/zinc/71/62/27/842716227.db2.gz OJOMJPMDNQUMTG-VXGBXAGGSA-N 0 3 362.496 -0.879 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cn[nH]c(=O)c1 ZINC001103117634 842715340 /nfs/dbraw/zinc/71/53/40/842715340.db2.gz PKTCLQGLKAEBMJ-NXEZZACHSA-N 0 3 350.379 -0.935 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cn[nH]c(=O)c1 ZINC001103117981 842715608 /nfs/dbraw/zinc/71/56/08/842715608.db2.gz YHDQAJSASFGYPE-VXGBXAGGSA-N 0 3 371.463 -0.581 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103118837 842715198 /nfs/dbraw/zinc/71/51/98/842715198.db2.gz SAJVFEMMJRRMPH-PSASIEDQSA-N 0 3 352.395 -0.694 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCc2nccn2C)C1 ZINC001103123367 842715563 /nfs/dbraw/zinc/71/55/63/842715563.db2.gz RQECGZVAZXZRGJ-ZIAGYGMSSA-N 0 3 351.451 -0.243 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC(OC)C2)C1 ZINC001103124851 842715478 /nfs/dbraw/zinc/71/54/78/842715478.db2.gz MLGKKZBUVGNSSI-IWMBGFJWSA-N 0 3 354.451 -0.059 20 0 FBADHN C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001103126275 842715904 /nfs/dbraw/zinc/71/59/04/842715904.db2.gz DZCXYVUCQYAPFT-VXGBXAGGSA-N 0 3 371.463 -0.581 20 0 FBADHN C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001103126275 842715899 /nfs/dbraw/zinc/71/58/99/842715899.db2.gz DZCXYVUCQYAPFT-VXGBXAGGSA-N 0 3 371.463 -0.581 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccnn2CCOC)C1 ZINC001103126466 842716458 /nfs/dbraw/zinc/71/64/58/842716458.db2.gz OPMSTJGUOOPDTE-ZIAGYGMSSA-N 0 3 351.451 -0.037 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCc2ccnn2C)C1 ZINC001103132573 842715877 /nfs/dbraw/zinc/71/58/77/842715877.db2.gz BIIKOUGYEDEDHA-ZIAGYGMSSA-N 0 3 351.451 -0.243 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001103137120 842716076 /nfs/dbraw/zinc/71/60/76/842716076.db2.gz YCAGJBMOZPIVIB-KLHDSHLOSA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)COCc1cc[nH]c(=O)c1 ZINC001103141695 842716327 /nfs/dbraw/zinc/71/63/27/842716327.db2.gz QKUICPHFDSYPRK-TZMCWYRMSA-N 0 3 350.419 -0.137 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001103143196 842715820 /nfs/dbraw/zinc/71/58/20/842715820.db2.gz LOVMUJDEVSIJPR-CHWSQXEVSA-N 0 3 371.503 -0.369 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001103143241 842715770 /nfs/dbraw/zinc/71/57/70/842715770.db2.gz NYMLTWPOZJHUHW-VXGBXAGGSA-N 0 3 357.476 -0.629 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001103144226 842715857 /nfs/dbraw/zinc/71/58/57/842715857.db2.gz IZFYZNBNXGJIEV-WFFHOREQSA-N 0 3 367.368 -0.108 20 0 FBADHN COc1cc(OC)nc(C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)n1 ZINC001103145889 842715962 /nfs/dbraw/zinc/71/59/62/842715962.db2.gz UBYDXQIQDFGGGL-GHMZBOCLSA-N 0 3 351.407 -0.333 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cnn(C)c1Cl ZINC001103146721 842715420 /nfs/dbraw/zinc/71/54/20/842715420.db2.gz VFEGLBPNCLXIDY-NXEZZACHSA-N 0 3 370.841 -0.044 20 0 FBADHN C[C@@H](C(=O)NCC[C@@H]1CN(CCOCCO)C[C@H]1C)S(C)(=O)=O ZINC001103150162 842717628 /nfs/dbraw/zinc/71/76/28/842717628.db2.gz ZNLKDPHWSYEPKY-HZSPNIEDSA-N 0 3 350.481 -0.497 20 0 FBADHN C[C@H](C(=O)NCC[C@@H]1CN(CCOCCO)C[C@H]1C)S(C)(=O)=O ZINC001103150163 842717663 /nfs/dbraw/zinc/71/76/63/842717663.db2.gz ZNLKDPHWSYEPKY-MGPQQGTHSA-N 0 3 350.481 -0.497 20 0 FBADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](CCNC(=O)CCS(C)(=O)=O)C1 ZINC001103150235 842717131 /nfs/dbraw/zinc/71/71/31/842717131.db2.gz DMEYPGHIIQPOOM-MCIONIFRSA-N 0 3 350.481 -0.497 20 0 FBADHN COC[C@H](O)CN1C[C@@H](C)[C@H](CCNC(=O)CCS(C)(=O)=O)C1 ZINC001103150236 842717164 /nfs/dbraw/zinc/71/71/64/842717164.db2.gz DMEYPGHIIQPOOM-MGPQQGTHSA-N 0 3 350.481 -0.497 20 0 FBADHN COCCN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)CCOC)C1 ZINC001103150445 842717485 /nfs/dbraw/zinc/71/74/85/842717485.db2.gz OOBFPGDIGYFEOX-ZIAGYGMSSA-N 0 3 350.481 -0.232 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1CCNC(=O)CCS(C)(=O)=O ZINC001103150578 842717226 /nfs/dbraw/zinc/71/72/26/842717226.db2.gz XVVILASUPAVIBZ-ZIAGYGMSSA-N 0 3 350.481 -0.496 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001103161043 842718892 /nfs/dbraw/zinc/71/88/92/842718892.db2.gz MGSIVPHMJHGETQ-IJLUTSLNSA-N 0 3 350.423 -0.894 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001103161044 842718423 /nfs/dbraw/zinc/71/84/23/842718423.db2.gz MGSIVPHMJHGETQ-UTUOFQBUSA-N 0 3 350.423 -0.894 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)CC1CS(=O)(=O)C1 ZINC001103164948 842718480 /nfs/dbraw/zinc/71/84/80/842718480.db2.gz DJSYDQIIQFJYCW-TZMCWYRMSA-N 0 3 371.503 -0.226 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)CC1CS(=O)(=O)C1 ZINC001103164983 842718572 /nfs/dbraw/zinc/71/85/72/842718572.db2.gz FYDZTUTYUIQTJV-TZMCWYRMSA-N 0 3 369.491 -0.176 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001103165235 842718439 /nfs/dbraw/zinc/71/84/39/842718439.db2.gz SHKCGZWDWNSDTH-TZMCWYRMSA-N 0 3 359.492 -0.369 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCCN2CC)C1 ZINC001103168545 842720995 /nfs/dbraw/zinc/72/09/95/842720995.db2.gz MYIVLCXTJQDDLD-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCCN2CC)C1 ZINC001103168546 842720585 /nfs/dbraw/zinc/72/05/85/842720585.db2.gz MYIVLCXTJQDDLD-OAGGEKHMSA-N 0 3 354.495 -0.083 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(=O)NCC(F)F)C1 ZINC001103170763 842720737 /nfs/dbraw/zinc/72/07/37/842720737.db2.gz HJDFAISBCVXPBB-VXGBXAGGSA-N 0 3 362.421 -0.032 20 0 FBADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)C(=O)NCC(F)F ZINC001103171611 842719901 /nfs/dbraw/zinc/71/99/01/842719901.db2.gz LATKTXQFOQVYAQ-GHMZBOCLSA-N 0 3 358.393 -0.229 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(=O)NCC(F)F)C1 ZINC001103171711 842719828 /nfs/dbraw/zinc/71/98/28/842719828.db2.gz QMEFETJCZXOROD-VXGBXAGGSA-N 0 3 362.421 -0.034 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C(=O)NCC(F)F ZINC001103171793 842720454 /nfs/dbraw/zinc/72/04/54/842720454.db2.gz VRKZCNWWJNEYPN-GHMZBOCLSA-N 0 3 360.405 -0.280 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001103177111 842720062 /nfs/dbraw/zinc/72/00/62/842720062.db2.gz IKHJMYHZWSYYQS-HZSPNIEDSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001103177112 842720112 /nfs/dbraw/zinc/72/01/12/842720112.db2.gz IKHJMYHZWSYYQS-MGPQQGTHSA-N 0 3 350.463 -0.135 20 0 FBADHN CCc1n[nH]cc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103177300 842720569 /nfs/dbraw/zinc/72/05/69/842720569.db2.gz QYIYASXEHKFSAT-GHMZBOCLSA-N 0 3 350.423 -0.145 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN2CCCNC2=O)C1 ZINC001103184154 842722178 /nfs/dbraw/zinc/72/21/78/842722178.db2.gz LRLBFFIWHKSSNE-ZIAGYGMSSA-N 0 3 353.467 -0.388 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103184356 842721658 /nfs/dbraw/zinc/72/16/58/842721658.db2.gz REVIDMWPNOYEHM-ZIAGYGMSSA-N 0 3 355.483 -0.998 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1sccc1-n1cnnn1 ZINC001103184501 842721668 /nfs/dbraw/zinc/72/16/68/842721668.db2.gz UISLYLGDHDECRK-GHMZBOCLSA-N 0 3 363.447 -0.103 20 0 FBADHN Cc1nnc(COCC(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)s1 ZINC001103195183 842722455 /nfs/dbraw/zinc/72/24/55/842722455.db2.gz CHHJGAKHXSVTSY-ZYHUDNBSSA-N 0 3 355.464 -0.077 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cncn2C)C1 ZINC001103197138 842722553 /nfs/dbraw/zinc/72/25/53/842722553.db2.gz LQGSRUILQNEBPY-GRYCIOLGSA-N 0 3 350.423 -0.309 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cncn2C)C1 ZINC001103197139 842722702 /nfs/dbraw/zinc/72/27/02/842722702.db2.gz LQGSRUILQNEBPY-IJLUTSLNSA-N 0 3 350.423 -0.309 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cncn1C ZINC001103197321 842722199 /nfs/dbraw/zinc/72/21/99/842722199.db2.gz WGWMDEMLYAHOOZ-CHWSQXEVSA-N 0 3 357.480 -0.343 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cncn2C)C1 ZINC001103197322 842722046 /nfs/dbraw/zinc/72/20/46/842722046.db2.gz WGXSZFXHDLYVRZ-VXGBXAGGSA-N 0 3 350.423 -0.437 20 0 FBADHN CCc1nnsc1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103201581 842721654 /nfs/dbraw/zinc/72/16/54/842721654.db2.gz ISIKXQURGQXXMD-NXEZZACHSA-N 0 3 368.463 -0.017 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001103202674 842721997 /nfs/dbraw/zinc/72/19/97/842721997.db2.gz LDDAAHSBQMYHRN-CHWSQXEVSA-N 0 3 352.435 -0.654 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001103202739 842721840 /nfs/dbraw/zinc/72/18/40/842721840.db2.gz OMIYWMRPJLAZGH-HZSPNIEDSA-N 0 3 359.492 -0.369 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001103202740 842721710 /nfs/dbraw/zinc/72/17/10/842721710.db2.gz OMIYWMRPJLAZGH-MGPQQGTHSA-N 0 3 359.492 -0.369 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001103203919 842723681 /nfs/dbraw/zinc/72/36/81/842723681.db2.gz AWXKOFJDFQWIIR-KFWWJZLASA-N 0 3 362.492 -0.496 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001103203920 842723408 /nfs/dbraw/zinc/72/34/08/842723408.db2.gz AWXKOFJDFQWIIR-RBSFLKMASA-N 0 3 362.492 -0.496 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1cnc2sccn2c1=O ZINC001103204014 842723882 /nfs/dbraw/zinc/72/38/82/842723882.db2.gz GTQGVBXTHKCNJB-GHMZBOCLSA-N 0 3 363.443 -0.071 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001103204173 842723506 /nfs/dbraw/zinc/72/35/06/842723506.db2.gz MIUKOIJPDCYMHY-MCIONIFRSA-N 0 3 353.467 -0.403 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001103204174 842723708 /nfs/dbraw/zinc/72/37/08/842723708.db2.gz MIUKOIJPDCYMHY-MGPQQGTHSA-N 0 3 353.467 -0.403 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cc(Cl)n(C)n1 ZINC001103213185 842723590 /nfs/dbraw/zinc/72/35/90/842723590.db2.gz SQMOHLNIOMCALW-NXEZZACHSA-N 0 3 370.841 -0.044 20 0 FBADHN Cc1occc(=O)c1OCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103214708 842723850 /nfs/dbraw/zinc/72/38/50/842723850.db2.gz AEYLHHPFKJAKKK-DGCLKSJQSA-N 0 3 351.403 -0.113 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CCOC)n2)C1 ZINC001103214972 842723239 /nfs/dbraw/zinc/72/32/39/842723239.db2.gz PMIZFYIHKLGQSN-ZIAGYGMSSA-N 0 3 351.451 -0.037 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2(COC)CC2)C1 ZINC001103227343 842723294 /nfs/dbraw/zinc/72/32/94/842723294.db2.gz KFPKVRFDBOQJIY-CHWSQXEVSA-N 0 3 354.451 -0.057 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCc1ccon1 ZINC001103229764 842723626 /nfs/dbraw/zinc/72/36/26/842723626.db2.gz UZXUGPOAJXYNJZ-VXGBXAGGSA-N 0 3 351.407 -0.124 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cnc(Cl)n1C ZINC001103232459 842725641 /nfs/dbraw/zinc/72/56/41/842725641.db2.gz PCUVNZYJMPMLEQ-NXEZZACHSA-N 0 3 370.841 -0.044 20 0 FBADHN Cc1cncn1CC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103233152 842725187 /nfs/dbraw/zinc/72/51/87/842725187.db2.gz BOPXVJOJGAPHDS-DGCLKSJQSA-N 0 3 350.423 -0.539 20 0 FBADHN Cc1cncn1CC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103233799 842725290 /nfs/dbraw/zinc/72/52/90/842725290.db2.gz SACLHBHCTFFBAG-UKRRQHHQSA-N 0 3 371.507 -0.185 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001103248529 842725714 /nfs/dbraw/zinc/72/57/14/842725714.db2.gz MUTKAVKGGUBZEZ-SYQHCUMBSA-N 0 3 354.451 -0.641 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001103258479 842724701 /nfs/dbraw/zinc/72/47/01/842724701.db2.gz BXTAVLGAZHRQJQ-LFYQSXPISA-N 0 3 353.463 -0.142 20 0 FBADHN CC(C)=CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001103258709 842725028 /nfs/dbraw/zinc/72/50/28/842725028.db2.gz OBQUPIFUFKYCFH-KFWWJZLASA-N 0 3 371.503 -0.060 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001103261631 842725357 /nfs/dbraw/zinc/72/53/57/842725357.db2.gz SAAJHWDLWLDDSY-SNUQEOBHSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001103261632 842725205 /nfs/dbraw/zinc/72/52/05/842725205.db2.gz SAAJHWDLWLDDSY-VFVRVIDISA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)COCC(F)F ZINC001103266778 842725616 /nfs/dbraw/zinc/72/56/16/842725616.db2.gz FECZAIDQXBULKO-VXGBXAGGSA-N 0 3 371.450 -0.109 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC(F)F)C1 ZINC001103266790 842724780 /nfs/dbraw/zinc/72/47/80/842724780.db2.gz FQLJEUCZHOKSCA-GHMZBOCLSA-N 0 3 364.393 -0.202 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)COCC(F)F ZINC001103267577 842724906 /nfs/dbraw/zinc/72/49/06/842724906.db2.gz YEGJPZSIHVBFND-NXEZZACHSA-N 0 3 350.366 -0.463 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)COCC(F)F)C1 ZINC001103268273 842725321 /nfs/dbraw/zinc/72/53/21/842725321.db2.gz UWLVMWFTFJMIHN-GMTAPVOTSA-N 0 3 364.393 -0.074 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)COCC(F)F)C1 ZINC001103268274 842725565 /nfs/dbraw/zinc/72/55/65/842725565.db2.gz UWLVMWFTFJMIHN-OUAUKWLOSA-N 0 3 364.393 -0.074 20 0 FBADHN CCC[C@H](C(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C)S(N)(=O)=O ZINC001103269863 842724884 /nfs/dbraw/zinc/72/48/84/842724884.db2.gz SDUBCERNSMVWRK-JHJVBQTASA-N 0 3 362.496 -0.736 20 0 FBADHN CCC[C@@H](C(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C)S(N)(=O)=O ZINC001103269864 842725130 /nfs/dbraw/zinc/72/51/30/842725130.db2.gz SDUBCERNSMVWRK-UPJWGTAASA-N 0 3 362.496 -0.736 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001103271197 842724951 /nfs/dbraw/zinc/72/49/51/842724951.db2.gz CHWQZNJCFPOKLZ-JHJVBQTASA-N 0 3 362.421 -0.488 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001103271198 842725075 /nfs/dbraw/zinc/72/50/75/842725075.db2.gz CHWQZNJCFPOKLZ-UPJWGTAASA-N 0 3 362.421 -0.488 20 0 FBADHN CO[C@H]1C[C@H](C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)N(C(C)=O)C1 ZINC001103276771 842726470 /nfs/dbraw/zinc/72/64/70/842726470.db2.gz RMVXAJPRTFIBQU-REBRKWNGSA-N 0 3 354.451 -0.818 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001103276903 842726849 /nfs/dbraw/zinc/72/68/49/842726849.db2.gz XAGSOWBZPLVFLD-IOASZLSFSA-N 0 3 351.451 -0.072 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001103276904 842726927 /nfs/dbraw/zinc/72/69/27/842726927.db2.gz XAGSOWBZPLVFLD-XJKCOSOUSA-N 0 3 351.451 -0.072 20 0 FBADHN COc1nc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)co1 ZINC001103278619 842726391 /nfs/dbraw/zinc/72/63/91/842726391.db2.gz OWHYZUIFSSTKKC-NXEZZACHSA-N 0 3 353.379 -0.434 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2csnn2)C1 ZINC001103282147 842727180 /nfs/dbraw/zinc/72/71/80/842727180.db2.gz GMABCQWXDLFRGH-NXEZZACHSA-N 0 3 354.436 -0.319 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2csnn2)C1 ZINC001103282319 842727084 /nfs/dbraw/zinc/72/70/84/842727084.db2.gz NYUNRUYRFHRKJS-KXUCPTDWSA-N 0 3 354.436 -0.191 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2csnn2)C1 ZINC001103282320 842727192 /nfs/dbraw/zinc/72/71/92/842727192.db2.gz NYUNRUYRFHRKJS-OPRDCNLKSA-N 0 3 354.436 -0.191 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1csnn1 ZINC001103282384 842726828 /nfs/dbraw/zinc/72/68/28/842726828.db2.gz RGOAKHSRKIJFIU-GHMZBOCLSA-N 0 3 361.493 -0.225 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCn1ccnc1 ZINC001103290163 842726653 /nfs/dbraw/zinc/72/66/53/842726653.db2.gz BLZZVGSTMGZQBB-CHWSQXEVSA-N 0 3 350.423 -0.458 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCn1ccnc1 ZINC001103291618 842726907 /nfs/dbraw/zinc/72/69/07/842726907.db2.gz KNYABZTVBGDFBO-HUUCEWRRSA-N 0 3 371.507 -0.103 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]nc2C)C1 ZINC001103294670 842726997 /nfs/dbraw/zinc/72/69/97/842726997.db2.gz JJAXERSQHIHORF-ZYHUDNBSSA-N 0 3 350.423 -0.138 20 0 FBADHN Cc1n[nH]cc1C(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103296568 842726567 /nfs/dbraw/zinc/72/65/67/842726567.db2.gz AYUCFAUTQSTTNK-ADEWGFFLSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1n[nH]cc1C(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103296570 842727153 /nfs/dbraw/zinc/72/71/53/842727153.db2.gz AYUCFAUTQSTTNK-YUSALJHKSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1n[nH]cc1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103296972 842727229 /nfs/dbraw/zinc/72/72/29/842727229.db2.gz RLNGDZRYEAKRTJ-DGCLKSJQSA-N 0 3 357.480 -0.045 20 0 FBADHN Cc1nn[nH]c1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103301568 842726235 /nfs/dbraw/zinc/72/62/35/842726235.db2.gz AORQCZYREZINSN-ZYHUDNBSSA-N 0 3 358.468 -0.650 20 0 FBADHN CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[n-]nnc2C)C1 ZINC001103301743 842726301 /nfs/dbraw/zinc/72/63/01/842726301.db2.gz FSLRKZDCQODOPQ-MWLCHTKSSA-N 0 3 351.411 -0.743 20 0 FBADHN CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[n-]nnc2C)C1 ZINC001103301743 842726298 /nfs/dbraw/zinc/72/62/98/842726298.db2.gz FSLRKZDCQODOPQ-MWLCHTKSSA-N 0 3 351.411 -0.743 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC(N)=O)C1 ZINC001103310276 842728131 /nfs/dbraw/zinc/72/81/31/842728131.db2.gz PYZQNIXEROJIEK-IJLUTSLNSA-N 0 3 355.439 -0.972 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001103310277 842728643 /nfs/dbraw/zinc/72/86/43/842728643.db2.gz PYZQNIXEROJIEK-QJPTWQEYSA-N 0 3 355.439 -0.972 20 0 FBADHN C[C@H](CC(N)=O)C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103310487 842728338 /nfs/dbraw/zinc/72/83/38/842728338.db2.gz UEFKCIKHTSUEGQ-JHJVBQTASA-N 0 3 362.496 -0.879 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103310488 842727842 /nfs/dbraw/zinc/72/78/42/842727842.db2.gz UEFKCIKHTSUEGQ-YNEHKIRRSA-N 0 3 362.496 -0.879 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001103314931 842728414 /nfs/dbraw/zinc/72/84/14/842728414.db2.gz HDQXXGZXNVJOHS-BZPMIXESSA-N 0 3 351.451 -0.637 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001103314932 842728619 /nfs/dbraw/zinc/72/86/19/842728619.db2.gz HDQXXGZXNVJOHS-YRGRVCCFSA-N 0 3 351.451 -0.637 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001103315094 842728462 /nfs/dbraw/zinc/72/84/62/842728462.db2.gz OWUHLGXKBIBBTF-MCIONIFRSA-N 0 3 353.467 -0.391 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001103315095 842728328 /nfs/dbraw/zinc/72/83/28/842728328.db2.gz OWUHLGXKBIBBTF-MGPQQGTHSA-N 0 3 353.467 -0.391 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001103315158 842728205 /nfs/dbraw/zinc/72/82/05/842728205.db2.gz RCOFDQHLQBYHDF-MCIONIFRSA-N 0 3 353.467 -0.390 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001103315159 842727898 /nfs/dbraw/zinc/72/78/98/842727898.db2.gz RCOFDQHLQBYHDF-MGPQQGTHSA-N 0 3 353.467 -0.390 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCNC1=O ZINC001103316421 842728176 /nfs/dbraw/zinc/72/81/76/842728176.db2.gz FDLIWODJLNHMHI-BPLDGKMQSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCNC1=O ZINC001103316422 842728537 /nfs/dbraw/zinc/72/85/37/842728537.db2.gz FDLIWODJLNHMHI-YUELXQCFSA-N 0 3 350.463 -0.277 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCNC1=O ZINC001103316638 842727672 /nfs/dbraw/zinc/72/76/72/842727672.db2.gz LNERGYCNORARLY-MCIONIFRSA-N 0 3 359.492 -0.369 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCNC1=O ZINC001103316639 842728634 /nfs/dbraw/zinc/72/86/34/842728634.db2.gz LNERGYCNORARLY-MGPQQGTHSA-N 0 3 359.492 -0.369 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001103316843 842728258 /nfs/dbraw/zinc/72/82/58/842728258.db2.gz RGRGMZBZMWVJTJ-KFWWJZLASA-N 0 3 352.479 -0.031 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001103316844 842728292 /nfs/dbraw/zinc/72/82/92/842728292.db2.gz RGRGMZBZMWVJTJ-RBSFLKMASA-N 0 3 352.479 -0.031 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1c[nH]c(=O)n1C ZINC001103318224 842728515 /nfs/dbraw/zinc/72/85/15/842728515.db2.gz KDNKQEOOHIPRRK-NXEZZACHSA-N 0 3 352.395 -0.992 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001103330712 842728559 /nfs/dbraw/zinc/72/85/59/842728559.db2.gz GIZYCWKPWBPKRK-NFAWXSAZSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103331990 842729543 /nfs/dbraw/zinc/72/95/43/842729543.db2.gz AIRIHSQXUWEKLF-FRRDWIJNSA-N 0 3 370.479 -0.667 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103331991 842729653 /nfs/dbraw/zinc/72/96/53/842729653.db2.gz AIRIHSQXUWEKLF-JHJVBQTASA-N 0 3 370.479 -0.667 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103332068 842729503 /nfs/dbraw/zinc/72/95/03/842729503.db2.gz DSXWSTBXKYEIGL-CHWSQXEVSA-N 0 3 351.455 -0.330 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103332291 842729448 /nfs/dbraw/zinc/72/94/48/842729448.db2.gz NMZPJVMWMWMJBT-VXGBXAGGSA-N 0 3 358.468 -0.667 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103334264 842729313 /nfs/dbraw/zinc/72/93/13/842729313.db2.gz WTQPMDDNVCNXHO-VXGBXAGGSA-N 0 3 351.455 -0.187 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103335377 842729991 /nfs/dbraw/zinc/72/99/91/842729991.db2.gz BKKMAQGGGJCXOP-CHWSQXEVSA-N 0 3 351.455 -0.186 20 0 FBADHN Cc1cnn(C)c1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103335665 842730060 /nfs/dbraw/zinc/73/00/60/842730060.db2.gz MGVAWNSPPTVYKC-VXGBXAGGSA-N 0 3 350.423 -0.389 20 0 FBADHN Cc1cnn(C)c1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103335820 842730512 /nfs/dbraw/zinc/73/05/12/842730512.db2.gz SLWYUGZNVIMPRI-ZIAGYGMSSA-N 0 3 371.507 -0.034 20 0 FBADHN CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103335942 842729681 /nfs/dbraw/zinc/72/96/81/842729681.db2.gz XANWVNUUHBKAAH-FRRDWIJNSA-N 0 3 351.455 -0.187 20 0 FBADHN CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103335943 842729278 /nfs/dbraw/zinc/72/92/78/842729278.db2.gz XANWVNUUHBKAAH-JHJVBQTASA-N 0 3 351.455 -0.187 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001103342837 842729571 /nfs/dbraw/zinc/72/95/71/842729571.db2.gz IMRUIYICGHSDII-NTASLKFISA-N 0 3 352.435 -0.591 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001103345958 842729522 /nfs/dbraw/zinc/72/95/22/842729522.db2.gz BWEYCNUYJUIBCK-NFAWXSAZSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCN(C)C1=O ZINC001103345959 842730011 /nfs/dbraw/zinc/73/00/11/842730011.db2.gz BWEYCNUYJUIBCK-UMVBOHGHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1csc(=O)[nH]1 ZINC001103348214 842730084 /nfs/dbraw/zinc/73/00/84/842730084.db2.gz KDEYIOAOQHNQFQ-RKDXNWHRSA-N 0 3 355.420 -0.269 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2csc(=O)[nH]2)C1 ZINC001103348370 842730036 /nfs/dbraw/zinc/73/00/36/842730036.db2.gz RLCUYLLRXOKDJJ-NXEZZACHSA-N 0 3 369.447 -0.008 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001103349659 842729484 /nfs/dbraw/zinc/72/94/84/842729484.db2.gz LLDBBBVFWOIORK-FDFVQJQPSA-N 0 3 352.435 -0.464 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001103349660 842730185 /nfs/dbraw/zinc/73/01/85/842730185.db2.gz LLDBBBVFWOIORK-KJKVDNPUSA-N 0 3 352.435 -0.464 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001103349945 842729707 /nfs/dbraw/zinc/72/97/07/842729707.db2.gz XQHXOBQLDASKBL-ZSAUSMIDSA-N 0 3 359.492 -0.498 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2cnoc2)C1 ZINC001103356573 842729797 /nfs/dbraw/zinc/72/97/97/842729797.db2.gz MITYFCVYPAKNNT-DGCLKSJQSA-N 0 3 351.407 -0.253 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1CCC(=O)N1C ZINC001103357803 842729218 /nfs/dbraw/zinc/72/92/18/842729218.db2.gz GIZYCWKPWBPKRK-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1cnoc1 ZINC001103357957 842730484 /nfs/dbraw/zinc/73/04/84/842730484.db2.gz PLFOHLNSAGPCOO-TZMCWYRMSA-N 0 3 358.464 -0.160 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2cnoc2)C1 ZINC001103358024 842729764 /nfs/dbraw/zinc/72/97/64/842729764.db2.gz UWXGRSUTROAXPE-NQBHXWOUSA-N 0 3 351.407 -0.125 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2cnoc2)C1 ZINC001103358025 842729818 /nfs/dbraw/zinc/72/98/18/842729818.db2.gz UWXGRSUTROAXPE-NTZNESFSSA-N 0 3 351.407 -0.125 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@]1(F)CCOC1 ZINC001103365287 842730379 /nfs/dbraw/zinc/73/03/79/842730379.db2.gz XEZDZFLJCSIEJQ-NFAWXSAZSA-N 0 3 365.471 -0.262 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@]1(F)CCOC1 ZINC001103365288 842730107 /nfs/dbraw/zinc/73/01/07/842730107.db2.gz XEZDZFLJCSIEJQ-UMVBOHGHSA-N 0 3 365.471 -0.262 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CCOC2)C1 ZINC001103366753 842729255 /nfs/dbraw/zinc/72/92/55/842729255.db2.gz SMSLORSHWOPYAI-HSMVNMDESA-N 0 3 358.414 -0.355 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CCOC2)C1 ZINC001103366754 842730276 /nfs/dbraw/zinc/73/02/76/842730276.db2.gz SMSLORSHWOPYAI-XHBSWPGZSA-N 0 3 358.414 -0.355 20 0 FBADHN Cc1ncc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)n1C ZINC001103367858 842730217 /nfs/dbraw/zinc/73/02/17/842730217.db2.gz HTXCPAOMUMIJFH-ZYHUDNBSSA-N 0 3 350.423 -0.389 20 0 FBADHN Cc1ncc(C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)n1C ZINC001103368417 842729738 /nfs/dbraw/zinc/72/97/38/842729738.db2.gz VJPMMXFMMURSKZ-TZMCWYRMSA-N 0 3 371.507 -0.034 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccoc2CC(N)=O)C1 ZINC001103371753 842729853 /nfs/dbraw/zinc/72/98/53/842729853.db2.gz BEZTZJXLOMWNNI-VXGBXAGGSA-N 0 3 350.419 -0.259 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1c[nH]c(=O)cn1 ZINC001103377180 842731207 /nfs/dbraw/zinc/73/12/07/842731207.db2.gz BBJJXOLUJJOARE-VXGBXAGGSA-N 0 3 371.463 -0.993 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)c1c[nH]c(=O)cn1 ZINC001103377181 842731675 /nfs/dbraw/zinc/73/16/75/842731675.db2.gz BDWAJDHLCFPQRW-CHWSQXEVSA-N 0 3 370.475 -0.108 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001103381478 842731775 /nfs/dbraw/zinc/73/17/75/842731775.db2.gz JSDSRCMQPOMNDM-BNOWGMLFSA-N 0 3 351.451 -0.732 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CNC(=O)N1 ZINC001103381479 842731501 /nfs/dbraw/zinc/73/15/01/842731501.db2.gz JSDSRCMQPOMNDM-MRVWCRGKSA-N 0 3 351.451 -0.732 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CNC(=O)N1 ZINC001103381841 842731767 /nfs/dbraw/zinc/73/17/67/842731767.db2.gz UGFFUHUCKDGPQA-JHJVBQTASA-N 0 3 353.467 -0.343 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001103381842 842731178 /nfs/dbraw/zinc/73/11/78/842731178.db2.gz UGFFUHUCKDGPQA-UPJWGTAASA-N 0 3 353.467 -0.343 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001103381962 842731635 /nfs/dbraw/zinc/73/16/35/842731635.db2.gz YTCLGIZHPMSLGZ-MCIONIFRSA-N 0 3 353.467 -0.342 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001103381963 842730864 /nfs/dbraw/zinc/73/08/64/842730864.db2.gz YTCLGIZHPMSLGZ-MGPQQGTHSA-N 0 3 353.467 -0.342 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001103383745 842731389 /nfs/dbraw/zinc/73/13/89/842731389.db2.gz KRDBOIPXLUKIQP-MCIONIFRSA-N 0 3 353.467 -0.486 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001103383746 842731837 /nfs/dbraw/zinc/73/18/37/842731837.db2.gz KRDBOIPXLUKIQP-MGPQQGTHSA-N 0 3 353.467 -0.486 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CNC(=O)N1 ZINC001103384052 842730946 /nfs/dbraw/zinc/73/09/46/842730946.db2.gz UPZCHIJNIPMENJ-JHJVBQTASA-N 0 3 360.480 -0.823 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001103384053 842731053 /nfs/dbraw/zinc/73/10/53/842731053.db2.gz UPZCHIJNIPMENJ-UPJWGTAASA-N 0 3 360.480 -0.823 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCCS(N)(=O)=O)C1 ZINC001103386008 842731704 /nfs/dbraw/zinc/73/17/04/842731704.db2.gz WGOADIVJBDYMTI-CHWSQXEVSA-N 0 3 362.496 -0.735 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C1(C(N)=O)CC1 ZINC001103388244 842731728 /nfs/dbraw/zinc/73/17/28/842731728.db2.gz KPYXEDJARQMDGB-TZMCWYRMSA-N 0 3 350.463 -0.148 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)C1(C(N)=O)CC1 ZINC001103388296 842732851 /nfs/dbraw/zinc/73/28/51/842732851.db2.gz NEOWUXKRNOEXKQ-HZSPNIEDSA-N 0 3 371.503 -0.239 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)C1(C(N)=O)CC1 ZINC001103388297 842733147 /nfs/dbraw/zinc/73/31/47/842733147.db2.gz NEOWUXKRNOEXKQ-MGPQQGTHSA-N 0 3 371.503 -0.239 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)C1(C(N)=O)CC1 ZINC001103389133 842732815 /nfs/dbraw/zinc/73/28/15/842732815.db2.gz GBPRSCGFXCKKMC-CHWSQXEVSA-N 0 3 359.492 -0.239 20 0 FBADHN C[C@@H]1C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H]1CCNC(=O)C(N)=O ZINC001103389197 842732907 /nfs/dbraw/zinc/73/29/07/842732907.db2.gz JKXBDALSUANLRP-NXEZZACHSA-N 0 3 352.357 -0.386 20 0 FBADHN C[C@@H]1C[N@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H]1CCNC(=O)C(N)=O ZINC001103389197 842732902 /nfs/dbraw/zinc/73/29/02/842732902.db2.gz JKXBDALSUANLRP-NXEZZACHSA-N 0 3 352.357 -0.386 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1CCNC(=O)C(N)=O ZINC001103389201 842732663 /nfs/dbraw/zinc/73/26/63/842732663.db2.gz JNSGJHMKJHSREM-BXUZGUMPSA-N 0 3 350.463 -0.149 20 0 FBADHN C[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@H]1CCNC(=O)C(N)=O ZINC001103389452 842732522 /nfs/dbraw/zinc/73/25/22/842732522.db2.gz VKKREOONQQGUGU-GHMZBOCLSA-N 0 3 363.443 -0.185 20 0 FBADHN C[C@@H]1CN(CC(=O)NCCc2cccs2)C[C@H]1CCNC(=O)C(N)=O ZINC001103390021 842733083 /nfs/dbraw/zinc/73/30/83/842733083.db2.gz AWGIYMNPRHGHMU-CHWSQXEVSA-N 0 3 366.487 -0.034 20 0 FBADHN CC(C)CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103390115 842732491 /nfs/dbraw/zinc/73/24/91/842732491.db2.gz GGTIBZCCUPQNKL-VXGBXAGGSA-N 0 3 355.439 -0.972 20 0 FBADHN C[C@@H]1CN(CC(=O)NCCc2ccsc2)C[C@H]1CCNC(=O)C(N)=O ZINC001103390417 842732872 /nfs/dbraw/zinc/73/28/72/842732872.db2.gz UFHHORPJWXNWTL-TZMCWYRMSA-N 0 3 366.487 -0.034 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)C(N)=O ZINC001103390508 842733039 /nfs/dbraw/zinc/73/30/39/842733039.db2.gz YHFYZWRBMMMIHP-GHMZBOCLSA-N 0 3 355.439 -0.830 20 0 FBADHN C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@H]1CCNC(=O)C(N)=O ZINC001103391360 842733016 /nfs/dbraw/zinc/73/30/16/842733016.db2.gz BNTYUDPUDNKPCU-CHWSQXEVSA-N 0 3 350.419 -0.203 20 0 FBADHN CC(C)OCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391553 842733445 /nfs/dbraw/zinc/73/34/45/842733445.db2.gz LCSLEZJDLJHJHG-ZIAGYGMSSA-N 0 3 356.467 -0.523 20 0 FBADHN CCCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391603 842732795 /nfs/dbraw/zinc/73/27/95/842732795.db2.gz NVTDJLKXQJQAKU-VXGBXAGGSA-N 0 3 355.439 -0.828 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391620 842733100 /nfs/dbraw/zinc/73/31/00/842733100.db2.gz OOAGBZNKGFCTIL-GRYCIOLGSA-N 0 3 355.439 -0.831 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391621 842732683 /nfs/dbraw/zinc/73/26/83/842732683.db2.gz OOAGBZNKGFCTIL-IJLUTSLNSA-N 0 3 355.439 -0.831 20 0 FBADHN C[C@@H](C(=O)NCc1ccco1)N1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391746 842732352 /nfs/dbraw/zinc/73/23/52/842732352.db2.gz URLQBUCWSRAVMG-FRRDWIJNSA-N 0 3 350.419 -0.156 20 0 FBADHN C[C@H](C(=O)NCc1ccco1)N1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391747 842733344 /nfs/dbraw/zinc/73/33/44/842733344.db2.gz URLQBUCWSRAVMG-JHJVBQTASA-N 0 3 350.419 -0.156 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001103400916 842734968 /nfs/dbraw/zinc/73/49/68/842734968.db2.gz YLBCPWJOTCUPEJ-NXEZZACHSA-N 0 3 352.395 -0.992 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC1=CCOCC1 ZINC001103405675 842734885 /nfs/dbraw/zinc/73/48/85/842734885.db2.gz TYXUNYNQDZDAFU-TZMCWYRMSA-N 0 3 352.435 -0.008 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]cc2F)C1 ZINC001103411310 842734858 /nfs/dbraw/zinc/73/48/58/842734858.db2.gz WQEJUBBLTIVAEJ-NXEZZACHSA-N 0 3 354.386 -0.308 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1n[nH]cc1F ZINC001103412222 842734239 /nfs/dbraw/zinc/73/42/39/842734239.db2.gz LOOUQMULIRYPAC-GHMZBOCLSA-N 0 3 361.443 -0.214 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](COC)OC)C1 ZINC001103413818 842734834 /nfs/dbraw/zinc/73/48/34/842734834.db2.gz TZODCLLZNXOWOH-JHJVBQTASA-N 0 3 358.439 -0.822 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](COC)OC)C1 ZINC001103413819 842734035 /nfs/dbraw/zinc/73/40/35/842734035.db2.gz TZODCLLZNXOWOH-UPJWGTAASA-N 0 3 358.439 -0.822 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]cc2F)C1 ZINC001103414004 842734598 /nfs/dbraw/zinc/73/45/98/842734598.db2.gz ZWCFRLMPQGNIMP-KXUCPTDWSA-N 0 3 354.386 -0.180 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]cc2F)C1 ZINC001103414005 842734434 /nfs/dbraw/zinc/73/44/34/842734434.db2.gz ZWCFRLMPQGNIMP-OPRDCNLKSA-N 0 3 354.386 -0.180 20 0 FBADHN COC[C@H](OC)C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103414422 842734781 /nfs/dbraw/zinc/73/47/81/842734781.db2.gz KGHOYEIZBFWENE-MCIONIFRSA-N 0 3 365.496 -0.729 20 0 FBADHN COC[C@@H](OC)C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103414423 842734341 /nfs/dbraw/zinc/73/43/41/842734341.db2.gz KGHOYEIZBFWENE-MGPQQGTHSA-N 0 3 365.496 -0.729 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@]1(C)CCNC1=O ZINC001103430287 842735099 /nfs/dbraw/zinc/73/50/99/842735099.db2.gz GGQFESVNQJGYMT-SNUQEOBHSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@]1(C)CCNC1=O ZINC001103430288 842734006 /nfs/dbraw/zinc/73/40/06/842734006.db2.gz GGQFESVNQJGYMT-VFVRVIDISA-N 0 3 350.463 -0.135 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001103431519 842735273 /nfs/dbraw/zinc/73/52/73/842735273.db2.gz GUEHPWZUHMGFPQ-YIYPIFLZSA-N 0 3 354.451 -0.770 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001103431668 842735157 /nfs/dbraw/zinc/73/51/57/842735157.db2.gz PHVZAYRRTJKJHU-SYQHCUMBSA-N 0 3 354.451 -0.818 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001103439621 842734171 /nfs/dbraw/zinc/73/41/71/842734171.db2.gz LMBCZZACLSZXES-SYQHCUMBSA-N 0 3 374.507 -0.879 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001103439679 842734555 /nfs/dbraw/zinc/73/45/55/842734555.db2.gz ONDPRDVWPJKSLZ-SYQHCUMBSA-N 0 3 359.492 -0.383 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001103439876 842734931 /nfs/dbraw/zinc/73/49/31/842734931.db2.gz ZRZGRSPYPYMYNH-TUVASFSCSA-N 0 3 352.479 -0.046 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001103440749 842737059 /nfs/dbraw/zinc/73/70/59/842737059.db2.gz WESCFLJWHAFAFQ-APIJFGDWSA-N 0 3 352.479 -0.079 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001103442001 842736437 /nfs/dbraw/zinc/73/64/37/842736437.db2.gz XYXQWFFTRFYHQR-NGFQHRJXSA-N 0 3 350.463 -0.292 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCc2cnn(C)n2)C1 ZINC001103442711 842736499 /nfs/dbraw/zinc/73/64/99/842736499.db2.gz FDNXALAQBNOFOL-ZIAGYGMSSA-N 0 3 350.467 -0.042 20 0 FBADHN Cc1nc(C)c(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)[nH]1 ZINC001103445774 842736999 /nfs/dbraw/zinc/73/69/99/842736999.db2.gz HBBRPXFVZFRLNY-BXKDBHETSA-N 0 3 350.423 -0.091 20 0 FBADHN Cc1ccn(CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)n1 ZINC001103446977 842736882 /nfs/dbraw/zinc/73/68/82/842736882.db2.gz GDIXGRPCLBMPFZ-DGCLKSJQSA-N 0 3 350.423 -0.539 20 0 FBADHN Cc1ccn(CC(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)n1 ZINC001103447184 842736793 /nfs/dbraw/zinc/73/67/93/842736793.db2.gz PVOVVLGGSSJMTD-UKRRQHHQSA-N 0 3 371.507 -0.185 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001103449443 842736625 /nfs/dbraw/zinc/73/66/25/842736625.db2.gz NOLVNCNBWXYPMT-BHPKHCPMSA-N 0 3 354.451 -0.059 20 0 FBADHN C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1c[nH]nn1 ZINC001103450547 842736852 /nfs/dbraw/zinc/73/68/52/842736852.db2.gz VSSPEECQKSMRFP-CHWSQXEVSA-N 0 3 357.480 -0.144 20 0 FBADHN C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1cn[nH]n1 ZINC001103450547 842736848 /nfs/dbraw/zinc/73/68/48/842736848.db2.gz VSSPEECQKSMRFP-CHWSQXEVSA-N 0 3 357.480 -0.144 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001103456055 842736747 /nfs/dbraw/zinc/73/67/47/842736747.db2.gz GKWOGSWGPFATBV-KSTCHIGDSA-N 0 3 352.435 -0.177 20 0 FBADHN CC[C@@H](NC(C)=O)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103460156 842735812 /nfs/dbraw/zinc/73/58/12/842735812.db2.gz APXDUVQMZZEPTR-RAIGVLPGSA-N 0 3 355.439 -0.830 20 0 FBADHN CC[C@H](NC(C)=O)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103460157 842736484 /nfs/dbraw/zinc/73/64/84/842736484.db2.gz APXDUVQMZZEPTR-RTXFEEFZSA-N 0 3 355.439 -0.830 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1ccnnc1 ZINC001103466759 842736567 /nfs/dbraw/zinc/73/65/67/842736567.db2.gz WNJXIDUVHZBKBY-TZMCWYRMSA-N 0 3 355.464 -0.286 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001103470904 842735852 /nfs/dbraw/zinc/73/58/52/842735852.db2.gz MOQUXRWPHOVHOL-FRRDWIJNSA-N 0 3 362.496 -0.866 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001103470905 842736454 /nfs/dbraw/zinc/73/64/54/842736454.db2.gz MOQUXRWPHOVHOL-JHJVBQTASA-N 0 3 362.496 -0.866 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001103471042 842736411 /nfs/dbraw/zinc/73/64/11/842736411.db2.gz SPAMNMCFIMQQIQ-HZSPNIEDSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001103471043 842736105 /nfs/dbraw/zinc/73/61/05/842736105.db2.gz SPAMNMCFIMQQIQ-MGPQQGTHSA-N 0 3 371.507 -0.068 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001103472175 842737742 /nfs/dbraw/zinc/73/77/42/842737742.db2.gz GVLYCRRDJLSJFZ-VXGBXAGGSA-N 0 3 350.423 -0.518 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001103473464 842738290 /nfs/dbraw/zinc/73/82/90/842738290.db2.gz APAPRCGSLGXUHS-ZIAGYGMSSA-N 0 3 371.507 -0.034 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1c[nH]cn1 ZINC001103473490 842738203 /nfs/dbraw/zinc/73/82/03/842738203.db2.gz CCYVLQIDOAPEFK-CHWSQXEVSA-N 0 3 357.480 -0.424 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001103473851 842737858 /nfs/dbraw/zinc/73/78/58/842737858.db2.gz WACBPDGKYQQMTJ-GRYCIOLGSA-N 0 3 350.423 -0.390 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001103473852 842738355 /nfs/dbraw/zinc/73/83/55/842738355.db2.gz WACBPDGKYQQMTJ-IJLUTSLNSA-N 0 3 350.423 -0.390 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)Cn1cc(Cl)cn1 ZINC001103478505 842738082 /nfs/dbraw/zinc/73/80/82/842738082.db2.gz IVDIHDFXMXMXMM-GHMZBOCLSA-N 0 3 370.841 -0.194 20 0 FBADHN Cc1ccnn1CC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103478831 842738154 /nfs/dbraw/zinc/73/81/54/842738154.db2.gz YTNQKNDRHBNOMC-DGCLKSJQSA-N 0 3 350.423 -0.539 20 0 FBADHN Cc1ccnn1CC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103480891 842737608 /nfs/dbraw/zinc/73/76/08/842737608.db2.gz YSMWBCFJBHXHHU-UKRRQHHQSA-N 0 3 371.507 -0.185 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103486218 842738567 /nfs/dbraw/zinc/73/85/67/842738567.db2.gz HYNMEKYGLGRLGV-CHWSQXEVSA-N 0 3 362.496 -0.783 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1ccc(S(C)(=O)=O)o1 ZINC001103486736 842738045 /nfs/dbraw/zinc/73/80/45/842738045.db2.gz VNHUHPWKSZSAAO-GHMZBOCLSA-N 0 3 357.432 -0.144 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001103488958 842738434 /nfs/dbraw/zinc/73/84/34/842738434.db2.gz AZUMUIZSVNHBMU-TZMCWYRMSA-N 0 3 359.492 -0.369 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001103489016 842737791 /nfs/dbraw/zinc/73/77/91/842737791.db2.gz COEWILACIMKWNG-ZIAGYGMSSA-N 0 3 364.508 -0.107 20 0 FBADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001103489753 842738013 /nfs/dbraw/zinc/73/80/13/842738013.db2.gz POIVLSDQNDLPNM-MCIONIFRSA-N 0 3 364.508 -0.109 20 0 FBADHN COC[C@H](O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001103489754 842738538 /nfs/dbraw/zinc/73/85/38/842738538.db2.gz POIVLSDQNDLPNM-MGPQQGTHSA-N 0 3 364.508 -0.109 20 0 FBADHN COCCO[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103490558 842737923 /nfs/dbraw/zinc/73/79/23/842737923.db2.gz NNBRXAZFGBHCHZ-FRRDWIJNSA-N 0 3 358.439 -0.693 20 0 FBADHN COCCO[C@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103490559 842738518 /nfs/dbraw/zinc/73/85/18/842738518.db2.gz NNBRXAZFGBHCHZ-JHJVBQTASA-N 0 3 358.439 -0.693 20 0 FBADHN C[C@@H]1CN(CCF)C[C@H]1CCNC(=O)Cn1ncn2nccc2c1=O ZINC001103490784 842738375 /nfs/dbraw/zinc/73/83/75/842738375.db2.gz WHHIWWMUHQABRA-CHWSQXEVSA-N 0 3 350.398 -0.065 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001103492372 842739516 /nfs/dbraw/zinc/73/95/16/842739516.db2.gz VEKHJRZJVYXQAN-CHWSQXEVSA-N 0 3 355.483 -0.096 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C1(NC(N)=O)CCCCC1 ZINC001103494304 842739888 /nfs/dbraw/zinc/73/98/88/842739888.db2.gz VWTVTORTGSZHMO-CHWSQXEVSA-N 0 3 353.467 -0.083 20 0 FBADHN CCn1ccc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)n1 ZINC001103495801 842739264 /nfs/dbraw/zinc/73/92/64/842739264.db2.gz URLGIGPTUDCPHZ-VXGBXAGGSA-N 0 3 350.423 -0.214 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)Cc1cscn1 ZINC001103501152 842739433 /nfs/dbraw/zinc/73/94/33/842739433.db2.gz CIHNZRZTPMVYQQ-GHMZBOCLSA-N 0 3 353.448 -0.045 20 0 FBADHN COCC(=O)N[C@H](C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C)C(C)C ZINC001103504784 842740333 /nfs/dbraw/zinc/74/03/33/842740333.db2.gz LTOOBXDYOMXHCY-IOASZLSFSA-N 0 3 356.467 -0.667 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001103506413 842739533 /nfs/dbraw/zinc/73/95/33/842739533.db2.gz XJEVCJXGCVLNQK-YUELXQCFSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CC(=O)N(C)C)C1 ZINC001103507606 842739628 /nfs/dbraw/zinc/73/96/28/842739628.db2.gz DKDZRRMRQWXDHX-GRYCIOLGSA-N 0 3 355.439 -0.878 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CC(=O)N(C)C)C1 ZINC001103507607 842740416 /nfs/dbraw/zinc/74/04/16/842740416.db2.gz DKDZRRMRQWXDHX-IJLUTSLNSA-N 0 3 355.439 -0.878 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CC(=O)N(C)C ZINC001103507833 842739859 /nfs/dbraw/zinc/73/98/59/842739859.db2.gz OBRITMQEDALHGJ-ZIAGYGMSSA-N 0 3 361.508 -0.026 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CC(=O)N(C)C ZINC001103507970 842740397 /nfs/dbraw/zinc/74/03/97/842740397.db2.gz VSVVUGXTYHLPQS-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001103509318 842739551 /nfs/dbraw/zinc/73/95/51/842739551.db2.gz UNNYUCZAQMDXBU-VXGBXAGGSA-N 0 3 362.496 -0.866 20 0 FBADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103509637 842739499 /nfs/dbraw/zinc/73/94/99/842739499.db2.gz AVZAQIQCMZPQPE-BZPMIXESSA-N 0 3 362.496 -0.880 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2nnnc2C(C)C)C1 ZINC001103511649 842739666 /nfs/dbraw/zinc/73/96/66/842739666.db2.gz FSCBNHMACHZAEE-CHWSQXEVSA-N 0 3 351.455 -0.383 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCc1cn[nH]c1 ZINC001103512765 842739813 /nfs/dbraw/zinc/73/98/13/842739813.db2.gz AGHBICDEVCNXAC-DGCLKSJQSA-N 0 3 350.423 -0.389 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1cn[nH]c1 ZINC001103513911 842739608 /nfs/dbraw/zinc/73/96/08/842739608.db2.gz ZLTHKKGSQHSKNX-UKRRQHHQSA-N 0 3 371.507 -0.034 20 0 FBADHN Cc1c[nH]c(C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)n1 ZINC001103515217 842739443 /nfs/dbraw/zinc/73/94/43/842739443.db2.gz QGUIHEJRJOKCGG-DGCLKSJQSA-N 0 3 357.480 -0.045 20 0 FBADHN Cc1c[nH]c(C(=O)NCC[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2C)n1 ZINC001103515629 842739463 /nfs/dbraw/zinc/73/94/63/842739463.db2.gz ZLZYMQCVYCBDEW-ADEWGFFLSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1c[nH]c(C(=O)NCC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)n1 ZINC001103515630 842740307 /nfs/dbraw/zinc/74/03/07/842740307.db2.gz ZLZYMQCVYCBDEW-YUSALJHKSA-N 0 3 350.423 -0.011 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nc(C)c[nH]2)C1 ZINC001103515640 842739835 /nfs/dbraw/zinc/73/98/35/842739835.db2.gz ZUDHAOGXSMHVEB-ZYHUDNBSSA-N 0 3 350.423 -0.138 20 0 FBADHN CNC(=O)C1(C(=O)NCC[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2C)CC1 ZINC001103528340 842739573 /nfs/dbraw/zinc/73/95/73/842739573.db2.gz GQDYMJLZZRTIBI-CHWSQXEVSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1cnn(C)n1 ZINC001103531269 842741562 /nfs/dbraw/zinc/74/15/62/842741562.db2.gz LXKLMXPUIYQLRN-HZSPNIEDSA-N 0 3 369.491 -0.062 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)c1cnn(C)n1 ZINC001103531270 842741172 /nfs/dbraw/zinc/74/11/72/842741172.db2.gz LXKLMXPUIYQLRN-MGPQQGTHSA-N 0 3 369.491 -0.062 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001103532756 842741348 /nfs/dbraw/zinc/74/13/48/842741348.db2.gz PFKCPXGYCCHLGW-VXGBXAGGSA-N 0 3 352.435 -0.751 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)n2)C1 ZINC001103532772 842740705 /nfs/dbraw/zinc/74/07/05/842740705.db2.gz QHLIWKSDWHXOFX-GMTAPVOTSA-N 0 3 351.411 -0.914 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)n2)C1 ZINC001103532773 842741650 /nfs/dbraw/zinc/74/16/50/842741650.db2.gz QHLIWKSDWHXOFX-OUAUKWLOSA-N 0 3 351.411 -0.914 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnn(C)n1 ZINC001103532858 842741681 /nfs/dbraw/zinc/74/16/81/842741681.db2.gz VELKJXRSQYNZLX-CHWSQXEVSA-N 0 3 357.480 -0.062 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cnn(C)n1 ZINC001103532942 842741699 /nfs/dbraw/zinc/74/16/99/842741699.db2.gz ZCYPQCNAVVBQDV-VXGBXAGGSA-N 0 3 358.468 -0.948 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCN2CCOCC2)C1 ZINC001103536985 842741896 /nfs/dbraw/zinc/74/18/96/842741896.db2.gz LYOSDQTXGHEHPD-HZPDHXFCSA-N 0 3 354.495 -0.081 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCOCC2)C1 ZINC001103537207 842741326 /nfs/dbraw/zinc/74/13/26/842741326.db2.gz ZFIHOLTWQKPYBG-HUUCEWRRSA-N 0 3 354.495 -0.083 20 0 FBADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103539955 842741665 /nfs/dbraw/zinc/74/16/65/842741665.db2.gz QIIFYOYFFWBRDA-ZYHUDNBSSA-N 0 3 355.439 -0.830 20 0 FBADHN Cc1n[nH]c(C)c1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103542356 842741475 /nfs/dbraw/zinc/74/14/75/842741475.db2.gz LEFKWQOJOPGLEH-BXKDBHETSA-N 0 3 350.423 -0.091 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CNC(=O)C1CCOCC1 ZINC001103546669 842744035 /nfs/dbraw/zinc/74/40/35/842744035.db2.gz GZUKMPKVFBIYJF-TZMCWYRMSA-N 0 3 354.451 -0.911 20 0 FBADHN C[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1CCNC(=O)c1ncn[nH]1 ZINC001103549835 842743756 /nfs/dbraw/zinc/74/37/56/842743756.db2.gz LUYBBQGRHNKXBO-NXEZZACHSA-N 0 3 364.435 -0.017 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1ccncn1 ZINC001103553420 842742563 /nfs/dbraw/zinc/74/25/63/842742563.db2.gz ZKABZMAXIHCBLJ-CHWSQXEVSA-N 0 3 355.464 -0.286 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)c1cnon1 ZINC001103555297 842743445 /nfs/dbraw/zinc/74/34/45/842743445.db2.gz PASFDIPYRIGQJR-CHWSQXEVSA-N 0 3 351.407 -0.384 20 0 FBADHN CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 ZINC001103555464 842743359 /nfs/dbraw/zinc/74/33/59/842743359.db2.gz UEJPPFZSUGKHDX-CHWSQXEVSA-N 0 3 353.423 -0.090 20 0 FBADHN COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 ZINC001103555474 842743347 /nfs/dbraw/zinc/74/33/47/842743347.db2.gz UHIFNZYSYFYHIX-CHWSQXEVSA-N 0 3 353.423 -0.090 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 ZINC001103555574 842743099 /nfs/dbraw/zinc/74/30/99/842743099.db2.gz XOEPAHPTYKGKND-GHMZBOCLSA-N 0 3 352.395 -0.397 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 ZINC001103556509 842743558 /nfs/dbraw/zinc/74/35/58/842743558.db2.gz HMMJGIIAMSQAAY-GMTAPVOTSA-N 0 3 352.395 -0.399 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 ZINC001103556510 842742963 /nfs/dbraw/zinc/74/29/63/842742963.db2.gz HMMJGIIAMSQAAY-OUAUKWLOSA-N 0 3 352.395 -0.399 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 ZINC001103556827 842743974 /nfs/dbraw/zinc/74/39/74/842743974.db2.gz YXMWPJWYVQWARQ-VXGBXAGGSA-N 0 3 359.452 -0.303 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1ncccn1 ZINC001103561629 842742651 /nfs/dbraw/zinc/74/26/51/842742651.db2.gz WASLJNHKXBJHOQ-CHWSQXEVSA-N 0 3 355.464 -0.286 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1cccnn1 ZINC001103565121 842742479 /nfs/dbraw/zinc/74/24/79/842742479.db2.gz FRRXJYMNQDBHFS-CHWSQXEVSA-N 0 3 355.464 -0.286 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103568235 842743420 /nfs/dbraw/zinc/74/34/20/842743420.db2.gz MPWBMDKWKKZBCP-MWLCHTKSSA-N 0 3 351.407 -0.702 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCn2cnnn2)C1 ZINC001103569493 842743434 /nfs/dbraw/zinc/74/34/34/842743434.db2.gz MGUVDWGGUGIHCR-ZIAGYGMSSA-N 0 3 351.455 -0.338 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCn2cnnn2)C1 ZINC001103569622 842742758 /nfs/dbraw/zinc/74/27/58/842742758.db2.gz SINZEBXZBRURMT-ZIAGYGMSSA-N 0 3 351.455 -0.336 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001103574307 842743303 /nfs/dbraw/zinc/74/33/03/842743303.db2.gz JVATWWGWFBGHEJ-VXGBXAGGSA-N 0 3 350.423 -0.518 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001103574487 842743997 /nfs/dbraw/zinc/74/39/97/842743997.db2.gz SAMNFNGJHQCAEL-ZIAGYGMSSA-N 0 3 371.507 -0.034 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1ncc[nH]1 ZINC001103574535 842743597 /nfs/dbraw/zinc/74/35/97/842743597.db2.gz VTWKAIQATKMHDX-CHWSQXEVSA-N 0 3 357.480 -0.424 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001103575742 842742510 /nfs/dbraw/zinc/74/25/10/842742510.db2.gz CVMTYBARBOKMIG-GRYCIOLGSA-N 0 3 350.423 -0.390 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001103575743 842743163 /nfs/dbraw/zinc/74/31/63/842743163.db2.gz CVMTYBARBOKMIG-IJLUTSLNSA-N 0 3 350.423 -0.390 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]2(C)CCOC2)C1 ZINC001103577619 842744016 /nfs/dbraw/zinc/74/40/16/842744016.db2.gz ODLOUPYGEVEUSN-PBFPGSCMSA-N 0 3 354.451 -0.057 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(C)CCOC2)C1 ZINC001103577620 842742868 /nfs/dbraw/zinc/74/28/68/842742868.db2.gz ODLOUPYGEVEUSN-XNJGSVPQSA-N 0 3 354.451 -0.057 20 0 FBADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C(=O)NCC1CC1 ZINC001103581211 842744545 /nfs/dbraw/zinc/74/45/45/842744545.db2.gz BREPOGATRSOJMF-TZMCWYRMSA-N 0 3 350.463 -0.135 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(=O)NCC(F)(F)F)C1 ZINC001103581601 842744725 /nfs/dbraw/zinc/74/47/25/842744725.db2.gz NNBKUIYLOOGVAF-NXEZZACHSA-N 0 3 352.357 -0.515 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(=O)NCC(F)(F)F)C1 ZINC001103582645 842745361 /nfs/dbraw/zinc/74/53/61/842745361.db2.gz DDTXXQIHLPZDJZ-GHMZBOCLSA-N 0 3 366.384 -0.125 20 0 FBADHN CCn1cc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)nn1 ZINC001103585743 842744687 /nfs/dbraw/zinc/74/46/87/842744687.db2.gz SELHRLKWKJJQFG-GHMZBOCLSA-N 0 3 351.411 -0.819 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001103587041 842744993 /nfs/dbraw/zinc/74/49/93/842744993.db2.gz CCGCHVFUQDNLAE-GHMZBOCLSA-N 0 3 366.384 -0.125 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC(=O)NCC(F)(F)F ZINC001103587365 842744867 /nfs/dbraw/zinc/74/48/67/842744867.db2.gz RQGIEBJYARUYJA-NXEZZACHSA-N 0 3 352.357 -0.386 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C1(N2CCOCC2)CCC1 ZINC001103592004 842745050 /nfs/dbraw/zinc/74/50/50/842745050.db2.gz VWNNHMXXIHAOLQ-HUUCEWRRSA-N 0 3 352.479 -0.199 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCc2ncnn2C)C1 ZINC001103593656 842744983 /nfs/dbraw/zinc/74/49/83/842744983.db2.gz JMIDRBZRKRCOBJ-CHWSQXEVSA-N 0 3 352.439 -0.848 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCc2nncn2C)C1 ZINC001103593880 842744457 /nfs/dbraw/zinc/74/44/57/842744457.db2.gz QXGABRCIRWRTQE-CHWSQXEVSA-N 0 3 352.439 -0.848 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001103594061 842745236 /nfs/dbraw/zinc/74/52/36/842745236.db2.gz XAUPRGJBXFCYRX-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN Cc1nonc1CC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103594149 842745262 /nfs/dbraw/zinc/74/52/62/842745262.db2.gz BOVFSBZNNCPOTB-MWLCHTKSSA-N 0 3 352.395 -0.810 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)c2cscn2)C1 ZINC001103620712 842744954 /nfs/dbraw/zinc/74/49/54/842744954.db2.gz JQJLPUKOCQTRGY-VXGBXAGGSA-N 0 3 367.475 -0.307 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CNC(=O)c1cscn1 ZINC001103621022 842744590 /nfs/dbraw/zinc/74/45/90/842744590.db2.gz RYRDKUZALDGNGQ-GHMZBOCLSA-N 0 3 353.448 -0.568 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001103621079 842744910 /nfs/dbraw/zinc/74/49/10/842744910.db2.gz VHFZWFXGVPFHST-HZSPNIEDSA-N 0 3 359.492 -0.239 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001103621080 842744800 /nfs/dbraw/zinc/74/48/00/842744800.db2.gz VHFZWFXGVPFHST-MGPQQGTHSA-N 0 3 359.492 -0.239 20 0 FBADHN COCCCOCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103623259 842746008 /nfs/dbraw/zinc/74/60/08/842746008.db2.gz TUZZCVDWOMLNBH-CHWSQXEVSA-N 0 3 358.439 -0.691 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001103623361 842747241 /nfs/dbraw/zinc/74/72/41/842747241.db2.gz ZNXCXACVGBXNCC-JHJVBQTASA-N 0 3 350.423 -0.587 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001103623362 842747112 /nfs/dbraw/zinc/74/71/12/842747112.db2.gz ZNXCXACVGBXNCC-UPJWGTAASA-N 0 3 350.423 -0.587 20 0 FBADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103623968 842747187 /nfs/dbraw/zinc/74/71/87/842747187.db2.gz BGTVZVHKUXOHJE-FRRDWIJNSA-N 0 3 355.418 -0.779 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCCCC(N)=O ZINC001103626274 842747030 /nfs/dbraw/zinc/74/70/30/842747030.db2.gz LIRZNIHRRMKFOF-VXGBXAGGSA-N 0 3 355.439 -0.699 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1nc[nH]n1 ZINC001103628427 842746222 /nfs/dbraw/zinc/74/62/22/842746222.db2.gz PLDDZARNSVMOON-CHWSQXEVSA-N 0 3 357.480 -0.144 20 0 FBADHN C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nnc[n-]2)C1 ZINC001103629507 842746428 /nfs/dbraw/zinc/74/64/28/842746428.db2.gz OWXRDVLGYNHAOK-GMTAPVOTSA-N 0 3 351.411 -0.995 20 0 FBADHN C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nnc[n-]2)C1 ZINC001103629507 842746422 /nfs/dbraw/zinc/74/64/22/842746422.db2.gz OWXRDVLGYNHAOK-GMTAPVOTSA-N 0 3 351.411 -0.995 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nnc[n-]2)C1 ZINC001103629508 842746286 /nfs/dbraw/zinc/74/62/86/842746286.db2.gz OWXRDVLGYNHAOK-OUAUKWLOSA-N 0 3 351.411 -0.995 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nnc[n-]2)C1 ZINC001103629508 842746281 /nfs/dbraw/zinc/74/62/81/842746281.db2.gz OWXRDVLGYNHAOK-OUAUKWLOSA-N 0 3 351.411 -0.995 20 0 FBADHN CCc1noc(COCC(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)n1 ZINC001103630426 842746099 /nfs/dbraw/zinc/74/60/99/842746099.db2.gz PNZXYENIPDBEAN-VXGBXAGGSA-N 0 3 353.423 -0.292 20 0 FBADHN COCCCNC(=O)CCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103630572 842746503 /nfs/dbraw/zinc/74/65/03/842746503.db2.gz WYMRAXNFOLHYSI-ZIAGYGMSSA-N 0 3 356.467 -0.521 20 0 FBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103631159 842746593 /nfs/dbraw/zinc/74/65/93/842746593.db2.gz BGTVZVHKUXOHJE-JHJVBQTASA-N 0 3 355.418 -0.779 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001103631184 842746048 /nfs/dbraw/zinc/74/60/48/842746048.db2.gz CIPUZLVYGLXWDN-MCIONIFRSA-N 0 3 353.467 -0.260 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001103631185 842746188 /nfs/dbraw/zinc/74/61/88/842746188.db2.gz CIPUZLVYGLXWDN-MGPQQGTHSA-N 0 3 353.467 -0.260 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cn(C)nc1Cl ZINC001103635492 842746571 /nfs/dbraw/zinc/74/65/71/842746571.db2.gz RHLFAPYCOUCDGZ-NXEZZACHSA-N 0 3 370.841 -0.044 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001103640894 842746883 /nfs/dbraw/zinc/74/68/83/842746883.db2.gz RMEWGJFJEJEDNE-BZPMIXESSA-N 0 3 355.483 -0.110 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001103640895 842746756 /nfs/dbraw/zinc/74/67/56/842746756.db2.gz RMEWGJFJEJEDNE-YRGRVCCFSA-N 0 3 355.483 -0.110 20 0 FBADHN C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642177 842747575 /nfs/dbraw/zinc/74/75/75/842747575.db2.gz SVADPKSYIPAGFM-CHWSQXEVSA-N 0 3 354.455 -0.337 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)Cc1cncn1C ZINC001103643945 842747912 /nfs/dbraw/zinc/74/79/12/842747912.db2.gz YJUHEZUAYUBLGM-VXGBXAGGSA-N 0 3 350.423 -0.768 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1cncn1C ZINC001103644847 842748337 /nfs/dbraw/zinc/74/83/37/842748337.db2.gz TYEQICSVVZKTST-ZIAGYGMSSA-N 0 3 371.507 -0.414 20 0 FBADHN CCn1cnc(C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)c1 ZINC001103647836 842747841 /nfs/dbraw/zinc/74/78/41/842747841.db2.gz GFGXLAKWQAUGEU-VXGBXAGGSA-N 0 3 350.423 -0.214 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001103657954 842748588 /nfs/dbraw/zinc/74/85/88/842748588.db2.gz LYRBOGJQBASTQF-MCIONIFRSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001103657978 842748792 /nfs/dbraw/zinc/74/87/92/842748792.db2.gz NIPWGQPSUUDZTA-YUELXQCFSA-N 0 3 350.463 -0.135 20 0 FBADHN Cc1nc[nH]c1CC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103676935 842748182 /nfs/dbraw/zinc/74/81/82/842748182.db2.gz BTCULMPJPHGOBG-ZYHUDNBSSA-N 0 3 350.423 -0.470 20 0 FBADHN Cc1nc[nH]c1CC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103676937 842748064 /nfs/dbraw/zinc/74/80/64/842748064.db2.gz BULCSVQRQQMZQP-TZMCWYRMSA-N 0 3 371.507 -0.116 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001103678525 842748303 /nfs/dbraw/zinc/74/83/03/842748303.db2.gz WAGOMHBELXGOTM-JMSVASOKSA-N 0 3 360.480 -0.982 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001103678526 842748139 /nfs/dbraw/zinc/74/81/39/842748139.db2.gz WAGOMHBELXGOTM-LALPHHSUSA-N 0 3 360.480 -0.982 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103679339 842747653 /nfs/dbraw/zinc/74/76/53/842747653.db2.gz PSKRHKWBAXLXBY-CHWSQXEVSA-N 0 3 362.496 -0.735 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CCOC)c2)C1 ZINC001103682613 842749692 /nfs/dbraw/zinc/74/96/92/842749692.db2.gz JTXMWBIMIDNUHR-ZIAGYGMSSA-N 0 3 351.451 -0.037 20 0 FBADHN CCc1nc[nH]c1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103684358 842749977 /nfs/dbraw/zinc/74/99/77/842749977.db2.gz DQQXDVQHXAHJGQ-GHMZBOCLSA-N 0 3 350.423 -0.145 20 0 FBADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CCNC(=O)CS(=O)(=O)N(C)C ZINC001103684588 842749640 /nfs/dbraw/zinc/74/96/40/842749640.db2.gz OVOYWVLCGCHKJA-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001103684692 842750143 /nfs/dbraw/zinc/75/01/43/842750143.db2.gz UEOYMWRJPRXBBV-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001103687067 842750179 /nfs/dbraw/zinc/75/01/79/842750179.db2.gz IIPWURIXUZXSGJ-BPLDGKMQSA-N 0 3 354.451 -0.946 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001103687068 842749527 /nfs/dbraw/zinc/74/95/27/842749527.db2.gz IIPWURIXUZXSGJ-YUELXQCFSA-N 0 3 354.451 -0.946 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)c2ccco2)C1 ZINC001103695940 842749661 /nfs/dbraw/zinc/74/96/61/842749661.db2.gz ZDHWLFXZCOFWLQ-CHWSQXEVSA-N 0 3 350.419 -0.170 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCC(=O)N1CCOCC1 ZINC001103697828 842749616 /nfs/dbraw/zinc/74/96/16/842749616.db2.gz QSOJIJWAPRTDCT-ZIAGYGMSSA-N 0 3 354.451 -0.815 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCNC(=O)c1ccco1 ZINC001103701946 842749740 /nfs/dbraw/zinc/74/97/40/842749740.db2.gz KPOOVIHZWMKBIA-CHWSQXEVSA-N 0 3 350.419 -0.041 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cncn1 ZINC001103702983 842750358 /nfs/dbraw/zinc/75/03/58/842750358.db2.gz JTEPVEPPBGWVJK-QLFBSQMISA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cncn1 ZINC001103702984 842750058 /nfs/dbraw/zinc/75/00/58/842750058.db2.gz JTEPVEPPBGWVJK-RBSFLKMASA-N 0 3 369.491 -0.213 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1cncn1 ZINC001103703095 842750006 /nfs/dbraw/zinc/75/00/06/842750006.db2.gz QDZGUXGOIRUEDW-ZIAGYGMSSA-N 0 3 357.480 -0.213 20 0 FBADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCNC(N)=O ZINC001103705564 842751511 /nfs/dbraw/zinc/75/15/11/842751511.db2.gz AYBRTYSXSAXYOY-TZMCWYRMSA-N 0 3 353.467 -0.355 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001103705695 842751215 /nfs/dbraw/zinc/75/12/15/842751215.db2.gz HQKGLYNADCJILC-ZIAGYGMSSA-N 0 3 355.483 -0.109 20 0 FBADHN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCNC(N)=O ZINC001103705833 842750981 /nfs/dbraw/zinc/75/09/81/842750981.db2.gz NZBFCKCOHRRUTR-CHWSQXEVSA-N 0 3 362.496 -0.446 20 0 FBADHN CCn1nncc1CN1C[C@@H](C)[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001103705875 842751161 /nfs/dbraw/zinc/75/11/61/842751161.db2.gz QCLBXHLIVFAPGN-CHWSQXEVSA-N 0 3 351.455 -0.069 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CN2C(=O)CCC2=O)C1 ZINC001103706589 842751293 /nfs/dbraw/zinc/75/12/93/842751293.db2.gz BPGZCPATYQVJKQ-CHWSQXEVSA-N 0 3 352.435 -0.654 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001103707588 842751609 /nfs/dbraw/zinc/75/16/09/842751609.db2.gz FHRNZOPBUKLLCA-TZMCWYRMSA-N 0 3 353.467 -0.403 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(=O)Nc2cc(C)on2)C1 ZINC001103716856 842751678 /nfs/dbraw/zinc/75/16/78/842751678.db2.gz NGFZDKPYIIKLAI-ZYHUDNBSSA-N 0 3 351.407 -0.258 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)c1ccn(C)n1 ZINC001103720145 842752397 /nfs/dbraw/zinc/75/23/97/842752397.db2.gz JPPNSHHTMFBGGK-CHWSQXEVSA-N 0 3 357.480 -0.343 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccn(C)n2)C1 ZINC001103720442 842753222 /nfs/dbraw/zinc/75/32/22/842753222.db2.gz WOGTVPHZOWDOSW-VXGBXAGGSA-N 0 3 350.423 -0.437 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccn(C)n2)C1 ZINC001103722270 842753370 /nfs/dbraw/zinc/75/33/70/842753370.db2.gz FAWMUZUPQFFYLV-GRYCIOLGSA-N 0 3 350.423 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ZINC001103730538 842754593 /nfs/dbraw/zinc/75/45/93/842754593.db2.gz VSSJJMUUAKGLFQ-RAIGVLPGSA-N 0 3 370.479 -0.621 20 0 FBADHN Cc1nc(CN2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCS(=O)(=O)N3)C2)n[nH]1 ZINC001103730539 842755155 /nfs/dbraw/zinc/75/51/55/842755155.db2.gz VSSJJMUUAKGLFQ-RTXFEEFZSA-N 0 3 370.479 -0.621 20 0 FBADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001103730548 842755129 /nfs/dbraw/zinc/75/51/29/842755129.db2.gz WHXJOTIYMRZRRV-NFAWXSAZSA-N 0 3 369.491 -0.314 20 0 FBADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001103730549 842754360 /nfs/dbraw/zinc/75/43/60/842754360.db2.gz WHXJOTIYMRZRRV-UMVBOHGHSA-N 0 3 369.491 -0.314 20 0 FBADHN CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1C ZINC001103731520 842755249 /nfs/dbraw/zinc/75/52/49/842755249.db2.gz KRKBRCUBMZKKPL-ZYHUDNBSSA-N 0 3 358.468 -0.763 20 0 FBADHN CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001103731540 842754803 /nfs/dbraw/zinc/75/48/03/842754803.db2.gz LDDJCBAQKJFSIJ-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1C ZINC001103731722 842754210 /nfs/dbraw/zinc/75/42/10/842754210.db2.gz SJZKXRGRIIIYIR-CHWSQXEVSA-N 0 3 362.496 -0.866 20 0 FBADHN CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1C ZINC001103731782 842754972 /nfs/dbraw/zinc/75/49/72/842754972.db2.gz WJYAWNDXGUIYHR-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1C ZINC001103731791 842755016 /nfs/dbraw/zinc/75/50/16/842755016.db2.gz XAXQCZNOLHSMTA-IUODEOHRSA-N 0 3 369.491 -0.092 20 0 FBADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)NC)C1 ZINC001103731853 842754318 /nfs/dbraw/zinc/75/43/18/842754318.db2.gz ZYYQOYGGOCLHLS-CHWSQXEVSA-N 0 3 362.496 -0.864 20 0 FBADHN CCCS(=O)(=O)CC(=O)NCC[C@@H]1CN(C[C@H](O)COC)C[C@H]1C ZINC001103732438 842754876 /nfs/dbraw/zinc/75/48/76/842754876.db2.gz AIJVZUMSZGEPFX-KFWWJZLASA-N 0 3 364.508 -0.107 20 0 FBADHN CCCS(=O)(=O)CC(=O)NCC[C@@H]1CN(C[C@@H](O)COC)C[C@H]1C ZINC001103732439 842754335 /nfs/dbraw/zinc/75/43/35/842754335.db2.gz AIJVZUMSZGEPFX-RBSFLKMASA-N 0 3 364.508 -0.107 20 0 FBADHN CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1C ZINC001103732648 842755271 /nfs/dbraw/zinc/75/52/71/842755271.db2.gz LTHXHDVWBFGAOR-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001103732651 842754236 /nfs/dbraw/zinc/75/42/36/842754236.db2.gz LVPRYSYKYSIAGS-VXGBXAGGSA-N 0 3 362.496 -0.736 20 0 FBADHN CCCS(=O)(=O)CC(=O)NCC[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001103732798 842754144 /nfs/dbraw/zinc/75/41/44/842754144.db2.gz VTPFZLCIFOUFMA-HUUCEWRRSA-N 0 3 364.508 -0.106 20 0 FBADHN CC(C)S(=O)(=O)CC(=O)NCC[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001103734530 842754385 /nfs/dbraw/zinc/75/43/85/842754385.db2.gz CHLYZKUDEVMKHH-HUUCEWRRSA-N 0 3 364.508 -0.107 20 0 FBADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001103734835 842754764 /nfs/dbraw/zinc/75/47/64/842754764.db2.gz YAEISNQVTJYDBQ-KFWWJZLASA-N 0 3 364.508 -0.109 20 0 FBADHN COC[C@H](O)CN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001103734836 842754455 /nfs/dbraw/zinc/75/44/55/842754455.db2.gz YAEISNQVTJYDBQ-RBSFLKMASA-N 0 3 364.508 -0.109 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001103739185 842755142 /nfs/dbraw/zinc/75/51/42/842755142.db2.gz VLOZYXLWNRZMEE-BPLDGKMQSA-N 0 3 354.451 -0.946 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001103739186 842754479 /nfs/dbraw/zinc/75/44/79/842754479.db2.gz VLOZYXLWNRZMEE-YUELXQCFSA-N 0 3 354.451 -0.946 20 0 FBADHN C[C@H](NC(=O)c1ccco1)C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103740283 842756161 /nfs/dbraw/zinc/75/61/61/842756161.db2.gz BQRLEJSMFDMCNN-FRRDWIJNSA-N 0 3 350.419 -0.043 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001103740779 842756426 /nfs/dbraw/zinc/75/64/26/842756426.db2.gz USXBPBPBCXIUCI-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001103740780 842756597 /nfs/dbraw/zinc/75/65/97/842756597.db2.gz USXBPBPBCXIUCI-OAGGEKHMSA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001103740813 842756659 /nfs/dbraw/zinc/75/66/59/842756659.db2.gz VRTHRTRQZDYKMG-KFWWJZLASA-N 0 3 362.492 -0.353 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001103740814 842756515 /nfs/dbraw/zinc/75/65/15/842756515.db2.gz VRTHRTRQZDYKMG-RBSFLKMASA-N 0 3 362.492 -0.353 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001103742603 842756130 /nfs/dbraw/zinc/75/61/30/842756130.db2.gz NFDZHKKHAMSBBI-FRFSOERESA-N 0 3 352.479 -0.343 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001103742604 842756366 /nfs/dbraw/zinc/75/63/66/842756366.db2.gz NFDZHKKHAMSBBI-UNEWFSDZSA-N 0 3 352.479 -0.343 20 0 FBADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001103746699 842757026 /nfs/dbraw/zinc/75/70/26/842757026.db2.gz QXNIBJZXVJDWSL-CHWSQXEVSA-N 0 3 362.496 -0.912 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)NC(=O)NC)C1 ZINC001103749879 842756885 /nfs/dbraw/zinc/75/68/85/842756885.db2.gz SCNMYZAQAUGEKT-CHWSQXEVSA-N 0 3 355.483 -0.096 20 0 FBADHN CCS(=O)(=O)CC(=O)NCC[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001103753298 842758561 /nfs/dbraw/zinc/75/85/61/842758561.db2.gz AHSWSXNYZMZASH-ZIAGYGMSSA-N 0 3 350.481 -0.496 20 0 FBADHN CCS(=O)(=O)CC(=O)NCC[C@@H]1CN(C[C@H](O)COC)C[C@H]1C ZINC001103753599 842758100 /nfs/dbraw/zinc/75/81/00/842758100.db2.gz QXWBGYCOIBBRBC-MCIONIFRSA-N 0 3 350.481 -0.497 20 0 FBADHN CCS(=O)(=O)CC(=O)NCC[C@@H]1CN(C[C@@H](O)COC)C[C@H]1C ZINC001103753600 842757701 /nfs/dbraw/zinc/75/77/01/842757701.db2.gz QXWBGYCOIBBRBC-MGPQQGTHSA-N 0 3 350.481 -0.497 20 0 FBADHN CCOCCOCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103758787 842758340 /nfs/dbraw/zinc/75/83/40/842758340.db2.gz RZHNCXFYZONDGJ-CHWSQXEVSA-N 0 3 358.439 -0.691 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001103760603 842758301 /nfs/dbraw/zinc/75/83/01/842758301.db2.gz UNPSTUXHUGGCRD-CHWSQXEVSA-N 0 3 351.451 -0.452 20 0 FBADHN C[C@@H](CS(C)(=O)=O)C(=O)NCC[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001103761505 842758693 /nfs/dbraw/zinc/75/86/93/842758693.db2.gz JYTOGBLFHJVIIN-QLFBSQMISA-N 0 3 364.508 -0.250 20 0 FBADHN C[C@H](CS(C)(=O)=O)C(=O)NCC[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001103761506 842758319 /nfs/dbraw/zinc/75/83/19/842758319.db2.gz JYTOGBLFHJVIIN-RBSFLKMASA-N 0 3 364.508 -0.250 20 0 FBADHN COCCOCCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103771745 842759988 /nfs/dbraw/zinc/75/99/88/842759988.db2.gz IFSOGVWCKXZQIQ-CHWSQXEVSA-N 0 3 358.439 -0.691 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCCC(N)=O ZINC001103777577 842760284 /nfs/dbraw/zinc/76/02/84/842760284.db2.gz JMHJPECHLBFRRN-CHWSQXEVSA-N 0 3 362.496 -0.735 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCCC(N)=O)C1 ZINC001103777816 842760068 /nfs/dbraw/zinc/76/00/68/842760068.db2.gz QWCFWGUYZKXJJH-VXGBXAGGSA-N 0 3 355.439 -0.828 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001103779139 842759802 /nfs/dbraw/zinc/75/98/02/842759802.db2.gz NQURXDPXKIMPDE-CHWSQXEVSA-N 0 3 350.423 -0.587 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CCCC(N)=O)C1 ZINC001103779360 842760224 /nfs/dbraw/zinc/76/02/24/842760224.db2.gz ZNXCCBKDWZOOGY-GRYCIOLGSA-N 0 3 355.439 -0.700 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CCCC(N)=O)C1 ZINC001103779361 842760248 /nfs/dbraw/zinc/76/02/48/842760248.db2.gz ZNXCCBKDWZOOGY-IJLUTSLNSA-N 0 3 355.439 -0.700 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001103779722 842760032 /nfs/dbraw/zinc/76/00/32/842760032.db2.gz GWZGXONKCOHCMI-HUUCEWRRSA-N 0 3 371.507 -0.103 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001103779895 842760273 /nfs/dbraw/zinc/76/02/73/842760273.db2.gz OGEYGRFEDPXEKS-FRRDWIJNSA-N 0 3 350.423 -0.459 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001103779896 842759356 /nfs/dbraw/zinc/75/93/56/842759356.db2.gz OGEYGRFEDPXEKS-JHJVBQTASA-N 0 3 350.423 -0.459 20 0 FBADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1ccnc1 ZINC001103779923 842759428 /nfs/dbraw/zinc/75/94/28/842759428.db2.gz RCQXZBYPYIYEMQ-ZIAGYGMSSA-N 0 3 357.480 -0.494 20 0 FBADHN Cc1nonc1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103781817 842759299 /nfs/dbraw/zinc/75/92/99/842759299.db2.gz QETRFITYTLSVMW-ZYHUDNBSSA-N 0 3 359.452 -0.385 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nonc2C)C1 ZINC001103781939 842760132 /nfs/dbraw/zinc/76/01/32/842760132.db2.gz WCOCRXFXCINEGT-MWLCHTKSSA-N 0 3 352.395 -0.479 20 0 FBADHN Cc1nonc1C(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103781975 842759593 /nfs/dbraw/zinc/75/95/93/842759593.db2.gz XHWAQIGLQPJIAA-DVVUODLYSA-N 0 3 352.395 -0.351 20 0 FBADHN Cc1nonc1C(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103781976 842760199 /nfs/dbraw/zinc/76/01/99/842760199.db2.gz XHWAQIGLQPJIAA-FBIMIBRVSA-N 0 3 352.395 -0.351 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001103782516 842759880 /nfs/dbraw/zinc/75/98/80/842759880.db2.gz DDDJKMDSXAONKD-MCIONIFRSA-N 0 3 354.451 -0.769 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001103782517 842759957 /nfs/dbraw/zinc/75/99/57/842759957.db2.gz DDDJKMDSXAONKD-MGPQQGTHSA-N 0 3 354.451 -0.769 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001103782675 842760328 /nfs/dbraw/zinc/76/03/28/842760328.db2.gz MULCHVPAHMTWQB-MCIONIFRSA-N 0 3 353.467 -0.260 20 0 FBADHN COc1ncnc(OC)c1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103782918 842760317 /nfs/dbraw/zinc/76/03/17/842760317.db2.gz ZXYXAJVRGWJVJQ-GHMZBOCLSA-N 0 3 351.407 -0.333 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCc2cn(C)nn2)C1 ZINC001103787045 842759322 /nfs/dbraw/zinc/75/93/22/842759322.db2.gz JGZJOUASMLSAAP-ZIAGYGMSSA-N 0 3 350.467 -0.042 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2[nH]cnc2C)C1 ZINC001103787910 842759393 /nfs/dbraw/zinc/75/93/93/842759393.db2.gz NTBNQSPKKYGFHZ-ZYHUDNBSSA-N 0 3 350.423 -0.138 20 0 FBADHN Cc1nc[nH]c1C(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103788687 842760359 /nfs/dbraw/zinc/76/03/59/842760359.db2.gz LTDMRXBMKPUZMD-DGCLKSJQSA-N 0 3 357.480 -0.045 20 0 FBADHN Cc1nc[nH]c1C(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103788838 842760100 /nfs/dbraw/zinc/76/01/00/842760100.db2.gz ULVPWQKSEGTBGH-ADEWGFFLSA-N 0 3 350.423 -0.011 20 0 FBADHN Cc1nc[nH]c1C(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103788839 842760155 /nfs/dbraw/zinc/76/01/55/842760155.db2.gz ULVPWQKSEGTBGH-YUSALJHKSA-N 0 3 350.423 -0.011 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)N2CCOCC2)C1 ZINC001103789449 842759517 /nfs/dbraw/zinc/75/95/17/842759517.db2.gz BEFIMELRDJHRRF-OWCLPIDISA-N 0 3 354.495 -0.083 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001103789719 842760083 /nfs/dbraw/zinc/76/00/83/842760083.db2.gz OFFGEZVUPYXBDA-JHJVBQTASA-N 0 3 352.435 -0.751 20 0 FBADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001103789720 842760006 /nfs/dbraw/zinc/76/00/06/842760006.db2.gz OFFGEZVUPYXBDA-UPJWGTAASA-N 0 3 352.435 -0.751 20 0 FBADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCCCCS(N)(=O)=O ZINC001103794115 842761163 /nfs/dbraw/zinc/76/11/63/842761163.db2.gz BEONIJUHORHHAW-CHWSQXEVSA-N 0 3 362.496 -0.605 20 0 FBADHN COCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001103795362 842761430 /nfs/dbraw/zinc/76/14/30/842761430.db2.gz BSIDBIJQDNRTQL-HZSPNIEDSA-N 0 3 356.467 -0.700 20 0 FBADHN COCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001103795363 842761273 /nfs/dbraw/zinc/76/12/73/842761273.db2.gz BSIDBIJQDNRTQL-MGPQQGTHSA-N 0 3 356.467 -0.700 20 0 FBADHN C[C@H](NC(=O)CNCC[C@@H]1CN(C(=O)C(F)F)C[C@H]1C)C(=O)N(C)C ZINC001103807210 842761039 /nfs/dbraw/zinc/76/10/39/842761039.db2.gz RKGFCRYAMWTKAL-GRYCIOLGSA-N 0 3 362.421 -0.081 20 0 FBADHN C[C@@H](NC(=O)CNCC[C@@H]1CN(C(=O)C(F)F)C[C@H]1C)C(=O)N(C)C ZINC001103807211 842761519 /nfs/dbraw/zinc/76/15/19/842761519.db2.gz RKGFCRYAMWTKAL-IJLUTSLNSA-N 0 3 362.421 -0.081 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)Nc2nncs2)C1 ZINC001103826135 842761338 /nfs/dbraw/zinc/76/13/38/842761338.db2.gz SPXIEOLFPJWYNW-ZYHUDNBSSA-N 0 3 368.463 -0.313 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)Nc2ccon2)C1 ZINC001103827154 842761580 /nfs/dbraw/zinc/76/15/80/842761580.db2.gz RAMUCUJDOLATTB-DGCLKSJQSA-N 0 3 351.407 -0.177 20 0 FBADHN COc1nccc(CNCC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1 ZINC001103859860 842762370 /nfs/dbraw/zinc/76/23/70/842762370.db2.gz BURFWHOIMGELFL-VXGBXAGGSA-N 0 3 350.423 -0.272 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CCNCC(=O)Nc1nccs1 ZINC001103860180 842762413 /nfs/dbraw/zinc/76/24/13/842762413.db2.gz KEOZHUATAVQENC-GHMZBOCLSA-N 0 3 368.463 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CCNCC(=O)Nc1nncs1 ZINC001103860545 842762480 /nfs/dbraw/zinc/76/24/80/842762480.db2.gz RAUGZYBGXMWTOJ-NXEZZACHSA-N 0 3 369.451 -0.781 20 0 FBADHN COc1ccc(CNCC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)nn1 ZINC001103860772 842762535 /nfs/dbraw/zinc/76/25/35/842762535.db2.gz XWXGGJGKLFHYGK-VXGBXAGGSA-N 0 3 350.423 -0.272 20 0 FBADHN COc1cncc(CNCC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1 ZINC001103863293 842761954 /nfs/dbraw/zinc/76/19/54/842761954.db2.gz WIMGMOKYRKPCQK-VXGBXAGGSA-N 0 3 350.423 -0.272 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001103865320 842763213 /nfs/dbraw/zinc/76/32/13/842763213.db2.gz PRDBRETUBKPDTQ-GHMZBOCLSA-N 0 3 352.395 -0.644 20 0 FBADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001103953693 842765133 /nfs/dbraw/zinc/76/51/33/842765133.db2.gz HGGFOXDUKYAZJH-CHWSQXEVSA-N 0 3 357.480 -0.083 20 0 FBADHN Cc1cc(NC(=O)CNCC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)no1 ZINC001104020543 842767510 /nfs/dbraw/zinc/76/75/10/842767510.db2.gz BXGNEWUUHWAUCY-ZYHUDNBSSA-N 0 3 351.407 -0.129 20 0 FBADHN Cc1nnc(NC(=O)CNCC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)s1 ZINC001104021000 842767483 /nfs/dbraw/zinc/76/74/83/842767483.db2.gz PWUDFFQSRZRCRR-MWLCHTKSSA-N 0 3 368.463 -0.265 20 0 FBADHN Cc1cc(NC(=O)CNCC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)on1 ZINC001104021139 842767636 /nfs/dbraw/zinc/76/76/36/842767636.db2.gz RKXXWIJGARFZRT-ZYHUDNBSSA-N 0 3 351.407 -0.129 20 0 FBADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CCNCC(=O)Nc1nncs1 ZINC001104021307 842767497 /nfs/dbraw/zinc/76/74/97/842767497.db2.gz UWZBCBZAEMJSJH-NXEZZACHSA-N 0 3 354.436 -0.574 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1CCNCc1cnnn1C ZINC001104033814 842768408 /nfs/dbraw/zinc/76/84/08/842768408.db2.gz IOTPLGBTRJCECM-FMKPAKJESA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1CCNCc1cnnn1C ZINC001104033815 842768463 /nfs/dbraw/zinc/76/84/63/842768463.db2.gz IOTPLGBTRJCECM-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104048533 842768434 /nfs/dbraw/zinc/76/84/34/842768434.db2.gz ZGHZHLVDOXMZLZ-GHMZBOCLSA-N 0 3 351.411 -0.994 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1CCNCc1cnnn1C ZINC001104087358 842770488 /nfs/dbraw/zinc/77/04/88/842770488.db2.gz DXLZUYDSFZPRHQ-HUUCEWRRSA-N 0 3 350.467 -0.279 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1CCNCc1cnnn1C ZINC001104090896 842771403 /nfs/dbraw/zinc/77/14/03/842771403.db2.gz YLCIAXQZBUWUFQ-FMKPAKJESA-N 0 3 350.467 -0.280 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1CCNCc1cnnn1C ZINC001104090897 842771783 /nfs/dbraw/zinc/77/17/83/842771783.db2.gz YLCIAXQZBUWUFQ-IIAWOOMASA-N 0 3 350.467 -0.280 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)Nc2nncs2)C1 ZINC001104111042 842772245 /nfs/dbraw/zinc/77/22/45/842772245.db2.gz RBBJKFVXWWDJGD-GHMZBOCLSA-N 0 3 368.463 -0.313 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)Nc2ccon2)C1 ZINC001104112753 842772583 /nfs/dbraw/zinc/77/25/83/842772583.db2.gz TUXSNCPKADIPHZ-VXGBXAGGSA-N 0 3 351.407 -0.177 20 0 FBADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C ZINC001104115600 842772691 /nfs/dbraw/zinc/77/26/91/842772691.db2.gz QIILQVKDXFEUMN-FRRDWIJNSA-N 0 3 351.455 -0.071 20 0 FBADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001104144112 842773712 /nfs/dbraw/zinc/77/37/12/842773712.db2.gz IDYJEKJIBPDEDO-BZPMIXESSA-N 0 3 350.423 -0.019 20 0 FBADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001104144113 842773568 /nfs/dbraw/zinc/77/35/68/842773568.db2.gz IDYJEKJIBPDEDO-YRGRVCCFSA-N 0 3 350.423 -0.019 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnnn2C)C1 ZINC001104153754 842773318 /nfs/dbraw/zinc/77/33/18/842773318.db2.gz QPFGFXORSPBKSO-CHWSQXEVSA-N 0 3 351.455 -0.292 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001104187372 842775829 /nfs/dbraw/zinc/77/58/29/842775829.db2.gz SKRMDFUMOBYTCK-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001104187576 842775339 /nfs/dbraw/zinc/77/53/39/842775339.db2.gz XTVRVRRPTSQCLX-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNCc2cnnn2C)C1)NC(N)=O ZINC001104189294 842775507 /nfs/dbraw/zinc/77/55/07/842775507.db2.gz SMBCVSPOGSOCOD-FRRDWIJNSA-N 0 3 351.455 -0.164 20 0 FBADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNCc2cnnn2C)C1)NC(N)=O ZINC001104189295 842775431 /nfs/dbraw/zinc/77/54/31/842775431.db2.gz SMBCVSPOGSOCOD-JHJVBQTASA-N 0 3 351.455 -0.164 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CCNCc1cnnn1C ZINC001104233273 835985071 /nfs/dbraw/zinc/98/50/71/835985071.db2.gz LXRVQTWUUYDAIC-VXGBXAGGSA-N 0 3 355.464 -0.566 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CCNCCS(C)(=O)=O ZINC001104233379 835985165 /nfs/dbraw/zinc/98/51/65/835985165.db2.gz REEWJWMDJRXGMY-VXGBXAGGSA-N 0 3 366.505 -0.850 20 0 FBADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001104233430 835985084 /nfs/dbraw/zinc/98/50/84/835985084.db2.gz UEDAAKIZYJKWSR-CHWSQXEVSA-N 0 3 369.491 -0.083 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001104257784 835993391 /nfs/dbraw/zinc/99/33/91/835993391.db2.gz BTJNJVKKGOCHGS-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CCNCc1nccn1C ZINC001104257851 835993138 /nfs/dbraw/zinc/99/31/38/835993138.db2.gz GNIXDUYKBGUCJQ-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CCNCc1nccn1C ZINC001104258015 835992931 /nfs/dbraw/zinc/99/29/31/835992931.db2.gz OJTJTHFVAPEGKX-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CCNCc1ccn(C)n1 ZINC001104258116 835993353 /nfs/dbraw/zinc/99/33/53/835993353.db2.gz UYSARDWHBAOFPT-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CCNCc1ccn(C)n1 ZINC001104258169 835994364 /nfs/dbraw/zinc/99/43/64/835994364.db2.gz XERSDTRSXHOSKY-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001104258181 835994195 /nfs/dbraw/zinc/99/41/95/835994195.db2.gz XRCMHTQWIYJOBY-ZIAGYGMSSA-N 0 3 371.507 -0.066 20 0 FBADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001104264849 835995101 /nfs/dbraw/zinc/99/51/01/835995101.db2.gz IAWABVYYNNWHOE-CHWSQXEVSA-N 0 3 351.455 -0.199 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1CCNCc1cnns1 ZINC001104297557 836000375 /nfs/dbraw/zinc/00/03/75/836000375.db2.gz YRKCHDQQRGAFKJ-CHWSQXEVSA-N 0 3 367.475 -0.029 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1CCNCc1cnns1 ZINC001104304427 836002566 /nfs/dbraw/zinc/00/25/66/836002566.db2.gz IXANZALCIMPSEX-FOGDFJRCSA-N 0 3 366.447 -0.290 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104333967 836006700 /nfs/dbraw/zinc/00/67/00/836006700.db2.gz JVSXBYHAIMMUHK-NXEZZACHSA-N 0 3 350.379 -0.935 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104334120 836006945 /nfs/dbraw/zinc/00/69/45/836006945.db2.gz RKFVTOIHWOQTHS-VXGBXAGGSA-N 0 3 371.463 -0.581 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104335359 836006324 /nfs/dbraw/zinc/00/63/24/836006324.db2.gz ONBPOZVCXXEUOV-VXGBXAGGSA-N 0 3 356.448 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1CCNCCS(C)(=O)=O ZINC001104357467 836009972 /nfs/dbraw/zinc/00/99/72/836009972.db2.gz DCPIKFMVZMQPCG-CHWSQXEVSA-N 0 3 368.521 -0.460 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1CCNCc1cnnn1C ZINC001104357603 836009927 /nfs/dbraw/zinc/00/99/27/836009927.db2.gz MSIDIUXBNBJDIK-CHWSQXEVSA-N 0 3 357.480 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1CCNCc1cnnn1C ZINC001104368470 836011120 /nfs/dbraw/zinc/01/11/20/836011120.db2.gz SJWMYXDYQIAVRN-TZMCWYRMSA-N 0 3 369.491 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CCNCc1cnns1 ZINC001104368822 836010966 /nfs/dbraw/zinc/01/09/66/836010966.db2.gz MCMDANIFKCOVEF-VXGBXAGGSA-N 0 3 365.463 -0.292 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1CCNCc1cnnn1C ZINC001104373382 836012336 /nfs/dbraw/zinc/01/23/36/836012336.db2.gz MDSWKCTZLZLJNS-GHMZBOCLSA-N 0 3 358.393 -0.229 20 0 FBADHN CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001104379700 836014968 /nfs/dbraw/zinc/01/49/68/836014968.db2.gz HWNHLOYHKBNVLH-CHWSQXEVSA-N 0 3 352.439 -0.355 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001104379781 836014919 /nfs/dbraw/zinc/01/49/19/836014919.db2.gz LNNUSLPIQQDBMT-CHWSQXEVSA-N 0 3 350.423 -0.649 20 0 FBADHN CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001104379829 836015255 /nfs/dbraw/zinc/01/52/55/836015255.db2.gz NXNRIUNSECTUQI-GHMZBOCLSA-N 0 3 351.411 -0.662 20 0 FBADHN COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001104379925 836014438 /nfs/dbraw/zinc/01/44/38/836014438.db2.gz SJCCJCFFZCYIKY-CHWSQXEVSA-N 0 3 352.439 -0.355 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001104381181 836017441 /nfs/dbraw/zinc/01/74/41/836017441.db2.gz XVOWYRBSKGYECW-GMTAPVOTSA-N 0 3 351.411 -0.663 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001104381182 836015999 /nfs/dbraw/zinc/01/59/99/836015999.db2.gz XVOWYRBSKGYECW-OUAUKWLOSA-N 0 3 351.411 -0.663 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNCc1cnnn1C ZINC001104397664 836022403 /nfs/dbraw/zinc/02/24/03/836022403.db2.gz UXOZRKLHYKQXRX-MCIONIFRSA-N 0 3 369.491 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNCc1cnnn1C ZINC001104397665 836022252 /nfs/dbraw/zinc/02/22/52/836022252.db2.gz UXOZRKLHYKQXRX-MGPQQGTHSA-N 0 3 369.491 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CCNCc1cnns1 ZINC001104487093 836035276 /nfs/dbraw/zinc/03/52/76/836035276.db2.gz QLHCDADIOVATLE-CHWSQXEVSA-N 0 3 366.491 -0.456 20 0 FBADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC001104611231 836049542 /nfs/dbraw/zinc/04/95/42/836049542.db2.gz GNNGTAOITSQUMQ-NXEZZACHSA-N 0 3 352.357 -0.386 20 0 FBADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNCc1cc(=O)n2ccsc2n1 ZINC001104612256 836050588 /nfs/dbraw/zinc/05/05/88/836050588.db2.gz VNFKWHNNDLLZJB-GHMZBOCLSA-N 0 3 363.443 -0.185 20 0 FBADHN Cc1csc(NC(=O)CNCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 ZINC001104612430 836050537 /nfs/dbraw/zinc/05/05/37/836050537.db2.gz YOISZKSGGCLSNW-MWLCHTKSSA-N 0 3 353.448 -0.050 20 0 FBADHN Cc1nnc(NC(=O)CNCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)s1 ZINC001104612444 836051385 /nfs/dbraw/zinc/05/13/85/836051385.db2.gz YPVTZVMTKMKJMJ-PSASIEDQSA-N 0 3 354.436 -0.655 20 0 FBADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNCC(=O)N(C)c1nccs1 ZINC001104613108 836050207 /nfs/dbraw/zinc/05/02/07/836050207.db2.gz JKVSJKQELSTRMI-GHMZBOCLSA-N 0 3 353.448 -0.335 20 0 FBADHN Cc1cc(NC(=O)[C@H](C)NCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)on1 ZINC001104616994 836051265 /nfs/dbraw/zinc/05/12/65/836051265.db2.gz LORDYSOJFAZESB-ADEWGFFLSA-N 0 3 351.407 -0.130 20 0 FBADHN Cc1cc(NC(=O)[C@@H](C)NCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)on1 ZINC001104616995 836051459 /nfs/dbraw/zinc/05/14/59/836051459.db2.gz LORDYSOJFAZESB-YUSALJHKSA-N 0 3 351.407 -0.130 20 0 FBADHN Cc1cc(NC(=O)CNCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n(C)n1 ZINC001104617482 836050953 /nfs/dbraw/zinc/05/09/53/836050953.db2.gz VAOZFTHWUKVOHJ-ZYHUDNBSSA-N 0 3 350.423 -0.773 20 0 FBADHN Cc1n[nH]c(C)c1NC(=O)CNCC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104617631 836051176 /nfs/dbraw/zinc/05/11/76/836051176.db2.gz ZQNAJCMRCSQAEZ-BXKDBHETSA-N 0 3 350.423 -0.475 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001104724726 836054357 /nfs/dbraw/zinc/05/43/57/836054357.db2.gz CDHCJKJGRORCIP-HZSPNIEDSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001104724727 836054143 /nfs/dbraw/zinc/05/41/43/836054143.db2.gz CDHCJKJGRORCIP-MGPQQGTHSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001104724742 836054522 /nfs/dbraw/zinc/05/45/22/836054522.db2.gz CYTKYBLEQYLJBI-HZSPNIEDSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001104724743 836054710 /nfs/dbraw/zinc/05/47/10/836054710.db2.gz CYTKYBLEQYLJBI-MGPQQGTHSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1CCNCc1cnns1 ZINC001104736246 836055373 /nfs/dbraw/zinc/05/53/73/836055373.db2.gz QLDJKCUPDJOZQP-FOGDFJRCSA-N 0 3 366.447 -0.290 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CCNCc1cnns1 ZINC001104802812 836065546 /nfs/dbraw/zinc/06/55/46/836065546.db2.gz KEPYMQJFIOYNHQ-GHMZBOCLSA-N 0 3 366.447 -0.336 20 0 FBADHN CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001104810142 836066621 /nfs/dbraw/zinc/06/66/21/836066621.db2.gz CLYHGYXZGJFVGE-CHWSQXEVSA-N 0 3 352.439 -0.355 20 0 FBADHN COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001104810164 836066678 /nfs/dbraw/zinc/06/66/78/836066678.db2.gz DOJSASYMWWUECI-CHWSQXEVSA-N 0 3 352.439 -0.355 20 0 FBADHN CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001104810208 836066759 /nfs/dbraw/zinc/06/67/59/836066759.db2.gz GZDUGQBMLODZPJ-GHMZBOCLSA-N 0 3 351.411 -0.662 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CCNCC(=O)Nc1nncs1 ZINC001104810520 836066595 /nfs/dbraw/zinc/06/65/95/836066595.db2.gz WKBLTNKJKVQGFF-NXEZZACHSA-N 0 3 364.435 -0.017 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001104810538 836066962 /nfs/dbraw/zinc/06/69/62/836066962.db2.gz XIHMXUZHMZOXBY-CHWSQXEVSA-N 0 3 350.423 -0.649 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001104811547 836067380 /nfs/dbraw/zinc/06/73/80/836067380.db2.gz AEHQDFWCERGTKL-GMTAPVOTSA-N 0 3 351.411 -0.663 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001104811549 836067397 /nfs/dbraw/zinc/06/73/97/836067397.db2.gz AEHQDFWCERGTKL-OUAUKWLOSA-N 0 3 351.411 -0.663 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CCNCc1ccn(C)n1 ZINC001104964483 836072602 /nfs/dbraw/zinc/07/26/02/836072602.db2.gz KSOOWAXPYQBKNN-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CCNCc1nccn1C ZINC001104965082 836072643 /nfs/dbraw/zinc/07/26/43/836072643.db2.gz WFEXPGJCWKFOQK-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CCNCc1cnns1 ZINC001104986938 836074029 /nfs/dbraw/zinc/07/40/29/836074029.db2.gz CXWLBXHFXGSRET-GHMZBOCLSA-N 0 3 366.447 -0.336 20 0 FBADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001104990331 836074099 /nfs/dbraw/zinc/07/40/99/836074099.db2.gz SITOMJJJFNYTJE-CHWSQXEVSA-N 0 3 351.455 -0.069 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CCNCc1nccn1C ZINC001105022509 836075686 /nfs/dbraw/zinc/07/56/86/836075686.db2.gz BBOPMHBUWZRELW-MCIONIFRSA-N 0 3 369.491 -0.314 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CCNCc1nccn1C ZINC001105022510 836076093 /nfs/dbraw/zinc/07/60/93/836076093.db2.gz BBOPMHBUWZRELW-MGPQQGTHSA-N 0 3 369.491 -0.314 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CCNCc1ccn(C)n1 ZINC001105022777 836076051 /nfs/dbraw/zinc/07/60/51/836076051.db2.gz IJSGEMZPXYFXRT-NFAWXSAZSA-N 0 3 369.491 -0.314 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CCNCc1ccn(C)n1 ZINC001105022778 836075967 /nfs/dbraw/zinc/07/59/67/836075967.db2.gz IJSGEMZPXYFXRT-UMVBOHGHSA-N 0 3 369.491 -0.314 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CCNCc1cnnn1C ZINC001105023452 836076025 /nfs/dbraw/zinc/07/60/25/836076025.db2.gz ZZGNHRGAAGQGGR-BZPMIXESSA-N 0 3 370.479 -0.919 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CCNCc1cnnn1C ZINC001105023453 836075984 /nfs/dbraw/zinc/07/59/84/836075984.db2.gz ZZGNHRGAAGQGGR-YRGRVCCFSA-N 0 3 370.479 -0.919 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2cnns2)C1 ZINC001105024791 836076658 /nfs/dbraw/zinc/07/66/58/836076658.db2.gz GDPHKFFEXLXPNC-GHMZBOCLSA-N 0 3 361.493 -0.339 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001105024995 836077048 /nfs/dbraw/zinc/07/70/48/836077048.db2.gz KZDHXZQPULZWSL-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001105025000 836077254 /nfs/dbraw/zinc/07/72/54/836077254.db2.gz LEQLMJFTSVKZKW-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2nccnc2C)C1 ZINC001105025030 836077224 /nfs/dbraw/zinc/07/72/24/836077224.db2.gz MMQOVAZIZDJVFQ-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C)ncn2)C1 ZINC001105025399 836076634 /nfs/dbraw/zinc/07/66/34/836076634.db2.gz UHZPLOHWHNLFBZ-TZMCWYRMSA-N 0 3 369.491 -0.092 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C)n(C)n2)C1 ZINC001105025487 836076577 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CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105642441 836517919 /nfs/dbraw/zinc/51/79/19/836517919.db2.gz JGWGNNKJQILPMN-MWKWWEEBSA-N 0 3 367.475 -0.136 20 0 FBADHN CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)c3csnn3)[C@H]2C(C)C)C[C@H]1O ZINC001105642442 836518486 /nfs/dbraw/zinc/51/84/86/836518486.db2.gz JGWGNNKJQILPMN-UUFMSHNVSA-N 0 3 367.475 -0.136 20 0 FBADHN CC(C)[C@H]1N(C(=O)COCC(F)F)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105645726 836518335 /nfs/dbraw/zinc/51/83/35/836518335.db2.gz CHMPNILJOBZSIY-HOJOPBEUSA-N 0 3 363.405 -0.281 20 0 FBADHN CC(C)[C@@H]1N(C(=O)COCC(F)F)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105645727 836518175 /nfs/dbraw/zinc/51/81/75/836518175.db2.gz CHMPNILJOBZSIY-NSLUBLRVSA-N 0 3 363.405 -0.281 20 0 FBADHN CC(C)[C@H]1N(C(=O)COCC(F)F)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105645729 836518459 /nfs/dbraw/zinc/51/84/59/836518459.db2.gz CHMPNILJOBZSIY-WVATUKLVSA-N 0 3 363.405 -0.281 20 0 FBADHN CC(C)[C@@H]1N(C(=O)COCC(F)F)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105645731 836518505 /nfs/dbraw/zinc/51/85/05/836518505.db2.gz CHMPNILJOBZSIY-XYPYXGAPSA-N 0 3 363.405 -0.281 20 0 FBADHN CNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)c3cnon3)[C@@H]2C(C)C)C[C@H]1O ZINC001105663185 836524682 /nfs/dbraw/zinc/52/46/82/836524682.db2.gz SCCZVSLMYUIMJI-AEKOTVAKSA-N 0 3 351.407 -0.605 20 0 FBADHN CNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)c3cnon3)[C@H]2C(C)C)C[C@H]1O ZINC001105663186 836524462 /nfs/dbraw/zinc/52/44/62/836524462.db2.gz SCCZVSLMYUIMJI-ILHHOCCXSA-N 0 3 351.407 -0.605 20 0 FBADHN CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)c3cnon3)[C@@H]2C(C)C)C[C@H]1O ZINC001105663187 836525117 /nfs/dbraw/zinc/52/51/17/836525117.db2.gz SCCZVSLMYUIMJI-MWKWWEEBSA-N 0 3 351.407 -0.605 20 0 FBADHN CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)c3cnon3)[C@H]2C(C)C)C[C@H]1O ZINC001105663188 836524705 /nfs/dbraw/zinc/52/47/05/836524705.db2.gz SCCZVSLMYUIMJI-UUFMSHNVSA-N 0 3 351.407 -0.605 20 0 FBADHN 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CNS(=O)(=O)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCCF)C2)[C@@H]1C(C)C ZINC001105676814 836540440 /nfs/dbraw/zinc/54/04/40/836540440.db2.gz YWIVCXSPZKSILQ-RJZRQDKASA-N 0 3 365.471 -0.529 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCCF)C2)[C@@H]1C(C)C ZINC001105676815 836539972 /nfs/dbraw/zinc/53/99/72/836539972.db2.gz YWIVCXSPZKSILQ-UXOAXIEHSA-N 0 3 365.471 -0.529 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001105774091 836880657 /nfs/dbraw/zinc/88/06/57/836880657.db2.gz GZKDLQUTFCQURU-MWLCHTKSSA-N 0 3 354.436 -0.703 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](CNCC(=O)Nc2nnc(C)s2)[C@H](C)C1 ZINC001105774494 836880971 /nfs/dbraw/zinc/88/09/71/836880971.db2.gz SEGFELLVUQVWAV-BXKDBHETSA-N 0 3 368.463 -0.395 20 0 FBADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001105794188 836883137 /nfs/dbraw/zinc/88/31/37/836883137.db2.gz VQPZIXMIYKFPHQ-CKYFFXLPSA-N 0 3 368.463 -0.315 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001105794189 836883199 /nfs/dbraw/zinc/88/31/99/836883199.db2.gz VQPZIXMIYKFPHQ-JFGNBEQYSA-N 0 3 368.463 -0.315 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNCc1cn(C(C)(C)C)nn1 ZINC001105809554 836888156 /nfs/dbraw/zinc/88/81/56/836888156.db2.gz BPNJLJSHNKXTFB-VXGBXAGGSA-N 0 3 351.455 -0.115 20 0 FBADHN Cc1nnc(NC(=O)CNC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)s1 ZINC001105810807 836888043 /nfs/dbraw/zinc/88/80/43/836888043.db2.gz BVOVLHWKCDDBFP-PSASIEDQSA-N 0 3 369.451 -0.863 20 0 FBADHN CC(C)c1nnc(CNC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1C ZINC001105810930 836888033 /nfs/dbraw/zinc/88/80/33/836888033.db2.gz FWTSDPKQBZSJHE-VXGBXAGGSA-N 0 3 351.455 -0.209 20 0 FBADHN CCCn1c(C)nnc1CNC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001105811366 836888988 /nfs/dbraw/zinc/88/89/88/836888988.db2.gz ZLHQWMHGVVZXFO-DGCLKSJQSA-N 0 3 351.455 -0.151 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001105843704 836891190 /nfs/dbraw/zinc/89/11/90/836891190.db2.gz JHKSJDLTGSVFCF-IJLUTSLNSA-N 0 3 369.447 -0.424 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001105843705 836891103 /nfs/dbraw/zinc/89/11/03/836891103.db2.gz JHKSJDLTGSVFCF-UTUOFQBUSA-N 0 3 369.447 -0.424 20 0 FBADHN CC(=O)N(C)CC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001105852145 836892862 /nfs/dbraw/zinc/89/28/62/836892862.db2.gz QCWNUJQKKWXEEI-ZYHUDNBSSA-N 0 3 368.463 -0.361 20 0 FBADHN CCc1nnc(CNC[C@@H]2CN(C(=O)CNC(=O)OC)C[C@H]2C)n1C ZINC001105874545 836894750 /nfs/dbraw/zinc/89/47/50/836894750.db2.gz NQUSZCLXJYZVGD-VXGBXAGGSA-N 0 3 352.439 -0.082 20 0 FBADHN COC(=O)NCC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001105878865 836894681 /nfs/dbraw/zinc/89/46/81/836894681.db2.gz DJUOIXCUQQNIRJ-NXEZZACHSA-N 0 3 370.435 -0.483 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CNCC(=O)Nc1ccon1 ZINC001105889682 836896827 /nfs/dbraw/zinc/89/68/27/836896827.db2.gz TZDPNOMNSMPUQW-GHMZBOCLSA-N 0 3 358.420 -0.658 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CNCC(=O)Nc1cnccn1 ZINC001105896543 836898030 /nfs/dbraw/zinc/89/80/30/836898030.db2.gz ZOGYXPAXNULHPW-VXGBXAGGSA-N 0 3 369.447 -0.856 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001105936957 836901047 /nfs/dbraw/zinc/90/10/47/836901047.db2.gz YSYSXTXKIANOLD-GMTAPVOTSA-N 0 3 366.447 -0.561 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001105948260 836901929 /nfs/dbraw/zinc/90/19/29/836901929.db2.gz CSQAWFPQRQSRRF-GHMZBOCLSA-N 0 3 368.463 -0.313 20 0 FBADHN COCCOCC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001105953469 836903478 /nfs/dbraw/zinc/90/34/78/836903478.db2.gz XWFVFKFCPNXLSE-VXGBXAGGSA-N 0 3 371.463 -0.176 20 0 FBADHN Cc1nnc(NC(=O)CNC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)s1 ZINC001105965002 836904101 /nfs/dbraw/zinc/90/41/01/836904101.db2.gz HSTKOPREFVVJTQ-PSASIEDQSA-N 0 3 354.436 -0.655 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1C)C(=O)NC(N)=O ZINC001105992567 836907214 /nfs/dbraw/zinc/90/72/14/836907214.db2.gz SLRMGOWRVMUNBH-GMTAPVOTSA-N 0 3 351.411 -0.995 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1C)C(=O)NC(N)=O ZINC001105992568 836907478 /nfs/dbraw/zinc/90/74/78/836907478.db2.gz SLRMGOWRVMUNBH-OUAUKWLOSA-N 0 3 351.411 -0.995 20 0 FBADHN CCNC(=O)CC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106033106 836915343 /nfs/dbraw/zinc/91/53/43/836915343.db2.gz AQFXTHJIYFTOJC-GHMZBOCLSA-N 0 3 368.463 -0.313 20 0 FBADHN CCc1nnc(CNC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C)n1C ZINC001106048258 836918834 /nfs/dbraw/zinc/91/88/34/836918834.db2.gz ACYFWISMLNKFNH-GRYCIOLGSA-N 0 3 351.455 -0.382 20 0 FBADHN CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C ZINC001106048926 836918998 /nfs/dbraw/zinc/91/89/98/836918998.db2.gz YIHKICVRFMXHPI-NTZNESFSSA-N 0 3 351.455 -0.153 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](CNCC(=O)Nc2nnc(C)s2)[C@H](C)C1 ZINC001106050160 836918716 /nfs/dbraw/zinc/91/87/16/836918716.db2.gz LUZZTOXCCKOHLR-MWLCHTKSSA-N 0 3 368.463 -0.395 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106050895 836918697 /nfs/dbraw/zinc/91/86/97/836918697.db2.gz WLMQQPAWQNLXRN-NXEZZACHSA-N 0 3 354.436 -0.703 20 0 FBADHN COc1nccc(CNC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C)n1 ZINC001106053156 836918597 /nfs/dbraw/zinc/91/85/97/836918597.db2.gz KVRUGSFLWJLZKP-GRYCIOLGSA-N 0 3 350.423 -0.274 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106054968 836919972 /nfs/dbraw/zinc/91/99/72/836919972.db2.gz PWYAUOMXAFENQK-KXUCPTDWSA-N 0 3 369.451 -0.783 20 0 FBADHN COc1cncc(CNC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C)n1 ZINC001106055420 836919923 /nfs/dbraw/zinc/91/99/23/836919923.db2.gz VDZZYBOTRQUFNQ-GRYCIOLGSA-N 0 3 350.423 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106075565 836927826 /nfs/dbraw/zinc/92/78/26/836927826.db2.gz JZKLPCRUFOLYKK-NXEZZACHSA-N 0 3 364.435 -0.397 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106075922 836927811 /nfs/dbraw/zinc/92/78/11/836927811.db2.gz PBKTWTRBRFLSAH-BBBLOLIVSA-N 0 3 368.419 -0.731 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106075923 836927621 /nfs/dbraw/zinc/92/76/21/836927621.db2.gz PBKTWTRBRFLSAH-OPRDCNLKSA-N 0 3 368.419 -0.731 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106084179 836947878 /nfs/dbraw/zinc/94/78/78/836947878.db2.gz BUUXJVHTDJZTAE-NXEZZACHSA-N 0 3 364.435 -0.397 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106084452 836950400 /nfs/dbraw/zinc/95/04/00/836950400.db2.gz NVCMRUMVAJIZQM-NXEZZACHSA-N 0 3 364.435 -0.397 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](CN[C@@H](C)c2nncn2C)[C@H](C)C1 ZINC001106090452 836955316 /nfs/dbraw/zinc/95/53/16/836955316.db2.gz OZMSEQHNWGALHZ-FRRDWIJNSA-N 0 3 351.455 -0.121 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](CN[C@H](C)c2nncn2C)[C@H](C)C1 ZINC001106090453 836955641 /nfs/dbraw/zinc/95/56/41/836955641.db2.gz OZMSEQHNWGALHZ-JHJVBQTASA-N 0 3 351.455 -0.121 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)CCNC(=O)NC)C[C@H]2C)nn1 ZINC001106091819 836956228 /nfs/dbraw/zinc/95/62/28/836956228.db2.gz ICOKKOQXRLDXLR-CHWSQXEVSA-N 0 3 351.455 -0.199 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106116960 836970272 /nfs/dbraw/zinc/97/02/72/836970272.db2.gz URNSUBPBLDOYOV-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](CNCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001106120436 836975258 /nfs/dbraw/zinc/97/52/58/836975258.db2.gz VNSZQAZAUJDNIY-TZMCWYRMSA-N 0 3 371.507 -0.148 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106120624 836976251 /nfs/dbraw/zinc/97/62/51/836976251.db2.gz ZJWPQCIRAISTPG-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106122816 836977788 /nfs/dbraw/zinc/97/77/88/836977788.db2.gz GJOQBGVVEWAZRP-GHMZBOCLSA-N 0 3 361.493 -0.339 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106123181 836977531 /nfs/dbraw/zinc/97/75/31/836977531.db2.gz NXJQITXOCBDIFM-ZYHUDNBSSA-N 0 3 358.468 -0.763 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]2C)nn1 ZINC001106127354 836985624 /nfs/dbraw/zinc/98/56/24/836985624.db2.gz FKVQMDLAVASUCH-FRRDWIJNSA-N 0 3 351.455 -0.071 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]2C)nn1 ZINC001106127355 836985339 /nfs/dbraw/zinc/98/53/39/836985339.db2.gz FKVQMDLAVASUCH-JHJVBQTASA-N 0 3 351.455 -0.071 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106159319 837022460 /nfs/dbraw/zinc/02/24/60/837022460.db2.gz PKWOGMRSRREDTA-HZSPNIEDSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106159320 837023361 /nfs/dbraw/zinc/02/33/61/837023361.db2.gz PKWOGMRSRREDTA-MGPQQGTHSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106159431 837022962 /nfs/dbraw/zinc/02/29/62/837022962.db2.gz RVMWROHGBAJFHR-HZSPNIEDSA-N 0 3 371.507 -0.068 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106159432 837022904 /nfs/dbraw/zinc/02/29/04/837022904.db2.gz RVMWROHGBAJFHR-MGPQQGTHSA-N 0 3 371.507 -0.068 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106167541 837023856 /nfs/dbraw/zinc/02/38/56/837023856.db2.gz DJDDKLVNHRZTDS-NQBHXWOUSA-N 0 3 352.439 -0.552 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106167542 837024389 /nfs/dbraw/zinc/02/43/89/837024389.db2.gz DJDDKLVNHRZTDS-NTZNESFSSA-N 0 3 352.439 -0.552 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106167630 837023895 /nfs/dbraw/zinc/02/38/95/837023895.db2.gz IBWZNGXSRLSGRI-GRYCIOLGSA-N 0 3 355.464 -0.127 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106167631 837023810 /nfs/dbraw/zinc/02/38/10/837023810.db2.gz IBWZNGXSRLSGRI-IJLUTSLNSA-N 0 3 355.464 -0.127 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106169896 837026879 /nfs/dbraw/zinc/02/68/79/837026879.db2.gz KXZRPTPJKFJSMY-HZSPNIEDSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106169897 837027261 /nfs/dbraw/zinc/02/72/61/837027261.db2.gz KXZRPTPJKFJSMY-MGPQQGTHSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106170086 837026858 /nfs/dbraw/zinc/02/68/58/837026858.db2.gz PFZZWUHEJSEEBX-FRRDWIJNSA-N 0 3 352.439 -0.850 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106170087 837027149 /nfs/dbraw/zinc/02/71/49/837027149.db2.gz PFZZWUHEJSEEBX-JHJVBQTASA-N 0 3 352.439 -0.850 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106170330 837026458 /nfs/dbraw/zinc/02/64/58/837026458.db2.gz TXNJEXMGPVHNLW-HZSPNIEDSA-N 0 3 351.451 -0.245 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106170331 837026484 /nfs/dbraw/zinc/02/64/84/837026484.db2.gz TXNJEXMGPVHNLW-MGPQQGTHSA-N 0 3 351.451 -0.245 20 0 FBADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNCC(=O)Nc1ccon1 ZINC001106172394 837028129 /nfs/dbraw/zinc/02/81/29/837028129.db2.gz AWLVYNMEKFYMFA-GHMZBOCLSA-N 0 3 370.431 -0.658 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106182103 837036571 /nfs/dbraw/zinc/03/65/71/837036571.db2.gz GFDDNXCVUQKQSQ-GHMZBOCLSA-N 0 3 364.435 -0.548 20 0 FBADHN C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CNCc1nccn1C ZINC001106203194 837042403 /nfs/dbraw/zinc/04/24/03/837042403.db2.gz MITYUMFNFNVFNM-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106203199 837042061 /nfs/dbraw/zinc/04/20/61/837042061.db2.gz MKZLGXVVOBMIAP-ZYHUDNBSSA-N 0 3 358.468 -0.763 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001106203483 837042449 /nfs/dbraw/zinc/04/24/49/837042449.db2.gz RSQIRLYLKULNDY-TZMCWYRMSA-N 0 3 371.507 -0.148 20 0 FBADHN C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001106203742 837043798 /nfs/dbraw/zinc/04/37/98/837043798.db2.gz UZBJWNCBQKLCMS-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106203909 837043616 /nfs/dbraw/zinc/04/36/16/837043616.db2.gz YBXSAJWWWGGZES-GHMZBOCLSA-N 0 3 361.493 -0.339 20 0 FBADHN COCC(=O)N(C)CC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106204003 837043477 /nfs/dbraw/zinc/04/34/77/837043477.db2.gz BBCXNMROCHKSPQ-ZIAGYGMSSA-N 0 3 351.451 -0.291 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C)nn1C ZINC001106204116 837043711 /nfs/dbraw/zinc/04/37/11/837043711.db2.gz GAWLQBREXAKAIX-TZMCWYRMSA-N 0 3 371.507 -0.148 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106204221 837042652 /nfs/dbraw/zinc/04/26/52/837042652.db2.gz KQYQZQPXGLTUMS-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C)[nH]1 ZINC001106204226 837041961 /nfs/dbraw/zinc/04/19/61/837041961.db2.gz LAWQBMUSOGWTCT-ZYHUDNBSSA-N 0 3 358.468 -0.763 20 0 FBADHN C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CNCc1nccn1C ZINC001106204235 837042142 /nfs/dbraw/zinc/04/21/42/837042142.db2.gz LNRYJHSNHOIOJO-CHWSQXEVSA-N 0 3 357.480 -0.504 20 0 FBADHN COCC(=O)N(C)CC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106204281 837042127 /nfs/dbraw/zinc/04/21/27/837042127.db2.gz OGWKJVNCTHLGFX-ZIAGYGMSSA-N 0 3 351.451 -0.291 20 0 FBADHN CCn1ccnc1CNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001106204313 837042669 /nfs/dbraw/zinc/04/26/69/837042669.db2.gz QAPODHNUWFWLNL-ZIAGYGMSSA-N 0 3 371.507 -0.022 20 0 FBADHN C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CNCc1cnns1 ZINC001106204484 837043132 /nfs/dbraw/zinc/04/31/32/837043132.db2.gz WGWHKTIGCLOBHE-GHMZBOCLSA-N 0 3 361.493 -0.339 20 0 FBADHN C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001106204496 837043205 /nfs/dbraw/zinc/04/32/05/837043205.db2.gz WUXHJYULVRXJFI-CHWSQXEVSA-N 0 3 357.480 -0.504 20 0 FBADHN COCC(=O)N(C)CC(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106204503 837043154 /nfs/dbraw/zinc/04/31/54/837043154.db2.gz XBKZQGIIGLLWQN-CHWSQXEVSA-N 0 3 352.439 -0.896 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]2C)nn1C ZINC001106204531 837043819 /nfs/dbraw/zinc/04/38/19/837043819.db2.gz YATBULXYGHIUKD-TZMCWYRMSA-N 0 3 371.507 -0.196 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106204561 837043856 /nfs/dbraw/zinc/04/38/56/837043856.db2.gz ZXICNWNEFYKCNN-CHWSQXEVSA-N 0 3 357.480 -0.457 20 0 FBADHN C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CNCc1cnns1 ZINC001106204998 837044929 /nfs/dbraw/zinc/04/49/29/837044929.db2.gz AGENJWKFCPOXFT-GHMZBOCLSA-N 0 3 361.493 -0.386 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]2C)[nH]1 ZINC001106205308 837044562 /nfs/dbraw/zinc/04/45/62/837044562.db2.gz LFOUCWPYJFEXBV-ZYHUDNBSSA-N 0 3 358.468 -0.811 20 0 FBADHN CCn1ccc(CNC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]2C)n1 ZINC001106205398 837044897 /nfs/dbraw/zinc/04/48/97/837044897.db2.gz MTJXINVHMXCWGF-ZIAGYGMSSA-N 0 3 371.507 -0.022 20 0 FBADHN COCC(=O)N(C)CC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106205422 837044609 /nfs/dbraw/zinc/04/46/09/837044609.db2.gz OAMWUXSMPMOJSU-VXGBXAGGSA-N 0 3 355.464 -0.173 20 0 FBADHN COCC(=O)N(C)CC(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106205605 837044592 /nfs/dbraw/zinc/04/45/92/837044592.db2.gz RWZDFZPQWPMEHR-DGCLKSJQSA-N 0 3 352.439 -0.598 20 0 FBADHN COCC(=O)NCCC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106207434 837044534 /nfs/dbraw/zinc/04/45/34/837044534.db2.gz BODIIZNWBMEFGR-ZIAGYGMSSA-N 0 3 351.451 -0.243 20 0 FBADHN COCC(=O)NCCC(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106207603 837044428 /nfs/dbraw/zinc/04/44/28/837044428.db2.gz LCUFFCXMISBOHE-CHWSQXEVSA-N 0 3 352.439 -0.848 20 0 FBADHN COCC(=O)NCCC(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106207606 837045418 /nfs/dbraw/zinc/04/54/18/837045418.db2.gz LHNXXOJWDXAPAK-DGCLKSJQSA-N 0 3 352.439 -0.550 20 0 FBADHN COCC(=O)NCCC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106207622 837045633 /nfs/dbraw/zinc/04/56/33/837045633.db2.gz LZQYUILSUFSDIT-ZIAGYGMSSA-N 0 3 351.451 -0.243 20 0 FBADHN COCC(=O)NCCC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106207637 837045723 /nfs/dbraw/zinc/04/57/23/837045723.db2.gz MXMOPIHWWXSJSP-VXGBXAGGSA-N 0 3 355.464 -0.125 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNCc2cn(C(C)C)nn2)[C@H](C)C1 ZINC001106213002 837047030 /nfs/dbraw/zinc/04/70/30/837047030.db2.gz DZTWRNQFJUKOIL-CHWSQXEVSA-N 0 3 351.455 -0.028 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNCc2ccnc(OC)n2)[C@H](C)C1 ZINC001106213187 837046290 /nfs/dbraw/zinc/04/62/90/837046290.db2.gz HCNQPBYQQYXMMH-VXGBXAGGSA-N 0 3 350.423 -0.402 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106213237 837046220 /nfs/dbraw/zinc/04/62/20/837046220.db2.gz HTTXUYBTBXTQNM-NXEZZACHSA-N 0 3 369.451 -0.910 20 0 FBADHN CCc1nnc(CNC[C@@H]2CN(C(=O)CNC(=O)NC)C[C@H]2C)n1C ZINC001106213368 837046689 /nfs/dbraw/zinc/04/66/89/837046689.db2.gz OTTDGVHAMLIPQL-VXGBXAGGSA-N 0 3 351.455 -0.509 20 0 FBADHN CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001106213424 837046618 /nfs/dbraw/zinc/04/66/18/837046618.db2.gz QUXOYRCWPLPOIR-DGCLKSJQSA-N 0 3 351.455 -0.280 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNCc2cncc(OC)n2)[C@H](C)C1 ZINC001106213881 837046905 /nfs/dbraw/zinc/04/69/05/837046905.db2.gz NQQSYIYYSQRMBR-VXGBXAGGSA-N 0 3 350.423 -0.402 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106280576 837058634 /nfs/dbraw/zinc/05/86/34/837058634.db2.gz QDMPLAXQRBFZAS-NXEZZACHSA-N 0 3 368.463 -0.328 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106296632 837061602 /nfs/dbraw/zinc/06/16/02/837061602.db2.gz ALHHCUORFMUZDE-VXGBXAGGSA-N 0 3 371.463 -0.629 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106297749 837062029 /nfs/dbraw/zinc/06/20/29/837062029.db2.gz HQSHNDNBGSMKBC-GHMZBOCLSA-N 0 3 357.436 -0.971 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106298009 837061815 /nfs/dbraw/zinc/06/18/15/837061815.db2.gz RBOFUXDDROBBLU-VXGBXAGGSA-N 0 3 356.448 -0.085 20 0 FBADHN CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001106298228 837062320 /nfs/dbraw/zinc/06/23/20/837062320.db2.gz YMKFPICEVUFUTI-VXGBXAGGSA-N 0 3 371.463 -0.581 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C(=O)NC(N)=O ZINC001106298233 837062233 /nfs/dbraw/zinc/06/22/33/837062233.db2.gz ZDGRQRPCEHTMDB-KXUCPTDWSA-N 0 3 350.379 -0.937 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C(=O)NC(N)=O ZINC001106298234 837061622 /nfs/dbraw/zinc/06/16/22/837061622.db2.gz ZDGRQRPCEHTMDB-OPRDCNLKSA-N 0 3 350.379 -0.937 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001106332800 837066056 /nfs/dbraw/zinc/06/60/56/837066056.db2.gz ZPTXGDNXLWDGRM-DGCLKSJQSA-N 0 3 367.475 -0.421 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001106334832 837065764 /nfs/dbraw/zinc/06/57/64/837065764.db2.gz HNNZGKNIZYQUJT-DGCLKSJQSA-N 0 3 367.475 -0.421 20 0 FBADHN C[C@@H](NC[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C)c1nncn1C ZINC001106357139 837068098 /nfs/dbraw/zinc/06/80/98/837068098.db2.gz UVSOEFOHSNIXJK-GMTAPVOTSA-N 0 3 358.393 -0.059 20 0 FBADHN C[C@H](NC[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C)c1nncn1C ZINC001106357140 837067678 /nfs/dbraw/zinc/06/76/78/837067678.db2.gz UVSOEFOHSNIXJK-OUAUKWLOSA-N 0 3 358.393 -0.059 20 0 FBADHN CCn1cc(CNC[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@H]2C)nn1 ZINC001106357312 837067690 /nfs/dbraw/zinc/06/76/90/837067690.db2.gz XLOQKSGKUMYFMU-GHMZBOCLSA-N 0 3 358.393 -0.137 20 0 FBADHN COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001106365131 837067651 /nfs/dbraw/zinc/06/76/51/837067651.db2.gz AGEZDQFCNFWWTR-FRRDWIJNSA-N 0 3 352.439 -0.356 20 0 FBADHN COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001106365132 837067743 /nfs/dbraw/zinc/06/77/43/837067743.db2.gz AGEZDQFCNFWWTR-JHJVBQTASA-N 0 3 352.439 -0.356 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001106365222 837067840 /nfs/dbraw/zinc/06/78/40/837067840.db2.gz FBYXJOJIMPRCSQ-FRRDWIJNSA-N 0 3 350.423 -0.745 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001106365410 837067861 /nfs/dbraw/zinc/06/78/61/837067861.db2.gz QZMGOWHHJIAKQR-FRRDWIJNSA-N 0 3 350.423 -0.650 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001106365411 837068141 /nfs/dbraw/zinc/06/81/41/837068141.db2.gz QZMGOWHHJIAKQR-JHJVBQTASA-N 0 3 350.423 -0.650 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001106365749 837068715 /nfs/dbraw/zinc/06/87/15/837068715.db2.gz FBYXJOJIMPRCSQ-JHJVBQTASA-N 0 3 350.423 -0.745 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001106369961 837068586 /nfs/dbraw/zinc/06/85/86/837068586.db2.gz FDZQJKBYUZKHPQ-VXGBXAGGSA-N 0 3 350.423 -0.602 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001106370259 837068566 /nfs/dbraw/zinc/06/85/66/837068566.db2.gz KKMDUNXHIFXXOP-GMTAPVOTSA-N 0 3 351.411 -0.663 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001106370260 837068947 /nfs/dbraw/zinc/06/89/47/837068947.db2.gz KKMDUNXHIFXXOP-OUAUKWLOSA-N 0 3 351.411 -0.663 20 0 FBADHN CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001106370457 837068657 /nfs/dbraw/zinc/06/86/57/837068657.db2.gz OYHMHWNVHFZKHH-GHMZBOCLSA-N 0 3 351.411 -0.662 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001106370734 837068639 /nfs/dbraw/zinc/06/86/39/837068639.db2.gz XGRHVENOLHXNJG-JHJVBQTASA-N 0 3 350.423 -0.602 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001106370735 837068755 /nfs/dbraw/zinc/06/87/55/837068755.db2.gz XGRHVENOLHXNJG-UPJWGTAASA-N 0 3 350.423 -0.602 20 0 FBADHN C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001106389354 837071075 /nfs/dbraw/zinc/07/10/75/837071075.db2.gz LYHDSDNSELRZEO-CHWSQXEVSA-N 0 3 351.455 -0.162 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2ocnc2C)[C@H](C)C1 ZINC001106480877 837076720 /nfs/dbraw/zinc/07/67/20/837076720.db2.gz ISCFPCPUEKMJFB-ZYHUDNBSSA-N 0 3 359.452 -0.779 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2cnc(C)o2)[C@H](C)C1 ZINC001106481531 837077423 /nfs/dbraw/zinc/07/74/23/837077423.db2.gz TYFQWOZLFJUAOV-ZYHUDNBSSA-N 0 3 359.452 -0.779 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001106481548 837077547 /nfs/dbraw/zinc/07/75/47/837077547.db2.gz UMEDLQOCMJRACK-GHMZBOCLSA-N 0 3 361.493 -0.619 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2cc(C)no2)[C@H](C)C1 ZINC001106482044 837077646 /nfs/dbraw/zinc/07/76/46/837077646.db2.gz COYVYMRAJJHGCA-ZYHUDNBSSA-N 0 3 359.452 -0.779 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001106482673 837077353 /nfs/dbraw/zinc/07/73/53/837077353.db2.gz LEMUCEATQCVOTI-GHMZBOCLSA-N 0 3 361.493 -0.619 20 0 FBADHN Cc1nn[n-]c1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106511364 837078861 /nfs/dbraw/zinc/07/88/61/837078861.db2.gz GXTHOTZOQSBUSD-DGCLKSJQSA-N 0 3 350.423 -0.730 20 0 FBADHN CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[n-]nnc2C)C[C@H]1C ZINC001106511470 837078814 /nfs/dbraw/zinc/07/88/14/837078814.db2.gz IXPGTQPZJCFJOE-DGCLKSJQSA-N 0 3 352.439 -0.436 20 0 FBADHN COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[n-]nnc2C)C[C@H]1C ZINC001106511564 837078709 /nfs/dbraw/zinc/07/87/09/837078709.db2.gz LMYUDJZWEKLKCU-DGCLKSJQSA-N 0 3 352.439 -0.436 20 0 FBADHN CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[n-]nnc2C)C[C@H]1C ZINC001106511699 837078375 /nfs/dbraw/zinc/07/83/75/837078375.db2.gz SOWYFICFPNHJEV-MWLCHTKSSA-N 0 3 351.411 -0.743 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[n-]nnc2C)C[C@H]1C ZINC001106512119 837079708 /nfs/dbraw/zinc/07/97/08/837079708.db2.gz FVVSWDGHRFCOGG-DVVUODLYSA-N 0 3 351.411 -0.745 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[n-]nnc2C)C[C@H]1C ZINC001106512220 837080186 /nfs/dbraw/zinc/08/01/86/837080186.db2.gz FVVSWDGHRFCOGG-FBIMIBRVSA-N 0 3 351.411 -0.745 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106522346 837080224 /nfs/dbraw/zinc/08/02/24/837080224.db2.gz KFPHTZFRPAIXGD-GMTAPVOTSA-N 0 3 366.447 -0.703 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106522347 837079784 /nfs/dbraw/zinc/07/97/84/837079784.db2.gz KFPHTZFRPAIXGD-MXWKQRLJSA-N 0 3 366.447 -0.703 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106522432 837080203 /nfs/dbraw/zinc/08/02/03/837080203.db2.gz MXKBTBWLHOBKEX-GMTAPVOTSA-N 0 3 368.463 -0.328 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106522433 837079508 /nfs/dbraw/zinc/07/95/08/837079508.db2.gz MXKBTBWLHOBKEX-HBNTYKKESA-N 0 3 368.463 -0.328 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106567172 837083829 /nfs/dbraw/zinc/08/38/29/837083829.db2.gz YMHQLQAUBGMBGP-ZYHUDNBSSA-N 0 3 356.448 -0.167 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106567206 837084267 /nfs/dbraw/zinc/08/42/67/837084267.db2.gz ZMCVAGAPXMAMAE-ZYHUDNBSSA-N 0 3 371.463 -0.662 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106609770 837087664 /nfs/dbraw/zinc/08/76/64/837087664.db2.gz NNYMAFLRORMRSP-NXEZZACHSA-N 0 3 366.447 -0.574 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C)nn1C ZINC001106611738 837088127 /nfs/dbraw/zinc/08/81/27/837088127.db2.gz COVQABFMUWELBD-TZMCWYRMSA-N 0 3 371.507 -0.019 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1CNCc1nccn1C ZINC001106611902 837087856 /nfs/dbraw/zinc/08/78/56/837087856.db2.gz GLGARZKAOHTMRW-CHWSQXEVSA-N 0 3 357.480 -0.327 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C)[nH]1 ZINC001106612152 837087710 /nfs/dbraw/zinc/08/77/10/837087710.db2.gz NBEKIJGIELZTJZ-ZYHUDNBSSA-N 0 3 358.468 -0.634 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1CNCc1cnns1 ZINC001106612407 837088398 /nfs/dbraw/zinc/08/83/98/837088398.db2.gz VHRCWNJEGMUNFF-GHMZBOCLSA-N 0 3 361.493 -0.209 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001106612444 837087876 /nfs/dbraw/zinc/08/78/76/837087876.db2.gz XBDDAYULSUAMDA-CHWSQXEVSA-N 0 3 357.480 -0.327 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001106612447 837087922 /nfs/dbraw/zinc/08/79/22/837087922.db2.gz XBUHGFWQGPMPBW-VXGBXAGGSA-N 0 3 358.468 -0.932 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106643702 837090001 /nfs/dbraw/zinc/09/00/01/837090001.db2.gz AYZKTGFRFAUREF-IJLUTSLNSA-N 0 3 371.463 -0.178 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106643703 837089869 /nfs/dbraw/zinc/08/98/69/837089869.db2.gz AYZKTGFRFAUREF-UTUOFQBUSA-N 0 3 371.463 -0.178 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106668149 837091910 /nfs/dbraw/zinc/09/19/10/837091910.db2.gz FHPMRODLXODGIC-DBIOUOCHSA-N 0 3 366.447 -0.718 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106701376 837095094 /nfs/dbraw/zinc/09/50/94/837095094.db2.gz ANJXZNUFUCHUOZ-GMTAPVOTSA-N 0 3 361.493 -0.340 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106701377 837094537 /nfs/dbraw/zinc/09/45/37/837094537.db2.gz ANJXZNUFUCHUOZ-OUAUKWLOSA-N 0 3 361.493 -0.340 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C)[nH]1 ZINC001106702091 837095560 /nfs/dbraw/zinc/09/55/60/837095560.db2.gz UXELVODIEUMCRX-CKYFFXLPSA-N 0 3 358.468 -0.765 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C)[nH]1 ZINC001106702092 837095517 /nfs/dbraw/zinc/09/55/17/837095517.db2.gz UXELVODIEUMCRX-JFGNBEQYSA-N 0 3 358.468 -0.765 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106703172 837094566 /nfs/dbraw/zinc/09/45/66/837094566.db2.gz CYWLMUAZSJNZSE-FRRDWIJNSA-N 0 3 357.480 -0.458 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106703173 837094911 /nfs/dbraw/zinc/09/49/11/837094911.db2.gz CYWLMUAZSJNZSE-JHJVBQTASA-N 0 3 357.480 -0.458 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C)nn1C ZINC001106703310 837094378 /nfs/dbraw/zinc/09/43/78/837094378.db2.gz IBMIEAXDTKFNEF-KWCYVHTRSA-N 0 3 371.507 -0.150 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C)nn1C ZINC001106703311 837094474 /nfs/dbraw/zinc/09/44/74/837094474.db2.gz IBMIEAXDTKFNEF-MRVWCRGKSA-N 0 3 371.507 -0.150 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106703829 837097616 /nfs/dbraw/zinc/09/76/16/837097616.db2.gz XQABEXOFCDQLJO-FRRDWIJNSA-N 0 3 357.480 -0.458 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106703832 837097631 /nfs/dbraw/zinc/09/76/31/837097631.db2.gz XQABEXOFCDQLJO-JHJVBQTASA-N 0 3 357.480 -0.458 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1)C(N)=O ZINC001106735636 837106800 /nfs/dbraw/zinc/10/68/00/837106800.db2.gz FIGNHAKAHHSVFH-RTXFEEFZSA-N 0 3 367.475 -0.293 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1)C(N)=O ZINC001106736309 837106774 /nfs/dbraw/zinc/10/67/74/837106774.db2.gz MPFDMEOPGAYEEK-XWIASGKRSA-N 0 3 368.463 -0.898 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1)C(N)=O ZINC001106736422 837106562 /nfs/dbraw/zinc/10/65/62/837106562.db2.gz PCANPWOCBGZIBI-QKCSRTOESA-N 0 3 367.475 -0.293 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106742663 837107585 /nfs/dbraw/zinc/10/75/85/837107585.db2.gz LSQBDKLVORRGFE-GHMZBOCLSA-N 0 3 368.463 -0.361 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1CNCc1nccn1C ZINC001106743799 837107742 /nfs/dbraw/zinc/10/77/42/837107742.db2.gz ULMYAXWZYAHJSX-CHWSQXEVSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001106743820 837107766 /nfs/dbraw/zinc/10/77/66/837107766.db2.gz UZGPWVIIFDNPOK-CHWSQXEVSA-N 0 3 371.507 -0.068 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106761430 837110536 /nfs/dbraw/zinc/11/05/36/837110536.db2.gz LKMPYHOYPVORAJ-NXEZZACHSA-N 0 3 364.435 -0.397 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001106778203 837113358 /nfs/dbraw/zinc/11/33/58/837113358.db2.gz DMAMBGSOJQXRKM-VXGBXAGGSA-N 0 3 350.423 -0.602 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001106778826 837113035 /nfs/dbraw/zinc/11/30/35/837113035.db2.gz SYKRCHSSYNNUTH-GMTAPVOTSA-N 0 3 351.411 -0.663 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001106778827 837113404 /nfs/dbraw/zinc/11/34/04/837113404.db2.gz SYKRCHSSYNNUTH-OUAUKWLOSA-N 0 3 351.411 -0.663 20 0 FBADHN CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001106779421 837113341 /nfs/dbraw/zinc/11/33/41/837113341.db2.gz NUHUSFIJAVJEQG-GHMZBOCLSA-N 0 3 351.411 -0.662 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001106779930 837114397 /nfs/dbraw/zinc/11/43/97/837114397.db2.gz YMZVQFGSTVZAQR-JHJVBQTASA-N 0 3 350.423 -0.602 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001106779931 837114161 /nfs/dbraw/zinc/11/41/61/837114161.db2.gz YMZVQFGSTVZAQR-UPJWGTAASA-N 0 3 350.423 -0.602 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106779949 837114035 /nfs/dbraw/zinc/11/40/35/837114035.db2.gz ZLFAPOTYQBVVDX-RKDXNWHRSA-N 0 3 350.408 -0.407 20 0 FBADHN Cc1nnc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3nc[n-]n3)C[C@H]2C)s1 ZINC001106779950 837114212 /nfs/dbraw/zinc/11/42/12/837114212.db2.gz ZLUHCHCBRZSSMA-PSASIEDQSA-N 0 3 364.435 -0.099 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001106782078 837112990 /nfs/dbraw/zinc/11/29/90/837112990.db2.gz NRBCFNCZVCXSKD-FRRDWIJNSA-N 0 3 350.423 -0.650 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001106782081 837112866 /nfs/dbraw/zinc/11/28/66/837112866.db2.gz NRBCFNCZVCXSKD-JHJVBQTASA-N 0 3 350.423 -0.650 20 0 FBADHN COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001106782240 837113262 /nfs/dbraw/zinc/11/32/62/837113262.db2.gz RLNASRXNBWCLDM-FRRDWIJNSA-N 0 3 352.439 -0.356 20 0 FBADHN COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001106782242 837113113 /nfs/dbraw/zinc/11/31/13/837113113.db2.gz RLNASRXNBWCLDM-JHJVBQTASA-N 0 3 352.439 -0.356 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001106782330 837112921 /nfs/dbraw/zinc/11/29/21/837112921.db2.gz STKYWYYSSHAMEB-FRRDWIJNSA-N 0 3 350.423 -0.745 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001106782332 837114124 /nfs/dbraw/zinc/11/41/24/837114124.db2.gz STKYWYYSSHAMEB-JHJVBQTASA-N 0 3 350.423 -0.745 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106785162 837115354 /nfs/dbraw/zinc/11/53/54/837115354.db2.gz YIXKIPZVPDTHTQ-RKDXNWHRSA-N 0 3 351.392 -0.143 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]2C)[nH]1 ZINC001106812953 837119399 /nfs/dbraw/zinc/11/93/99/837119399.db2.gz JDCRBJKJKXEIIY-PSASIEDQSA-N 0 3 362.356 -0.024 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1CNCc1cn(C)nn1 ZINC001106813341 837120513 /nfs/dbraw/zinc/12/05/13/837120513.db2.gz ZHKABXZJWRJDMG-NXEZZACHSA-N 0 3 362.356 -0.322 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106822032 837123216 /nfs/dbraw/zinc/12/32/16/837123216.db2.gz DCCFAMOUYHXEOG-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106822312 837121503 /nfs/dbraw/zinc/12/15/03/837121503.db2.gz ICPMYOTWKHMBJS-ZIAGYGMSSA-N 0 3 371.507 -0.114 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106898222 837151856 /nfs/dbraw/zinc/15/18/56/837151856.db2.gz YSYSXTXKIANOLD-MXWKQRLJSA-N 0 3 366.447 -0.561 20 0 FBADHN CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106925779 837190102 /nfs/dbraw/zinc/19/01/02/837190102.db2.gz XWJDKJXZJKKCHK-YRGRVCCFSA-N 0 3 351.455 -0.164 20 0 FBADHN Cc1cc(CNC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]2C)nn1C ZINC001106934101 837192182 /nfs/dbraw/zinc/19/21/82/837192182.db2.gz OBPJYZSTVVWYOK-TZMCWYRMSA-N 0 3 371.507 -0.196 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001106934196 837191967 /nfs/dbraw/zinc/19/19/67/837191967.db2.gz QQDJHKMXJAWPEN-CHWSQXEVSA-N 0 3 357.480 -0.504 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CNCc1nccn1C ZINC001106934357 837191558 /nfs/dbraw/zinc/19/15/58/837191558.db2.gz TYQJGZZMZBKOIO-CHWSQXEVSA-N 0 3 357.480 -0.504 20 0 FBADHN CCn1ccnc1CNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001106934375 837191625 /nfs/dbraw/zinc/19/16/25/837191625.db2.gz UWCMCZZJDFGALU-ZIAGYGMSSA-N 0 3 371.507 -0.022 20 0 FBADHN CCn1ccc(CNC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]2C)n1 ZINC001106935028 837191510 /nfs/dbraw/zinc/19/15/10/837191510.db2.gz GDWMTWBQGKXWKO-ZIAGYGMSSA-N 0 3 371.507 -0.022 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CNCc1cnns1 ZINC001106935601 837191942 /nfs/dbraw/zinc/19/19/42/837191942.db2.gz SCRTZWYCBJQHJU-GHMZBOCLSA-N 0 3 361.493 -0.386 20 0 FBADHN Cc1nnc(CNC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]2C)[nH]1 ZINC001106935784 837192111 /nfs/dbraw/zinc/19/21/11/837192111.db2.gz ZHTWVOWZXVORAC-ZYHUDNBSSA-N 0 3 358.468 -0.811 20 0 FBADHN C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106964454 837196142 /nfs/dbraw/zinc/19/61/42/837196142.db2.gz DLUJBVXMERMKAW-NXEZZACHSA-N 0 3 369.451 -0.781 20 0 FBADHN CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001106964777 837196954 /nfs/dbraw/zinc/19/69/54/837196954.db2.gz HZSKELUTKPICEW-DGCLKSJQSA-N 0 3 351.455 -0.151 20 0 FBADHN CCc1nnc(CNC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C)n1C ZINC001106964935 837197465 /nfs/dbraw/zinc/19/74/65/837197465.db2.gz KBVJVECBJNQOFS-VXGBXAGGSA-N 0 3 351.455 -0.380 20 0 FBADHN COc1nccc(CNC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C)n1 ZINC001106965508 837196931 /nfs/dbraw/zinc/19/69/31/837196931.db2.gz ZIKJMFGQVYZJFN-VXGBXAGGSA-N 0 3 350.423 -0.272 20 0 FBADHN COc1cncc(CNC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C)n1 ZINC001106966437 837199280 /nfs/dbraw/zinc/19/92/80/837199280.db2.gz SDEBBRCXFLAGLK-VXGBXAGGSA-N 0 3 350.423 -0.272 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](CNCc2ccnc(OC)n2)[C@H](C)C1 ZINC001106994594 837208258 /nfs/dbraw/zinc/20/82/58/837208258.db2.gz OLFOWQXMZZITKV-VXGBXAGGSA-N 0 3 371.463 -0.782 20 0 FBADHN CCn1ccnc1CNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001106995084 837208350 /nfs/dbraw/zinc/20/83/50/837208350.db2.gz VPVNCNMXQQVTGV-CHWSQXEVSA-N 0 3 357.480 -0.364 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](CN[C@@H](C)c2nncn2C)[C@H](C)C1 ZINC001106995766 837208757 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ZINC001110576370 841725219 /nfs/dbraw/zinc/72/52/19/841725219.db2.gz FJHSOBUJETWWLW-LOWDOPEQSA-N 0 3 350.423 -0.741 20 0 FBADHN C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001110576371 841725012 /nfs/dbraw/zinc/72/50/12/841725012.db2.gz FJHSOBUJETWWLW-LPWJVIDDSA-N 0 3 350.423 -0.741 20 0 FBADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1ccoc1)C2 ZINC001110590255 841732135 /nfs/dbraw/zinc/73/21/35/841732135.db2.gz ZVBMTJWVEARFEH-BARDWOONSA-N 0 3 351.403 -0.262 20 0 FBADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1ccoc1)C2 ZINC001110590256 841731611 /nfs/dbraw/zinc/73/16/11/841731611.db2.gz ZVBMTJWVEARFEH-TUVASFSCSA-N 0 3 351.403 -0.262 20 0 FBADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001110601165 841733393 /nfs/dbraw/zinc/73/33/93/841733393.db2.gz MJZQJQLRSALCCN-BARDWOONSA-N 0 3 353.423 -0.977 20 0 FBADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001110601166 841733018 /nfs/dbraw/zinc/73/30/18/841733018.db2.gz MJZQJQLRSALCCN-TUVASFSCSA-N 0 3 353.423 -0.977 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001110615042 841734300 /nfs/dbraw/zinc/73/43/00/841734300.db2.gz CADQZVKCLGWXRJ-LPWJVIDDSA-N 0 3 357.430 -0.417 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001110615043 841734694 /nfs/dbraw/zinc/73/46/94/841734694.db2.gz CADQZVKCLGWXRJ-XQHKEYJVSA-N 0 3 357.430 -0.417 20 0 FBADHN Cn1cc(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCNS(C)(=O)=O)C3)cn1 ZINC001110618784 841736299 /nfs/dbraw/zinc/73/62/99/841736299.db2.gz AWXQGLFKYCMWRR-KFWWJZLASA-N 0 3 369.491 -0.377 20 0 FBADHN Cn1nccc1CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001110618788 841735822 /nfs/dbraw/zinc/73/58/22/841735822.db2.gz BBTVWWMJDZCMJL-KFWWJZLASA-N 0 3 369.491 -0.377 20 0 FBADHN CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C)S(C)(=O)=O ZINC001110619046 841737575 /nfs/dbraw/zinc/73/75/75/841737575.db2.gz PHXVDIJIPCNLCK-KFWWJZLASA-N 0 3 369.491 -0.425 20 0 FBADHN CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(C)c1)S(C)(=O)=O ZINC001110619492 841737165 /nfs/dbraw/zinc/73/71/65/841737165.db2.gz WXXPFBXWVPCFQS-KFWWJZLASA-N 0 3 369.491 -0.425 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(C)c1 ZINC001110620699 841738898 /nfs/dbraw/zinc/73/88/98/841738898.db2.gz OQPWAHMPOWFWFF-KFWWJZLASA-N 0 3 369.491 -0.377 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C ZINC001110620795 841739817 /nfs/dbraw/zinc/73/98/17/841739817.db2.gz ULYQVMDKOOMZEG-KFWWJZLASA-N 0 3 369.491 -0.377 20 0 FBADHN CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C2 ZINC001110625496 841742400 /nfs/dbraw/zinc/74/24/00/841742400.db2.gz AMSTXTWUIQVZCR-MCIONIFRSA-N 0 3 350.419 -0.695 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001110626875 841742878 /nfs/dbraw/zinc/74/28/78/841742878.db2.gz WCZATCGEBRTMGR-MQYQWHSLSA-N 0 3 351.451 -0.223 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001110626876 841742378 /nfs/dbraw/zinc/74/23/78/841742378.db2.gz WCZATCGEBRTMGR-YIYPIFLZSA-N 0 3 351.451 -0.223 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001110631595 841743723 /nfs/dbraw/zinc/74/37/23/841743723.db2.gz FGUVAHHKECVOGK-MCIONIFRSA-N 0 3 351.451 -0.351 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(C)C ZINC001110631608 841743615 /nfs/dbraw/zinc/74/36/15/841743615.db2.gz FQLZVKYZTPLBKY-BARDWOONSA-N 0 3 356.467 -0.330 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(C)C ZINC001110631609 841743410 /nfs/dbraw/zinc/74/34/10/841743410.db2.gz FQLZVKYZTPLBKY-TUVASFSCSA-N 0 3 356.467 -0.330 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO[C@H]1CCOC1 ZINC001110631976 841743474 /nfs/dbraw/zinc/74/34/74/841743474.db2.gz XHRJHVFUIODWSE-BARDWOONSA-N 0 3 354.451 -0.168 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1 ZINC001110631977 841743774 /nfs/dbraw/zinc/74/37/74/841743774.db2.gz XHRJHVFUIODWSE-TUVASFSCSA-N 0 3 354.451 -0.168 20 0 FBADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001110663807 841748106 /nfs/dbraw/zinc/74/81/06/841748106.db2.gz AJMZKNROTCVXSG-UPJWGTAASA-N 0 3 351.451 -0.352 20 0 FBADHN CN(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)CCC1 ZINC001110664956 841747578 /nfs/dbraw/zinc/74/75/78/841747578.db2.gz GBVSVEGTFPAJGH-MCIONIFRSA-N 0 3 358.508 -0.259 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001110665346 841748152 /nfs/dbraw/zinc/74/81/52/841748152.db2.gz QPDODKBJYGJXJO-LOWDOPEQSA-N 0 3 351.451 -0.224 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001110665348 841747987 /nfs/dbraw/zinc/74/79/87/841747987.db2.gz QPDODKBJYGJXJO-LPWJVIDDSA-N 0 3 351.451 -0.224 20 0 FBADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N(C)C)C2 ZINC001110666284 841747893 /nfs/dbraw/zinc/74/78/93/841747893.db2.gz GGSKXTWMMVWSSW-CXTNEJHOSA-N 0 3 351.451 -0.496 20 0 FBADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001110666285 841747611 /nfs/dbraw/zinc/74/76/11/841747611.db2.gz GGSKXTWMMVWSSW-GUIRCDHDSA-N 0 3 351.451 -0.496 20 0 FBADHN CN(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O)C1CC1 ZINC001110666331 841747641 /nfs/dbraw/zinc/74/76/41/841747641.db2.gz HQCNTTOWQUXLCW-LVQVYYBASA-N 0 3 372.535 -0.061 20 0 FBADHN CN(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O)C1CC1 ZINC001110666332 841747515 /nfs/dbraw/zinc/74/75/15/841747515.db2.gz HQCNTTOWQUXLCW-WCVJEAGWSA-N 0 3 372.535 -0.061 20 0 FBADHN CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001110667769 841747915 /nfs/dbraw/zinc/74/79/15/841747915.db2.gz JZURZDMZAXXSAO-LVQVYYBASA-N 0 3 372.535 -0.013 20 0 FBADHN CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N(C)C)C2 ZINC001110667770 841747483 /nfs/dbraw/zinc/74/74/83/841747483.db2.gz JZURZDMZAXXSAO-WCVJEAGWSA-N 0 3 372.535 -0.013 20 0 FBADHN CN(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O)C1CC1 ZINC001110668030 841748134 /nfs/dbraw/zinc/74/81/34/841748134.db2.gz UAMAGQMWMRNIBX-APIJFGDWSA-N 0 3 358.508 -0.403 20 0 FBADHN CN(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O)C1CC1 ZINC001110668031 841747778 /nfs/dbraw/zinc/74/77/78/841747778.db2.gz UAMAGQMWMRNIBX-KBXIAJHMSA-N 0 3 358.508 -0.403 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C1CCC1)C2 ZINC001110670869 841747743 /nfs/dbraw/zinc/74/77/43/841747743.db2.gz HPVMLCUEZVPOSY-ASEORRQLSA-N 0 3 351.451 -0.224 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C1CCC1)C2 ZINC001110670870 841747965 /nfs/dbraw/zinc/74/79/65/841747965.db2.gz HPVMLCUEZVPOSY-ZRJCITRHSA-N 0 3 351.451 -0.224 20 0 FBADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C1CCC1)C2 ZINC001110673779 841748048 /nfs/dbraw/zinc/74/80/48/841748048.db2.gz ROMRKXGUXGSTBD-MCIONIFRSA-N 0 3 351.451 -0.352 20 0 FBADHN CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O)C1CCC1 ZINC001110673939 841747431 /nfs/dbraw/zinc/74/74/31/841747431.db2.gz ZSMPBUKIHTVMAV-KFWWJZLASA-N 0 3 358.508 -0.259 20 0 FBADHN CC(C)COCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001110677886 841747838 /nfs/dbraw/zinc/74/78/38/841747838.db2.gz FIOATDKUTDTXBM-MQYQWHSLSA-N 0 3 352.435 -0.021 20 0 FBADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCC1CC1 ZINC001110678179 841747549 /nfs/dbraw/zinc/74/75/49/841747549.db2.gz LZPJCLZXCLCCKD-MQYQWHSLSA-N 0 3 350.419 -0.267 20 0 FBADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110693514 841750122 /nfs/dbraw/zinc/75/01/22/841750122.db2.gz MBKNHKDSBLJINI-CXTNEJHOSA-N 0 3 353.467 -0.250 20 0 FBADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001110694512 841750056 /nfs/dbraw/zinc/75/00/56/841750056.db2.gz FJSCEAWSZNLBKS-RQJABVFESA-N 0 3 357.451 -0.757 20 0 FBADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(N)=O)C2 ZINC001110694513 841750329 /nfs/dbraw/zinc/75/03/29/841750329.db2.gz FJSCEAWSZNLBKS-SYQHCUMBSA-N 0 3 357.451 -0.757 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O)N(C)C ZINC001110694733 841750451 /nfs/dbraw/zinc/75/04/51/841750451.db2.gz JEOQJURXTXUJJO-KBXIAJHMSA-N 0 3 360.524 -0.157 20 0 FBADHN COCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC ZINC001110700053 841752798 /nfs/dbraw/zinc/75/27/98/841752798.db2.gz WVUBFYXBYJKUPQ-BARDWOONSA-N 0 3 352.435 -0.128 20 0 FBADHN COCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001110700054 841752310 /nfs/dbraw/zinc/75/23/10/841752310.db2.gz WVUBFYXBYJKUPQ-TUVASFSCSA-N 0 3 352.435 -0.128 20 0 FBADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1nccn1C)C2 ZINC001110701382 841752519 /nfs/dbraw/zinc/75/25/19/841752519.db2.gz MVMIFGJJTAGYBE-BARDWOONSA-N 0 3 352.435 -0.335 20 0 FBADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1nccn1C)C2 ZINC001110701383 841752609 /nfs/dbraw/zinc/75/26/09/841752609.db2.gz MVMIFGJJTAGYBE-TUVASFSCSA-N 0 3 352.435 -0.335 20 0 FBADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)C2 ZINC001110704384 841752567 /nfs/dbraw/zinc/75/25/67/841752567.db2.gz QBHFTBUPIJCYJQ-RQJABVFESA-N 0 3 350.419 -0.271 20 0 FBADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)C2 ZINC001110704385 841752878 /nfs/dbraw/zinc/75/28/78/841752878.db2.gz QBHFTBUPIJCYJQ-SYQHCUMBSA-N 0 3 350.419 -0.271 20 0 FBADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ccnn1C)C2 ZINC001110708224 841754130 /nfs/dbraw/zinc/75/41/30/841754130.db2.gz RGCHOOUCSXQNDE-BVUBDWEXSA-N 0 3 352.435 -0.335 20 0 FBADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ccnn1C)C2 ZINC001110708225 841753831 /nfs/dbraw/zinc/75/38/31/841753831.db2.gz RGCHOOUCSXQNDE-MIGQKNRLSA-N 0 3 352.435 -0.335 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)CC)N(C)C ZINC001110711503 841754088 /nfs/dbraw/zinc/75/40/88/841754088.db2.gz APLDSDUGDNKZJS-TUVASFSCSA-N 0 3 360.524 -0.013 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O)N(C)C ZINC001110711678 841754270 /nfs/dbraw/zinc/75/42/70/841754270.db2.gz JWHQAFLTMSASEZ-SYQHCUMBSA-N 0 3 351.451 -0.400 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O)N(C)C ZINC001110714947 841753734 /nfs/dbraw/zinc/75/37/34/841753734.db2.gz LYEUUPZYBHMOAU-TUVASFSCSA-N 0 3 360.524 -0.061 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1)N(C)C ZINC001110715070 841754070 /nfs/dbraw/zinc/75/40/70/841754070.db2.gz OHYBERGFILFJCX-FPCVCCKLSA-N 0 3 352.479 -0.093 20 0 FBADHN CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)N(C)C)C2 ZINC001110715354 841754171 /nfs/dbraw/zinc/75/41/71/841754171.db2.gz VSCGUBXPGPBLEF-SYQHCUMBSA-N 0 3 353.467 -0.106 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001110734876 841756063 /nfs/dbraw/zinc/75/60/63/841756063.db2.gz 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842024199 /nfs/dbraw/zinc/02/41/99/842024199.db2.gz RRQDBWWIEQAVHA-KFWWJZLASA-N 0 3 369.491 -0.247 20 0 FBADHN CN(CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NC(=O)N(C)C1)C2)S(C)(=O)=O ZINC001110979063 842027780 /nfs/dbraw/zinc/02/77/80/842027780.db2.gz PWLUSEIZGOFQIK-WZRBSPASSA-N 0 3 371.463 -0.648 20 0 FBADHN CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001110989870 842028607 /nfs/dbraw/zinc/02/86/07/842028607.db2.gz ZDKGSHLGXFCFIM-IEBDPFPHSA-N 0 3 352.370 -0.270 20 0 FBADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110993092 842030087 /nfs/dbraw/zinc/03/00/87/842030087.db2.gz MBKNHKDSBLJINI-GUIRCDHDSA-N 0 3 353.467 -0.250 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001110994023 842030241 /nfs/dbraw/zinc/03/02/41/842030241.db2.gz KZBPQRFSSQPIHL-OYBPUVFXSA-N 0 3 352.370 -0.272 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001110994024 842030150 /nfs/dbraw/zinc/03/01/50/842030150.db2.gz KZBPQRFSSQPIHL-URPMGSGRSA-N 0 3 352.370 -0.272 20 0 FBADHN CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001110994294 842030478 /nfs/dbraw/zinc/03/04/78/842030478.db2.gz XFIIMAFIGKKOCY-JLLWLGSASA-N 0 3 359.427 -0.177 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O)N(C)C ZINC001110994838 842030568 /nfs/dbraw/zinc/03/05/68/842030568.db2.gz JEOQJURXTXUJJO-APIJFGDWSA-N 0 3 360.524 -0.157 20 0 FBADHN C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN(C)S(C)(=O)=O)C1 ZINC001111020483 842031989 /nfs/dbraw/zinc/03/19/89/842031989.db2.gz CSJWHWXTUXHFBO-FPCVCCKLSA-N 0 3 372.535 -0.059 20 0 FBADHN C[C@H]1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN(C)S(C)(=O)=O)C1 ZINC001111020486 842031561 /nfs/dbraw/zinc/03/15/61/842031561.db2.gz CSJWHWXTUXHFBO-JJXSEGSLSA-N 0 3 372.535 -0.059 20 0 FBADHN C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)C1 ZINC001111020974 842031301 /nfs/dbraw/zinc/03/13/01/842031301.db2.gz 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CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)CC)N(C)C ZINC001111036931 842033794 /nfs/dbraw/zinc/03/37/94/842033794.db2.gz APLDSDUGDNKZJS-KBXIAJHMSA-N 0 3 360.524 -0.013 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O)N(C)C ZINC001111037085 842033603 /nfs/dbraw/zinc/03/36/03/842033603.db2.gz JWHQAFLTMSASEZ-MQYQWHSLSA-N 0 3 351.451 -0.400 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O)N(C)C ZINC001111037134 842033457 /nfs/dbraw/zinc/03/34/57/842033457.db2.gz LYEUUPZYBHMOAU-KBXIAJHMSA-N 0 3 360.524 -0.061 20 0 FBADHN CN(CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2)S(C)(=O)=O ZINC001111044718 842033518 /nfs/dbraw/zinc/03/35/18/842033518.db2.gz JZXABGKMLQPGHX-MCIONIFRSA-N 0 3 370.479 -0.650 20 0 FBADHN O=C(CCc1cnn[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCS(=O)(=O)C1 ZINC001111046496 842033895 /nfs/dbraw/zinc/03/38/95/842033895.db2.gz PSOFBCSATBHXKD-MYPMTAMASA-N 0 3 367.475 -0.107 20 0 FBADHN 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FBADHN COC[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CNC1=O)C2 ZINC001111658934 842783535 /nfs/dbraw/zinc/78/35/35/842783535.db2.gz VONIWBINWMZQOF-IGCXYCKISA-N 0 3 352.435 -0.209 20 0 FBADHN CCC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111664694 842782646 /nfs/dbraw/zinc/78/26/46/842782646.db2.gz LNTAYWFHWXEEQM-GUYCJALGSA-N 0 3 351.451 -0.492 20 0 FBADHN COCCOCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111671985 842784841 /nfs/dbraw/zinc/78/48/41/842784841.db2.gz SBFNPHSPFBSIHA-YOEHRIQHSA-N 0 3 354.451 -0.355 20 0 FBADHN COCCOCCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001111678516 839638128 /nfs/dbraw/zinc/63/81/28/839638128.db2.gz IODCVLCPLBJHPF-BQFCYCMXSA-N 0 3 355.479 -0.049 20 0 FBADHN COCCOCCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001111678517 839637609 /nfs/dbraw/zinc/63/76/09/839637609.db2.gz IODCVLCPLBJHPF-JZXOWHBKSA-N 0 3 355.479 -0.049 20 0 FBADHN CC(C)(C)NC(=O)NCCN1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 ZINC001111679988 839709527 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CNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(CCNC(=O)NC(C)C)C2 ZINC001111722597 842786909 /nfs/dbraw/zinc/78/69/09/842786909.db2.gz NTXNMRGLCQYUNQ-GUYCJALGSA-N 0 3 353.467 -0.199 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N[C@]12CCC[C@H]1CN(CCN1CCCC1=O)C2 ZINC001111723336 842787806 /nfs/dbraw/zinc/78/78/06/842787806.db2.gz BEJROGLSSWDFHX-DCGLDWPTSA-N 0 3 351.451 -0.364 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111723475 842788118 /nfs/dbraw/zinc/78/81/18/842788118.db2.gz HVWVFOGZGSXIIO-MKBNYLNASA-N 0 3 352.439 -0.961 20 0 FBADHN CC(C)(O)CC(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CNC1=O)C2 ZINC001111733194 842788063 /nfs/dbraw/zinc/78/80/63/842788063.db2.gz WMOXNSBYNJDPST-SJCJKPOMSA-N 0 3 352.435 -0.330 20 0 FBADHN CC(C)[C@@H](O)C(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CNC1=O)C2 ZINC001111734712 842788995 /nfs/dbraw/zinc/78/89/95/842788995.db2.gz PAYFTIVBOFMUAH-QEORTHHSSA-N 0 3 352.435 -0.474 20 0 FBADHN Cc1nc(CC(=O)N[C@]23CCC[C@H]2CN(CCNS(C)(=O)=O)C3)n[nH]1 ZINC001111738076 842789182 /nfs/dbraw/zinc/78/91/82/842789182.db2.gz XMRKVCKSBDGBKJ-WFASDCNBSA-N 0 3 370.479 -0.824 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111748606 842790927 /nfs/dbraw/zinc/79/09/27/842790927.db2.gz FXJVYQQMPFVNIF-ZFWWWQNUSA-N 0 3 370.479 -0.812 20 0 FBADHN O=C(Cn1ncnn1)N[C@]12CCC[C@H]1CN(C[C@@H](O)CC(F)(F)F)C2 ZINC001111751162 836088654 /nfs/dbraw/zinc/08/86/54/836088654.db2.gz KLYPHEVVIDOIOM-GVXVVHGQSA-N 0 3 362.356 -0.043 20 0 FBADHN O=C(Cn1ncnn1)N[C@]12CCC[C@H]1CN(C[C@H](O)CC(F)(F)F)C2 ZINC001111751163 836088360 /nfs/dbraw/zinc/08/83/60/836088360.db2.gz KLYPHEVVIDOIOM-LOWVWBTDSA-N 0 3 362.356 -0.043 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111768012 842794100 /nfs/dbraw/zinc/79/41/00/842794100.db2.gz KHOUHDNMINUERW-ZFWWWQNUSA-N 0 3 370.479 -0.812 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111768176 842793632 /nfs/dbraw/zinc/79/36/32/842793632.db2.gz UIXXAFFZKGOBKJ-ZFWWWQNUSA-N 0 3 370.479 -0.812 20 0 FBADHN CN(CC(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2)S(C)(=O)=O ZINC001111769037 836033116 /nfs/dbraw/zinc/03/31/16/836033116.db2.gz LMGXJVFLMKLOJR-ZFWWWQNUSA-N 0 3 370.479 -0.860 20 0 FBADHN CCCC[C@H](C(N)=O)N1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)NC)C1 ZINC001111771349 842796140 /nfs/dbraw/zinc/79/61/40/842796140.db2.gz BBMBNIWHBOXQCY-AHIWAGSCSA-N 0 3 353.467 -0.070 20 0 FBADHN CCCC[C@@H](C(N)=O)N1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)NC)C1 ZINC001111771351 842796170 /nfs/dbraw/zinc/79/61/70/842796170.db2.gz BBMBNIWHBOXQCY-DCGLDWPTSA-N 0 3 353.467 -0.070 20 0 FBADHN CNC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCCC1=O)C2 ZINC001111771367 836040539 /nfs/dbraw/zinc/04/05/39/836040539.db2.gz BPCWALKOXPQNHA-GUYCJALGSA-N 0 3 351.451 -0.492 20 0 FBADHN CS(=O)(=O)NCCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2cnc[nH]2)C1 ZINC001111773761 842796049 /nfs/dbraw/zinc/79/60/49/842796049.db2.gz NMRJODHULQXYKJ-BBRMVZONSA-N 0 3 369.491 -0.138 20 0 FBADHN O=C(N[C@]12CCC[C@H]1CN(CCOCCO)C2)c1cc2n(n1)CCO2 ZINC001111777163 842795161 /nfs/dbraw/zinc/79/51/61/842795161.db2.gz RMKITTJZWKBLHV-GUYCJALGSA-N 0 3 350.419 -0.131 20 0 FBADHN CN(CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2)C1CCC1 ZINC001111779184 842795712 /nfs/dbraw/zinc/79/57/12/842795712.db2.gz YDWXGVKJRNAQEI-SJCJKPOMSA-N 0 3 351.451 -0.364 20 0 FBADHN CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(CCNS(C)(=O)=O)C2)N(C)C ZINC001111788452 842797135 /nfs/dbraw/zinc/79/71/35/842797135.db2.gz CKFMOVYEIGPSSB-LZWOXQAQSA-N 0 3 360.524 -0.154 20 0 FBADHN CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2)[NH+](C)C ZINC001111789158 842796734 /nfs/dbraw/zinc/79/67/34/842796734.db2.gz AKVOJWJAQZPYSC-AHIWAGSCSA-N 0 3 350.467 -0.081 20 0 FBADHN CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(=O)NC)C2)N(C)C ZINC001111789235 842797017 /nfs/dbraw/zinc/79/70/17/842797017.db2.gz HBPCKMIERGVJOV-AHIWAGSCSA-N 0 3 353.467 -0.247 20 0 FBADHN CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001111793026 842798641 /nfs/dbraw/zinc/79/86/41/842798641.db2.gz ZTXXYFNJDLLZBU-VBQJREDUSA-N 0 3 356.442 -0.043 20 0 FBADHN CN(CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn[nH]n2)C1)S(C)(=O)=O ZINC001111796094 842799593 /nfs/dbraw/zinc/79/95/93/842799593.db2.gz UCMNRFYIHJWGFI-FZMZJTMJSA-N 0 3 356.452 -0.720 20 0 FBADHN O=C(NCC(F)F)C(=O)N[C@]12CCC[C@H]1CN([C@H]1CCCNC1=O)C2 ZINC001111796102 842800280 /nfs/dbraw/zinc/80/02/80/842800280.db2.gz UPFOPCSZNCICTG-MMPTUQATSA-N 0 3 358.389 -0.383 20 0 FBADHN O=C(NCC(F)F)C(=O)N[C@]12CCC[C@H]1CN([C@@H]1CCCNC1=O)C2 ZINC001111796103 842800031 /nfs/dbraw/zinc/80/00/31/842800031.db2.gz UPFOPCSZNCICTG-USBNGQNGSA-N 0 3 358.389 -0.383 20 0 FBADHN CN1CC[C@H](N2C[C@@H]3CCC[C@]3(NC(=O)C(=O)NCC(F)F)C2)C1=O ZINC001111796991 842799975 /nfs/dbraw/zinc/79/99/75/842799975.db2.gz RGCPPNDQLJDCFA-MMPTUQATSA-N 0 3 358.389 -0.431 20 0 FBADHN CN1CC[C@@H](N2C[C@@H]3CCC[C@]3(NC(=O)C(=O)NCC(F)F)C2)C1=O ZINC001111796992 842800108 /nfs/dbraw/zinc/80/01/08/842800108.db2.gz RGCPPNDQLJDCFA-USBNGQNGSA-N 0 3 358.389 -0.431 20 0 FBADHN NC(=O)c1ccc(C(=O)N[C@]23CCC[C@H]2CN(CCOCCO)C3)o1 ZINC001111803097 842799833 /nfs/dbraw/zinc/79/98/33/842799833.db2.gz KLIAWWOUXAXBBL-SJCJKPOMSA-N 0 3 351.403 -0.028 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001111803301 842801221 /nfs/dbraw/zinc/80/12/21/842801221.db2.gz SZEASASLXZAPHO-JKDFXYPNSA-N 0 3 351.403 -0.030 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001111803302 842801951 /nfs/dbraw/zinc/80/19/51/842801951.db2.gz SZEASASLXZAPHO-PRXAMGSTSA-N 0 3 351.403 -0.030 20 0 FBADHN Cc1cncn1CC(=O)N[C@]12CCC[C@H]1CN(CCNS(C)(=O)=O)C2 ZINC001111808071 842801189 /nfs/dbraw/zinc/80/11/89/842801189.db2.gz VIXKJZNOJHZDRO-HOCLYGCPSA-N 0 3 369.491 -0.289 20 0 FBADHN NC(=O)c1cc(C(=O)N[C@]23CCC[C@H]2CN(CCOCCO)C3)co1 ZINC001111816892 842800999 /nfs/dbraw/zinc/80/09/99/842800999.db2.gz CVALUOHOYBTSGD-GUYCJALGSA-N 0 3 351.403 -0.028 20 0 FBADHN CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)NC)C1 ZINC001111821081 835983015 /nfs/dbraw/zinc/98/30/15/835983015.db2.gz JUCVAPUJLYPXQP-OBJOEFQTSA-N 0 3 350.460 -0.241 20 0 FBADHN CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)NC)C1 ZINC001111821082 835982568 /nfs/dbraw/zinc/98/25/68/835982568.db2.gz JUCVAPUJLYPXQP-SCRDCRAPSA-N 0 3 350.460 -0.241 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111833400 842805495 /nfs/dbraw/zinc/80/54/95/842805495.db2.gz SAGPHWSXPGJZEW-DCGLDWPTSA-N 0 3 351.451 -0.506 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111833401 842804374 /nfs/dbraw/zinc/80/43/74/842804374.db2.gz SAGPHWSXPGJZEW-IGCXYCKISA-N 0 3 351.451 -0.506 20 0 FBADHN Cn1cc(OCC(=O)N[C@]23CCC[C@H]2CN(CCOCCO)C3)cn1 ZINC001111854415 842805270 /nfs/dbraw/zinc/80/52/70/842805270.db2.gz PUGICFWPLVHAQT-YOEHRIQHSA-N 0 3 352.435 -0.222 20 0 FBADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN(C[C@@H](O)COCc1ccco1)C2 ZINC001111856951 842807214 /nfs/dbraw/zinc/80/72/14/842807214.db2.gz ONBKAAMCQLKMOE-AHIWAGSCSA-N 0 3 351.403 -0.387 20 0 FBADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN(C[C@H](O)COCc1ccco1)C2 ZINC001111856952 842807100 /nfs/dbraw/zinc/80/71/00/842807100.db2.gz ONBKAAMCQLKMOE-DCGLDWPTSA-N 0 3 351.403 -0.387 20 0 FBADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN(C[C@@H](O)COCC(F)(F)F)C2 ZINC001111857199 842806426 /nfs/dbraw/zinc/80/64/26/842806426.db2.gz ZXWUDERXGOWUEP-CWSCBRNRSA-N 0 3 353.341 -0.618 20 0 FBADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN(C[C@H](O)COCC(F)(F)F)C2 ZINC001111857200 842806329 /nfs/dbraw/zinc/80/63/29/842806329.db2.gz ZXWUDERXGOWUEP-KWBADKCTSA-N 0 3 353.341 -0.618 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111858905 842806412 /nfs/dbraw/zinc/80/64/12/842806412.db2.gz FGYSYBVFPMHWFB-ZFWWWQNUSA-N 0 3 370.479 -0.683 20 0 FBADHN COC[C@@H](OC)C(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111867204 842807700 /nfs/dbraw/zinc/80/77/00/842807700.db2.gz CDVKJOXLGXOSDT-VBQJREDUSA-N 0 3 354.451 -0.356 20 0 FBADHN COC[C@H](OC)C(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111867205 842808585 /nfs/dbraw/zinc/80/85/85/842808585.db2.gz CDVKJOXLGXOSDT-ZQIUZPCESA-N 0 3 354.451 -0.356 20 0 FBADHN NC(=O)c1coc(C(=O)N[C@]23CCC[C@H]2CN(CCOCCO)C3)c1 ZINC001111868897 842807655 /nfs/dbraw/zinc/80/76/55/842807655.db2.gz QABZBEMGYGFGOF-GUYCJALGSA-N 0 3 351.403 -0.028 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(N)=O)co2)C1 ZINC001111868938 842809035 /nfs/dbraw/zinc/80/90/35/842809035.db2.gz RPTRBVNRZIDBTH-AHIWAGSCSA-N 0 3 351.403 -0.030 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(N)=O)co2)C1 ZINC001111868939 842808216 /nfs/dbraw/zinc/80/82/16/842808216.db2.gz RPTRBVNRZIDBTH-DCGLDWPTSA-N 0 3 351.403 -0.030 20 0 FBADHN C[C@H]1CCCN1CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2 ZINC001111870587 842807918 /nfs/dbraw/zinc/80/79/18/842807918.db2.gz FJECCOQZQKEJTH-DCGLDWPTSA-N 0 3 351.451 -0.364 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2 ZINC001111870588 842808922 /nfs/dbraw/zinc/80/89/22/842808922.db2.gz FJECCOQZQKEJTH-IGCXYCKISA-N 0 3 351.451 -0.364 20 0 FBADHN C[C@H]1CCN(CC(=O)N[C@]23CCC[C@H]2CN(CC(=O)NC(N)=O)C3)C1 ZINC001111870900 842809078 /nfs/dbraw/zinc/80/90/78/842809078.db2.gz RMXAHASGTIMAIH-DCGLDWPTSA-N 0 3 351.451 -0.506 20 0 FBADHN C[C@@H]1CCN(CC(=O)N[C@]23CCC[C@H]2CN(CC(=O)NC(N)=O)C3)C1 ZINC001111870901 842807753 /nfs/dbraw/zinc/80/77/53/842807753.db2.gz RMXAHASGTIMAIH-IGCXYCKISA-N 0 3 351.451 -0.506 20 0 FBADHN NC(=O)c1ccc(C(=O)N[C@]23CCC[C@H]2CN(CCOCCO)C3)[nH]1 ZINC001111871960 842808830 /nfs/dbraw/zinc/80/88/30/842808830.db2.gz UTALMVUVXXLAEJ-SJCJKPOMSA-N 0 3 350.419 -0.293 20 0 FBADHN CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2)[NH+](C)C ZINC001111874829 842808449 /nfs/dbraw/zinc/80/84/49/842808449.db2.gz AKVOJWJAQZPYSC-DCGLDWPTSA-N 0 3 350.467 -0.081 20 0 FBADHN CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(CCNS(C)(=O)=O)C2)N(C)C ZINC001111874870 842808184 /nfs/dbraw/zinc/80/81/84/842808184.db2.gz CKFMOVYEIGPSSB-DZKIICNBSA-N 0 3 360.524 -0.154 20 0 FBADHN CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(=O)NC)C2)N(C)C ZINC001111874926 842808744 /nfs/dbraw/zinc/80/87/44/842808744.db2.gz HBPCKMIERGVJOV-DCGLDWPTSA-N 0 3 353.467 -0.247 20 0 FBADHN CS(=O)(=O)CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2cnn[nH]2)C1 ZINC001111877028 842808524 /nfs/dbraw/zinc/80/85/24/842808524.db2.gz OIOXZFRGGIMLHI-WFASDCNBSA-N 0 3 355.464 -0.247 20 0 FBADHN CS(=O)(=O)NCCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]nn2)C1 ZINC001111878111 842808092 /nfs/dbraw/zinc/80/80/92/842808092.db2.gz VZPWPNBDMZPCQE-WFASDCNBSA-N 0 3 370.479 -0.743 20 0 FBADHN CS(=O)(=O)NCCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2cn[nH]n2)C1 ZINC001111878111 842808082 /nfs/dbraw/zinc/80/80/82/842808082.db2.gz VZPWPNBDMZPCQE-WFASDCNBSA-N 0 3 370.479 -0.743 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111883591 842810643 /nfs/dbraw/zinc/81/06/43/842810643.db2.gz RBAVAHRRBHNHDS-IPYPFGDCSA-N 0 3 370.479 -0.814 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111883592 842809789 /nfs/dbraw/zinc/80/97/89/842809789.db2.gz 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842834180 /nfs/dbraw/zinc/83/41/80/842834180.db2.gz KPLCZHULBQFVSW-HBNTYKKESA-N 0 3 365.356 -0.277 20 0 FBADHN COCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112074587 842833619 /nfs/dbraw/zinc/83/36/19/842833619.db2.gz NYAAAHXPJCPILF-IJLUTSLNSA-N 0 3 358.357 -0.364 20 0 FBADHN COCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112074588 842833253 /nfs/dbraw/zinc/83/32/53/842833253.db2.gz NYAAAHXPJCPILF-QJPTWQEYSA-N 0 3 358.357 -0.364 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)nnn1C ZINC001112074645 836078316 /nfs/dbraw/zinc/07/83/16/836078316.db2.gz PUFVYKXNRMCMSB-GHMZBOCLSA-N 0 3 365.356 -0.275 20 0 FBADHN COCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112074792 842834462 /nfs/dbraw/zinc/83/44/62/842834462.db2.gz WTANWDJXDMULIL-VXGBXAGGSA-N 0 3 365.356 -0.080 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C(F)(F)F ZINC001112075473 842833802 /nfs/dbraw/zinc/83/38/02/842833802.db2.gz DDTNEYHFRQPALT-IJLUTSLNSA-N 0 3 350.341 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ZINC001112078054 836080142 /nfs/dbraw/zinc/08/01/42/836080142.db2.gz PMGQLWHEGJZJLJ-NXEZZACHSA-N 0 3 362.356 -0.196 20 0 FBADHN O=C(CCc1nnc[nH]1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112078220 842834428 /nfs/dbraw/zinc/83/44/28/842834428.db2.gz SSOHSRMLKVLSJZ-GHMZBOCLSA-N 0 3 365.356 -0.275 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C(F)(F)F ZINC001112079076 842834569 /nfs/dbraw/zinc/83/45/69/842834569.db2.gz DZJQDUDWQWXZIP-IVZWLZJFSA-N 0 3 362.356 -0.149 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C(F)(F)F ZINC001112079077 842833532 /nfs/dbraw/zinc/83/35/32/842833532.db2.gz DZJQDUDWQWXZIP-OPRDCNLKSA-N 0 3 362.356 -0.149 20 0 FBADHN O=C([C@@H]1CCNC(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112080890 842833777 /nfs/dbraw/zinc/83/37/77/842833777.db2.gz WIVYVUVQVHYJOQ-IJLUTSLNSA-N 0 3 367.368 -0.500 20 0 FBADHN O=C([C@H]1CCNC(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112080891 842834027 /nfs/dbraw/zinc/83/40/27/842834027.db2.gz WIVYVUVQVHYJOQ-QJPTWQEYSA-N 0 3 367.368 -0.500 20 0 FBADHN O=C(C[C@H]1COC(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112081910 836081280 /nfs/dbraw/zinc/08/12/80/836081280.db2.gz QTSQKFVZBCRZLL-IJLUTSLNSA-N 0 3 368.352 -0.073 20 0 FBADHN O=C(C[C@@H]1COC(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112081911 836081436 /nfs/dbraw/zinc/08/14/36/836081436.db2.gz QTSQKFVZBCRZLL-QJPTWQEYSA-N 0 3 368.352 -0.073 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C(F)(F)F ZINC001112084518 842835876 /nfs/dbraw/zinc/83/58/76/842835876.db2.gz DOUVASYLOARZMK-IVZWLZJFSA-N 0 3 351.329 -0.003 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C(F)(F)F ZINC001112084830 842835388 /nfs/dbraw/zinc/83/53/88/842835388.db2.gz QHIYIDBQIZESTQ-IVZWLZJFSA-N 0 3 351.329 -0.003 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C(F)(F)F ZINC001112084831 842835302 /nfs/dbraw/zinc/83/53/02/842835302.db2.gz QHIYIDBQIZESTQ-OPRDCNLKSA-N 0 3 351.329 -0.003 20 0 FBADHN Cn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)c1N ZINC001112085838 842835240 /nfs/dbraw/zinc/83/52/40/842835240.db2.gz QPCVJRCNWFKALE-GHMZBOCLSA-N 0 3 365.356 -0.396 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C(F)(F)F ZINC001112085867 842835681 /nfs/dbraw/zinc/83/56/81/842835681.db2.gz SEDBCDXCDLRVFK-JHJVBQTASA-N 0 3 369.384 -0.695 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C(F)(F)F ZINC001112085868 842835744 /nfs/dbraw/zinc/83/57/44/842835744.db2.gz SEDBCDXCDLRVFK-YNEHKIRRSA-N 0 3 369.384 -0.695 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C(F)(F)F ZINC001112085942 842835017 /nfs/dbraw/zinc/83/50/17/842835017.db2.gz WNCOMUJBGPRQRO-FBIMIBRVSA-N 0 3 365.356 -0.398 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C(F)(F)F ZINC001112085943 842835728 /nfs/dbraw/zinc/83/57/28/842835728.db2.gz WNCOMUJBGPRQRO-JMJZKYOTSA-N 0 3 365.356 -0.398 20 0 FBADHN CNC(=O)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112086575 842835484 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20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C(F)(F)F ZINC001112088617 842836657 /nfs/dbraw/zinc/83/66/57/842836657.db2.gz PUMCSOKMWTVXFF-IJLUTSLNSA-N 0 3 365.356 -0.346 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C(F)(F)F ZINC001112088618 842837090 /nfs/dbraw/zinc/83/70/90/842837090.db2.gz PUMCSOKMWTVXFF-QJPTWQEYSA-N 0 3 365.356 -0.346 20 0 FBADHN O=C(CCn1ccnn1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112088671 842837257 /nfs/dbraw/zinc/83/72/57/842837257.db2.gz SSKBUSNRNHNONP-VXGBXAGGSA-N 0 3 365.356 -0.344 20 0 FBADHN CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112088687 842836470 /nfs/dbraw/zinc/83/64/70/842836470.db2.gz UJAJODMVDNHBSN-GHMZBOCLSA-N 0 3 355.357 -0.500 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCCC2=O)C1 ZINC001112088767 842838330 /nfs/dbraw/zinc/83/83/30/842838330.db2.gz YOPLMRJAEJYKAF-GHMZBOCLSA-N 0 3 364.368 -0.276 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCNC2=O)C1 ZINC001112088781 842838594 /nfs/dbraw/zinc/83/85/94/842838594.db2.gz ZDEIYROVZSNDAF-NXEZZACHSA-N 0 3 365.356 -0.873 20 0 FBADHN CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112088811 842838425 /nfs/dbraw/zinc/83/84/25/842838425.db2.gz ZXSUFSSTCKFBOD-GHMZBOCLSA-N 0 3 362.356 -0.217 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1 ZINC001112089375 842838052 /nfs/dbraw/zinc/83/80/52/842838052.db2.gz BVMGGHWKRHHGDX-HBNTYKKESA-N 0 3 362.356 -0.081 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C(F)(F)F ZINC001112089408 842837984 /nfs/dbraw/zinc/83/79/84/842837984.db2.gz DZWQXKMLJOEDCX-HBNTYKKESA-N 0 3 370.372 -0.315 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C(F)(F)F ZINC001112089423 842838350 /nfs/dbraw/zinc/83/83/50/842838350.db2.gz FXPJAOGYDHJXJG-AXTSPUMRSA-N 0 3 356.345 -0.971 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C(F)(F)F ZINC001112089424 842837879 /nfs/dbraw/zinc/83/78/79/842837879.db2.gz FXPJAOGYDHJXJG-SGIHWFKDSA-N 0 3 356.345 -0.971 20 0 FBADHN CC(=O)N1CC(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112089435 842838178 /nfs/dbraw/zinc/83/81/78/842838178.db2.gz GJOKAKMZUMTPMP-CHWSQXEVSA-N 0 3 367.368 -0.548 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112089445 836082689 /nfs/dbraw/zinc/08/26/89/836082689.db2.gz HTOZGLDDOVPZGG-IVZWLZJFSA-N 0 3 356.345 -0.969 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112089491 842837890 /nfs/dbraw/zinc/83/78/90/842837890.db2.gz KGRUQRVANJMIMH-IVZWLZJFSA-N 0 3 363.344 -0.686 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C(F)(F)F ZINC001112089593 842838333 /nfs/dbraw/zinc/83/83/33/842838333.db2.gz PHOZIXZKONTIFR-JHJVBQTASA-N 0 3 367.368 -0.549 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C(F)(F)F ZINC001112089594 842837903 /nfs/dbraw/zinc/83/79/03/842837903.db2.gz PHOZIXZKONTIFR-YNEHKIRRSA-N 0 3 367.368 -0.549 20 0 FBADHN Cn1oc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)cc1=O ZINC001112090293 842838320 /nfs/dbraw/zinc/83/83/20/842838320.db2.gz CEYSZZIUFQPTKM-NXEZZACHSA-N 0 3 367.324 -0.420 20 0 FBADHN Cn1nccc1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112090300 842838576 /nfs/dbraw/zinc/83/85/76/842838576.db2.gz CNTCUOODHJJDME-CHWSQXEVSA-N 0 3 364.368 -0.050 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C(F)(F)F ZINC001112090677 842837994 /nfs/dbraw/zinc/83/79/94/842837994.db2.gz SBVFWDJAYCGSFH-JHJVBQTASA-N 0 3 364.368 -0.051 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C(F)(F)F ZINC001112090678 842838234 /nfs/dbraw/zinc/83/82/34/842838234.db2.gz SBVFWDJAYCGSFH-YNEHKIRRSA-N 0 3 364.368 -0.051 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C(F)(F)F ZINC001112090707 842838540 /nfs/dbraw/zinc/83/85/40/842838540.db2.gz TYTSHDNKJIBDRB-IVZWLZJFSA-N 0 3 367.324 -0.422 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C(F)(F)F ZINC001112090708 842838113 /nfs/dbraw/zinc/83/81/13/842838113.db2.gz TYTSHDNKJIBDRB-OPRDCNLKSA-N 0 3 367.324 -0.422 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C(F)(F)F ZINC001112091361 842838303 /nfs/dbraw/zinc/83/83/03/842838303.db2.gz COIPYLXRBFBGPT-IVZWLZJFSA-N 0 3 351.329 -0.585 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C(F)(F)F ZINC001112091362 842838627 /nfs/dbraw/zinc/83/86/27/842838627.db2.gz COIPYLXRBFBGPT-OPRDCNLKSA-N 0 3 351.329 -0.585 20 0 FBADHN Cn1nncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112091640 842839978 /nfs/dbraw/zinc/83/99/78/842839978.db2.gz PHTMAYWWXOEDLB-NXEZZACHSA-N 0 3 351.329 -0.584 20 0 FBADHN O=C([C@@H]1COC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112092566 836084346 /nfs/dbraw/zinc/08/43/46/836084346.db2.gz FJFLYYALOXCMPT-BBBLOLIVSA-N 0 3 355.313 -0.917 20 0 FBADHN O=C([C@H]1COC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112092567 836084545 /nfs/dbraw/zinc/08/45/45/836084545.db2.gz FJFLYYALOXCMPT-OPRDCNLKSA-N 0 3 355.313 -0.917 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001112092709 842839397 /nfs/dbraw/zinc/83/93/97/842839397.db2.gz KYVSWQONBRTKRY-GMTAPVOTSA-N 0 3 369.340 -0.263 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001112092710 842839546 /nfs/dbraw/zinc/83/95/46/842839546.db2.gz KYVSWQONBRTKRY-MXWKQRLJSA-N 0 3 369.340 -0.263 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C(F)(F)F ZINC001112094714 842839285 /nfs/dbraw/zinc/83/92/85/842839285.db2.gz DAZLAVWDVAODNU-IVZWLZJFSA-N 0 3 351.329 -0.585 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C(F)(F)F ZINC001112094715 842839906 /nfs/dbraw/zinc/83/99/06/842839906.db2.gz DAZLAVWDVAODNU-OPRDCNLKSA-N 0 3 351.329 -0.585 20 0 FBADHN Cn1cnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)n1 ZINC001112095099 836084915 /nfs/dbraw/zinc/08/49/15/836084915.db2.gz OBZHRYMBIWWVDK-NXEZZACHSA-N 0 3 351.329 -0.584 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C2)n1 ZINC001112095143 842839887 /nfs/dbraw/zinc/83/98/87/842839887.db2.gz QETDFZYTBFWZFM-CKYFFXLPSA-N 0 3 365.356 -0.102 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C2)n1 ZINC001112095144 842839444 /nfs/dbraw/zinc/83/94/44/842839444.db2.gz QETDFZYTBFWZFM-HOSYDEDBSA-N 0 3 365.356 -0.102 20 0 FBADHN Cc1nnc(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)o1 ZINC001112095148 842839268 /nfs/dbraw/zinc/83/92/68/842839268.db2.gz QIIJZGGWYDBMAA-GHMZBOCLSA-N 0 3 366.340 -0.092 20 0 FBADHN Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)nn1 ZINC001112095279 842839834 /nfs/dbraw/zinc/83/98/34/842839834.db2.gz RYWKNALGRUMDEL-NXEZZACHSA-N 0 3 351.329 -0.584 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C(F)(F)F ZINC001112095322 842839598 /nfs/dbraw/zinc/83/95/98/842839598.db2.gz VBCRSLCHZLKFKS-GMTAPVOTSA-N 0 3 366.340 -0.093 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C(F)(F)F ZINC001112095323 842840010 /nfs/dbraw/zinc/84/00/10/842840010.db2.gz VBCRSLCHZLKFKS-HBNTYKKESA-N 0 3 366.340 -0.093 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C(F)(F)F ZINC001112095324 842839352 /nfs/dbraw/zinc/83/93/52/842839352.db2.gz VFHIKXMRRUOKBF-IVZWLZJFSA-N 0 3 351.329 -0.585 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C(F)(F)F ZINC001112095325 842839461 /nfs/dbraw/zinc/83/94/61/842839461.db2.gz VFHIKXMRRUOKBF-OPRDCNLKSA-N 0 3 351.329 -0.585 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)n1 ZINC001112095374 842839500 /nfs/dbraw/zinc/83/95/00/842839500.db2.gz XLRFHYIJPUQTQM-ZYHUDNBSSA-N 0 3 365.356 -0.101 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112096165 842840374 /nfs/dbraw/zinc/84/03/74/842840374.db2.gz CPDJMGLQHBNLTO-GHMZBOCLSA-N 0 3 370.372 -0.707 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112096388 836085080 /nfs/dbraw/zinc/08/50/80/836085080.db2.gz MDHFZRONBGSBGU-GHMZBOCLSA-N 0 3 365.356 -0.101 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112096625 842840619 /nfs/dbraw/zinc/84/06/19/842840619.db2.gz XHFIACBHTWWVPN-GMTAPVOTSA-N 0 3 370.372 -0.708 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112096626 842840693 /nfs/dbraw/zinc/84/06/93/842840693.db2.gz XHFIACBHTWWVPN-HBNTYKKESA-N 0 3 370.372 -0.708 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112096641 842840953 /nfs/dbraw/zinc/84/09/53/842840953.db2.gz YBNNAIWEFLDIAP-GMTAPVOTSA-N 0 3 365.356 -0.102 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112096642 842840940 /nfs/dbraw/zinc/84/09/40/842840940.db2.gz YBNNAIWEFLDIAP-HBNTYKKESA-N 0 3 365.356 -0.102 20 0 FBADHN Cc1nnc(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)[nH]1 ZINC001112098030 842840362 /nfs/dbraw/zinc/84/03/62/842840362.db2.gz PKZMOPCIAKJAKC-GHMZBOCLSA-N 0 3 365.356 -0.357 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C(F)(F)F ZINC001112098184 842840794 /nfs/dbraw/zinc/84/07/94/842840794.db2.gz YQWCEJKZQURUFJ-GMTAPVOTSA-N 0 3 365.356 -0.358 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C(F)(F)F ZINC001112098185 842841032 /nfs/dbraw/zinc/84/10/32/842841032.db2.gz YQWCEJKZQURUFJ-HBNTYKKESA-N 0 3 365.356 -0.358 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C(F)(F)F ZINC001112098360 842840987 /nfs/dbraw/zinc/84/09/87/842840987.db2.gz FFNKMKXDGYICDJ-JHJVBQTASA-N 0 3 364.368 -0.051 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C(F)(F)F ZINC001112098361 842840978 /nfs/dbraw/zinc/84/09/78/842840978.db2.gz FFNKMKXDGYICDJ-YNEHKIRRSA-N 0 3 364.368 -0.051 20 0 FBADHN Cn1ccc(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)n1 ZINC001112098872 842841058 /nfs/dbraw/zinc/84/10/58/842841058.db2.gz XZZHOXPAZFLTMG-CHWSQXEVSA-N 0 3 364.368 -0.050 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)nn1 ZINC001112100881 842841252 /nfs/dbraw/zinc/84/12/52/842841252.db2.gz OJBRZCCFMSZVAP-GHMZBOCLSA-N 0 3 365.356 -0.101 20 0 FBADHN O=C(CO[C@@H]1CCOC1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112101174 842841098 /nfs/dbraw/zinc/84/10/98/842841098.db2.gz BFXFRLRMQSKQPS-JHJVBQTASA-N 0 3 370.368 -0.220 20 0 FBADHN O=C(CO[C@H]1CCOC1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112101175 842840537 /nfs/dbraw/zinc/84/05/37/842840537.db2.gz BFXFRLRMQSKQPS-YNEHKIRRSA-N 0 3 370.368 -0.220 20 0 FBADHN C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1)NC(N)=O ZINC001112101684 842840903 /nfs/dbraw/zinc/84/09/03/842840903.db2.gz WZUOXMDGZLLSLG-GMTAPVOTSA-N 0 3 370.372 -0.579 20 0 FBADHN C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1)NC(N)=O ZINC001112101685 842841233 /nfs/dbraw/zinc/84/12/33/842841233.db2.gz WZUOXMDGZLLSLG-HBNTYKKESA-N 0 3 370.372 -0.579 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112101715 836886359 /nfs/dbraw/zinc/88/63/59/836886359.db2.gz YHAAQJDHPQQGGF-GHMZBOCLSA-N 0 3 352.357 -0.237 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112102363 842841126 /nfs/dbraw/zinc/84/11/26/842841126.db2.gz FLBRZFPAVDVALN-NXEZZACHSA-N 0 3 361.386 -0.713 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F ZINC001112102474 836889503 /nfs/dbraw/zinc/88/95/03/836889503.db2.gz KULJFRRXGRVJIR-GHMZBOCLSA-N 0 3 366.344 -0.685 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112102602 842842494 /nfs/dbraw/zinc/84/24/94/842842494.db2.gz QVWURVYUUFKBMX-NXEZZACHSA-N 0 3 361.386 -0.449 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](C)O)C1 ZINC001112102647 842842180 /nfs/dbraw/zinc/84/21/80/842842180.db2.gz UEUYEOXXRVMZBK-IVZWLZJFSA-N 0 3 361.386 -0.715 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](C)O)C1 ZINC001112102648 842842044 /nfs/dbraw/zinc/84/20/44/842842044.db2.gz UEUYEOXXRVMZBK-OPRDCNLKSA-N 0 3 361.386 -0.715 20 0 FBADHN COCCN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C(F)(F)F ZINC001112104547 842842475 /nfs/dbraw/zinc/84/24/75/842842475.db2.gz OMTPOVNAHUWRMF-RKDXNWHRSA-N 0 3 364.328 -0.998 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112105852 842842131 /nfs/dbraw/zinc/84/21/31/842842131.db2.gz IBPWWNAJZWCVLL-IVZWLZJFSA-N 0 3 361.386 -0.715 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112105853 842841878 /nfs/dbraw/zinc/84/18/78/842841878.db2.gz IBPWWNAJZWCVLL-OPRDCNLKSA-N 0 3 361.386 -0.715 20 0 FBADHN O=C(CNC(=O)c1ccncc1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112106175 842842610 /nfs/dbraw/zinc/84/26/10/842842610.db2.gz XWJCFWIVNZPEON-VXGBXAGGSA-N 0 3 360.336 -0.217 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112106896 842841784 /nfs/dbraw/zinc/84/17/84/842841784.db2.gz FLZDAQPPEGWFPW-GMTAPVOTSA-N 0 3 355.357 -0.501 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112106897 842841683 /nfs/dbraw/zinc/84/16/83/842841683.db2.gz FLZDAQPPEGWFPW-HBNTYKKESA-N 0 3 355.357 -0.501 20 0 FBADHN CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112107033 842841703 /nfs/dbraw/zinc/84/17/03/842841703.db2.gz LSWRECHORWZCLE-IJLUTSLNSA-N 0 3 369.384 -0.111 20 0 FBADHN CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112107034 842842632 /nfs/dbraw/zinc/84/26/32/842842632.db2.gz LSWRECHORWZCLE-QJPTWQEYSA-N 0 3 369.384 -0.111 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C(F)(F)F ZINC001112107243 836895303 /nfs/dbraw/zinc/89/53/03/836895303.db2.gz VRRIVDAKNXAJOO-GMTAPVOTSA-N 0 3 355.357 -0.237 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C(F)(F)F ZINC001112107244 836894612 /nfs/dbraw/zinc/89/46/12/836894612.db2.gz VRRIVDAKNXAJOO-HBNTYKKESA-N 0 3 355.357 -0.237 20 0 FBADHN O=C(Cn1nccn1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112107687 842842519 /nfs/dbraw/zinc/84/25/19/842842519.db2.gz MQWKONWOKMJDGE-GHMZBOCLSA-N 0 3 351.329 -0.734 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C(F)(F)F ZINC001112107874 842842212 /nfs/dbraw/zinc/84/22/12/842842212.db2.gz RGWUVTHTSHHIRM-VXGBXAGGSA-N 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COC[C@@H](O)CN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C(F)(F)F ZINC001112118212 842845639 /nfs/dbraw/zinc/84/56/39/842845639.db2.gz YWQFMBHYQCLXKF-IVZWLZJFSA-N 0 3 355.357 -0.516 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C(F)(F)F ZINC001112118213 836900884 /nfs/dbraw/zinc/90/08/84/836900884.db2.gz YWQFMBHYQCLXKF-OPRDCNLKSA-N 0 3 355.357 -0.516 20 0 FBADHN O=C(c1cnc[nH]c1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112119277 836102372 /nfs/dbraw/zinc/10/23/72/836102372.db2.gz MZLMDQZNGZKHJH-GHMZBOCLSA-N 0 3 364.324 -0.216 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C(F)(F)F ZINC001112119330 836102590 /nfs/dbraw/zinc/10/25/90/836102590.db2.gz QOAGXYNWTNSUKR-FBIMIBRVSA-N 0 3 364.324 -0.218 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1C(F)(F)F ZINC001112119331 836102328 /nfs/dbraw/zinc/10/23/28/836102328.db2.gz QOAGXYNWTNSUKR-JMJZKYOTSA-N 0 3 364.324 -0.218 20 0 FBADHN Cn1ccnc1COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112119398 836103258 /nfs/dbraw/zinc/10/32/58/836103258.db2.gz TWWZTDGHUCIDFF-GHMZBOCLSA-N 0 3 350.341 -0.092 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112119446 836103175 /nfs/dbraw/zinc/10/31/75/836103175.db2.gz WSAPFVVMGCJJNU-DDHJBXDOSA-N 0 3 367.368 -0.359 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112119447 836103399 /nfs/dbraw/zinc/10/33/99/836103399.db2.gz WSAPFVVMGCJJNU-IRCOFANPSA-N 0 3 367.368 -0.359 20 0 FBADHN O=C([C@H]1CCCC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112119474 836103354 /nfs/dbraw/zinc/10/33/54/836103354.db2.gz YNMBIZRRMKPNEJ-IJLUTSLNSA-N 0 3 367.368 -0.357 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NC(N)=O)C1)N(C)C ZINC001112120170 842846263 /nfs/dbraw/zinc/84/62/63/842846263.db2.gz GVPHALZKUVIVPE-OPRDCNLKSA-N 0 3 367.372 -0.500 20 0 FBADHN Cn1nccc1COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112121534 842846300 /nfs/dbraw/zinc/84/63/00/842846300.db2.gz QXFQTXQAKNPPPD-VXGBXAGGSA-N 0 3 350.341 -0.092 20 0 FBADHN COCCN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001112123293 842846023 /nfs/dbraw/zinc/84/60/23/842846023.db2.gz BXEONAJDTLZEIO-NXEZZACHSA-N 0 3 351.329 -0.793 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001112123347 842846526 /nfs/dbraw/zinc/84/65/26/842846526.db2.gz DWROBAJHDFCNRD-GMTAPVOTSA-N 0 3 365.356 -0.404 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001112123348 842846385 /nfs/dbraw/zinc/84/63/85/842846385.db2.gz DWROBAJHDFCNRD-HBNTYKKESA-N 0 3 365.356 -0.404 20 0 FBADHN O=C(CC1CS(=O)(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112123385 842846283 /nfs/dbraw/zinc/84/62/83/842846283.db2.gz HGZNRYNJUUEAGD-GHMZBOCLSA-N 0 3 358.382 -0.218 20 0 FBADHN CO[C@H](C)CN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001112123387 842845920 /nfs/dbraw/zinc/84/59/20/842845920.db2.gz HJJHUFJVCKBDQX-GMTAPVOTSA-N 0 3 365.356 -0.404 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001112123388 842846369 /nfs/dbraw/zinc/84/63/69/842846369.db2.gz HJJHUFJVCKBDQX-HBNTYKKESA-N 0 3 365.356 -0.404 20 0 FBADHN COCCS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112123519 842846354 /nfs/dbraw/zinc/84/63/54/842846354.db2.gz NHHJCLBIESMMDB-NXEZZACHSA-N 0 3 362.370 -0.981 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001112123566 842846339 /nfs/dbraw/zinc/84/63/39/842846339.db2.gz PWGOVJTZTPYXGF-GHMZBOCLSA-N 0 3 365.356 -0.403 20 0 FBADHN CN1CCN(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)CC1=O ZINC001112124343 842846321 /nfs/dbraw/zinc/84/63/21/842846321.db2.gz FVVKQYXOKMUNOG-VXGBXAGGSA-N 0 3 366.384 -0.878 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C(F)(F)F ZINC001112124745 842845893 /nfs/dbraw/zinc/84/58/93/842845893.db2.gz VGXUCGACBDEMMI-VXGBXAGGSA-N 0 3 366.384 -0.614 20 0 FBADHN O=C([C@@H]1CCC(=O)NC1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112125115 842847381 /nfs/dbraw/zinc/84/73/81/842847381.db2.gz PGKXXXGGNYLVJD-IJLUTSLNSA-N 0 3 367.368 -0.500 20 0 FBADHN O=C([C@H]1CCC(=O)NC1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112125116 842847492 /nfs/dbraw/zinc/84/74/92/842847492.db2.gz PGKXXXGGNYLVJD-QJPTWQEYSA-N 0 3 367.368 -0.500 20 0 FBADHN CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112126146 842847994 /nfs/dbraw/zinc/84/79/94/842847994.db2.gz ATSVGOPEQIEKOM-VXGBXAGGSA-N 0 3 368.400 -0.586 20 0 FBADHN O=C(CN1CCCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112126412 842847459 /nfs/dbraw/zinc/84/74/59/842847459.db2.gz PRITYPCFLUPLFI-GHMZBOCLSA-N 0 3 352.357 -0.237 20 0 FBADHN COCCN[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C(F)(F)F ZINC001112127259 842847117 /nfs/dbraw/zinc/84/71/17/842847117.db2.gz BWPIBRVPGDBRQE-NXEZZACHSA-N 0 3 364.324 -0.426 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112127381 842847955 /nfs/dbraw/zinc/84/79/55/842847955.db2.gz JKXUZIOJTJEPMY-NXEZZACHSA-N 0 3 364.324 -0.690 20 0 FBADHN O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112128509 842847799 /nfs/dbraw/zinc/84/77/99/842847799.db2.gz NQSGEQGXVXFHDM-GMTAPVOTSA-N 0 3 358.382 -0.218 20 0 FBADHN O=C([C@H]1CCS(=O)(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112128510 842847335 /nfs/dbraw/zinc/84/73/35/842847335.db2.gz NQSGEQGXVXFHDM-HBNTYKKESA-N 0 3 358.382 -0.218 20 0 FBADHN O=C(CCN1C(=O)CCC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112128611 842848064 /nfs/dbraw/zinc/84/80/64/842848064.db2.gz SMAMGQHOCTTZNO-GHMZBOCLSA-N 0 3 365.352 -0.113 20 0 FBADHN C[C@@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CNC(=O)C1 ZINC001112135719 842847007 /nfs/dbraw/zinc/84/70/07/842847007.db2.gz MJZJCFLSIAMMKI-GYSYKLTISA-N 0 3 367.368 -0.500 20 0 FBADHN C[C@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CNC(=O)C1 ZINC001112135720 842847365 /nfs/dbraw/zinc/84/73/65/842847365.db2.gz MJZJCFLSIAMMKI-JTNHKYCSSA-N 0 3 367.368 -0.500 20 0 FBADHN CCC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)S(N)(=O)=O ZINC001112137186 836159050 /nfs/dbraw/zinc/15/90/50/836159050.db2.gz XPIPJQNTDOLCMD-BBBLOLIVSA-N 0 3 361.386 -0.585 20 0 FBADHN CCC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)S(N)(=O)=O ZINC001112137187 836159158 /nfs/dbraw/zinc/15/91/58/836159158.db2.gz XPIPJQNTDOLCMD-OPRDCNLKSA-N 0 3 361.386 -0.585 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C(F)(F)F ZINC001112137191 836159144 /nfs/dbraw/zinc/15/91/44/836159144.db2.gz XSJSQZCVYLDFRQ-GHMZBOCLSA-N 0 3 365.356 -0.403 20 0 FBADHN Cn1cnn(CCC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)c1=O ZINC001112137209 836159107 /nfs/dbraw/zinc/15/91/07/836159107.db2.gz YGXVDALJQQHNFW-GHMZBOCLSA-N 0 3 365.356 -0.667 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NC2CC2)C1 ZINC001112141074 842849479 /nfs/dbraw/zinc/84/94/79/842849479.db2.gz IDOHNRLYRFKARQ-NXEZZACHSA-N 0 3 360.340 -0.016 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112141091 842848630 /nfs/dbraw/zinc/84/86/30/842848630.db2.gz IXEBDKNVVUBIEJ-NXEZZACHSA-N 0 3 351.329 -0.285 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C(F)(F)F ZINC001112141119 842849373 /nfs/dbraw/zinc/84/93/73/842849373.db2.gz KJISSWHOXNYLTF-IVZWLZJFSA-N 0 3 351.329 -0.287 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C(F)(F)F ZINC001112141120 842849266 /nfs/dbraw/zinc/84/92/66/842849266.db2.gz KJISSWHOXNYLTF-OPRDCNLKSA-N 0 3 351.329 -0.287 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCS(C)(=O)=O)C1 ZINC001112141211 842848417 /nfs/dbraw/zinc/84/84/17/842848417.db2.gz QAYQNGJSIOGUSA-RKDXNWHRSA-N 0 3 369.369 -0.250 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C(F)(F)F ZINC001112141880 842848912 /nfs/dbraw/zinc/84/89/12/842848912.db2.gz CJVYDFNHNSKPAN-VXGBXAGGSA-N 0 3 366.384 -0.566 20 0 FBADHN CO[C@H](C)CN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C(F)(F)F ZINC001112141918 842849550 /nfs/dbraw/zinc/84/95/50/842849550.db2.gz DMXJKSFSXROGFP-IJLUTSLNSA-N 0 3 366.384 -0.568 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C(F)(F)F ZINC001112141919 842849338 /nfs/dbraw/zinc/84/93/38/842849338.db2.gz DMXJKSFSXROGFP-QJPTWQEYSA-N 0 3 366.384 -0.568 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C(F)(F)F ZINC001112141961 842848464 /nfs/dbraw/zinc/84/84/64/842848464.db2.gz GVCAKZCKCFVNOD-GHMZBOCLSA-N 0 3 352.357 -0.957 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001112142034 842848601 /nfs/dbraw/zinc/84/86/01/842848601.db2.gz JQGMMGUMYDQRKV-IJLUTSLNSA-N 0 3 367.368 -0.236 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001112142035 842849291 /nfs/dbraw/zinc/84/92/91/842849291.db2.gz JQGMMGUMYDQRKV-QJPTWQEYSA-N 0 3 367.368 -0.236 20 0 FBADHN O=C([C@@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112142040 842849064 /nfs/dbraw/zinc/84/90/64/842849064.db2.gz JWTVLKDNQUMGGT-GMTAPVOTSA-N 0 3 353.341 -0.890 20 0 FBADHN O=C([C@H]1CCNC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112142041 842848532 /nfs/dbraw/zinc/84/85/32/842848532.db2.gz JWTVLKDNQUMGGT-HBNTYKKESA-N 0 3 353.341 -0.890 20 0 FBADHN Cn1c(=O)[nH]cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)c1=O ZINC001112142129 842849211 /nfs/dbraw/zinc/84/92/11/842849211.db2.gz NXXAPTMLVVLFKF-NXEZZACHSA-N 0 3 364.324 -0.539 20 0 FBADHN Cn1c(=O)[nH]cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112142130 842848987 /nfs/dbraw/zinc/84/89/87/842848987.db2.gz NZQLPKQCZPUTIZ-NXEZZACHSA-N 0 3 366.340 -0.273 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C(F)(F)F ZINC001112142181 836195839 /nfs/dbraw/zinc/19/58/39/836195839.db2.gz PZUJNFJKFUTUEF-IJLUTSLNSA-N 0 3 366.384 -0.568 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C(F)(F)F ZINC001112142182 836196153 /nfs/dbraw/zinc/19/61/53/836196153.db2.gz PZUJNFJKFUTUEF-QJPTWQEYSA-N 0 3 366.384 -0.568 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C(F)(F)F ZINC001112142230 836195736 /nfs/dbraw/zinc/19/57/36/836195736.db2.gz RVDPNRWNTXALFG-IVZWLZJFSA-N 0 3 366.340 -0.275 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C(F)(F)F ZINC001112142231 836195965 /nfs/dbraw/zinc/19/59/65/836195965.db2.gz RVDPNRWNTXALFG-OPRDCNLKSA-N 0 3 366.340 -0.275 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C(F)(F)F ZINC001112144815 842850749 /nfs/dbraw/zinc/85/07/49/842850749.db2.gz GXVQWXJKXJFOTK-NXEZZACHSA-N 0 3 366.344 -0.534 20 0 FBADHN CN1C(=O)CC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112144819 842850615 /nfs/dbraw/zinc/85/06/15/842850615.db2.gz GXYFRHIDCJUIGG-UTUOFQBUSA-N 0 3 367.368 -0.405 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112144885 836210838 /nfs/dbraw/zinc/21/08/38/836210838.db2.gz IDPMPQWZUOXBGK-GMTAPVOTSA-N 0 3 362.356 -0.232 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112144886 836211028 /nfs/dbraw/zinc/21/10/28/836211028.db2.gz IDPMPQWZUOXBGK-HBNTYKKESA-N 0 3 362.356 -0.232 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112145072 842850889 /nfs/dbraw/zinc/85/08/89/842850889.db2.gz LGHGGKLSJYZTLV-GMTAPVOTSA-N 0 3 355.357 -0.514 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112145073 842850719 /nfs/dbraw/zinc/85/07/19/842850719.db2.gz LGHGGKLSJYZTLV-HBNTYKKESA-N 0 3 355.357 -0.514 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C(F)(F)F ZINC001112145277 836211760 /nfs/dbraw/zinc/21/17/60/836211760.db2.gz PUNKKDXZICWMHC-KKOKHZNYSA-N 0 3 367.368 -0.407 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C(F)(F)F ZINC001112145278 836211736 /nfs/dbraw/zinc/21/17/36/836211736.db2.gz PUNKKDXZICWMHC-QCNOEVLYSA-N 0 3 367.368 -0.407 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C(F)(F)F ZINC001112148353 842850773 /nfs/dbraw/zinc/85/07/73/842850773.db2.gz KIGHHYUDIBGESW-LSUSWQKBSA-N 0 3 352.353 -0.135 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C(F)(F)F ZINC001112148354 842850433 /nfs/dbraw/zinc/85/04/33/842850433.db2.gz KIGHHYUDIBGESW-LYUGOTMTSA-N 0 3 352.353 -0.135 20 0 FBADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112148698 842850282 /nfs/dbraw/zinc/85/02/82/842850282.db2.gz YULYCQNVPBWZBK-MLGHIDQZSA-N 0 3 352.353 -0.133 20 0 FBADHN CN1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1=O ZINC001112149798 836235013 /nfs/dbraw/zinc/23/50/13/836235013.db2.gz SRXVQKHAGCPEFL-IJLUTSLNSA-N 0 3 367.368 -0.548 20 0 FBADHN CN1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1=O ZINC001112149799 836235195 /nfs/dbraw/zinc/23/51/95/836235195.db2.gz SRXVQKHAGCPEFL-QJPTWQEYSA-N 0 3 367.368 -0.548 20 0 FBADHN CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112150738 842850258 /nfs/dbraw/zinc/85/02/58/842850258.db2.gz GXYFRHIDCJUIGG-IJLUTSLNSA-N 0 3 367.368 -0.405 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C(F)(F)F ZINC001112150898 842850472 /nfs/dbraw/zinc/85/04/72/842850472.db2.gz PUNKKDXZICWMHC-DDHJBXDOSA-N 0 3 367.368 -0.407 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C(F)(F)F ZINC001112150899 842850199 /nfs/dbraw/zinc/85/01/99/842850199.db2.gz PUNKKDXZICWMHC-IRCOFANPSA-N 0 3 367.368 -0.407 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C(F)(F)F ZINC001112153449 842850319 /nfs/dbraw/zinc/85/03/19/842850319.db2.gz FMBMZJFBGODGMP-FXPVBKGRSA-N 0 3 364.324 -0.630 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C(F)(F)F ZINC001112153450 842850308 /nfs/dbraw/zinc/85/03/08/842850308.db2.gz FMBMZJFBGODGMP-IQJOONFLSA-N 0 3 364.324 -0.630 20 0 FBADHN O=C(c1c[nH]c(=O)cn1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112153612 842850660 /nfs/dbraw/zinc/85/06/60/842850660.db2.gz POSZMFIPFSAQRI-MWLCHTKSSA-N 0 3 364.324 -0.629 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C(F)(F)F ZINC001112154279 836242152 /nfs/dbraw/zinc/24/21/52/836242152.db2.gz DGJKZWXBGSPHPP-GHMZBOCLSA-N 0 3 367.368 -0.106 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001112154375 836242973 /nfs/dbraw/zinc/24/29/73/836242973.db2.gz IQMSPUNJKHEIHE-GMTAPVOTSA-N 0 3 368.356 -0.690 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001112154376 836243047 /nfs/dbraw/zinc/24/30/47/836243047.db2.gz IQMSPUNJKHEIHE-OUAUKWLOSA-N 0 3 368.356 -0.690 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C(F)(F)F ZINC001112154554 842851762 /nfs/dbraw/zinc/85/17/62/842851762.db2.gz RBEWWPWSZKMPJS-IVZWLZJFSA-N 0 3 353.341 -0.762 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C(F)(F)F ZINC001112154555 836242855 /nfs/dbraw/zinc/24/28/55/836242855.db2.gz RBEWWPWSZKMPJS-OPRDCNLKSA-N 0 3 353.341 -0.762 20 0 FBADHN NC(=O)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CC1 ZINC001112154570 842851633 /nfs/dbraw/zinc/85/16/33/842851633.db2.gz RVPOLAJODXVEHQ-NXEZZACHSA-N 0 3 353.341 -0.760 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)CC(F)(F)F)C1 ZINC001112155634 842851222 /nfs/dbraw/zinc/85/12/22/842851222.db2.gz ANPATDKVNYDMOD-FSDSQADBSA-N 0 3 351.247 -0.236 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)CC(F)(F)F)C1 ZINC001112155635 842851773 /nfs/dbraw/zinc/85/17/73/842851773.db2.gz ANPATDKVNYDMOD-RRKCRQDMSA-N 0 3 351.247 -0.236 20 0 FBADHN NS(=O)(=O)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112155648 842851243 /nfs/dbraw/zinc/85/12/43/842851243.db2.gz BMGGTYGLNUBDQG-NXEZZACHSA-N 0 3 361.386 -0.584 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C(F)(F)F ZINC001112155829 836243600 /nfs/dbraw/zinc/24/36/00/836243600.db2.gz MEJMFIVBRNBCBD-NXEZZACHSA-N 0 3 361.386 -0.320 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO[C@@H]2CCOC2)C1 ZINC001112155890 842851659 /nfs/dbraw/zinc/85/16/59/842851659.db2.gz PIDHYIGEYAIUHA-GMTAPVOTSA-N 0 3 353.341 -0.354 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO[C@H]2CCOC2)C1 ZINC001112155891 842851624 /nfs/dbraw/zinc/85/16/24/842851624.db2.gz PIDHYIGEYAIUHA-HBNTYKKESA-N 0 3 353.341 -0.354 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C(F)(F)F ZINC001112155993 842851333 /nfs/dbraw/zinc/85/13/33/842851333.db2.gz UJXSBWLAYYMTNG-IVZWLZJFSA-N 0 3 361.386 -0.585 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C(F)(F)F ZINC001112155994 842851893 /nfs/dbraw/zinc/85/18/93/842851893.db2.gz UJXSBWLAYYMTNG-OPRDCNLKSA-N 0 3 361.386 -0.585 20 0 FBADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCN2CCCC2=O)C1 ZINC001112157008 842851700 /nfs/dbraw/zinc/85/17/00/842851700.db2.gz MBWRHFRUAMEPCC-NXEZZACHSA-N 0 3 350.341 -0.537 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC001112157801 842851965 /nfs/dbraw/zinc/85/19/65/842851965.db2.gz CVOQNBUCNZDZLH-IVZWLZJFSA-N 0 3 366.340 -0.275 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC001112157802 842851845 /nfs/dbraw/zinc/85/18/45/842851845.db2.gz CVOQNBUCNZDZLH-OPRDCNLKSA-N 0 3 366.340 -0.275 20 0 FBADHN Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)[nH]c1=O ZINC001112157819 842851587 /nfs/dbraw/zinc/85/15/87/842851587.db2.gz DYOYLKSNCWKUHQ-NXEZZACHSA-N 0 3 366.340 -0.273 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C(F)(F)F ZINC001112158161 842851391 /nfs/dbraw/zinc/85/13/91/842851391.db2.gz WERBNHPUUDHJDH-RKDXNWHRSA-N 0 3 363.340 -0.146 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C(F)(F)F ZINC001112158197 842851548 /nfs/dbraw/zinc/85/15/48/842851548.db2.gz XRGQFSOCUUNAKJ-DJLDLDEBSA-N 0 3 363.340 -0.147 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C(F)(F)F ZINC001112158198 842851809 /nfs/dbraw/zinc/85/18/09/842851809.db2.gz XRGQFSOCUUNAKJ-IWSPIJDZSA-N 0 3 363.340 -0.147 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C(F)(F)F ZINC001112158253 836246672 /nfs/dbraw/zinc/24/66/72/836246672.db2.gz ZZBDUJPSJLICRJ-RKDXNWHRSA-N 0 3 363.340 -0.194 20 0 FBADHN C[C@@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CCC(=O)N1 ZINC001112161401 842852249 /nfs/dbraw/zinc/85/22/49/842852249.db2.gz PJZQNPCCZOZGJC-GYSYKLTISA-N 0 3 367.368 -0.357 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112161672 836251607 /nfs/dbraw/zinc/25/16/07/836251607.db2.gz XWCIYHOVAHCMJV-BIAAXOCRSA-N 0 3 367.368 -0.359 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112161673 836251971 /nfs/dbraw/zinc/25/19/71/836251971.db2.gz XWCIYHOVAHCMJV-OXIWPEFWSA-N 0 3 367.368 -0.359 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112162729 836252668 /nfs/dbraw/zinc/25/26/68/836252668.db2.gz ZPIUEMSBKLHGMV-IJLUTSLNSA-N 0 3 358.357 -0.364 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112162730 836254045 /nfs/dbraw/zinc/25/40/45/836254045.db2.gz ZPIUEMSBKLHGMV-UTUOFQBUSA-N 0 3 358.357 -0.364 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112163324 836255261 /nfs/dbraw/zinc/25/52/61/836255261.db2.gz SFOFMVSVPAHXLD-IJLUTSLNSA-N 0 3 365.356 -0.082 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112163325 836255376 /nfs/dbraw/zinc/25/53/76/836255376.db2.gz SFOFMVSVPAHXLD-UTUOFQBUSA-N 0 3 365.356 -0.082 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F ZINC001112166009 842853210 /nfs/dbraw/zinc/85/32/10/842853210.db2.gz ADMQDVVGAHVCJC-WRWGMCAJSA-N 0 3 367.368 -0.250 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)O1 ZINC001112166075 842853046 /nfs/dbraw/zinc/85/30/46/842853046.db2.gz CNZSFCGOCKWWBN-CHWFTXMASA-N 0 3 353.341 -0.619 20 0 FBADHN C[C@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CCNC1=O ZINC001112166388 842852984 /nfs/dbraw/zinc/85/29/84/842852984.db2.gz RLZNXFPCEDGZRV-GYSYKLTISA-N 0 3 367.368 -0.500 20 0 FBADHN C[C@@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CCNC1=O ZINC001112166389 842853724 /nfs/dbraw/zinc/85/37/24/842853724.db2.gz RLZNXFPCEDGZRV-JTNHKYCSSA-N 0 3 367.368 -0.500 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(F)(F)F ZINC001112166506 836269799 /nfs/dbraw/zinc/26/97/99/836269799.db2.gz XEWHLDSFEMPLNR-CHWFTXMASA-N 0 3 353.341 -0.355 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112166536 836271404 /nfs/dbraw/zinc/27/14/04/836271404.db2.gz ZNBMTQMCAHIDHX-LMLFDSFASA-N 0 3 353.341 -0.904 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NC(N)=O)C1)N(C)C ZINC001112167170 842854013 /nfs/dbraw/zinc/85/40/13/842854013.db2.gz GVPHALZKUVIVPE-BBBLOLIVSA-N 0 3 367.372 -0.500 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C(F)(F)F ZINC001112167904 842853382 /nfs/dbraw/zinc/85/33/82/842853382.db2.gz LIOFREOTXDNWQP-FBIMIBRVSA-N 0 3 362.356 -0.149 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001112167904 842853372 /nfs/dbraw/zinc/85/33/72/842853372.db2.gz LIOFREOTXDNWQP-FBIMIBRVSA-N 0 3 362.356 -0.149 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C(F)(F)F ZINC001112167905 842853411 /nfs/dbraw/zinc/85/34/11/842853411.db2.gz LIOFREOTXDNWQP-JMJZKYOTSA-N 0 3 362.356 -0.149 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001112167905 842853406 /nfs/dbraw/zinc/85/34/06/842853406.db2.gz LIOFREOTXDNWQP-JMJZKYOTSA-N 0 3 362.356 -0.149 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C(F)(F)F ZINC001112168021 842853251 /nfs/dbraw/zinc/85/32/51/842853251.db2.gz RACGDJCVUHHSOT-GHMZBOCLSA-N 0 3 362.356 -0.196 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001112168021 842853239 /nfs/dbraw/zinc/85/32/39/842853239.db2.gz RACGDJCVUHHSOT-GHMZBOCLSA-N 0 3 362.356 -0.196 20 0 FBADHN O=C(CNC(=O)c1cccnc1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112169678 842852838 /nfs/dbraw/zinc/85/28/38/842852838.db2.gz JRVDZTMHPBFYAK-VXGBXAGGSA-N 0 3 360.336 -0.217 20 0 FBADHN CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112170421 842853783 /nfs/dbraw/zinc/85/37/83/842853783.db2.gz USGDUUXMKIYIOD-FRRDWIJNSA-N 0 3 369.384 -0.111 20 0 FBADHN CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112170422 842853808 /nfs/dbraw/zinc/85/38/08/842853808.db2.gz USGDUUXMKIYIOD-JHJVBQTASA-N 0 3 369.384 -0.111 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C(F)(F)F ZINC001112171342 836308166 /nfs/dbraw/zinc/30/81/66/836308166.db2.gz FHSCKYDCPMQNPY-IJLUTSLNSA-N 0 3 350.341 -0.062 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C(F)(F)F ZINC001112171343 836309923 /nfs/dbraw/zinc/30/99/23/836309923.db2.gz FHSCKYDCPMQNPY-QJPTWQEYSA-N 0 3 350.341 -0.062 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112171403 842853005 /nfs/dbraw/zinc/85/30/05/842853005.db2.gz HNRLIBQLXFHEEC-IVZWLZJFSA-N 0 3 361.386 -0.715 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112171404 842853285 /nfs/dbraw/zinc/85/32/85/842853285.db2.gz HNRLIBQLXFHEEC-OPRDCNLKSA-N 0 3 361.386 -0.715 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C(F)(F)F ZINC001112171418 842853670 /nfs/dbraw/zinc/85/36/70/842853670.db2.gz ICLHYZWPNMWHIQ-HRDYMLBCSA-N 0 3 352.313 -0.790 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112171504 842852860 /nfs/dbraw/zinc/85/28/60/842852860.db2.gz MCBNRFMLRPJZFH-IVZWLZJFSA-N 0 3 361.386 -0.451 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112171505 842852792 /nfs/dbraw/zinc/85/27/92/842852792.db2.gz MCBNRFMLRPJZFH-OPRDCNLKSA-N 0 3 361.386 -0.451 20 0 FBADHN O=C(Cc1cnc[nH]1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112171659 842853442 /nfs/dbraw/zinc/85/34/42/842853442.db2.gz SVCPNZOXAIZHLK-VXGBXAGGSA-N 0 3 350.341 -0.060 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C(F)(F)F ZINC001112171693 842855184 /nfs/dbraw/zinc/85/51/84/842855184.db2.gz VARGLGDVMYYHMC-KXUCPTDWSA-N 0 3 366.340 -0.400 20 0 FBADHN CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112176016 842855161 /nfs/dbraw/zinc/85/51/61/842855161.db2.gz JTTSBJUJAGBYBO-RKDXNWHRSA-N 0 3 361.386 -0.715 20 0 FBADHN COCC(=O)N[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)C(C)C ZINC001112176082 842855239 /nfs/dbraw/zinc/85/52/39/842855239.db2.gz NCUFKQOXQXIORE-WZRBSPASSA-N 0 3 369.384 -0.255 20 0 FBADHN CN(C)C(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112176830 842854833 /nfs/dbraw/zinc/85/48/33/842854833.db2.gz AQOCVMQGADGGJS-GHMZBOCLSA-N 0 3 355.357 -0.548 20 0 FBADHN CN(C)C(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112176889 836351738 /nfs/dbraw/zinc/35/17/38/836351738.db2.gz DNQWCCYOAOLALA-GHMZBOCLSA-N 0 3 362.356 -0.265 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001112177008 836352611 /nfs/dbraw/zinc/35/26/11/836352611.db2.gz LBERQDTWTZNEJD-GMTAPVOTSA-N 0 3 355.357 -0.549 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001112177009 836353596 /nfs/dbraw/zinc/35/35/96/836353596.db2.gz LBERQDTWTZNEJD-HBNTYKKESA-N 0 3 355.357 -0.549 20 0 FBADHN O=C(C[C@H]1CCC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112177845 836357287 /nfs/dbraw/zinc/35/72/87/836357287.db2.gz DRTGSEMKZQPTKH-IJLUTSLNSA-N 0 3 367.368 -0.357 20 0 FBADHN O=C(C[C@@H]1CCC(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112177846 836357343 /nfs/dbraw/zinc/35/73/43/836357343.db2.gz DRTGSEMKZQPTKH-QJPTWQEYSA-N 0 3 367.368 -0.357 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C(F)(F)F ZINC001112177951 842854385 /nfs/dbraw/zinc/85/43/85/842854385.db2.gz KUKPSMRRQXFLDB-NXEZZACHSA-N 0 3 351.325 -0.336 20 0 FBADHN O=C(C1CC(=O)NC(=O)C1)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112178099 842856333 /nfs/dbraw/zinc/85/63/33/842856333.db2.gz SAUOPLCWCYWYMN-NXEZZACHSA-N 0 3 351.325 -0.600 20 0 FBADHN Cn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)n1 ZINC001112178199 842856614 /nfs/dbraw/zinc/85/66/14/842856614.db2.gz XVKWSQDKDOLILJ-MWLCHTKSSA-N 0 3 351.329 -0.584 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C(F)(F)F ZINC001112178235 842856264 /nfs/dbraw/zinc/85/62/64/842856264.db2.gz ZWSTTXOYLLBAKU-FXPVBKGRSA-N 0 3 351.329 -0.585 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C(F)(F)F ZINC001112178236 842856483 /nfs/dbraw/zinc/85/64/83/842856483.db2.gz ZWSTTXOYLLBAKU-IQJOONFLSA-N 0 3 351.329 -0.585 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CC1 ZINC001112178898 836360324 /nfs/dbraw/zinc/36/03/24/836360324.db2.gz KEQYFFDTJLNTQQ-GHMZBOCLSA-N 0 3 367.368 -0.500 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C2)CC1 ZINC001112179165 836360301 /nfs/dbraw/zinc/36/03/01/836360301.db2.gz YPKHPIZNDQRYAU-GMTAPVOTSA-N 0 3 367.368 -0.501 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C2)CC1 ZINC001112179166 836360232 /nfs/dbraw/zinc/36/02/32/836360232.db2.gz YPKHPIZNDQRYAU-HBNTYKKESA-N 0 3 367.368 -0.501 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C(F)(F)F ZINC001112179656 836360572 /nfs/dbraw/zinc/36/05/72/836360572.db2.gz BUIRAYOZHLDDPK-IJLUTSLNSA-N 0 3 369.384 -0.113 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C(F)(F)F ZINC001112179657 836360216 /nfs/dbraw/zinc/36/02/16/836360216.db2.gz BUIRAYOZHLDDPK-QJPTWQEYSA-N 0 3 369.384 -0.113 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112179688 842856099 /nfs/dbraw/zinc/85/60/99/842856099.db2.gz DIYSHZODBRZSFX-RKDXNWHRSA-N 0 3 352.313 -0.837 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112179762 842856573 /nfs/dbraw/zinc/85/65/73/842856573.db2.gz IIMWKBHGZNLVRT-IVZWLZJFSA-N 0 3 366.340 -0.448 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112179763 842856803 /nfs/dbraw/zinc/85/68/03/842856803.db2.gz IIMWKBHGZNLVRT-OPRDCNLKSA-N 0 3 366.340 -0.448 20 0 FBADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112179784 842856735 /nfs/dbraw/zinc/85/67/35/842856735.db2.gz JRVSDZFYCZSRPD-VXGBXAGGSA-N 0 3 369.384 -0.111 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112179893 842856705 /nfs/dbraw/zinc/85/67/05/842856705.db2.gz QMCIOXXGMYWNRC-NXEZZACHSA-N 0 3 366.340 -0.446 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112179906 842856552 /nfs/dbraw/zinc/85/65/52/842856552.db2.gz RLIPKHUISAGQNX-IVZWLZJFSA-N 0 3 366.340 -0.448 20 0 FBADHN CO[C@H](C)CN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112179907 842856832 /nfs/dbraw/zinc/85/68/32/842856832.db2.gz RLIPKHUISAGQNX-OPRDCNLKSA-N 0 3 366.340 -0.448 20 0 FBADHN O=C(CNC(=O)C1CCOCC1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112180766 836363613 /nfs/dbraw/zinc/36/36/13/836363613.db2.gz NIMALUFAHUXVLQ-VXGBXAGGSA-N 0 3 367.368 -0.500 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NC(N)=O)C1 ZINC001112182096 842856861 /nfs/dbraw/zinc/85/68/61/842856861.db2.gz OKAATGUQAUHUNW-NXEZZACHSA-N 0 3 367.372 -0.498 20 0 FBADHN O=C(CCn1cnnn1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112182788 842856645 /nfs/dbraw/zinc/85/66/45/842856645.db2.gz VAVPCLOVFMOJQO-GHMZBOCLSA-N 0 3 366.344 -0.949 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C(F)(F)F ZINC001112182822 842856177 /nfs/dbraw/zinc/85/61/77/842856177.db2.gz WFTZWIQASJEYAT-GMTAPVOTSA-N 0 3 366.344 -0.951 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C(F)(F)F ZINC001112182825 842855782 /nfs/dbraw/zinc/85/57/82/842855782.db2.gz WFTZWIQASJEYAT-HBNTYKKESA-N 0 3 366.344 -0.951 20 0 FBADHN O=C(Cc1ncc[nH]1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112183373 842858484 /nfs/dbraw/zinc/85/84/84/842858484.db2.gz GFEKJYFDXJTUFN-GHMZBOCLSA-N 0 3 350.341 -0.060 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C(F)(F)F ZINC001112183545 836382930 /nfs/dbraw/zinc/38/29/30/836382930.db2.gz NZAMGVLMLMVQFZ-GMTAPVOTSA-N 0 3 350.341 -0.062 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C(F)(F)F ZINC001112183546 842857643 /nfs/dbraw/zinc/85/76/43/842857643.db2.gz NZAMGVLMLMVQFZ-HBNTYKKESA-N 0 3 350.341 -0.062 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C2)nn1 ZINC001112184849 836386295 /nfs/dbraw/zinc/38/62/95/836386295.db2.gz ICKGVQVPCADUAP-GMTAPVOTSA-N 0 3 365.356 -0.102 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C2)nn1 ZINC001112184850 836385936 /nfs/dbraw/zinc/38/59/36/836385936.db2.gz ICKGVQVPCADUAP-HBNTYKKESA-N 0 3 365.356 -0.102 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)nn1 ZINC001112185196 836386267 /nfs/dbraw/zinc/38/62/67/836386267.db2.gz YTRRSLFGJPONIP-GHMZBOCLSA-N 0 3 365.356 -0.101 20 0 FBADHN O=C(CCn1cnccc1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112186169 842857257 /nfs/dbraw/zinc/85/72/57/842857257.db2.gz VNYZVHOYDDPKFN-VXGBXAGGSA-N 0 3 362.352 -0.005 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112186593 842858335 /nfs/dbraw/zinc/85/83/35/842858335.db2.gz BNJMZVGCXJTYMT-NXEZZACHSA-N 0 3 361.386 -0.761 20 0 FBADHN Cc1nonc1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112187216 842857425 /nfs/dbraw/zinc/85/74/25/842857425.db2.gz UOQTVINLQWQMLI-ZYHUDNBSSA-N 0 3 366.340 -0.092 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C(F)(F)F ZINC001112187274 842857880 /nfs/dbraw/zinc/85/78/80/842857880.db2.gz WDFLOJDTKJHQDR-CKYFFXLPSA-N 0 3 366.340 -0.093 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C(F)(F)F ZINC001112187275 842857396 /nfs/dbraw/zinc/85/73/96/842857396.db2.gz WDFLOJDTKJHQDR-HOSYDEDBSA-N 0 3 366.340 -0.093 20 0 FBADHN Cn1cnnc1COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112187884 842857791 /nfs/dbraw/zinc/85/77/91/842857791.db2.gz CRAZSXDBZSKCAX-GHMZBOCLSA-N 0 3 365.356 -0.307 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C(F)(F)F ZINC001112187895 842857552 /nfs/dbraw/zinc/85/75/52/842857552.db2.gz DIJRSWYZPYVMSZ-GMTAPVOTSA-N 0 3 365.356 -0.309 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C(F)(F)F ZINC001112187896 842858423 /nfs/dbraw/zinc/85/84/23/842858423.db2.gz DIJRSWYZPYVMSZ-HBNTYKKESA-N 0 3 365.356 -0.309 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C(F)(F)F ZINC001112188005 842857838 /nfs/dbraw/zinc/85/78/38/842857838.db2.gz KPFTVMKBTWFBNN-GHMZBOCLSA-N 0 3 365.356 -0.043 20 0 FBADHN C[C@@H](O)CN[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C(F)(F)F ZINC001112188026 842858285 /nfs/dbraw/zinc/85/82/85/842858285.db2.gz MBNLRZHTVAIQAS-GMTAPVOTSA-N 0 3 365.356 -0.309 20 0 FBADHN C[C@H](O)CN[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C(F)(F)F ZINC001112188027 842858248 /nfs/dbraw/zinc/85/82/48/842858248.db2.gz MBNLRZHTVAIQAS-HBNTYKKESA-N 0 3 365.356 -0.309 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C(F)(F)F ZINC001112188036 842857928 /nfs/dbraw/zinc/85/79/28/842857928.db2.gz MGUSEVDKAQNCQK-GHMZBOCLSA-N 0 3 365.356 -0.043 20 0 FBADHN Cn1ncnc1COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112188060 842858197 /nfs/dbraw/zinc/85/81/97/842858197.db2.gz OCEOVXAUOHVGPR-GHMZBOCLSA-N 0 3 365.356 -0.307 20 0 FBADHN Cn1ncnc1COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112188178 842857316 /nfs/dbraw/zinc/85/73/16/842857316.db2.gz XBUDQRPQDTXBEN-NXEZZACHSA-N 0 3 351.329 -0.697 20 0 FBADHN Cn1cnnc1COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112188216 842857339 /nfs/dbraw/zinc/85/73/39/842857339.db2.gz ZQFMWWKRUSEXFC-NXEZZACHSA-N 0 3 351.329 -0.697 20 0 FBADHN O=C(CN1CCC(=O)NC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112189023 842857907 /nfs/dbraw/zinc/85/79/07/842857907.db2.gz LQNCDNOTRNNIHZ-NXEZZACHSA-N 0 3 366.340 -0.710 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112189273 842858060 /nfs/dbraw/zinc/85/80/60/842858060.db2.gz YXMWQFKQGCWSGK-NXEZZACHSA-N 0 3 366.340 -0.446 20 0 FBADHN O=C(CNC(=O)c1cscn1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112190179 842858442 /nfs/dbraw/zinc/85/84/42/842858442.db2.gz OPHMMMUAMOJEJH-RKDXNWHRSA-N 0 3 366.365 -0.156 20 0 FBADHN C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[n-]2)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112191029 836402483 /nfs/dbraw/zinc/40/24/83/836402483.db2.gz DUZIYMJREFTWLX-IVZWLZJFSA-N 0 3 362.356 -0.197 20 0 FBADHN C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2nnc[n-]2)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112191030 836402507 /nfs/dbraw/zinc/40/25/07/836402507.db2.gz DUZIYMJREFTWLX-OPRDCNLKSA-N 0 3 362.356 -0.197 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C(F)(F)F ZINC001112191301 836403817 /nfs/dbraw/zinc/40/38/17/836403817.db2.gz RWZOHPFNZHHHRH-GHMZBOCLSA-N 0 3 365.356 -0.011 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C(F)(F)F ZINC001112191365 842859084 /nfs/dbraw/zinc/85/90/84/842859084.db2.gz VBIBYJRZEBPXPW-IVZWLZJFSA-N 0 3 351.329 -0.667 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C(F)(F)F 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ZINC001112204039 842861317 /nfs/dbraw/zinc/86/13/17/842861317.db2.gz YNNMBNFXBYCKIF-RKDXNWHRSA-N 0 3 361.324 -0.450 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F ZINC001112204709 842861027 /nfs/dbraw/zinc/86/10/27/842861027.db2.gz GRWVEQCUSQQYPD-IVZWLZJFSA-N 0 3 356.345 -0.969 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F ZINC001112204710 842860668 /nfs/dbraw/zinc/86/06/68/842860668.db2.gz GRWVEQCUSQQYPD-OPRDCNLKSA-N 0 3 356.345 -0.969 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F ZINC001112204761 842860850 /nfs/dbraw/zinc/86/08/50/842860850.db2.gz JDXQNBLQRQUBJA-GHMZBOCLSA-N 0 3 370.372 -0.313 20 0 FBADHN NC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112204765 842861134 /nfs/dbraw/zinc/86/11/34/842861134.db2.gz JRXPPBFXFSYDFS-NXEZZACHSA-N 0 3 363.344 -0.685 20 0 FBADHN NC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1 ZINC001112204785 842861927 /nfs/dbraw/zinc/86/19/27/842861927.db2.gz KWPPJJIKSHVQTH-GHMZBOCLSA-N 0 3 362.356 -0.080 20 0 FBADHN NC(=O)NCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112204960 842862657 /nfs/dbraw/zinc/86/26/57/842862657.db2.gz UZQBTZGKUFUWKD-NXEZZACHSA-N 0 3 356.345 -0.967 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C(F)(F)F ZINC001112206130 842863241 /nfs/dbraw/zinc/86/32/41/842863241.db2.gz ISRQMQYGHCJAFV-NXEZZACHSA-N 0 3 365.356 -0.744 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C(F)(F)F ZINC001112206174 836425535 /nfs/dbraw/zinc/42/55/35/836425535.db2.gz KULMBKPLTZXOBR-NXEZZACHSA-N 0 3 364.324 -0.275 20 0 FBADHN Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)c(=O)[nH]c1=O ZINC001112206498 842862498 /nfs/dbraw/zinc/86/24/98/842862498.db2.gz RNTOWLDVQNZHQD-NXEZZACHSA-N 0 3 364.324 -0.539 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C(F)(F)F ZINC001112206998 842862637 /nfs/dbraw/zinc/86/26/37/842862637.db2.gz HXJYYPTWLUGYEL-KXUCPTDWSA-N 0 3 359.370 -0.697 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C(F)(F)F ZINC001112206999 842862450 /nfs/dbraw/zinc/86/24/50/842862450.db2.gz HXJYYPTWLUGYEL-OPRDCNLKSA-N 0 3 359.370 -0.697 20 0 FBADHN O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112207626 836425179 /nfs/dbraw/zinc/42/51/79/836425179.db2.gz XYVANUZLCOSVJF-KXUCPTDWSA-N 0 3 359.370 -0.961 20 0 FBADHN O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112207627 836425190 /nfs/dbraw/zinc/42/51/90/836425190.db2.gz XYVANUZLCOSVJF-OPRDCNLKSA-N 0 3 359.370 -0.961 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C(F)(F)F ZINC001112208338 842862688 /nfs/dbraw/zinc/86/26/88/842862688.db2.gz QCPREIXHEULWDO-NXEZZACHSA-N 0 3 361.386 -0.449 20 0 FBADHN CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112208349 842862606 /nfs/dbraw/zinc/86/26/06/842862606.db2.gz QFVKPEGYNWOYIA-JHJVBQTASA-N 0 3 367.368 -0.405 20 0 FBADHN CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112208350 842863015 /nfs/dbraw/zinc/86/30/15/842863015.db2.gz QFVKPEGYNWOYIA-UPJWGTAASA-N 0 3 367.368 -0.405 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C(F)(F)F ZINC001112208649 842862250 /nfs/dbraw/zinc/86/22/50/842862250.db2.gz XUOITIZEJCFMKX-JHJVBQTASA-N 0 3 367.368 -0.141 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C(F)(F)F ZINC001112208650 842862796 /nfs/dbraw/zinc/86/27/96/842862796.db2.gz XUOITIZEJCFMKX-UPJWGTAASA-N 0 3 367.368 -0.141 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H](C)COC)C1 ZINC001112208669 836426743 /nfs/dbraw/zinc/42/67/43/836426743.db2.gz YLZSQYCSRJTRQW-IVZWLZJFSA-N 0 3 361.386 -0.451 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@H](C)COC)C1 ZINC001112208670 836426538 /nfs/dbraw/zinc/42/65/38/836426538.db2.gz YLZSQYCSRJTRQW-OPRDCNLKSA-N 0 3 361.386 -0.451 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](C)OC)C1 ZINC001112208679 842863135 /nfs/dbraw/zinc/86/31/35/842863135.db2.gz ZDMOWUMQVWHGHF-IVZWLZJFSA-N 0 3 361.386 -0.451 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](C)OC)C1 ZINC001112208680 842862749 /nfs/dbraw/zinc/86/27/49/842862749.db2.gz ZDMOWUMQVWHGHF-OPRDCNLKSA-N 0 3 361.386 -0.451 20 0 FBADHN O=C([C@H]1CCCS1(=O)=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112208972 842862846 /nfs/dbraw/zinc/86/28/46/842862846.db2.gz RFFNUHZJVFASHB-GMTAPVOTSA-N 0 3 358.382 -0.075 20 0 FBADHN O=C([C@@H]1CCCS1(=O)=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112208973 842862524 /nfs/dbraw/zinc/86/25/24/842862524.db2.gz RFFNUHZJVFASHB-MXWKQRLJSA-N 0 3 358.382 -0.075 20 0 FBADHN O=C(CNC(=O)c1ccccn1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112209858 842863953 /nfs/dbraw/zinc/86/39/53/842863953.db2.gz KSIACFFWXMZCEQ-ZYHUDNBSSA-N 0 3 360.336 -0.217 20 0 FBADHN CN(C)S(=O)(=O)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112209914 842864616 /nfs/dbraw/zinc/86/46/16/842864616.db2.gz NIAHAAXFKZWWDH-NXEZZACHSA-N 0 3 361.386 -0.761 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C(F)(F)F ZINC001112211871 842864194 /nfs/dbraw/zinc/86/41/94/842864194.db2.gz ARAICRQQJUKOMP-RKDXNWHRSA-N 0 3 364.328 -0.998 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C(F)(F)F ZINC001112212019 842864212 /nfs/dbraw/zinc/86/42/12/842864212.db2.gz IVGKXMCOKKFXHG-NXEZZACHSA-N 0 3 350.341 -0.037 20 0 FBADHN Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)n(C)c1=O ZINC001112212260 836427254 /nfs/dbraw/zinc/42/72/54/836427254.db2.gz WPUHUUDGETWNAG-NXEZZACHSA-N 0 3 350.341 -0.301 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)NC(N)=O)C1 ZINC001112212324 836428176 /nfs/dbraw/zinc/42/81/76/836428176.db2.gz ZKGZQGKRWQSRTF-NXEZZACHSA-N 0 3 367.372 -0.500 20 0 FBADHN Cc1nonc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112216919 836430340 /nfs/dbraw/zinc/43/03/40/836430340.db2.gz AEOWQLSSAKWARS-NXEZZACHSA-N 0 3 352.313 -0.021 20 0 FBADHN O=C(Cn1ccnc1)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112217005 836430280 /nfs/dbraw/zinc/43/02/80/836430280.db2.gz CBTZDHOWDBWFHD-VXGBXAGGSA-N 0 3 350.341 -0.129 20 0 FBADHN NC(=O)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112217224 842864509 /nfs/dbraw/zinc/86/45/09/842864509.db2.gz HHBQQEADXJWNOK-GHMZBOCLSA-N 0 3 362.356 -0.087 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C(F)(F)F ZINC001112217233 842864423 /nfs/dbraw/zinc/86/44/23/842864423.db2.gz HOGSETSNVBXGTM-IVZWLZJFSA-N 0 3 352.313 -0.022 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C(F)(F)F ZINC001112217236 842864744 /nfs/dbraw/zinc/86/47/44/842864744.db2.gz HOGSETSNVBXGTM-OPRDCNLKSA-N 0 3 352.313 -0.022 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C(F)(F)F ZINC001112217431 842863559 /nfs/dbraw/zinc/86/35/59/842863559.db2.gz LWUKIOYVOSOLPV-IJLUTSLNSA-N 0 3 350.341 -0.131 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C(F)(F)F ZINC001112217434 842864494 /nfs/dbraw/zinc/86/44/94/842864494.db2.gz LWUKIOYVOSOLPV-QJPTWQEYSA-N 0 3 350.341 -0.131 20 0 FBADHN NC(=O)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112217663 836430162 /nfs/dbraw/zinc/43/01/62/836430162.db2.gz RGKJAZSTKJCKDV-GHMZBOCLSA-N 0 3 355.357 -0.370 20 0 FBADHN NC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112218492 842865861 /nfs/dbraw/zinc/86/58/61/842865861.db2.gz DXFKWSIBISWXKG-MXWKQRLJSA-N 0 3 352.357 -0.109 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C(F)(F)F ZINC001112218543 842865805 /nfs/dbraw/zinc/86/58/05/842865805.db2.gz HENCMZGSPQSQAI-GMTAPVOTSA-N 0 3 355.357 -0.372 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C(F)(F)F ZINC001112218544 842865896 /nfs/dbraw/zinc/86/58/96/842865896.db2.gz HENCMZGSPQSQAI-HBNTYKKESA-N 0 3 355.357 -0.372 20 0 FBADHN O=C(CCNC(=O)[C@H]1CCCO1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112218794 836431591 /nfs/dbraw/zinc/43/15/91/836431591.db2.gz UWCHXJOUIAANEL-IJLUTSLNSA-N 0 3 367.368 -0.357 20 0 FBADHN O=C(CCNC(=O)[C@@H]1CCCO1)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112218795 836431025 /nfs/dbraw/zinc/43/10/25/836431025.db2.gz UWCHXJOUIAANEL-UTUOFQBUSA-N 0 3 367.368 -0.357 20 0 FBADHN O=C(C[C@@H]1CC(=O)NC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112220153 836432884 /nfs/dbraw/zinc/43/28/84/836432884.db2.gz OJZFDFGPGNRWGZ-IVZWLZJFSA-N 0 3 351.325 -0.600 20 0 FBADHN O=C(C[C@H]1CC(=O)NC1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112220154 836432416 /nfs/dbraw/zinc/43/24/16/836432416.db2.gz OJZFDFGPGNRWGZ-OPRDCNLKSA-N 0 3 351.325 -0.600 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112220367 842865721 /nfs/dbraw/zinc/86/57/21/842865721.db2.gz WZZYHWMIEFQTGD-IVZWLZJFSA-N 0 3 351.325 -0.336 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001112220368 842865617 /nfs/dbraw/zinc/86/56/17/842865617.db2.gz WZZYHWMIEFQTGD-OPRDCNLKSA-N 0 3 351.325 -0.336 20 0 FBADHN COC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cn(C)nn2)C1 ZINC001112274464 842867490 /nfs/dbraw/zinc/86/74/90/842867490.db2.gz IDFACTGJDJRACZ-LRDDRELGSA-N 0 3 350.423 -0.111 20 0 FBADHN NC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)Nc2nncs2)C1 ZINC001112288145 842869617 /nfs/dbraw/zinc/86/96/17/842869617.db2.gz RUZCQPGFTFNLLJ-BONVTDFDSA-N 0 3 366.447 -0.430 20 0 FBADHN Cn1nncc1CNC[C@]12CCC[C@H]1CN(C(=O)CCS(C)(=O)=O)C2 ZINC001112432580 842874914 /nfs/dbraw/zinc/87/49/14/842874914.db2.gz RRKUZRDFCXLXTN-BBRMVZONSA-N 0 3 369.491 -0.032 20 0 FBADHN Cc1nnc(NC(=O)CNC[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)s1 ZINC001112519873 836041990 /nfs/dbraw/zinc/04/19/90/836041990.db2.gz DJHALCAZXWNXQZ-BONVTDFDSA-N 0 3 366.447 -0.511 20 0 FBADHN NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)Nc2nccs2)C1 ZINC001112519874 836041801 /nfs/dbraw/zinc/04/18/01/836041801.db2.gz DKPXQQVGYJUHGT-BONVTDFDSA-N 0 3 351.432 -0.215 20 0 FBADHN NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)Nc2nncs2)C1 ZINC001112520306 836041719 /nfs/dbraw/zinc/04/17/19/836041719.db2.gz YCPOILSQMRRBKB-XPTSAGLGSA-N 0 3 352.420 -0.820 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cn(C)nn2)C1 ZINC001112580802 839470123 /nfs/dbraw/zinc/47/01/23/839470123.db2.gz GUTXHPBQBXRHDF-WFASDCNBSA-N 0 3 370.479 -0.917 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccn2C)C1 ZINC001112580806 839470458 /nfs/dbraw/zinc/47/04/58/839470458.db2.gz GZGBDDZOVWWLLF-BBRMVZONSA-N 0 3 369.491 -0.312 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nnc(C)[nH]2)C1 ZINC001112581020 839469970 /nfs/dbraw/zinc/46/99/70/839469970.db2.gz RKMMPAPXOZXBLF-WFASDCNBSA-N 0 3 370.479 -0.619 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ccn(C)n2)C1 ZINC001112581063 839469916 /nfs/dbraw/zinc/46/99/16/839469916.db2.gz UORXSLHSHMCROW-BBRMVZONSA-N 0 3 369.491 -0.312 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001114306396 839498378 /nfs/dbraw/zinc/49/83/78/839498378.db2.gz LYXSPZJFCPTQRX-JAAXMTQOSA-N 0 3 357.476 -0.649 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001114426502 841769931 /nfs/dbraw/zinc/76/99/31/841769931.db2.gz NXHIRLUOJAZRRW-NTASLKFISA-N 0 3 367.475 -0.501 20 0 FBADHN CS(=O)(=O)NCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001114426824 841769850 /nfs/dbraw/zinc/76/98/50/841769850.db2.gz UQCZPNWRWYDAIR-SSKLVLDBSA-N 0 3 353.448 -0.891 20 0 FBADHN CN(CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)S(C)(=O)=O ZINC001114427109 841769988 /nfs/dbraw/zinc/76/99/88/841769988.db2.gz YWCMASKXUHRUMM-NTASLKFISA-N 0 3 367.475 -0.549 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCNC(=O)C4CC4)C[C@H]32)O1 ZINC001114451996 841770711 /nfs/dbraw/zinc/77/07/11/841770711.db2.gz BTQUOZXCYUULDI-JZYAIQKZSA-N 0 3 350.463 -0.722 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001114453212 841771554 /nfs/dbraw/zinc/77/15/54/841771554.db2.gz JVIDZEIMYVXPIR-GAGVYUBLSA-N 0 3 352.479 -0.381 20 0 FBADHN CCN(CC)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001114453247 841771510 /nfs/dbraw/zinc/77/15/10/841771510.db2.gz KJOQSBMZUGRPMT-GAGVYUBLSA-N 0 3 352.479 -0.380 20 0 FBADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001114461717 841771344 /nfs/dbraw/zinc/77/13/44/841771344.db2.gz QPICQQDZJOOVOZ-SJHCENCUSA-N 0 3 368.352 -0.612 20 0 FBADHN COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001114601534 842091978 /nfs/dbraw/zinc/09/19/78/842091978.db2.gz CHJSKIHAZNINFK-OVYBAWALSA-N 0 3 354.447 -0.253 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CCC4)C[C@H]32)O1 ZINC001114829045 842093633 /nfs/dbraw/zinc/09/36/33/842093633.db2.gz OVYMHKDMTLITMZ-ZVDSWSACSA-N 0 3 351.447 -0.118 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCCS(=O)(=O)N(C)C)C[C@H]21 ZINC001114852505 842099744 /nfs/dbraw/zinc/09/97/44/842099744.db2.gz QQPTYJLFHTVEFX-MRLBHPIUSA-N 0 3 359.492 -0.261 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCCS(=O)(=O)N(C)C)C[C@H]32)O1 ZINC001114858467 842100923 /nfs/dbraw/zinc/10/09/23/842100923.db2.gz BAZFBGPXTHQBMQ-QMIVOQANSA-N 0 3 359.492 -0.118 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001114860852 842101923 /nfs/dbraw/zinc/10/19/23/842101923.db2.gz BMSBCTINEBEGJG-ODICJLLRSA-N 0 3 371.503 -0.118 20 0 FBADHN CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001114861012 842102049 /nfs/dbraw/zinc/10/20/49/842102049.db2.gz CHHSVZWEEHRLBO-FFRIZKCHSA-N 0 3 351.447 -0.247 20 0 FBADHN CN1CCN(CCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC001115894169 842883872 /nfs/dbraw/zinc/88/38/72/842883872.db2.gz ZSPXYPQEKCTDSG-UHFFFAOYSA-N 0 3 360.505 -0.308 20 0 FBADHN COC(=O)N1CCCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC001115943900 842887467 /nfs/dbraw/zinc/88/74/67/842887467.db2.gz XECHLOZJCGCKHS-UHFFFAOYSA-N 0 3 353.423 -0.266 20 0 FBADHN COCCN1CCC(NC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC001115952281 842887735 /nfs/dbraw/zinc/88/77/35/842887735.db2.gz HKATYSQPDJUDLA-UHFFFAOYSA-N 0 3 359.452 -0.852 20 0 FBADHN COCCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC001115983703 842889681 /nfs/dbraw/zinc/88/96/81/842889681.db2.gz WLGJZQVNFQXEEY-HNNXBMFYSA-N 0 3 354.451 -0.660 20 0 FBADHN COCCN1CCC(NC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC001115983704 842889418 /nfs/dbraw/zinc/88/94/18/842889418.db2.gz WLGJZQVNFQXEEY-OAHLLOKOSA-N 0 3 354.451 -0.660 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001115984768 842889296 /nfs/dbraw/zinc/88/92/96/842889296.db2.gz XVNOHZOFKWEZFD-AWEZNQCLSA-N 0 3 359.492 -0.176 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001115984770 842889547 /nfs/dbraw/zinc/88/95/47/842889547.db2.gz XVNOHZOFKWEZFD-CQSZACIVSA-N 0 3 359.492 -0.176 20 0 FBADHN CN1CCN(CCCNC(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC001115987440 842890440 /nfs/dbraw/zinc/89/04/40/842890440.db2.gz DMFHVSWSCBBHEP-UHFFFAOYSA-N 0 3 354.476 -0.158 20 0 FBADHN COCCN1CCC(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001116014924 842893062 /nfs/dbraw/zinc/89/30/62/842893062.db2.gz FRPSUSOXTCXMJO-UHFFFAOYSA-N 0 3 352.435 -0.018 20 0 FBADHN CN1CCN(CCCNC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001116019313 842893738 /nfs/dbraw/zinc/89/37/38/842893738.db2.gz XVYXERYCBDZQLO-UHFFFAOYSA-N 0 3 354.476 -0.370 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001116030939 842894306 /nfs/dbraw/zinc/89/43/06/842894306.db2.gz BKUPUWCNDKCTEL-UHFFFAOYSA-N 0 3 372.495 -0.984 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001116038227 842895360 /nfs/dbraw/zinc/89/53/60/842895360.db2.gz PGOOIWYSPLGIAN-UHFFFAOYSA-N 0 3 360.524 -0.246 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001116049313 842895751 /nfs/dbraw/zinc/89/57/51/842895751.db2.gz PQQCXCDNKHDSOJ-UHFFFAOYSA-N 0 3 359.492 -0.176 20 0 FBADHN CCN1CCN(CCNC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001116051667 842896550 /nfs/dbraw/zinc/89/65/50/842896550.db2.gz PDAHZCPLQWFHHN-UHFFFAOYSA-N 0 3 351.451 -0.492 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC001116089024 842900603 /nfs/dbraw/zinc/90/06/03/842900603.db2.gz SCSSSDPFBMEKAZ-KBPBESRZSA-N 0 3 351.407 -0.553 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC001116089027 842900629 /nfs/dbraw/zinc/90/06/29/842900629.db2.gz SCSSSDPFBMEKAZ-KGLIPLIRSA-N 0 3 351.407 -0.553 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC001116089029 842900796 /nfs/dbraw/zinc/90/07/96/842900796.db2.gz SCSSSDPFBMEKAZ-UONOGXRCSA-N 0 3 351.407 -0.553 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC001116089030 842900661 /nfs/dbraw/zinc/90/06/61/842900661.db2.gz SCSSSDPFBMEKAZ-ZIAGYGMSSA-N 0 3 351.407 -0.553 20 0 FBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCS(C)(=O)=O ZINC001116103969 842902352 /nfs/dbraw/zinc/90/23/52/842902352.db2.gz POORWEOPUFTCIF-UHFFFAOYSA-N 0 3 357.432 -0.144 20 0 FBADHN O=S(=O)(c1ccc(N2CCCN(CCO)CC2)nc1)N1CCOCC1 ZINC001116114936 842904143 /nfs/dbraw/zinc/90/41/43/842904143.db2.gz DKJBBSNABYFELF-UHFFFAOYSA-N 0 3 370.475 -0.393 20 0 FBADHN C[C@H]1CC[C@H](C)N1CCN1CCN(CCS(=O)(=O)CCC(N)=O)CC1 ZINC001116121729 842904120 /nfs/dbraw/zinc/90/41/20/842904120.db2.gz UFYZZHJVJZXLBB-HOTGVXAUSA-N 0 3 374.551 -0.233 20 0 FBADHN C[C@@H]1CC[C@@H](C)N1CCN1CCN(CCS(=O)(=O)CCC(N)=O)CC1 ZINC001116121730 842904342 /nfs/dbraw/zinc/90/43/42/842904342.db2.gz UFYZZHJVJZXLBB-HZPDHXFCSA-N 0 3 374.551 -0.233 20 0 FBADHN C[C@@H]1CC[C@H](C)N1CCN1CCN(CCS(=O)(=O)CCC(N)=O)CC1 ZINC001116121731 842904312 /nfs/dbraw/zinc/90/43/12/842904312.db2.gz UFYZZHJVJZXLBB-IYBDPMFKSA-N 0 3 374.551 -0.233 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001116136260 842906204 /nfs/dbraw/zinc/90/62/04/842906204.db2.gz UASVQYXIFRUTLH-INIZCTEOSA-N 0 3 372.535 -0.655 20 0 FBADHN CCN1CCN(CCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001116136261 842906581 /nfs/dbraw/zinc/90/65/81/842906581.db2.gz UASVQYXIFRUTLH-MRXNPFEDSA-N 0 3 372.535 -0.655 20 0 FBADHN CNC(=O)Cc1noc(CN2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC001116212792 842913630 /nfs/dbraw/zinc/91/36/30/842913630.db2.gz JGWDQHCVWSTIDS-UHFFFAOYSA-N 0 3 350.423 -0.902 20 0 FBADHN COC1CCN(CCNC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC001116219427 842914228 /nfs/dbraw/zinc/91/42/28/842914228.db2.gz DOKHBHYEOJIAIJ-UHFFFAOYSA-N 0 3 359.452 -0.852 20 0 FBADHN CC(=O)N1CCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001116261894 842919915 /nfs/dbraw/zinc/91/99/15/842919915.db2.gz LOJLFZUALWTGRH-UHFFFAOYSA-N 0 3 360.480 -0.967 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(C)cn(C)c2=O)CC1 ZINC001116291276 842922689 /nfs/dbraw/zinc/92/26/89/842922689.db2.gz AXXSBPSPOWXFEI-UHFFFAOYSA-N 0 3 350.419 -0.141 20 0 FBADHN CNC(=O)Cc1noc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC001116292071 842922841 /nfs/dbraw/zinc/92/28/41/842922841.db2.gz TVQKYTSEGUJMBN-GFCCVEGCSA-N 0 3 350.423 -0.904 20 0 FBADHN CNC(=O)Cc1noc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC001116292072 842922733 /nfs/dbraw/zinc/92/27/33/842922733.db2.gz TVQKYTSEGUJMBN-LBPRGKRZSA-N 0 3 350.423 -0.904 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001116304457 842923941 /nfs/dbraw/zinc/92/39/41/842923941.db2.gz MTCXDTFRYYAOEY-KBPBESRZSA-N 0 3 355.460 -0.300 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001116304459 842923579 /nfs/dbraw/zinc/92/35/79/842923579.db2.gz MTCXDTFRYYAOEY-KGLIPLIRSA-N 0 3 355.460 -0.300 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001116304461 842923808 /nfs/dbraw/zinc/92/38/08/842923808.db2.gz MTCXDTFRYYAOEY-UONOGXRCSA-N 0 3 355.460 -0.300 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001116304465 842923722 /nfs/dbraw/zinc/92/37/22/842923722.db2.gz MTCXDTFRYYAOEY-ZIAGYGMSSA-N 0 3 355.460 -0.300 20 0 FBADHN O=C(CN1CCCC1)N1CCN(CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001116307572 842923871 /nfs/dbraw/zinc/92/38/71/842923871.db2.gz WXJDSBTWGNMUIS-UHFFFAOYSA-N 0 3 359.492 -0.834 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC1 ZINC001116322726 842925414 /nfs/dbraw/zinc/92/54/14/842925414.db2.gz MNMOTOMGVIBSPP-CXAGYDPISA-N 0 3 353.467 -0.103 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)CC1 ZINC001116322727 842925996 /nfs/dbraw/zinc/92/59/96/842925996.db2.gz MNMOTOMGVIBSPP-DYVFJYSZSA-N 0 3 353.467 -0.103 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)CC1 ZINC001116322728 842925851 /nfs/dbraw/zinc/92/58/51/842925851.db2.gz MNMOTOMGVIBSPP-GUYCJALGSA-N 0 3 353.467 -0.103 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC1 ZINC001116322729 842925726 /nfs/dbraw/zinc/92/57/26/842925726.db2.gz MNMOTOMGVIBSPP-SUMWQHHRSA-N 0 3 353.467 -0.103 20 0 FBADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CNC1(CO)CCOCC1 ZINC001116329445 842927058 /nfs/dbraw/zinc/92/70/58/842927058.db2.gz AEZTWMZNMMADHO-UHFFFAOYSA-N 0 3 357.432 -0.288 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccnn1C ZINC001116331980 842926805 /nfs/dbraw/zinc/92/68/05/842926805.db2.gz KOZQBIVEIGLSJU-GFCCVEGCSA-N 0 3 350.423 -0.583 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccnn1C ZINC001116331982 842926601 /nfs/dbraw/zinc/92/66/01/842926601.db2.gz KOZQBIVEIGLSJU-LBPRGKRZSA-N 0 3 350.423 -0.583 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COC2CCOCC2)C1 ZINC001116340819 842927890 /nfs/dbraw/zinc/92/78/90/842927890.db2.gz WWFCUYMLAMVADK-KBPBESRZSA-N 0 3 350.481 -0.196 20 0 FBADHN CS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)COC2CCOCC2)C1 ZINC001116340820 842927638 /nfs/dbraw/zinc/92/76/38/842927638.db2.gz WWFCUYMLAMVADK-KGLIPLIRSA-N 0 3 350.481 -0.196 20 0 FBADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COC2CCOCC2)C1 ZINC001116340821 842928015 /nfs/dbraw/zinc/92/80/15/842928015.db2.gz WWFCUYMLAMVADK-UONOGXRCSA-N 0 3 350.481 -0.196 20 0 FBADHN CS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)COC2CCOCC2)C1 ZINC001116340822 842927459 /nfs/dbraw/zinc/92/74/59/842927459.db2.gz WWFCUYMLAMVADK-ZIAGYGMSSA-N 0 3 350.481 -0.196 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC001116352478 842930117 /nfs/dbraw/zinc/93/01/17/842930117.db2.gz YSHQIWQWAVYEKX-AWEZNQCLSA-N 0 3 361.512 -0.653 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC001116352484 842929877 /nfs/dbraw/zinc/92/98/77/842929877.db2.gz YSHQIWQWAVYEKX-CQSZACIVSA-N 0 3 361.512 -0.653 20 0 FBADHN COC1CCN(CCNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001116368099 842932433 /nfs/dbraw/zinc/93/24/33/842932433.db2.gz DWMXIEPHIROKIH-CYBMUJFWSA-N 0 3 362.496 -0.322 20 0 FBADHN COC1CCN(CCNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001116368100 842932326 /nfs/dbraw/zinc/93/23/26/842932326.db2.gz DWMXIEPHIROKIH-ZDUSSCGKSA-N 0 3 362.496 -0.322 20 0 FBADHN C[C@@H](CNC(=O)NCC1CCS(=O)(=O)CC1)CN1CCN(C)CC1 ZINC001116381174 842934024 /nfs/dbraw/zinc/93/40/24/842934024.db2.gz NTKHRPMNHJEMRC-AWEZNQCLSA-N 0 3 360.524 -0.006 20 0 FBADHN C[C@H](CNC(=O)NCC1CCS(=O)(=O)CC1)CN1CCN(C)CC1 ZINC001116381178 842933940 /nfs/dbraw/zinc/93/39/40/842933940.db2.gz NTKHRPMNHJEMRC-CQSZACIVSA-N 0 3 360.524 -0.006 20 0 FBADHN CCN1CCN(CCC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC001116387900 842935056 /nfs/dbraw/zinc/93/50/56/842935056.db2.gz QMMGZOAXOSGVLO-UHFFFAOYSA-N 0 3 360.524 -0.056 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC1CCN(C(N)=O)CC1 ZINC001116466743 842943752 /nfs/dbraw/zinc/94/37/52/842943752.db2.gz HCIQPLCJXAKURV-UHFFFAOYSA-N 0 3 370.475 -0.068 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CC(=O)NCC(F)(F)F)CC1 ZINC001116506208 842947432 /nfs/dbraw/zinc/94/74/32/842947432.db2.gz HWKPIPZXUJTSGU-LLVKDONJSA-N 0 3 364.368 -0.004 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CC(=O)NCC(F)(F)F)CC1 ZINC001116506209 842947736 /nfs/dbraw/zinc/94/77/36/842947736.db2.gz HWKPIPZXUJTSGU-NSHDSACASA-N 0 3 364.368 -0.004 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cncnc2OC)CC1 ZINC001116536172 842951782 /nfs/dbraw/zinc/95/17/82/842951782.db2.gz CFOWYUXNWKPNKO-GFCCVEGCSA-N 0 3 350.423 -0.434 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cncnc2OC)CC1 ZINC001116536173 842951484 /nfs/dbraw/zinc/95/14/84/842951484.db2.gz CFOWYUXNWKPNKO-LBPRGKRZSA-N 0 3 350.423 -0.434 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC001116542385 842951383 /nfs/dbraw/zinc/95/13/83/842951383.db2.gz IAJNNFIRSGCQFB-UHFFFAOYSA-N 0 3 351.455 -0.275 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC001116556515 842952647 /nfs/dbraw/zinc/95/26/47/842952647.db2.gz PJCILHCDOJGLCM-UHFFFAOYSA-N 0 3 351.455 -0.275 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)COC3CCOCC3)C2)nn1 ZINC001116581169 842955709 /nfs/dbraw/zinc/95/57/09/842955709.db2.gz NTJFIPSRSHJGBL-CHWSQXEVSA-N 0 3 354.407 -0.132 20 0 FBADHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)COC3CCOCC3)C2)nn1 ZINC001116581170 842955748 /nfs/dbraw/zinc/95/57/48/842955748.db2.gz NTJFIPSRSHJGBL-OLZOCXBDSA-N 0 3 354.407 -0.132 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(C[C@@H](O)COC3CCOCC3)C2)nn1 ZINC001116581171 842955422 /nfs/dbraw/zinc/95/54/22/842955422.db2.gz NTJFIPSRSHJGBL-QWHCGFSZSA-N 0 3 354.407 -0.132 20 0 FBADHN COC(=O)c1cn([C@H]2CCN(C[C@H](O)COC3CCOCC3)C2)nn1 ZINC001116581172 842955789 /nfs/dbraw/zinc/95/57/89/842955789.db2.gz NTJFIPSRSHJGBL-STQMWFEESA-N 0 3 354.407 -0.132 20 0 FBADHN CN1CCN(CC2(C)CCN(CCS(=O)(=O)CCC(N)=O)CC2)CC1 ZINC001116581998 842955724 /nfs/dbraw/zinc/95/57/24/842955724.db2.gz XEHLFSXWOGEIKO-UHFFFAOYSA-N 0 3 374.551 -0.374 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001116619057 842958600 /nfs/dbraw/zinc/95/86/00/842958600.db2.gz IITUPLIANSWYSM-DZGCQCFKSA-N 0 3 363.480 -0.664 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001116619058 842958489 /nfs/dbraw/zinc/95/84/89/842958489.db2.gz IITUPLIANSWYSM-HIFRSBDPSA-N 0 3 363.480 -0.664 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001116619059 842958659 /nfs/dbraw/zinc/95/86/59/842958659.db2.gz IITUPLIANSWYSM-UKRRQHHQSA-N 0 3 363.480 -0.664 20 0 FBADHN CCN(CCO)CCNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001116619060 842958197 /nfs/dbraw/zinc/95/81/97/842958197.db2.gz IITUPLIANSWYSM-ZFWWWQNUSA-N 0 3 363.480 -0.664 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCOCCS(C)(=O)=O ZINC001116630513 842959312 /nfs/dbraw/zinc/95/93/12/842959312.db2.gz HEPGBFUEUFJTRA-AWEZNQCLSA-N 0 3 364.512 -0.627 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCOCCS(C)(=O)=O ZINC001116630521 842959416 /nfs/dbraw/zinc/95/94/16/842959416.db2.gz HEPGBFUEUFJTRA-CQSZACIVSA-N 0 3 364.512 -0.627 20 0 FBADHN COc1cc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)ncn1 ZINC001116631503 842959237 /nfs/dbraw/zinc/95/92/37/842959237.db2.gz CJBACUMHHIBJFB-GFCCVEGCSA-N 0 3 350.423 -0.434 20 0 FBADHN COc1cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)ncn1 ZINC001116631504 842959462 /nfs/dbraw/zinc/95/94/62/842959462.db2.gz CJBACUMHHIBJFB-LBPRGKRZSA-N 0 3 350.423 -0.434 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC001116644541 842960677 /nfs/dbraw/zinc/96/06/77/842960677.db2.gz CTBNBYYKZLNPHB-UHFFFAOYSA-N 0 3 357.432 -0.541 20 0 FBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)CC)c1 ZINC001116645691 842960197 /nfs/dbraw/zinc/96/01/97/842960197.db2.gz RGEWTINGUVNGSJ-UHFFFAOYSA-N 0 3 371.459 -0.151 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCCN1C(=O)CNC1=O ZINC001116656789 842961893 /nfs/dbraw/zinc/96/18/93/842961893.db2.gz OBLLGNVMLSFELP-CYBMUJFWSA-N 0 3 354.455 -0.747 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCCN1C(=O)CNC1=O ZINC001116656793 842961653 /nfs/dbraw/zinc/96/16/53/842961653.db2.gz OBLLGNVMLSFELP-ZDUSSCGKSA-N 0 3 354.455 -0.747 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001116659193 842961498 /nfs/dbraw/zinc/96/14/98/842961498.db2.gz HSIQVUFSUNUCHK-CYBMUJFWSA-N 0 3 372.495 -0.937 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001116659194 842961734 /nfs/dbraw/zinc/96/17/34/842961734.db2.gz HSIQVUFSUNUCHK-ZDUSSCGKSA-N 0 3 372.495 -0.937 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC001116659511 842961624 /nfs/dbraw/zinc/96/16/24/842961624.db2.gz JBGQEOWCOPKBFN-CYBMUJFWSA-N 0 3 361.512 -0.956 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC001116659518 842961260 /nfs/dbraw/zinc/96/12/60/842961260.db2.gz JBGQEOWCOPKBFN-ZDUSSCGKSA-N 0 3 361.512 -0.956 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001116715083 842970557 /nfs/dbraw/zinc/97/05/57/842970557.db2.gz ATMNAQLHJIEXAB-UHFFFAOYSA-N 0 3 371.463 -0.581 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCC2CS(=O)(=O)C2)CC1 ZINC001116722827 842971748 /nfs/dbraw/zinc/97/17/48/842971748.db2.gz RGYUFEHKBJXANT-AWEZNQCLSA-N 0 3 360.524 -0.006 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)NCCC2CS(=O)(=O)C2)CC1 ZINC001116722828 842972306 /nfs/dbraw/zinc/97/23/06/842972306.db2.gz RGYUFEHKBJXANT-CQSZACIVSA-N 0 3 360.524 -0.006 20 0 FBADHN C[C@@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCS1(=O)=O ZINC001116772414 842979277 /nfs/dbraw/zinc/97/92/77/842979277.db2.gz SJVRQHUAUKEZAT-GFCCVEGCSA-N 0 3 358.464 -0.531 20 0 FBADHN C[C@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCS1(=O)=O ZINC001116772415 842979696 /nfs/dbraw/zinc/97/96/96/842979696.db2.gz SJVRQHUAUKEZAT-LBPRGKRZSA-N 0 3 358.464 -0.531 20 0 FBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001116842941 842986391 /nfs/dbraw/zinc/98/63/91/842986391.db2.gz NSFJLAFSIZTTOG-ZDUSSCGKSA-N 0 3 374.507 -0.228 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC001116897005 842994194 /nfs/dbraw/zinc/99/41/94/842994194.db2.gz XQBCLNMVKKSDEI-INIZCTEOSA-N 0 3 371.459 -0.904 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC001116897017 842994334 /nfs/dbraw/zinc/99/43/34/842994334.db2.gz XQBCLNMVKKSDEI-MRXNPFEDSA-N 0 3 371.459 -0.904 20 0 FBADHN CN1CCN(CCC(C)(C)NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001116912542 842997048 /nfs/dbraw/zinc/99/70/48/842997048.db2.gz ISJCIGHNLIPUQC-UHFFFAOYSA-N 0 3 372.495 -0.937 20 0 FBADHN CN1CCN(CCCCNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC001116913933 842997068 /nfs/dbraw/zinc/99/70/68/842997068.db2.gz IIDHNBRLOBXTFH-AWEZNQCLSA-N 0 3 361.512 -0.524 20 0 FBADHN CN1CCN(CCCCNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001116913934 842996981 /nfs/dbraw/zinc/99/69/81/842996981.db2.gz IIDHNBRLOBXTFH-CQSZACIVSA-N 0 3 361.512 -0.524 20 0 FBADHN CN1CCN(CCNC(=O)N2CCC(S(N)(=O)=O)CC2)CC1(C)C ZINC001116914512 842996864 /nfs/dbraw/zinc/99/68/64/842996864.db2.gz TXNPRTRGRVNYOS-UHFFFAOYSA-N 0 3 361.512 -0.525 20 0 FBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C ZINC001116922881 842998943 /nfs/dbraw/zinc/99/89/43/842998943.db2.gz DUBOXHHIDQNYNG-CHWSQXEVSA-N 0 3 372.495 -0.416 20 0 FBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C ZINC001116922882 842999159 /nfs/dbraw/zinc/99/91/59/842999159.db2.gz DUBOXHHIDQNYNG-OLZOCXBDSA-N 0 3 372.495 -0.416 20 0 FBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C ZINC001116922883 842999001 /nfs/dbraw/zinc/99/90/01/842999001.db2.gz DUBOXHHIDQNYNG-QWHCGFSZSA-N 0 3 372.495 -0.416 20 0 FBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C ZINC001116922884 842999121 /nfs/dbraw/zinc/99/91/21/842999121.db2.gz DUBOXHHIDQNYNG-STQMWFEESA-N 0 3 372.495 -0.416 20 0 FBADHN CC(C)OC(=O)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001117001373 843012440 /nfs/dbraw/zinc/01/24/40/843012440.db2.gz TYRMRWXXRGSZLV-UHFFFAOYSA-N 0 3 356.467 -0.414 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC001117008625 843013196 /nfs/dbraw/zinc/01/31/96/843013196.db2.gz PFWRULCHMBYUSY-UHFFFAOYSA-N 0 3 356.448 -0.306 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC001117015451 843015203 /nfs/dbraw/zinc/01/52/03/843015203.db2.gz LPMZFKCHLSMGBC-UHFFFAOYSA-N 0 3 370.475 -0.590 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001117017009 843015526 /nfs/dbraw/zinc/01/55/26/843015526.db2.gz IVOCLNXMFDEPAE-KBPBESRZSA-N 0 3 374.507 -0.768 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001117017010 843015431 /nfs/dbraw/zinc/01/54/31/843015431.db2.gz IVOCLNXMFDEPAE-KGLIPLIRSA-N 0 3 374.507 -0.768 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001117017011 843015282 /nfs/dbraw/zinc/01/52/82/843015282.db2.gz IVOCLNXMFDEPAE-UONOGXRCSA-N 0 3 374.507 -0.768 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001117017012 843015873 /nfs/dbraw/zinc/01/58/73/843015873.db2.gz IVOCLNXMFDEPAE-ZIAGYGMSSA-N 0 3 374.507 -0.768 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001117017424 843015184 /nfs/dbraw/zinc/01/51/84/843015184.db2.gz PEAXUPRDFDKNCN-CYBMUJFWSA-N 0 3 374.507 -0.625 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001117017425 843015147 /nfs/dbraw/zinc/01/51/47/843015147.db2.gz PEAXUPRDFDKNCN-ZDUSSCGKSA-N 0 3 374.507 -0.625 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001117017844 843016653 /nfs/dbraw/zinc/01/66/53/843016653.db2.gz WBZVUVRLYAVONE-KBPBESRZSA-N 0 3 374.507 -0.673 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001117017845 843016776 /nfs/dbraw/zinc/01/67/76/843016776.db2.gz WBZVUVRLYAVONE-KGLIPLIRSA-N 0 3 374.507 -0.673 20 0 FBADHN COCCN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1=O ZINC001117017975 843016670 /nfs/dbraw/zinc/01/66/70/843016670.db2.gz XTYUPAVYOHCIIP-UHFFFAOYSA-N 0 3 354.451 -0.848 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC001117022232 843016145 /nfs/dbraw/zinc/01/61/45/843016145.db2.gz IKMRTUTWZVWXSW-RUZDIDTESA-N 0 3 374.551 -0.206 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC001117022233 843016402 /nfs/dbraw/zinc/01/64/02/843016402.db2.gz IKMRTUTWZVWXSW-VWLOTQADSA-N 0 3 374.551 -0.206 20 0 FBADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001117022814 843016555 /nfs/dbraw/zinc/01/65/55/843016555.db2.gz QBHKOIHQJBBFBF-CVEARBPZSA-N 0 3 354.495 -0.250 20 0 FBADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001117022815 843016535 /nfs/dbraw/zinc/01/65/35/843016535.db2.gz QBHKOIHQJBBFBF-HOTGVXAUSA-N 0 3 354.495 -0.250 20 0 FBADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001117022816 843016170 /nfs/dbraw/zinc/01/61/70/843016170.db2.gz QBHKOIHQJBBFBF-HZPDHXFCSA-N 0 3 354.495 -0.250 20 0 FBADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001117022817 843016498 /nfs/dbraw/zinc/01/64/98/843016498.db2.gz QBHKOIHQJBBFBF-JKSUJKDBSA-N 0 3 354.495 -0.250 20 0 FBADHN CC(C)OC[C@H](CO)N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC001117030320 843018742 /nfs/dbraw/zinc/01/87/42/843018742.db2.gz HUISYHWHRLLDLM-BBRMVZONSA-N 0 3 361.508 -0.216 20 0 FBADHN CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC001117030321 843018429 /nfs/dbraw/zinc/01/84/29/843018429.db2.gz HUISYHWHRLLDLM-CJNGLKHVSA-N 0 3 361.508 -0.216 20 0 FBADHN CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC001117030322 843018666 /nfs/dbraw/zinc/01/86/66/843018666.db2.gz HUISYHWHRLLDLM-CZUORRHYSA-N 0 3 361.508 -0.216 20 0 FBADHN CC(C)OC[C@H](CO)N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC001117030323 843018568 /nfs/dbraw/zinc/01/85/68/843018568.db2.gz HUISYHWHRLLDLM-XJKSGUPXSA-N 0 3 361.508 -0.216 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CCSC1 ZINC001117030356 843018635 /nfs/dbraw/zinc/01/86/35/843018635.db2.gz IXRKWIYEVPICOG-BFQNTYOBSA-N 0 3 370.475 -0.503 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CCSC1 ZINC001117030357 843018849 /nfs/dbraw/zinc/01/88/49/843018849.db2.gz IXRKWIYEVPICOG-WQGACYEGSA-N 0 3 370.475 -0.503 20 0 FBADHN CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC001117030771 843018702 /nfs/dbraw/zinc/01/87/02/843018702.db2.gz OHNCODBBPFJBRW-PBHICJAKSA-N 0 3 370.519 -0.133 20 0 FBADHN CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC001117030772 843018406 /nfs/dbraw/zinc/01/84/06/843018406.db2.gz OHNCODBBPFJBRW-RHSMWYFYSA-N 0 3 370.519 -0.133 20 0 FBADHN CC(=O)N1CC[C@@H](CN(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC001117030773 843018472 /nfs/dbraw/zinc/01/84/72/843018472.db2.gz OHNCODBBPFJBRW-WMLDXEAASA-N 0 3 370.519 -0.133 20 0 FBADHN CC(=O)N1CC[C@@H](CN(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC001117030774 843018370 /nfs/dbraw/zinc/01/83/70/843018370.db2.gz OHNCODBBPFJBRW-YOEHRIQHSA-N 0 3 370.519 -0.133 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)CCSC1 ZINC001117030791 843018487 /nfs/dbraw/zinc/01/84/87/843018487.db2.gz OSWSNMYILRBDPS-GWCFXTLKSA-N 0 3 351.419 -0.232 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)CCSC1 ZINC001117030792 843018499 /nfs/dbraw/zinc/01/84/99/843018499.db2.gz OSWSNMYILRBDPS-GXFFZTMASA-N 0 3 351.419 -0.232 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CCSC1 ZINC001117030793 843018691 /nfs/dbraw/zinc/01/86/91/843018691.db2.gz OSWSNMYILRBDPS-MFKMUULPSA-N 0 3 351.419 -0.232 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CCSC1 ZINC001117030794 843018436 /nfs/dbraw/zinc/01/84/36/843018436.db2.gz OSWSNMYILRBDPS-ZWNOBZJWSA-N 0 3 351.419 -0.232 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCSC1 ZINC001117031973 843018873 /nfs/dbraw/zinc/01/88/73/843018873.db2.gz WRRMEZWSPJGSOY-BDJLRTHQSA-N 0 3 354.476 -0.581 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCSC1 ZINC001117031975 843018548 /nfs/dbraw/zinc/01/85/48/843018548.db2.gz WRRMEZWSPJGSOY-BZNIZROVSA-N 0 3 354.476 -0.581 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCSC1 ZINC001117031977 843018822 /nfs/dbraw/zinc/01/88/22/843018822.db2.gz WRRMEZWSPJGSOY-MEDUHNTESA-N 0 3 354.476 -0.581 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCSC1 ZINC001117031980 843018288 /nfs/dbraw/zinc/01/82/88/843018288.db2.gz WRRMEZWSPJGSOY-ZBEGNZNMSA-N 0 3 354.476 -0.581 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001117035671 843019814 /nfs/dbraw/zinc/01/98/14/843019814.db2.gz JDYOHANGBSIOSR-CYBMUJFWSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001117035672 843019857 /nfs/dbraw/zinc/01/98/57/843019857.db2.gz JDYOHANGBSIOSR-ZDUSSCGKSA-N 0 3 374.507 -0.483 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001117037103 843019601 /nfs/dbraw/zinc/01/96/01/843019601.db2.gz BNIDODCBJHZUEE-CHWSQXEVSA-N 0 3 360.480 -0.873 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001117037105 843019460 /nfs/dbraw/zinc/01/94/60/843019460.db2.gz BNIDODCBJHZUEE-OLZOCXBDSA-N 0 3 360.480 -0.873 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001117037108 843019641 /nfs/dbraw/zinc/01/96/41/843019641.db2.gz BNIDODCBJHZUEE-QWHCGFSZSA-N 0 3 360.480 -0.873 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001117037111 843019334 /nfs/dbraw/zinc/01/93/34/843019334.db2.gz BNIDODCBJHZUEE-STQMWFEESA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001117037142 843019584 /nfs/dbraw/zinc/01/95/84/843019584.db2.gz CBEHMKZSWVABBV-CYBMUJFWSA-N 0 3 354.451 -0.530 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001117037145 843019870 /nfs/dbraw/zinc/01/98/70/843019870.db2.gz CBEHMKZSWVABBV-ZDUSSCGKSA-N 0 3 354.451 -0.530 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001117037339 843019700 /nfs/dbraw/zinc/01/97/00/843019700.db2.gz FFNCCFHOFCVFJD-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001117037340 843019777 /nfs/dbraw/zinc/01/97/77/843019777.db2.gz FFNCCFHOFCVFJD-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001117037341 843019511 /nfs/dbraw/zinc/01/95/11/843019511.db2.gz FFNCCFHOFCVFJD-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001117037342 843019391 /nfs/dbraw/zinc/01/93/91/843019391.db2.gz FFNCCFHOFCVFJD-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001117037421 843019382 /nfs/dbraw/zinc/01/93/82/843019382.db2.gz GSEWFEJPGKJHCA-KBPBESRZSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001117037422 843019407 /nfs/dbraw/zinc/01/94/07/843019407.db2.gz GSEWFEJPGKJHCA-KGLIPLIRSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001117037423 843019893 /nfs/dbraw/zinc/01/98/93/843019893.db2.gz GSEWFEJPGKJHCA-UONOGXRCSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001117037424 843019450 /nfs/dbraw/zinc/01/94/50/843019450.db2.gz GSEWFEJPGKJHCA-ZIAGYGMSSA-N 0 3 353.467 -0.103 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001117042196 843020895 /nfs/dbraw/zinc/02/08/95/843020895.db2.gz UTYAMZHLQJGTFL-MCIONIFRSA-N 0 3 357.476 -0.378 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001117042198 843020637 /nfs/dbraw/zinc/02/06/37/843020637.db2.gz UTYAMZHLQJGTFL-MJBXVCDLSA-N 0 3 357.476 -0.378 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001117042337 843021056 /nfs/dbraw/zinc/02/10/56/843021056.db2.gz WVOIRVLQTOCDGV-CHWSQXEVSA-N 0 3 359.492 -0.226 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001117042338 843021027 /nfs/dbraw/zinc/02/10/27/843021027.db2.gz WVOIRVLQTOCDGV-OLZOCXBDSA-N 0 3 359.492 -0.226 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001117042339 843020842 /nfs/dbraw/zinc/02/08/42/843020842.db2.gz WVOIRVLQTOCDGV-QWHCGFSZSA-N 0 3 359.492 -0.226 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001117042340 843020192 /nfs/dbraw/zinc/02/01/92/843020192.db2.gz WVOIRVLQTOCDGV-STQMWFEESA-N 0 3 359.492 -0.226 20 0 FBADHN CN(CCn1cccn1)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001117042637 843020943 /nfs/dbraw/zinc/02/09/43/843020943.db2.gz BMILYRLFMQQBSA-UHFFFAOYSA-N 0 3 350.467 -0.515 20 0 FBADHN CO[C@]1(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)CCOC1 ZINC001117042816 843020404 /nfs/dbraw/zinc/02/04/04/843020404.db2.gz CTIZQQGQHKPPLD-KRWDZBQOSA-N 0 3 356.467 -0.948 20 0 FBADHN CO[C@@]1(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)CCOC1 ZINC001117042817 843020547 /nfs/dbraw/zinc/02/05/47/843020547.db2.gz CTIZQQGQHKPPLD-QGZVFWFLSA-N 0 3 356.467 -0.948 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1 ZINC001117043935 843020752 /nfs/dbraw/zinc/02/07/52/843020752.db2.gz RNCCMCFOPWPFQX-GOSISDBHSA-N 0 3 352.479 -0.231 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1 ZINC001117043936 843020299 /nfs/dbraw/zinc/02/02/99/843020299.db2.gz RNCCMCFOPWPFQX-SFHVURJKSA-N 0 3 352.479 -0.231 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)NCc2ncccc2F)CC1 ZINC001117044466 843021785 /nfs/dbraw/zinc/02/17/85/843021785.db2.gz YLROHWYBJDMZTE-UHFFFAOYSA-N 0 3 351.426 -0.019 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)c1nnc2n1CCC2 ZINC001117051914 843023027 /nfs/dbraw/zinc/02/30/27/843023027.db2.gz ADVIZBQQGVOIMM-BDJLRTHQSA-N 0 3 366.491 -0.045 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)c1nnc2n1CCC2 ZINC001117051915 843023054 /nfs/dbraw/zinc/02/30/54/843023054.db2.gz ADVIZBQQGVOIMM-BZNIZROVSA-N 0 3 366.491 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)c1nnc2n1CCC2 ZINC001117051916 843022471 /nfs/dbraw/zinc/02/24/71/843022471.db2.gz ADVIZBQQGVOIMM-MEDUHNTESA-N 0 3 366.491 -0.045 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)c1nnc2n1CCC2 ZINC001117051917 843023115 /nfs/dbraw/zinc/02/31/15/843023115.db2.gz ADVIZBQQGVOIMM-ZBEGNZNMSA-N 0 3 366.491 -0.045 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2nnnn2CC2CC2)CCSC1 ZINC001117052644 843023005 /nfs/dbraw/zinc/02/30/05/843023005.db2.gz NXTWITPDQHNLCT-HNNXBMFYSA-N 0 3 367.479 -0.747 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2nnnn2CC2CC2)CCSC1 ZINC001117052645 843022497 /nfs/dbraw/zinc/02/24/97/843022497.db2.gz NXTWITPDQHNLCT-OAHLLOKOSA-N 0 3 367.479 -0.747 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCC(=O)NC(C)(C)C)CCSC1 ZINC001117052670 843022708 /nfs/dbraw/zinc/02/27/08/843022708.db2.gz OKSTVKYGGOCWSU-INIZCTEOSA-N 0 3 358.508 -0.039 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCC(=O)NC(C)(C)C)CCSC1 ZINC001117052671 843022395 /nfs/dbraw/zinc/02/23/95/843022395.db2.gz OKSTVKYGGOCWSU-MRXNPFEDSA-N 0 3 358.508 -0.039 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)CCSC1 ZINC001117053142 843022961 /nfs/dbraw/zinc/02/29/61/843022961.db2.gz WRKXNQVYWIBJQG-CXAGYDPISA-N 0 3 368.503 -0.237 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)CCSC1 ZINC001117053143 843022456 /nfs/dbraw/zinc/02/24/56/843022456.db2.gz WRKXNQVYWIBJQG-DYVFJYSZSA-N 0 3 368.503 -0.237 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)CCSC1 ZINC001117053145 843022530 /nfs/dbraw/zinc/02/25/30/843022530.db2.gz WRKXNQVYWIBJQG-GUYCJALGSA-N 0 3 368.503 -0.237 20 0 FBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)CCSC1 ZINC001117053147 843022629 /nfs/dbraw/zinc/02/26/29/843022629.db2.gz WRKXNQVYWIBJQG-SUMWQHHRSA-N 0 3 368.503 -0.237 20 0 FBADHN COC(=O)N1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC001117053292 843023705 /nfs/dbraw/zinc/02/37/05/843023705.db2.gz YUFGJLPFGPZMMI-HNNXBMFYSA-N 0 3 358.464 -0.550 20 0 FBADHN COC(=O)N1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC001117053294 843023907 /nfs/dbraw/zinc/02/39/07/843023907.db2.gz YUFGJLPFGPZMMI-OAHLLOKOSA-N 0 3 358.464 -0.550 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001117055921 843024872 /nfs/dbraw/zinc/02/48/72/843024872.db2.gz BBDJMSLBKZEONL-UHFFFAOYSA-N 0 3 374.507 -0.531 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCc1ccnn1C)CN1CCN(C)CC1 ZINC001117059761 843026137 /nfs/dbraw/zinc/02/61/37/843026137.db2.gz KPGJEBWDSRDQTP-AWEZNQCLSA-N 0 3 350.467 -0.922 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCc1ccnn1C)CN1CCN(C)CC1 ZINC001117059762 843025810 /nfs/dbraw/zinc/02/58/10/843025810.db2.gz KPGJEBWDSRDQTP-CQSZACIVSA-N 0 3 350.467 -0.922 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@](F)(CO)C2)CC1 ZINC001117059792 843026208 /nfs/dbraw/zinc/02/62/08/843026208.db2.gz LERDBKFROPTROM-PBHICJAKSA-N 0 3 358.458 -0.691 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@](F)(CO)C2)CC1 ZINC001117059793 843025719 /nfs/dbraw/zinc/02/57/19/843025719.db2.gz LERDBKFROPTROM-RHSMWYFYSA-N 0 3 358.458 -0.691 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@](F)(CO)C2)CC1 ZINC001117059794 843026290 /nfs/dbraw/zinc/02/62/90/843026290.db2.gz LERDBKFROPTROM-WMLDXEAASA-N 0 3 358.458 -0.691 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@](F)(CO)C2)CC1 ZINC001117059795 843025899 /nfs/dbraw/zinc/02/58/99/843025899.db2.gz LERDBKFROPTROM-YOEHRIQHSA-N 0 3 358.458 -0.691 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)CC1)CN1CCN(C)CC1 ZINC001117059969 843025638 /nfs/dbraw/zinc/02/56/38/843025638.db2.gz PEYVOUYCRPQTCC-CRAIPNDOSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)CC1)CN1CCN(C)CC1 ZINC001117059970 843025773 /nfs/dbraw/zinc/02/57/73/843025773.db2.gz PEYVOUYCRPQTCC-MAUKXSAKSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@](C)(O)CC1)CN1CCN(C)CC1 ZINC001117059971 843026077 /nfs/dbraw/zinc/02/60/77/843026077.db2.gz PEYVOUYCRPQTCC-QAPCUYQASA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@](C)(O)CC1)CN1CCN(C)CC1 ZINC001117059972 843025682 /nfs/dbraw/zinc/02/56/82/843025682.db2.gz PEYVOUYCRPQTCC-YJBOKZPZSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCc1cccc(F)n1)CN1CCN(C)CC1 ZINC001117060434 843026173 /nfs/dbraw/zinc/02/61/73/843026173.db2.gz YFWWUVMDXASBNJ-CYBMUJFWSA-N 0 3 351.426 -0.163 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(F)n1)CN1CCN(C)CC1 ZINC001117060435 843026250 /nfs/dbraw/zinc/02/62/50/843026250.db2.gz YFWWUVMDXASBNJ-ZDUSSCGKSA-N 0 3 351.426 -0.163 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCCCC(=O)NC2CC2)CC1 ZINC001117062795 843025849 /nfs/dbraw/zinc/02/58/49/843025849.db2.gz BNIAAEDJHPIYIA-UHFFFAOYSA-N 0 3 354.451 -0.612 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC1CCOCC1 ZINC001117063322 843027198 /nfs/dbraw/zinc/02/71/98/843027198.db2.gz YAQDGEWQRNDVKZ-AWEZNQCLSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC1CCOCC1 ZINC001117063323 843026911 /nfs/dbraw/zinc/02/69/11/843026911.db2.gz YAQDGEWQRNDVKZ-CQSZACIVSA-N 0 3 354.451 -0.660 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001117067691 843027979 /nfs/dbraw/zinc/02/79/79/843027979.db2.gz ICWCGHRQJSHIIT-KBPBESRZSA-N 0 3 359.492 -0.082 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001117067693 843027777 /nfs/dbraw/zinc/02/77/77/843027777.db2.gz ICWCGHRQJSHIIT-KGLIPLIRSA-N 0 3 359.492 -0.082 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001117067695 843027738 /nfs/dbraw/zinc/02/77/38/843027738.db2.gz ICWCGHRQJSHIIT-UONOGXRCSA-N 0 3 359.492 -0.082 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001117067699 843028355 /nfs/dbraw/zinc/02/83/55/843028355.db2.gz ICWCGHRQJSHIIT-ZIAGYGMSSA-N 0 3 359.492 -0.082 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C)C1 ZINC001117070419 843029416 /nfs/dbraw/zinc/02/94/16/843029416.db2.gz ZXLUHGCCLXCDGG-HZSPNIEDSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C)C1 ZINC001117070420 843029534 /nfs/dbraw/zinc/02/95/34/843029534.db2.gz ZXLUHGCCLXCDGG-MCIONIFRSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C)C1 ZINC001117070421 843029098 /nfs/dbraw/zinc/02/90/98/843029098.db2.gz ZXLUHGCCLXCDGG-MGPQQGTHSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C)C1 ZINC001117070422 843029693 /nfs/dbraw/zinc/02/96/93/843029693.db2.gz ZXLUHGCCLXCDGG-RDBSUJKOSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H](Cn1ccnc1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC001117075492 843030219 /nfs/dbraw/zinc/03/02/19/843030219.db2.gz IONUUDQLKBUCQP-HNNXBMFYSA-N 0 3 350.467 -0.516 20 0 FBADHN C[C@H](Cn1ccnc1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC001117075493 843030417 /nfs/dbraw/zinc/03/04/17/843030417.db2.gz IONUUDQLKBUCQP-OAHLLOKOSA-N 0 3 350.467 -0.516 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC001117076848 843031560 /nfs/dbraw/zinc/03/15/60/843031560.db2.gz TWYVSABLFZTDIN-UHFFFAOYSA-N 0 3 362.496 -0.627 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCc1cnn(C)c1)CN1CCN(C)CC1 ZINC001117085655 843032841 /nfs/dbraw/zinc/03/28/41/843032841.db2.gz JJHAIQDOFFBVJH-AWEZNQCLSA-N 0 3 350.467 -0.922 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCc1cnn(C)c1)CN1CCN(C)CC1 ZINC001117085656 843032600 /nfs/dbraw/zinc/03/26/00/843032600.db2.gz JJHAIQDOFFBVJH-CQSZACIVSA-N 0 3 350.467 -0.922 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCc1cscn1)CN1CCN(C)CC1 ZINC001117085799 843032229 /nfs/dbraw/zinc/03/22/29/843032229.db2.gz LQDIYJJUAKLPDV-CYBMUJFWSA-N 0 3 353.492 -0.199 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCc1cscn1)CN1CCN(C)CC1 ZINC001117085800 843032548 /nfs/dbraw/zinc/03/25/48/843032548.db2.gz LQDIYJJUAKLPDV-ZDUSSCGKSA-N 0 3 353.492 -0.199 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(CCCCO)C1CC1)CN1CCN(C)CC1 ZINC001117086253 843032284 /nfs/dbraw/zinc/03/22/84/843032284.db2.gz UFSGWHMBTSJOMB-HNNXBMFYSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(CCCCO)C1CC1)CN1CCN(C)CC1 ZINC001117086254 843032128 /nfs/dbraw/zinc/03/21/28/843032128.db2.gz UFSGWHMBTSJOMB-OAHLLOKOSA-N 0 3 354.495 -0.250 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCc2nc(C3CC3)no2)CC1 ZINC001117088921 843033402 /nfs/dbraw/zinc/03/34/02/843033402.db2.gz 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ZINC001117091788 843033337 /nfs/dbraw/zinc/03/33/37/843033337.db2.gz DTHQJSKSDNAGEY-ZIAGYGMSSA-N 0 3 352.435 -0.859 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1 ZINC001117092939 843034388 /nfs/dbraw/zinc/03/43/88/843034388.db2.gz ZXLQOZBNRNYQEY-DEOSSOPVSA-N 0 3 359.492 -0.369 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 ZINC001117092940 843034530 /nfs/dbraw/zinc/03/45/30/843034530.db2.gz ZXLQOZBNRNYQEY-XMMPIXPASA-N 0 3 359.492 -0.369 20 0 FBADHN CCCS(=O)(=O)NC1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC001117095670 843034351 /nfs/dbraw/zinc/03/43/51/843034351.db2.gz BUEPNQWZTVXTPN-UHFFFAOYSA-N 0 3 374.507 -0.483 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001117096780 843034417 /nfs/dbraw/zinc/03/44/17/843034417.db2.gz PJYUKIGFKCYEBH-FEPKRQSRSA-N 0 3 374.507 -0.581 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001117096781 843034593 /nfs/dbraw/zinc/03/45/93/843034593.db2.gz PJYUKIGFKCYEBH-IWMBGFJWSA-N 0 3 374.507 -0.581 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001117096782 843034467 /nfs/dbraw/zinc/03/44/67/843034467.db2.gz PJYUKIGFKCYEBH-KBHBFKLGSA-N 0 3 374.507 -0.581 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001117096783 843034728 /nfs/dbraw/zinc/03/47/28/843034728.db2.gz PJYUKIGFKCYEBH-MRFVTOPCSA-N 0 3 374.507 -0.581 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001117116432 843037836 /nfs/dbraw/zinc/03/78/36/843037836.db2.gz IWZOVCKASJLRAY-GFCCVEGCSA-N 0 3 363.480 -0.895 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001117116433 843038344 /nfs/dbraw/zinc/03/83/44/843038344.db2.gz IWZOVCKASJLRAY-LBPRGKRZSA-N 0 3 363.480 -0.895 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@@]23CCOC3=O)CC1 ZINC001117116915 843037769 /nfs/dbraw/zinc/03/77/69/843037769.db2.gz UTWSOKCKKPIBNQ-KRWDZBQOSA-N 0 3 353.419 -0.479 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@]23CCOC3=O)CC1 ZINC001117116917 843037975 /nfs/dbraw/zinc/03/79/75/843037975.db2.gz UTWSOKCKKPIBNQ-QGZVFWFLSA-N 0 3 353.419 -0.479 20 0 FBADHN COCCCOC1CN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC001117117327 843038406 /nfs/dbraw/zinc/03/84/06/843038406.db2.gz YNPKYEIHORBRTB-UHFFFAOYSA-N 0 3 357.451 -0.523 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001117123970 843040566 /nfs/dbraw/zinc/04/05/66/843040566.db2.gz WESYZBVKOLMWJS-CHWSQXEVSA-N 0 3 362.496 -0.769 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001117123971 843040253 /nfs/dbraw/zinc/04/02/53/843040253.db2.gz WESYZBVKOLMWJS-OLZOCXBDSA-N 0 3 362.496 -0.769 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001117123972 843040064 /nfs/dbraw/zinc/04/00/64/843040064.db2.gz WESYZBVKOLMWJS-QWHCGFSZSA-N 0 3 362.496 -0.769 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001117123973 843040515 /nfs/dbraw/zinc/04/05/15/843040515.db2.gz WESYZBVKOLMWJS-STQMWFEESA-N 0 3 362.496 -0.769 20 0 FBADHN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NCCN(C)C1CC1)CC2 ZINC001117125481 843041584 /nfs/dbraw/zinc/04/15/84/843041584.db2.gz BWQCNSPAIOCBKM-CABCVRRESA-N 0 3 353.463 -0.025 20 0 FBADHN CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)NCCN(C)C1CC1)CC2 ZINC001117125485 843041120 /nfs/dbraw/zinc/04/11/20/843041120.db2.gz BWQCNSPAIOCBKM-GJZGRUSLSA-N 0 3 353.463 -0.025 20 0 FBADHN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NCCN(C)C1CC1)CC2 ZINC001117125487 843041440 /nfs/dbraw/zinc/04/14/40/843041440.db2.gz BWQCNSPAIOCBKM-HUUCEWRRSA-N 0 3 353.463 -0.025 20 0 FBADHN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NCCN(C)C1CC1)CC2 ZINC001117125488 843041488 /nfs/dbraw/zinc/04/14/88/843041488.db2.gz BWQCNSPAIOCBKM-LSDHHAIUSA-N 0 3 353.463 -0.025 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC001117125514 843040828 /nfs/dbraw/zinc/04/08/28/843040828.db2.gz COAHIYQKIWOSOB-UHFFFAOYSA-N 0 3 374.507 -0.531 20 0 FBADHN O=C(NCc1nccn1C(F)F)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001117138380 843042977 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CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC001118252287 843225354 /nfs/dbraw/zinc/22/53/54/843225354.db2.gz UGFKINISZRRDPF-UHFFFAOYSA-N 0 3 354.451 -0.752 20 0 FBADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC001118252592 843225487 /nfs/dbraw/zinc/22/54/87/843225487.db2.gz ZXYYCBHDYDETPE-UHFFFAOYSA-N 0 3 353.467 -0.244 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H](C)O1 ZINC001118253970 843225887 /nfs/dbraw/zinc/22/58/87/843225887.db2.gz QOGOSNQRTVFOLD-IHRRRGAJSA-N 0 3 353.419 -0.528 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H](C)O1 ZINC001118253971 843225429 /nfs/dbraw/zinc/22/54/29/843225429.db2.gz QOGOSNQRTVFOLD-MJBXVCDLSA-N 0 3 353.419 -0.528 20 0 FBADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001118258009 843227600 /nfs/dbraw/zinc/22/76/00/843227600.db2.gz BDYNJQJPJLBKEX-UHFFFAOYSA-N 0 3 354.451 -0.576 20 0 FBADHN COc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC001118260863 843227879 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FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NCCCCN1CCN(C)CC1 ZINC001118308232 843240112 /nfs/dbraw/zinc/24/01/12/843240112.db2.gz CHMORJNWZJAUNL-UHFFFAOYSA-N 0 3 369.491 -0.205 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCc3sccc3C2)CC1=O ZINC001118315999 843242443 /nfs/dbraw/zinc/24/24/43/843242443.db2.gz MGISBAWBUGQXRS-UHFFFAOYSA-N 0 3 364.471 -0.135 20 0 FBADHN CS[C@H]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001118319937 843243668 /nfs/dbraw/zinc/24/36/68/843243668.db2.gz QYBKGQNSHKSPBW-KBPBESRZSA-N 0 3 370.519 -0.039 20 0 FBADHN CS[C@H]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001118319938 843243884 /nfs/dbraw/zinc/24/38/84/843243884.db2.gz QYBKGQNSHKSPBW-KGLIPLIRSA-N 0 3 370.519 -0.039 20 0 FBADHN CS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001118319939 843243534 /nfs/dbraw/zinc/24/35/34/843243534.db2.gz QYBKGQNSHKSPBW-UONOGXRCSA-N 0 3 370.519 -0.039 20 0 FBADHN CS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001118319940 843243626 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FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001118330612 843246500 /nfs/dbraw/zinc/24/65/00/843246500.db2.gz UFZAGFCTEYPCRL-ZDUSSCGKSA-N 0 3 352.416 -0.622 20 0 FBADHN CN(C)CCN1CCN(C(=O)CNC(=O)c2cc(Cl)ccn2)CC1=O ZINC001118338301 843248729 /nfs/dbraw/zinc/24/87/29/843248729.db2.gz YEMZUFAQBDNJEK-UHFFFAOYSA-N 0 3 367.837 -0.303 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC001118340134 843248067 /nfs/dbraw/zinc/24/80/67/843248067.db2.gz NRGWFEXCWIAIIX-AWEZNQCLSA-N 0 3 352.435 -0.066 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC001118340135 843248353 /nfs/dbraw/zinc/24/83/53/843248353.db2.gz NRGWFEXCWIAIIX-CQSZACIVSA-N 0 3 352.435 -0.066 20 0 FBADHN CC(C)(CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)NS(C)(=O)=O ZINC001118341085 843249438 /nfs/dbraw/zinc/24/94/38/843249438.db2.gz QIPQKMLOMMATTM-CHWSQXEVSA-N 0 3 374.507 -0.437 20 0 FBADHN CC(C)(CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)NS(C)(=O)=O ZINC001118341086 843249717 /nfs/dbraw/zinc/24/97/17/843249717.db2.gz QIPQKMLOMMATTM-OLZOCXBDSA-N 0 3 374.507 -0.437 20 0 FBADHN CC(C)(CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)NS(C)(=O)=O ZINC001118341087 843249611 /nfs/dbraw/zinc/24/96/11/843249611.db2.gz QIPQKMLOMMATTM-QWHCGFSZSA-N 0 3 374.507 -0.437 20 0 FBADHN CC(C)(CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)NS(C)(=O)=O ZINC001118341088 843249906 /nfs/dbraw/zinc/24/99/06/843249906.db2.gz QIPQKMLOMMATTM-STQMWFEESA-N 0 3 374.507 -0.437 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001118341431 843249495 /nfs/dbraw/zinc/24/94/95/843249495.db2.gz YVSBYPBPMOBHCG-CHWSQXEVSA-N 0 3 360.480 -0.825 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001118341432 843249862 /nfs/dbraw/zinc/24/98/62/843249862.db2.gz YVSBYPBPMOBHCG-OLZOCXBDSA-N 0 3 360.480 -0.825 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001118341433 843249775 /nfs/dbraw/zinc/24/97/75/843249775.db2.gz YVSBYPBPMOBHCG-QWHCGFSZSA-N 0 3 360.480 -0.825 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001118341434 843249278 /nfs/dbraw/zinc/24/92/78/843249278.db2.gz YVSBYPBPMOBHCG-STQMWFEESA-N 0 3 360.480 -0.825 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC001118346719 843250848 /nfs/dbraw/zinc/25/08/48/843250848.db2.gz CZHLWODTFTWVQS-BFHYXJOUSA-N 0 3 372.491 -0.730 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC001118346720 843251195 /nfs/dbraw/zinc/25/11/95/843251195.db2.gz CZHLWODTFTWVQS-IHRRRGAJSA-N 0 3 372.491 -0.730 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC001118346721 843250733 /nfs/dbraw/zinc/25/07/33/843250733.db2.gz CZHLWODTFTWVQS-MELADBBJSA-N 0 3 372.491 -0.730 20 0 FBADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC001118346722 843250437 /nfs/dbraw/zinc/25/04/37/843250437.db2.gz CZHLWODTFTWVQS-MJBXVCDLSA-N 0 3 372.491 -0.730 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118350841 843251890 /nfs/dbraw/zinc/25/18/90/843251890.db2.gz UELRVPZLGFGYHW-CHWSQXEVSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118350842 843252015 /nfs/dbraw/zinc/25/20/15/843252015.db2.gz UELRVPZLGFGYHW-OLZOCXBDSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118350843 843251635 /nfs/dbraw/zinc/25/16/35/843251635.db2.gz UELRVPZLGFGYHW-QWHCGFSZSA-N 0 3 360.480 -0.873 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118350844 843252079 /nfs/dbraw/zinc/25/20/79/843252079.db2.gz UELRVPZLGFGYHW-STQMWFEESA-N 0 3 360.480 -0.873 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC001118350864 837883289 /nfs/dbraw/zinc/88/32/89/837883289.db2.gz UQBXBWQJXZLLBU-UHFFFAOYSA-N 0 3 362.496 -0.625 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)NCC2CCC(F)CC2)CC1=O ZINC001118361860 843253902 /nfs/dbraw/zinc/25/39/02/843253902.db2.gz XCUFGEMBFCMOHD-UHFFFAOYSA-N 0 3 356.442 -0.137 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001118385270 843258777 /nfs/dbraw/zinc/25/87/77/843258777.db2.gz YPXAHBDKMKTRFD-CKEIUWERSA-N 0 3 352.435 -0.114 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001118385271 843258825 /nfs/dbraw/zinc/25/88/25/843258825.db2.gz YPXAHBDKMKTRFD-GRDNDAEWSA-N 0 3 352.435 -0.114 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001118385272 843258440 /nfs/dbraw/zinc/25/84/40/843258440.db2.gz YPXAHBDKMKTRFD-JJRVBVJISA-N 0 3 352.435 -0.114 20 0 FBADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001118385273 843258646 /nfs/dbraw/zinc/25/86/46/843258646.db2.gz YPXAHBDKMKTRFD-JKIFEVAISA-N 0 3 352.435 -0.114 20 0 FBADHN CO[C@H]1CCCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC001118386667 843259904 /nfs/dbraw/zinc/25/99/04/843259904.db2.gz DYKUIKFEOJBIRG-AWEZNQCLSA-N 0 3 354.451 -0.754 20 0 FBADHN CO[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC001118386669 843259786 /nfs/dbraw/zinc/25/97/86/843259786.db2.gz DYKUIKFEOJBIRG-CQSZACIVSA-N 0 3 354.451 -0.754 20 0 FBADHN Cc1noc(CN(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC001118402379 843261714 /nfs/dbraw/zinc/26/17/14/843261714.db2.gz BWVRDVGSZRYDJI-UHFFFAOYSA-N 0 3 352.439 -0.521 20 0 FBADHN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)cc(C)n1 ZINC001118411155 843263150 /nfs/dbraw/zinc/26/31/50/843263150.db2.gz SAEVPYBHYDFPLV-LBPRGKRZSA-N 0 3 365.477 -0.448 20 0 FBADHN COC1CCN(S(=O)(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC001118429382 843264632 /nfs/dbraw/zinc/26/46/32/843264632.db2.gz OCCBKJIUDBKWQQ-CYBMUJFWSA-N 0 3 358.468 -0.271 20 0 FBADHN COC1CCN(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC001118429383 843264754 /nfs/dbraw/zinc/26/47/54/843264754.db2.gz OCCBKJIUDBKWQQ-ZDUSSCGKSA-N 0 3 358.468 -0.271 20 0 FBADHN CCn1cc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)nn1 ZINC001118441226 843266505 /nfs/dbraw/zinc/26/65/05/843266505.db2.gz PXSQDZRUXVASEJ-AWEZNQCLSA-N 0 3 352.439 -0.517 20 0 FBADHN CCn1cc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)nn1 ZINC001118441228 843266665 /nfs/dbraw/zinc/26/66/65/843266665.db2.gz PXSQDZRUXVASEJ-CQSZACIVSA-N 0 3 352.439 -0.517 20 0 FBADHN CN(CCCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)S(C)(=O)=O ZINC001118444838 843268534 /nfs/dbraw/zinc/26/85/34/843268534.db2.gz WIYYGSDJROUWRP-CABCVRRESA-N 0 3 371.507 -0.147 20 0 FBADHN CN(CCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)S(C)(=O)=O ZINC001118444839 843268563 /nfs/dbraw/zinc/26/85/63/843268563.db2.gz WIYYGSDJROUWRP-GJZGRUSLSA-N 0 3 371.507 -0.147 20 0 FBADHN CN(CCCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)S(C)(=O)=O ZINC001118445040 843268446 /nfs/dbraw/zinc/26/84/46/843268446.db2.gz WIYYGSDJROUWRP-HUUCEWRRSA-N 0 3 371.507 -0.147 20 0 FBADHN CN(CCCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)S(C)(=O)=O ZINC001118445041 843268599 /nfs/dbraw/zinc/26/85/99/843268599.db2.gz WIYYGSDJROUWRP-LSDHHAIUSA-N 0 3 371.507 -0.147 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCN1S(C)(=O)=O ZINC001118449206 843269401 /nfs/dbraw/zinc/26/94/01/843269401.db2.gz MZMCHVLQZLGIIH-MCIONIFRSA-N 0 3 372.491 -0.826 20 0 FBADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC001118463223 843272304 /nfs/dbraw/zinc/27/23/04/843272304.db2.gz CJWFISLQGWBIJV-CYBMUJFWSA-N 0 3 359.492 -0.130 20 0 FBADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC001118463225 843272035 /nfs/dbraw/zinc/27/20/35/843272035.db2.gz CJWFISLQGWBIJV-ZDUSSCGKSA-N 0 3 359.492 -0.130 20 0 FBADHN O=C(NCCCOCCO)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001118480582 843274957 /nfs/dbraw/zinc/27/49/57/843274957.db2.gz HKPSBGJYEOYRDE-HNNXBMFYSA-N 0 3 351.403 -0.199 20 0 FBADHN O=C(NCCCOCCO)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001118480583 843274688 /nfs/dbraw/zinc/27/46/88/843274688.db2.gz HKPSBGJYEOYRDE-OAHLLOKOSA-N 0 3 351.403 -0.199 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)S(C)(=O)=O ZINC001118480588 843274783 /nfs/dbraw/zinc/27/47/83/843274783.db2.gz HOLKYDRLRPIHJB-BXUZGUMPSA-N 0 3 369.443 -0.165 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)S(C)(=O)=O ZINC001118480589 843275030 /nfs/dbraw/zinc/27/50/30/843275030.db2.gz HOLKYDRLRPIHJB-FZMZJTMJSA-N 0 3 369.443 -0.165 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)S(C)(=O)=O ZINC001118480590 843274768 /nfs/dbraw/zinc/27/47/68/843274768.db2.gz HOLKYDRLRPIHJB-RISCZKNCSA-N 0 3 369.443 -0.165 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1)S(C)(=O)=O ZINC001118480591 843274620 /nfs/dbraw/zinc/27/46/20/843274620.db2.gz HOLKYDRLRPIHJB-SMDDNHRTSA-N 0 3 369.443 -0.165 20 0 FBADHN CC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCOCC1 ZINC001118481617 843275513 /nfs/dbraw/zinc/27/55/13/843275513.db2.gz BEKSKQIJYSVASG-GFCCVEGCSA-N 0 3 351.407 -0.422 20 0 FBADHN CC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCOCC1 ZINC001118481618 843275866 /nfs/dbraw/zinc/27/58/66/843275866.db2.gz BEKSKQIJYSVASG-LBPRGKRZSA-N 0 3 351.407 -0.422 20 0 FBADHN CCOCCC1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001118486230 843276737 /nfs/dbraw/zinc/27/67/37/843276737.db2.gz JGDYVCARKFBURH-UHFFFAOYSA-N 0 3 351.407 -0.420 20 0 FBADHN NC[C@H](NC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C1CCCC1 ZINC001118487331 843277603 /nfs/dbraw/zinc/27/76/03/843277603.db2.gz CNUSMGAEYZWIQJ-JTQLQIEISA-N 0 3 373.397 -0.287 20 0 FBADHN NC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C1CCCC1 ZINC001118487334 843277896 /nfs/dbraw/zinc/27/78/96/843277896.db2.gz CNUSMGAEYZWIQJ-SNVBAGLBSA-N 0 3 373.397 -0.287 20 0 FBADHN CCOC[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001118490908 843278887 /nfs/dbraw/zinc/27/88/87/843278887.db2.gz QCPFKXJGQBPEBA-LLVKDONJSA-N 0 3 351.407 -0.468 20 0 FBADHN CCOC[C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001118490910 843278609 /nfs/dbraw/zinc/27/86/09/843278609.db2.gz QCPFKXJGQBPEBA-NSHDSACASA-N 0 3 351.407 -0.468 20 0 FBADHN CC(C)(C)N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001118491065 843278367 /nfs/dbraw/zinc/27/83/67/843278367.db2.gz RASPLPTWSRSLQV-UHFFFAOYSA-N 0 3 350.423 -0.800 20 0 FBADHN COCCN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCC1 ZINC001118491449 843279028 /nfs/dbraw/zinc/27/90/28/843279028.db2.gz VXZPKUNHVSLLBN-UHFFFAOYSA-N 0 3 351.407 -0.325 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)S(C)(=O)=O ZINC001118492737 843278902 /nfs/dbraw/zinc/27/89/02/843278902.db2.gz OFRVAZFVHIRVIN-SCDSUCTJSA-N 0 3 371.434 -0.372 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)S(C)(=O)=O ZINC001118492750 843278342 /nfs/dbraw/zinc/27/83/42/843278342.db2.gz OFRVAZFVHIRVIN-VHRBIJSZSA-N 0 3 371.434 -0.372 20 0 FBADHN O=C(NCCCN1C(=O)CNC1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118496402 843279611 /nfs/dbraw/zinc/27/96/11/843279611.db2.gz AGRGERWJPCIJID-CYBMUJFWSA-N 0 3 353.423 -0.519 20 0 FBADHN O=C(NCCCN1C(=O)CNC1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118496408 843279454 /nfs/dbraw/zinc/27/94/54/843279454.db2.gz AGRGERWJPCIJID-ZDUSSCGKSA-N 0 3 353.423 -0.519 20 0 FBADHN NS(=O)(=O)CC1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001118500838 843280502 /nfs/dbraw/zinc/28/05/02/843280502.db2.gz CARIAADEAHODNX-HNNXBMFYSA-N 0 3 374.507 -0.050 20 0 FBADHN NS(=O)(=O)CC1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001118500843 843280754 /nfs/dbraw/zinc/28/07/54/843280754.db2.gz CARIAADEAHODNX-OAHLLOKOSA-N 0 3 374.507 -0.050 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001118501642 843280825 /nfs/dbraw/zinc/28/08/25/843280825.db2.gz YGXPDKOSWHZIAU-AWEZNQCLSA-N 0 3 360.480 -0.570 20 0 FBADHN CS(=O)(=O)N1CC(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001118501758 843280970 /nfs/dbraw/zinc/28/09/70/843280970.db2.gz YGXPDKOSWHZIAU-CQSZACIVSA-N 0 3 360.480 -0.570 20 0 FBADHN O=C(CCNC(=O)c1cccc2c1CNC2)N[C@@H]1CCS(=O)(=O)C1 ZINC001118505625 843280951 /nfs/dbraw/zinc/28/09/51/843280951.db2.gz FGSMSQRZDNXFCI-GFCCVEGCSA-N 0 3 351.428 -0.287 20 0 FBADHN O=C(CCNC(=O)c1cccc2c1CNC2)N[C@H]1CCS(=O)(=O)C1 ZINC001118505626 843280557 /nfs/dbraw/zinc/28/05/57/843280557.db2.gz FGSMSQRZDNXFCI-LBPRGKRZSA-N 0 3 351.428 -0.287 20 0 FBADHN Cc1c(CN)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)nn1C ZINC001118505813 843280644 /nfs/dbraw/zinc/28/06/44/843280644.db2.gz IWZJLETZPIWTGU-UHFFFAOYSA-N 0 3 363.399 -0.030 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)Nc2nn(C)c(C)c2CN)cn1C ZINC001118505848 843280666 /nfs/dbraw/zinc/28/06/66/843280666.db2.gz JLMFIVLZXIODSS-UHFFFAOYSA-N 0 3 369.451 -0.464 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCCS(=O)(=O)N2CCCC2)n1 ZINC001118506042 843281299 /nfs/dbraw/zinc/28/12/99/843281299.db2.gz JZWNPNYYKFQPBE-UHFFFAOYSA-N 0 3 357.436 -0.537 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001118507822 843281608 /nfs/dbraw/zinc/28/16/08/843281608.db2.gz QMJGOYQSSPIRSP-KBPBESRZSA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001118507824 843281430 /nfs/dbraw/zinc/28/14/30/843281430.db2.gz QMJGOYQSSPIRSP-KGLIPLIRSA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001118507826 843281511 /nfs/dbraw/zinc/28/15/11/843281511.db2.gz QMJGOYQSSPIRSP-UONOGXRCSA-N 0 3 354.451 -0.850 20 0 FBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001118507827 843281887 /nfs/dbraw/zinc/28/18/87/843281887.db2.gz QMJGOYQSSPIRSP-ZIAGYGMSSA-N 0 3 354.451 -0.850 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC001118508356 843281711 /nfs/dbraw/zinc/28/17/11/843281711.db2.gz COTUWTPZVALULM-CRAIPNDOSA-N 0 3 352.479 -0.423 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC001118508357 843281777 /nfs/dbraw/zinc/28/17/77/843281777.db2.gz COTUWTPZVALULM-MAUKXSAKSA-N 0 3 352.479 -0.423 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC001118508358 843281492 /nfs/dbraw/zinc/28/14/92/843281492.db2.gz COTUWTPZVALULM-QAPCUYQASA-N 0 3 352.479 -0.423 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC001118508359 843281538 /nfs/dbraw/zinc/28/15/38/843281538.db2.gz COTUWTPZVALULM-YJBOKZPZSA-N 0 3 352.479 -0.423 20 0 FBADHN CCn1cc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)nn1 ZINC001118510201 843282590 /nfs/dbraw/zinc/28/25/90/843282590.db2.gz YVMCPPUEBHAABX-UHFFFAOYSA-N 0 3 351.455 -0.990 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001118515798 843285012 /nfs/dbraw/zinc/28/50/12/843285012.db2.gz RWXQNZZGHAHHKR-UHFFFAOYSA-N 0 3 353.419 -0.484 20 0 FBADHN COC1CC(CCNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001118525691 843288085 /nfs/dbraw/zinc/28/80/85/843288085.db2.gz PRGHPKDKKNBZPJ-UHFFFAOYSA-N 0 3 354.451 -0.850 20 0 FBADHN CCN(C(=O)C(=O)N1CCN(CCOC)C(=O)C1)[C@H]1CCN(CC)C1 ZINC001118530903 843289149 /nfs/dbraw/zinc/28/91/49/843289149.db2.gz JNRZXSQPGMVFTI-AWEZNQCLSA-N 0 3 354.451 -0.754 20 0 FBADHN CCN(C(=O)C(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1CCN(CC)C1 ZINC001118530904 843288870 /nfs/dbraw/zinc/28/88/70/843288870.db2.gz JNRZXSQPGMVFTI-CQSZACIVSA-N 0 3 354.451 -0.754 20 0 FBADHN CCN(C(=O)C(=O)N(C)CC(=O)N1CCOCC1)[C@H]1CCN(CC)C1 ZINC001118531575 843288994 /nfs/dbraw/zinc/28/89/94/843288994.db2.gz OMOBMSXHDBPSHH-AWEZNQCLSA-N 0 3 354.451 -0.754 20 0 FBADHN CCN(C(=O)C(=O)N(C)CC(=O)N1CCOCC1)[C@@H]1CCN(CC)C1 ZINC001118531576 843288652 /nfs/dbraw/zinc/28/86/52/843288652.db2.gz OMOBMSXHDBPSHH-CQSZACIVSA-N 0 3 354.451 -0.754 20 0 FBADHN CCN(C(=O)C(=O)N1CCC(OCC(N)=O)CC1)[C@@H]1CCN(CC)C1 ZINC001118531711 843288467 /nfs/dbraw/zinc/28/84/67/843288467.db2.gz PUJJMOHPTXBLSI-CYBMUJFWSA-N 0 3 354.451 -0.578 20 0 FBADHN CCN(C(=O)C(=O)N1CCC(OCC(N)=O)CC1)[C@H]1CCN(CC)C1 ZINC001118531715 843289184 /nfs/dbraw/zinc/28/91/84/843289184.db2.gz PUJJMOHPTXBLSI-ZDUSSCGKSA-N 0 3 354.451 -0.578 20 0 FBADHN COC(=O)NC1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC001118534968 843290117 /nfs/dbraw/zinc/29/01/17/843290117.db2.gz IXIUQKDNBMEEFW-UHFFFAOYSA-N 0 3 353.423 -0.220 20 0 FBADHN CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC001118537026 843290490 /nfs/dbraw/zinc/29/04/90/843290490.db2.gz MDDBXEVXSOMDMD-RRFJBIMHSA-N 0 3 350.463 -0.088 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC001118544357 843292745 /nfs/dbraw/zinc/29/27/45/843292745.db2.gz HKSRQZAEDZFWNC-MRVPVSSYSA-N 0 3 362.312 -0.397 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC001118544358 843293057 /nfs/dbraw/zinc/29/30/57/843293057.db2.gz HKSRQZAEDZFWNC-QMMMGPOBSA-N 0 3 362.312 -0.397 20 0 FBADHN CO[C@@H]1[C@@H](C)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC001118546625 843292311 /nfs/dbraw/zinc/29/23/11/843292311.db2.gz PREHIOXWXSDJAX-AQUOVQTQSA-N 0 3 351.407 -0.567 20 0 FBADHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC001118546626 843293074 /nfs/dbraw/zinc/29/30/74/843293074.db2.gz PREHIOXWXSDJAX-BZHVJNSISA-N 0 3 351.407 -0.567 20 0 FBADHN CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC001118546627 843292637 /nfs/dbraw/zinc/29/26/37/843292637.db2.gz PREHIOXWXSDJAX-OXHMUOHRSA-N 0 3 351.407 -0.567 20 0 FBADHN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC001118546628 843292839 /nfs/dbraw/zinc/29/28/39/843292839.db2.gz PREHIOXWXSDJAX-ZEGGKSINSA-N 0 3 351.407 -0.567 20 0 FBADHN CCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H](C)CS(=O)(=O)CC ZINC001118547997 843293033 /nfs/dbraw/zinc/29/30/33/843293033.db2.gz CMGQREVHSQPRQF-JTQLQIEISA-N 0 3 359.452 -0.004 20 0 FBADHN CCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H](C)CS(=O)(=O)CC ZINC001118547998 843292805 /nfs/dbraw/zinc/29/28/05/843292805.db2.gz CMGQREVHSQPRQF-SNVBAGLBSA-N 0 3 359.452 -0.004 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CSCCS2)n1 ZINC001118548604 843293783 /nfs/dbraw/zinc/29/37/83/843293783.db2.gz OJAYCARVQXZGMX-SECBINFHSA-N 0 3 357.461 -0.778 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CSCCS2)n1 ZINC001118548607 843293738 /nfs/dbraw/zinc/29/37/38/843293738.db2.gz OJAYCARVQXZGMX-VIFPVBQESA-N 0 3 357.461 -0.778 20 0 FBADHN CCCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001118548615 843293546 /nfs/dbraw/zinc/29/35/46/843293546.db2.gz OMRXBNYFHPCRRU-LLVKDONJSA-N 0 3 357.436 -0.250 20 0 FBADHN CCCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001118548616 843293983 /nfs/dbraw/zinc/29/39/83/843293983.db2.gz OMRXBNYFHPCRRU-NSHDSACASA-N 0 3 357.436 -0.250 20 0 FBADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCC2SCCS2)n1 ZINC001118553567 843294493 /nfs/dbraw/zinc/29/44/93/843294493.db2.gz GVYHPFRULGMYIM-UHFFFAOYSA-N 0 3 357.461 -0.431 20 0 FBADHN COC1CCC(N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001118554039 843295048 /nfs/dbraw/zinc/29/50/48/843295048.db2.gz NNEUJUZSJGRBGW-UHFFFAOYSA-N 0 3 351.407 -0.327 20 0 FBADHN C[C@H](CN(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1nccs1 ZINC001118554205 843294927 /nfs/dbraw/zinc/29/49/27/843294927.db2.gz RCQMYEHAYJIXAI-SECBINFHSA-N 0 3 364.431 -0.024 20 0 FBADHN C[C@@H](CN(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1nccs1 ZINC001118554207 843294954 /nfs/dbraw/zinc/29/49/54/843294954.db2.gz RCQMYEHAYJIXAI-VIFPVBQESA-N 0 3 364.431 -0.024 20 0 FBADHN CC(C)(C)[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC001118554234 843294626 /nfs/dbraw/zinc/29/46/26/843294626.db2.gz RRKLEMDOPNFFMN-LLVKDONJSA-N 0 3 351.407 -0.469 20 0 FBADHN CC(C)(C)[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC001118554235 843294270 /nfs/dbraw/zinc/29/42/70/843294270.db2.gz RRKLEMDOPNFFMN-NSHDSACASA-N 0 3 351.407 -0.469 20 0 FBADHN CCc1cnc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)s1 ZINC001118554513 843294602 /nfs/dbraw/zinc/29/46/02/843294602.db2.gz VLWSNYMOIMQHQU-UHFFFAOYSA-N 0 3 364.431 -0.065 20 0 FBADHN CCOC[C@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118554688 843294422 /nfs/dbraw/zinc/29/44/22/843294422.db2.gz ZDRNYWDLAQXVKD-GFCCVEGCSA-N 0 3 351.407 -0.325 20 0 FBADHN CCOC[C@@H]1CCCCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118554689 843294875 /nfs/dbraw/zinc/29/48/75/843294875.db2.gz ZDRNYWDLAQXVKD-LBPRGKRZSA-N 0 3 351.407 -0.325 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)N1CCCCC1 ZINC001118558479 843295565 /nfs/dbraw/zinc/29/55/65/843295565.db2.gz BVCSSEYQXUHKEN-CYBMUJFWSA-N 0 3 362.496 -0.625 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)N1CCCCC1 ZINC001118558485 843295761 /nfs/dbraw/zinc/29/57/61/843295761.db2.gz BVCSSEYQXUHKEN-ZDUSSCGKSA-N 0 3 362.496 -0.625 20 0 FBADHN CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001118566061 843297224 /nfs/dbraw/zinc/29/72/24/843297224.db2.gz BHFIEKHPFLYNJW-KBPBESRZSA-N 0 3 360.480 -0.427 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001118566062 843297609 /nfs/dbraw/zinc/29/76/09/843297609.db2.gz BHFIEKHPFLYNJW-KGLIPLIRSA-N 0 3 360.480 -0.427 20 0 FBADHN CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001118566063 843297660 /nfs/dbraw/zinc/29/76/60/843297660.db2.gz BHFIEKHPFLYNJW-UONOGXRCSA-N 0 3 360.480 -0.427 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001118566064 843298601 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CN1CCN(C[C@@H](O)CNC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001120519347 843564244 /nfs/dbraw/zinc/56/42/44/843564244.db2.gz IGDOSWLUHQOKES-GJZGRUSLSA-N 0 3 369.487 -0.581 20 0 FBADHN CN1CCN(C[C@H](O)CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001120519348 843564136 /nfs/dbraw/zinc/56/41/36/843564136.db2.gz IGDOSWLUHQOKES-HUUCEWRRSA-N 0 3 369.487 -0.581 20 0 FBADHN CN1CCN(C[C@@H](O)CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001120519349 843563566 /nfs/dbraw/zinc/56/35/66/843563566.db2.gz IGDOSWLUHQOKES-LSDHHAIUSA-N 0 3 369.487 -0.581 20 0 FBADHN O=C(NCc1cc(Cl)cc2c1OCC2)C(=O)N1CCNCCNCC1 ZINC001120525604 843563537 /nfs/dbraw/zinc/56/35/37/843563537.db2.gz UBJRGAPDLZXTJG-UHFFFAOYSA-N 0 3 366.849 -0.088 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C[C@H]1C ZINC001120527911 843565423 /nfs/dbraw/zinc/56/54/23/843565423.db2.gz IBMLMHODMVOFAD-FDYHWXHSSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@H]1C ZINC001120527912 843565491 /nfs/dbraw/zinc/56/54/91/843565491.db2.gz IBMLMHODMVOFAD-LPWJVIDDSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@H]1C ZINC001120527913 843565277 /nfs/dbraw/zinc/56/52/77/843565277.db2.gz IBMLMHODMVOFAD-XQHKEYJVSA-N 0 3 355.435 -0.127 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C[C@H]1C ZINC001120527914 843565622 /nfs/dbraw/zinc/56/56/22/843565622.db2.gz IBMLMHODMVOFAD-YVECIDJPSA-N 0 3 355.435 -0.127 20 0 FBADHN CN(C)S(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC001120546322 843567225 /nfs/dbraw/zinc/56/72/25/843567225.db2.gz RMEDFFLNEPOJGW-HNNXBMFYSA-N 0 3 370.475 -0.134 20 0 FBADHN CN(C)S(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC001120546324 843567401 /nfs/dbraw/zinc/56/74/01/843567401.db2.gz RMEDFFLNEPOJGW-OAHLLOKOSA-N 0 3 370.475 -0.134 20 0 FBADHN O=C(NCCNS(=O)(=O)Cc1ccccc1)N1CCOC2(CNC2)C1 ZINC001120559111 843568102 /nfs/dbraw/zinc/56/81/02/843568102.db2.gz MSSASMRGIDEYFK-UHFFFAOYSA-N 0 3 368.459 -0.510 20 0 FBADHN CC(C)CN1CCC(NC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC001120566439 843568214 /nfs/dbraw/zinc/56/82/14/843568214.db2.gz MYHRDGONEDKVRD-CABCVRRESA-N 0 3 358.508 -0.113 20 0 FBADHN CS(=O)(=O)C[C@H](NC(=O)N1CCNCCNCC1)c1ccccc1 ZINC001120616403 843571214 /nfs/dbraw/zinc/57/12/14/843571214.db2.gz ACALPYIPOACSFI-HNNXBMFYSA-N 0 3 354.476 -0.023 20 0 FBADHN CS(=O)(=O)C[C@@H](NC(=O)N1CCNCCNCC1)c1ccccc1 ZINC001120616405 843570558 /nfs/dbraw/zinc/57/05/58/843570558.db2.gz ACALPYIPOACSFI-OAHLLOKOSA-N 0 3 354.476 -0.023 20 0 FBADHN CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC001120634595 843571565 /nfs/dbraw/zinc/57/15/65/843571565.db2.gz SWFRTCMPIKKMEA-BSEYFRJRSA-N 0 3 361.512 -0.029 20 0 FBADHN CN(C)[S@](C)(=O)=NCC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC001120634596 843571526 /nfs/dbraw/zinc/57/15/26/843571526.db2.gz SWFRTCMPIKKMEA-JBEBIEQOSA-N 0 3 361.512 -0.029 20 0 FBADHN CN(C)[S@](C)(=O)=NCC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC001120634597 843572208 /nfs/dbraw/zinc/57/22/08/843572208.db2.gz SWFRTCMPIKKMEA-LFPIHBKWSA-N 0 3 361.512 -0.029 20 0 FBADHN CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC001120634598 843571699 /nfs/dbraw/zinc/57/16/99/843571699.db2.gz SWFRTCMPIKKMEA-SHACYNPGSA-N 0 3 361.512 -0.029 20 0 FBADHN O=C(NC[C@H]1Cc2ccccc2CN1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001120641845 843571886 /nfs/dbraw/zinc/57/18/86/843571886.db2.gz JHXORJBUGHEYOP-OAGGEKHMSA-N 0 3 364.471 -0.519 20 0 FBADHN O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001120641846 843572039 /nfs/dbraw/zinc/57/20/39/843572039.db2.gz JHXORJBUGHEYOP-XHSDSOJGSA-N 0 3 364.471 -0.519 20 0 FBADHN O=C(NCC[C@H]1CNCCS1(=O)=O)NC[C@H]1Cc2ccccc2CN1 ZINC001120641854 843572349 /nfs/dbraw/zinc/57/23/49/843572349.db2.gz JTLPXJHJBMSHQE-CVEARBPZSA-N 0 3 366.487 -0.223 20 0 FBADHN O=C(NCC[C@H]1CNCCS1(=O)=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001120641855 843571921 /nfs/dbraw/zinc/57/19/21/843571921.db2.gz JTLPXJHJBMSHQE-HOTGVXAUSA-N 0 3 366.487 -0.223 20 0 FBADHN O=C(NCC[C@@H]1CNCCS1(=O)=O)NC[C@H]1Cc2ccccc2CN1 ZINC001120641856 843571735 /nfs/dbraw/zinc/57/17/35/843571735.db2.gz JTLPXJHJBMSHQE-HZPDHXFCSA-N 0 3 366.487 -0.223 20 0 FBADHN O=C(NCC[C@@H]1CNCCS1(=O)=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001120641857 843571940 /nfs/dbraw/zinc/57/19/40/843571940.db2.gz JTLPXJHJBMSHQE-JKSUJKDBSA-N 0 3 366.487 -0.223 20 0 FBADHN CN(c1cccc(CNC(=O)N2CCOC3(CNC3)C2)c1)S(C)(=O)=O ZINC001120674324 843573978 /nfs/dbraw/zinc/57/39/78/843573978.db2.gz IIKNUXLUYJVQAU-UHFFFAOYSA-N 0 3 368.459 -0.034 20 0 FBADHN O=C(COCC(=O)N[C@H]1CN2CCC1CC2)N[C@H]1CN2CCC1CC2 ZINC001120687616 843574140 /nfs/dbraw/zinc/57/41/40/843574140.db2.gz REFMPZUGKVUMLF-HOTGVXAUSA-N 0 3 350.463 -0.576 20 0 FBADHN O=C(COCC(=O)N[C@@H]1CN2CCC1CC2)N[C@@H]1CN2CCC1CC2 ZINC001120687617 843574022 /nfs/dbraw/zinc/57/40/22/843574022.db2.gz REFMPZUGKVUMLF-HZPDHXFCSA-N 0 3 350.463 -0.576 20 0 FBADHN C[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC001120694064 843574478 /nfs/dbraw/zinc/57/44/78/843574478.db2.gz SKSCYHJXKRLZCM-KBPBESRZSA-N 0 3 358.483 -0.128 20 0 FBADHN C[C@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC001120694065 843574219 /nfs/dbraw/zinc/57/42/19/843574219.db2.gz SKSCYHJXKRLZCM-KGLIPLIRSA-N 0 3 358.483 -0.128 20 0 FBADHN CN(CCNC(=O)c1ccc2c(c1)nc(CO)n2C)CCOCCO ZINC001120774879 843576666 /nfs/dbraw/zinc/57/66/66/843576666.db2.gz WJBKKLCXWQPRKB-UHFFFAOYSA-N 0 3 350.419 -0.264 20 0 FBADHN CN1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001120808821 843577698 /nfs/dbraw/zinc/57/76/98/843577698.db2.gz IQZXXGDFSDYEBF-BFHYXJOUSA-N 0 3 357.476 -0.378 20 0 FBADHN CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001120808822 843577399 /nfs/dbraw/zinc/57/73/99/843577399.db2.gz IQZXXGDFSDYEBF-MCIONIFRSA-N 0 3 357.476 -0.378 20 0 FBADHN CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001120808823 843577255 /nfs/dbraw/zinc/57/72/55/843577255.db2.gz IQZXXGDFSDYEBF-MGPQQGTHSA-N 0 3 357.476 -0.378 20 0 FBADHN CN1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001120808824 843577594 /nfs/dbraw/zinc/57/75/94/843577594.db2.gz IQZXXGDFSDYEBF-MJBXVCDLSA-N 0 3 357.476 -0.378 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2ccnc(Cl)c2)CC1=O ZINC001120905402 843577973 /nfs/dbraw/zinc/57/79/73/843577973.db2.gz RPWJYAXRQRPUAX-UHFFFAOYSA-N 0 3 353.810 -0.094 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(F)c(F)c1 ZINC001120994024 843579741 /nfs/dbraw/zinc/57/97/41/843579741.db2.gz VBQOPHZHCLEJMK-SECBINFHSA-N 0 3 355.345 -0.123 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cnc(F)c(F)c1 ZINC001120994025 843579217 /nfs/dbraw/zinc/57/92/17/843579217.db2.gz VBQOPHZHCLEJMK-VIFPVBQESA-N 0 3 355.345 -0.123 20 0 FBADHN CCS(=O)(=O)NCc1nnc(N2CCN(C3CCOCC3)CC2)n1C ZINC001121268734 843582376 /nfs/dbraw/zinc/58/23/76/843582376.db2.gz UVDMDKMWGFJFKL-UHFFFAOYSA-N 0 3 372.495 -0.445 20 0 FBADHN Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(O)(COCCO)CC1 ZINC001121349043 843584000 /nfs/dbraw/zinc/58/40/00/843584000.db2.gz RANAITTUXLBMSC-CQSZACIVSA-N 0 3 353.467 -0.036 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C[S@@](C)=O)n2C)CC1 ZINC001121382670 843585366 /nfs/dbraw/zinc/58/53/66/843585366.db2.gz UMENKDFCRIFOPH-FNODVLLQSA-N 0 3 354.480 -0.564 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C[S@](C)=O)n2C)CC1 ZINC001121382671 843585260 /nfs/dbraw/zinc/58/52/60/843585260.db2.gz UMENKDFCRIFOPH-MCFWBGNESA-N 0 3 354.480 -0.564 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C[S@@](C)=O)n2C)CC1 ZINC001121382672 843585244 /nfs/dbraw/zinc/58/52/44/843585244.db2.gz UMENKDFCRIFOPH-OIRASMEMSA-N 0 3 354.480 -0.564 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C[S@](C)=O)n2C)CC1 ZINC001121382673 843585349 /nfs/dbraw/zinc/58/53/49/843585349.db2.gz UMENKDFCRIFOPH-YYUOZPCZSA-N 0 3 354.480 -0.564 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C[S@](C)=O)n2C)CC1 ZINC001121382753 843585078 /nfs/dbraw/zinc/58/50/78/843585078.db2.gz WKYSQNRGXAFGLQ-DEOSSOPVSA-N 0 3 356.496 -0.316 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C[S@@](C)=O)n2C)CC1 ZINC001121382755 843584780 /nfs/dbraw/zinc/58/47/80/843584780.db2.gz WKYSQNRGXAFGLQ-XMMPIXPASA-N 0 3 356.496 -0.316 20 0 FBADHN CN1C[C@H](O)C[C@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1C ZINC001121409165 843585323 /nfs/dbraw/zinc/58/53/23/843585323.db2.gz VRKHMLAMPOABSA-CABCVRRESA-N 0 3 350.467 -0.146 20 0 FBADHN CN1C[C@@H](O)C[C@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1C ZINC001121409167 843586524 /nfs/dbraw/zinc/58/65/24/843586524.db2.gz VRKHMLAMPOABSA-GJZGRUSLSA-N 0 3 350.467 -0.146 20 0 FBADHN CN1C[C@H](O)C[C@@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1C ZINC001121409169 843586146 /nfs/dbraw/zinc/58/61/46/843586146.db2.gz VRKHMLAMPOABSA-HUUCEWRRSA-N 0 3 350.467 -0.146 20 0 FBADHN CN1C[C@@H](O)C[C@@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1C ZINC001121409171 843585697 /nfs/dbraw/zinc/58/56/97/843585697.db2.gz VRKHMLAMPOABSA-LSDHHAIUSA-N 0 3 350.467 -0.146 20 0 FBADHN Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C(=O)NCCO)CC1 ZINC001121424764 843586481 /nfs/dbraw/zinc/58/64/81/843586481.db2.gz PEXLMKCQJGTJNJ-AWEZNQCLSA-N 0 3 350.467 -0.051 20 0 FBADHN C[C@@H]1CN(c2nnc([C@@H]3CCCN(C)C3)n2C)C[C@H]1CS(N)(=O)=O ZINC001121440519 843586226 /nfs/dbraw/zinc/58/62/26/843586226.db2.gz MBGJLZDLWKKTGX-UPJWGTAASA-N 0 3 356.496 -0.015 20 0 FBADHN CCS(=O)(=O)CCN(C)c1nnc(C2CCN(CCO)CC2)n1C ZINC001121454918 843587504 /nfs/dbraw/zinc/58/75/04/843587504.db2.gz CCFRHJYHGXFPPX-UHFFFAOYSA-N 0 3 359.496 -0.142 20 0 FBADHN CN(c1nnc(C2CCN(CCO)CC2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC001121455358 843587465 /nfs/dbraw/zinc/58/74/65/843587465.db2.gz GDFCWMNKBJXBKG-CYBMUJFWSA-N 0 3 357.480 -0.390 20 0 FBADHN CN(c1nnc(C2CCN(CCO)CC2)n1C)[C@H]1CCS(=O)(=O)C1 ZINC001121455359 843586861 /nfs/dbraw/zinc/58/68/61/843586861.db2.gz GDFCWMNKBJXBKG-ZDUSSCGKSA-N 0 3 357.480 -0.390 20 0 FBADHN COC(=O)N[C@H]1CCN(c2nnc(C3CCN(CCO)CC3)n2C)C1 ZINC001121457017 843587195 /nfs/dbraw/zinc/58/71/95/843587195.db2.gz TUAFANWGMJSFPO-ZDUSSCGKSA-N 0 3 352.439 -0.079 20 0 FBADHN CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001121737884 843590500 /nfs/dbraw/zinc/59/05/00/843590500.db2.gz SRUBGAJUJGSMMG-AWEZNQCLSA-N 0 3 350.467 -0.034 20 0 FBADHN CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001121737910 843590771 /nfs/dbraw/zinc/59/07/71/843590771.db2.gz TZZWCHCVUMFHDB-KBPBESRZSA-N 0 3 350.467 -0.036 20 0 FBADHN CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001121737911 843590226 /nfs/dbraw/zinc/59/02/26/843590226.db2.gz TZZWCHCVUMFHDB-UONOGXRCSA-N 0 3 350.467 -0.036 20 0 FBADHN CCOCCN1CCN(c2nnc(C3=NO[C@@H](CO)C3)n2CC)CC1 ZINC001121818961 843592791 /nfs/dbraw/zinc/59/27/91/843592791.db2.gz CEXXBABVXVQYEL-CYBMUJFWSA-N 0 3 352.439 -0.058 20 0 FBADHN CCOCCN1CCN(c2nnc(C3=NO[C@H](CO)C3)n2CC)CC1 ZINC001121818962 843592678 /nfs/dbraw/zinc/59/26/78/843592678.db2.gz CEXXBABVXVQYEL-ZDUSSCGKSA-N 0 3 352.439 -0.058 20 0 FBADHN CCn1c(C2CCN(CCO)CC2)nnc1N1CCC(O)(CO)CC1 ZINC001121821008 843592610 /nfs/dbraw/zinc/59/26/10/843592610.db2.gz AZCYRWNABLYEFS-UHFFFAOYSA-N 0 3 353.467 -0.207 20 0 FBADHN CCn1c(C2CCN(CCO)CC2)nnc1N(C)CCS(C)(=O)=O ZINC001121821616 843592448 /nfs/dbraw/zinc/59/24/48/843592448.db2.gz IZYYJBLWUQPWJA-UHFFFAOYSA-N 0 3 359.496 -0.050 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CNCCN2C)c1 ZINC001121876182 843594778 /nfs/dbraw/zinc/59/47/78/843594778.db2.gz MPODXLSKYSEAEV-HNNXBMFYSA-N 0 3 370.475 -0.869 20 0 FBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CNCCN2C)c1 ZINC001121876184 843594613 /nfs/dbraw/zinc/59/46/13/843594613.db2.gz MPODXLSKYSEAEV-OAHLLOKOSA-N 0 3 370.475 -0.869 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001121917408 843597183 /nfs/dbraw/zinc/59/71/83/843597183.db2.gz JGCCPNMFLQOSNU-GFCCVEGCSA-N 0 3 355.439 -0.703 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001121917409 843597172 /nfs/dbraw/zinc/59/71/72/843597172.db2.gz JGCCPNMFLQOSNU-LBPRGKRZSA-N 0 3 355.439 -0.703 20 0 FBADHN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CNCCN1C)CC2 ZINC001121955227 843597986 /nfs/dbraw/zinc/59/79/86/843597986.db2.gz KEKGOWJINOPQHD-HNNXBMFYSA-N 0 3 352.460 -0.270 20 0 FBADHN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CNCCN1C)CC2 ZINC001121955228 843598295 /nfs/dbraw/zinc/59/82/95/843598295.db2.gz KEKGOWJINOPQHD-OAHLLOKOSA-N 0 3 352.460 -0.270 20 0 FBADHN CN1CCNC[C@@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001121955317 843598214 /nfs/dbraw/zinc/59/82/14/843598214.db2.gz LYDKHCCKWHYUHB-LLVKDONJSA-N 0 3 354.423 -0.729 20 0 FBADHN CN1CCNC[C@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001121955318 843598375 /nfs/dbraw/zinc/59/83/75/843598375.db2.gz LYDKHCCKWHYUHB-NSHDSACASA-N 0 3 354.423 -0.729 20 0 FBADHN O=C(c1cc2c(s1)CNCC2)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001121991832 843599950 /nfs/dbraw/zinc/59/99/50/843599950.db2.gz BMYYOGKZVFVACZ-UHFFFAOYSA-N 0 3 370.500 -0.547 20 0 FBADHN O=C(c1cc(C(F)(F)F)[nH]n1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001121991956 843600333 /nfs/dbraw/zinc/60/03/33/843600333.db2.gz FRDUHCTZSULSKG-UHFFFAOYSA-N 0 3 367.353 -0.512 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001121996545 843600152 /nfs/dbraw/zinc/60/01/52/843600152.db2.gz JZOGGQXVBVITEW-KBPBESRZSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001121996546 843600027 /nfs/dbraw/zinc/60/00/27/843600027.db2.gz JZOGGQXVBVITEW-KGLIPLIRSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001121996547 843600497 /nfs/dbraw/zinc/60/04/97/843600497.db2.gz JZOGGQXVBVITEW-UONOGXRCSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001121996548 843600490 /nfs/dbraw/zinc/60/04/90/843600490.db2.gz JZOGGQXVBVITEW-ZIAGYGMSSA-N 0 3 361.512 -0.668 20 0 FBADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC001122023786 843601238 /nfs/dbraw/zinc/60/12/38/843601238.db2.gz SRJSJBCYLUBEPV-HNNXBMFYSA-N 0 3 370.475 -0.678 20 0 FBADHN O=C(C[C@H]1CNCCS1(=O)=O)NCC1CCN(C2CCOCC2)CC1 ZINC001122059612 843602266 /nfs/dbraw/zinc/60/22/66/843602266.db2.gz QEZPXPMGOJXLNP-INIZCTEOSA-N 0 3 373.519 -0.230 20 0 FBADHN O=C(C[C@@H]1CNCCS1(=O)=O)NCC1CCN(C2CCOCC2)CC1 ZINC001122059613 843602658 /nfs/dbraw/zinc/60/26/58/843602658.db2.gz QEZPXPMGOJXLNP-MRXNPFEDSA-N 0 3 373.519 -0.230 20 0 FBADHN CC(C)CN1CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001122069632 843602537 /nfs/dbraw/zinc/60/25/37/843602537.db2.gz DAMQPLBRYIJMLR-HNNXBMFYSA-N 0 3 358.508 -0.447 20 0 FBADHN CC(C)CN1CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001122069635 843602135 /nfs/dbraw/zinc/60/21/35/843602135.db2.gz DAMQPLBRYIJMLR-OAHLLOKOSA-N 0 3 358.508 -0.447 20 0 FBADHN O=C(c1n[nH]cc1C(F)(F)F)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001122069766 843602729 /nfs/dbraw/zinc/60/27/29/843602729.db2.gz FTDQECCWKAPUKN-UHFFFAOYSA-N 0 3 367.353 -0.512 20 0 FBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[N-]OC[C@@H](C)[NH3+])C1 ZINC001122098918 843604488 /nfs/dbraw/zinc/60/44/88/843604488.db2.gz CEQYPWCPOCYASC-BXKDBHETSA-N 0 3 359.452 -0.178 20 0 FBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[N-]OC[C@H](C)[NH3+])C1 ZINC001122098920 843604122 /nfs/dbraw/zinc/60/41/22/843604122.db2.gz CEQYPWCPOCYASC-CABZTGNLSA-N 0 3 359.452 -0.178 20 0 FBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[N-]OC[C@H](C)[NH3+])C1 ZINC001122098922 843604211 /nfs/dbraw/zinc/60/42/11/843604211.db2.gz CEQYPWCPOCYASC-JOYOIKCWSA-N 0 3 359.452 -0.178 20 0 FBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[N-]OC[C@@H](C)[NH3+])C1 ZINC001122098923 843604087 /nfs/dbraw/zinc/60/40/87/843604087.db2.gz CEQYPWCPOCYASC-SKDRFNHKSA-N 0 3 359.452 -0.178 20 0 FBADHN C[NH2+]C[C@@H](O)CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001122099624 837022243 /nfs/dbraw/zinc/02/22/43/837022243.db2.gz IJNBGMJGQPETTI-MRVPVSSYSA-N 0 3 355.869 -0.282 20 0 FBADHN C[NH2+]C[C@H](O)CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001122099626 837022344 /nfs/dbraw/zinc/02/23/44/837022344.db2.gz IJNBGMJGQPETTI-QMMMGPOBSA-N 0 3 355.869 -0.282 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@H]1COC2(CNC2)C1 ZINC001122142379 843605444 /nfs/dbraw/zinc/60/54/44/843605444.db2.gz OPYKKIONFXTILI-GFCCVEGCSA-N 0 3 357.407 -0.259 20 0 FBADHN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@@H]1COC2(CNC2)C1 ZINC001122142380 843605468 /nfs/dbraw/zinc/60/54/68/843605468.db2.gz OPYKKIONFXTILI-LBPRGKRZSA-N 0 3 357.407 -0.259 20 0 FBADHN O=C(NCC[C@H]1CNCCS1(=O)=O)c1ccc2c(c1)OCCNC2 ZINC001122143359 843605408 /nfs/dbraw/zinc/60/54/08/843605408.db2.gz GREQYMAZRVBRKI-AWEZNQCLSA-N 0 3 353.444 -0.325 20 0 FBADHN O=C(NCC[C@@H]1CNCCS1(=O)=O)c1ccc2c(c1)OCCNC2 ZINC001122143360 843605200 /nfs/dbraw/zinc/60/52/00/843605200.db2.gz GREQYMAZRVBRKI-CQSZACIVSA-N 0 3 353.444 -0.325 20 0 FBADHN Cn1cc(C(=O)N2CCOC3(CNC3)C2)c(I)n1 ZINC001122161253 843606724 /nfs/dbraw/zinc/60/67/24/843606724.db2.gz ZJRMTRBQDWMNIK-UHFFFAOYSA-N 0 3 362.171 -0.161 20 0 FBADHN COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CNCCN2C)c1 ZINC001122182901 843606417 /nfs/dbraw/zinc/60/64/17/843606417.db2.gz RNCHGCOJXIESQH-AWEZNQCLSA-N 0 3 356.448 -0.547 20 0 FBADHN COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CNCCN2C)c1 ZINC001122182906 843606503 /nfs/dbraw/zinc/60/65/03/843606503.db2.gz RNCHGCOJXIESQH-CQSZACIVSA-N 0 3 356.448 -0.547 20 0 FBADHN O=C(CSCC(=O)N1CCC2(CC1)CNCCO2)N1CCOCC1 ZINC001122233262 843609466 /nfs/dbraw/zinc/60/94/66/843609466.db2.gz IAOHPFHRHPYCCV-UHFFFAOYSA-N 0 3 357.476 -0.441 20 0 FBADHN CCN1CCN(c2nnc(C3=NO[C@@H](CO)C3)n2CCOC)C[C@H]1C ZINC001122239585 843609168 /nfs/dbraw/zinc/60/91/68/843609168.db2.gz KHFKLHNBOHVSFO-CHWSQXEVSA-N 0 3 352.439 -0.060 20 0 FBADHN CCN1CCN(c2nnc(C3=NO[C@H](CO)C3)n2CCOC)C[C@H]1C ZINC001122239586 843609389 /nfs/dbraw/zinc/60/93/89/843609389.db2.gz KHFKLHNBOHVSFO-OLZOCXBDSA-N 0 3 352.439 -0.060 20 0 FBADHN CCN1CCN(c2nnc(C3=NO[C@@H](CO)C3)n2CCOC)C[C@@H]1C ZINC001122239587 843609089 /nfs/dbraw/zinc/60/90/89/843609089.db2.gz KHFKLHNBOHVSFO-QWHCGFSZSA-N 0 3 352.439 -0.060 20 0 FBADHN CCN1CCN(c2nnc(C3=NO[C@H](CO)C3)n2CCOC)C[C@@H]1C ZINC001122239588 843609528 /nfs/dbraw/zinc/60/95/28/843609528.db2.gz KHFKLHNBOHVSFO-STQMWFEESA-N 0 3 352.439 -0.060 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cn1C ZINC001122263216 843610685 /nfs/dbraw/zinc/61/06/85/843610685.db2.gz HAHLUDFSJPLRCN-GRYCIOLGSA-N 0 3 357.480 -0.006 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cn1C ZINC001122263218 843610241 /nfs/dbraw/zinc/61/02/41/843610241.db2.gz HAHLUDFSJPLRCN-IJLUTSLNSA-N 0 3 357.480 -0.006 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cn1C ZINC001122263220 843610790 /nfs/dbraw/zinc/61/07/90/843610790.db2.gz HAHLUDFSJPLRCN-UTUOFQBUSA-N 0 3 357.480 -0.006 20 0 FBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cn1C ZINC001122263222 843610064 /nfs/dbraw/zinc/61/00/64/843610064.db2.gz HAHLUDFSJPLRCN-WOPDTQHZSA-N 0 3 357.480 -0.006 20 0 FBADHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001122263272 843610846 /nfs/dbraw/zinc/61/08/46/843610846.db2.gz HKDCKBRSQSELNC-CAOSSQGBSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001122263273 843610605 /nfs/dbraw/zinc/61/06/05/843610605.db2.gz HKDCKBRSQSELNC-JONQDZQNSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1NC[C@H](C)N(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]1C ZINC001122263274 843610721 /nfs/dbraw/zinc/61/07/21/843610721.db2.gz HKDCKBRSQSELNC-VGWMRTNUSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1NC[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]1C ZINC001122263275 843610876 /nfs/dbraw/zinc/61/08/76/843610876.db2.gz HKDCKBRSQSELNC-YHUYYLMFSA-N 0 3 352.479 -0.236 20 0 FBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2C)CC1 ZINC001122277669 843610503 /nfs/dbraw/zinc/61/05/03/843610503.db2.gz OVKNDJDMLGBXAS-AWEZNQCLSA-N 0 3 353.467 -0.151 20 0 FBADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H]2CCCCN2C)CC1 ZINC001122277670 843611425 /nfs/dbraw/zinc/61/14/25/843611425.db2.gz OVKNDJDMLGBXAS-CQSZACIVSA-N 0 3 353.467 -0.151 20 0 FBADHN COCCS(=O)(=O)c1ccc(C(=O)N2CCNCCNCC2)cc1 ZINC001122288326 843611666 /nfs/dbraw/zinc/61/16/66/843611666.db2.gz RIGHRIBFAKGUQT-UHFFFAOYSA-N 0 3 355.460 -0.258 20 0 FBADHN CN(CC(=O)N1CCNCCNCC1)C1=NS(=O)(=O)c2ccccc21 ZINC001122288680 843611829 /nfs/dbraw/zinc/61/18/29/843611829.db2.gz XJRFSEWKPGQGCO-UHFFFAOYSA-N 0 3 365.459 -0.911 20 0 FBADHN CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCNCCNCC2)cc1F ZINC001122288735 843611628 /nfs/dbraw/zinc/61/16/28/843611628.db2.gz ZKOWXECALYATPC-UHFFFAOYSA-N 0 3 371.434 -0.177 20 0 FBADHN COCCn1c(C(N)=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001122302140 843611283 /nfs/dbraw/zinc/61/12/83/843611283.db2.gz QVWGEPMQAYHBGO-UHFFFAOYSA-N 0 3 352.439 -0.428 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122305414 843611487 /nfs/dbraw/zinc/61/14/87/843611487.db2.gz KWDGSOQLYRZIGU-DTWKUNHWSA-N 0 3 357.208 -0.221 20 0 FBADHN O=C(c1ccc2c(c1)OCCNC2)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001122306542 843612924 /nfs/dbraw/zinc/61/29/24/843612924.db2.gz UEMHKHLSSSZTLB-KGLIPLIRSA-N 0 3 351.428 -0.620 20 0 FBADHN O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC2(CC1)CNCCO2 ZINC001122314386 843613005 /nfs/dbraw/zinc/61/30/05/843613005.db2.gz ALILKGNXBWOKRM-CVEARBPZSA-N 0 3 353.463 -0.153 20 0 FBADHN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC2(CC1)CNCCO2 ZINC001122319431 843612807 /nfs/dbraw/zinc/61/28/07/843612807.db2.gz IFXOQRCNEQOCGZ-UHFFFAOYSA-N 0 3 366.443 -0.535 20 0 FBADHN CN1CCNC[C@H]1C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001122328783 843612575 /nfs/dbraw/zinc/61/25/75/843612575.db2.gz VLFZBBMRUWIXMA-DMDPSCGWSA-N 0 3 369.409 -0.142 20 0 FBADHN CN1CCNC[C@@H]1C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001122328784 843613053 /nfs/dbraw/zinc/61/30/53/843613053.db2.gz VLFZBBMRUWIXMA-NQBHXWOUSA-N 0 3 369.409 -0.142 20 0 FBADHN CCN(CC)CC(=O)N1CCN(c2nnc(CO)n2CCOC)CC1 ZINC001122332291 843613101 /nfs/dbraw/zinc/61/31/01/843613101.db2.gz PUKPXPLCSBQMIL-UHFFFAOYSA-N 0 3 354.455 -0.593 20 0 FBADHN CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@]23C[C@H]2CCCN3)CC1 ZINC001122344720 843613959 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O=C(CN1CCCC2(CC2)S1(=O)=O)N[C@@H]1CCCN(CCCO)C1 ZINC001123798606 843639240 /nfs/dbraw/zinc/63/92/40/843639240.db2.gz JWVRZOPRONNKTG-CQSZACIVSA-N 0 3 359.492 -0.092 20 0 FBADHN CN(CCNC(=O)CN1CCCC2(CC2)S1(=O)=O)CCOCCO ZINC001123904932 843641296 /nfs/dbraw/zinc/64/12/96/843641296.db2.gz HODGDQMZDXWIEM-UHFFFAOYSA-N 0 3 363.480 -0.999 20 0 FBADHN CC(C)N1CCN(CCCC(=O)N(C)N2CCS(=O)(=O)CC2)CC1 ZINC001123917316 843642497 /nfs/dbraw/zinc/64/24/97/843642497.db2.gz VJTJSZDVLDKIPV-UHFFFAOYSA-N 0 3 360.524 -0.104 20 0 FBADHN CN(C)CCn1nccc1C(=O)NCCCN1C(=O)NC(C)(C)C1=O ZINC001123999954 843644170 /nfs/dbraw/zinc/64/41/70/843644170.db2.gz BNYKYOXSHCHKPV-UHFFFAOYSA-N 0 3 350.423 -0.105 20 0 FBADHN CCN1CCN(C2CN(C(=O)c3ccc(S(=O)(=O)NC)nc3)C2)CC1 ZINC001124052903 843646466 /nfs/dbraw/zinc/64/64/66/843646466.db2.gz IUNWCDHBRPCRHR-UHFFFAOYSA-N 0 3 367.475 -0.548 20 0 FBADHN Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC001124120993 843647593 /nfs/dbraw/zinc/64/75/93/843647593.db2.gz 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INCKJJJGXZYELM-RDBSUJKOSA-N 0 3 350.423 -0.690 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860632 837733379 /nfs/dbraw/zinc/73/33/79/837733379.db2.gz JXADVDAWRYTTDZ-NEPJUHHUSA-N 0 3 363.447 -0.497 20 0 FBADHN CCOC1CC(CN2C[C@@H](NC(=O)CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001128860831 837733402 /nfs/dbraw/zinc/73/34/02/837733402.db2.gz PTRGZESBFMHCKH-PQAZSJQKSA-N 0 3 350.423 -0.690 20 0 FBADHN NC(=O)CC(=O)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001128861053 837733018 /nfs/dbraw/zinc/73/30/18/837733018.db2.gz QQUJVGJQPVRKAI-TUAOUCFPSA-N 0 3 356.377 -0.070 20 0 FBADHN NC(=O)CC(=O)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001128861054 837733441 /nfs/dbraw/zinc/73/34/41/837733441.db2.gz QQUJVGJQPVRKAI-UTUOFQBUSA-N 0 3 356.377 -0.070 20 0 FBADHN NC(=O)CC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001128861345 837733481 /nfs/dbraw/zinc/73/34/81/837733481.db2.gz WCCNFEGURSUERI-KGLIPLIRSA-N 0 3 350.423 -0.688 20 0 FBADHN NC(=O)CC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128861466 837732990 /nfs/dbraw/zinc/73/29/90/837732990.db2.gz YBGBJZXCPRXYRW-MCIONIFRSA-N 0 3 350.423 -0.688 20 0 FBADHN NC(=O)CC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128861468 837733497 /nfs/dbraw/zinc/73/34/97/837733497.db2.gz YBGBJZXCPRXYRW-MJBXVCDLSA-N 0 3 350.423 -0.688 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128929152 837737065 /nfs/dbraw/zinc/73/70/65/837737065.db2.gz DNSVBRNBLLFBQA-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128929153 837736800 /nfs/dbraw/zinc/73/68/00/837736800.db2.gz DNSVBRNBLLFBQA-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1n1ccnn1 ZINC001128930143 837736535 /nfs/dbraw/zinc/73/65/35/837736535.db2.gz TVVSJJHDHKKSPC-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001128939179 837738255 /nfs/dbraw/zinc/73/82/55/837738255.db2.gz JANWHGZAIYCWKO-MCIONIFRSA-N 0 3 350.423 -0.675 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001128939180 837738173 /nfs/dbraw/zinc/73/81/73/837738173.db2.gz JANWHGZAIYCWKO-MJBXVCDLSA-N 0 3 350.423 -0.675 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128939352 837738928 /nfs/dbraw/zinc/73/89/28/837738928.db2.gz MLMCFOCDXLDKRQ-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128939353 837738961 /nfs/dbraw/zinc/73/89/61/837738961.db2.gz MLMCFOCDXLDKRQ-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001128939468 837738990 /nfs/dbraw/zinc/73/89/90/837738990.db2.gz RUWCYWKMUQLPGZ-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001128939469 837738890 /nfs/dbraw/zinc/73/88/90/837738890.db2.gz RUWCYWKMUQLPGZ-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CN(CCCCCOC)C[C@@H]1n1ccnn1 ZINC001128945087 837740537 /nfs/dbraw/zinc/74/05/37/837740537.db2.gz QCANUBOJINMUNZ-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CCC(C)C)C[C@@H]1n1ccnn1 ZINC001128961926 837743068 /nfs/dbraw/zinc/74/30/68/837743068.db2.gz KLMNEFDFSUNPOD-KGLIPLIRSA-N 0 3 351.455 -0.015 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001128980063 837744163 /nfs/dbraw/zinc/74/41/63/837744163.db2.gz LXNXBZBVQGVGPI-KGLIPLIRSA-N 0 3 370.479 -0.641 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001128980133 837744023 /nfs/dbraw/zinc/74/40/23/837744023.db2.gz OTSMPOOTGRIXJC-OLZOCXBDSA-N 0 3 358.468 -0.785 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001128980276 837744669 /nfs/dbraw/zinc/74/46/69/837744669.db2.gz VJYDNKAJCYGTNQ-OLZOCXBDSA-N 0 3 358.468 -0.641 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001128980390 837744093 /nfs/dbraw/zinc/74/40/93/837744093.db2.gz ZAUNXCJESJUASV-KGLIPLIRSA-N 0 3 370.479 -0.641 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129004322 837749038 /nfs/dbraw/zinc/74/90/38/837749038.db2.gz PBNANWWKPWOWSY-BNOWGMLFSA-N 0 3 370.479 -0.643 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129004328 837749318 /nfs/dbraw/zinc/74/93/18/837749318.db2.gz PBNANWWKPWOWSY-YUTCNCBUSA-N 0 3 370.479 -0.643 20 0 FBADHN CCCCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009875 837750256 /nfs/dbraw/zinc/75/02/56/837750256.db2.gz UOBQWQLJNIFPGC-MCIONIFRSA-N 0 3 352.439 -0.429 20 0 FBADHN CCCCN1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009876 837749920 /nfs/dbraw/zinc/74/99/20/837749920.db2.gz UOBQWQLJNIFPGC-MJBXVCDLSA-N 0 3 352.439 -0.429 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129009993 837750359 /nfs/dbraw/zinc/75/03/59/837750359.db2.gz YMVVHENVDHWXFM-MCIONIFRSA-N 0 3 352.439 -0.573 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129009995 837750189 /nfs/dbraw/zinc/75/01/89/837750189.db2.gz YMVVHENVDHWXFM-MJBXVCDLSA-N 0 3 352.439 -0.573 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1)S(C)(=O)=O ZINC001129029290 837752520 /nfs/dbraw/zinc/75/25/20/837752520.db2.gz AWBGFIZBZCGDIL-KGLIPLIRSA-N 0 3 370.479 -0.689 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 ZINC001129029301 837753825 /nfs/dbraw/zinc/75/38/25/837753825.db2.gz BAWJYKRELOKHQX-KFWWJZLASA-N 0 3 356.446 -0.054 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 ZINC001129029305 837753260 /nfs/dbraw/zinc/75/32/60/837753260.db2.gz BAWJYKRELOKHQX-ZNMIVQPWSA-N 0 3 356.446 -0.054 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129029369 837753524 /nfs/dbraw/zinc/75/35/24/837753524.db2.gz CYBKTSSPCLGEFP-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129029371 837753764 /nfs/dbraw/zinc/75/37/64/837753764.db2.gz CZTBFOMVBPDQEB-OLZOCXBDSA-N 0 3 358.468 -0.785 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129029459 837753435 /nfs/dbraw/zinc/75/34/35/837753435.db2.gz FCTMOQYZKWFLID-KGLIPLIRSA-N 0 3 370.479 -0.641 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129029695 837752749 /nfs/dbraw/zinc/75/27/49/837752749.db2.gz KCAFRQZZBMCPCY-OLZOCXBDSA-N 0 3 358.468 -0.641 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129029724 837753661 /nfs/dbraw/zinc/75/36/61/837753661.db2.gz LLYDTBSOHCUCII-KGLIPLIRSA-N 0 3 370.479 -0.641 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001129029731 837753557 /nfs/dbraw/zinc/75/35/57/837753557.db2.gz LTZSEWHPJMOIFP-KFWWJZLASA-N 0 3 356.446 -0.318 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001129029732 837752460 /nfs/dbraw/zinc/75/24/60/837752460.db2.gz LTZSEWHPJMOIFP-ZNMIVQPWSA-N 0 3 356.446 -0.318 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1)S(C)(=O)=O ZINC001129030134 837752916 /nfs/dbraw/zinc/75/29/16/837752916.db2.gz RLNKFGRGGAFZTP-KGLIPLIRSA-N 0 3 370.479 -0.689 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129030179 837752490 /nfs/dbraw/zinc/75/24/90/837752490.db2.gz SZYKKMUGEFGFDO-KGLIPLIRSA-N 0 3 370.479 -0.641 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129030182 837753022 /nfs/dbraw/zinc/75/30/22/837753022.db2.gz TZGKILGTUTUMKD-OLZOCXBDSA-N 0 3 358.468 -0.641 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129030351 837752995 /nfs/dbraw/zinc/75/29/95/837752995.db2.gz WLVMPSUPWWGTJK-OLZOCXBDSA-N 0 3 358.468 -0.689 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129030353 837752781 /nfs/dbraw/zinc/75/27/81/837752781.db2.gz WMYJPLXJECGWJR-KGLIPLIRSA-N 0 3 370.479 -0.641 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129030380 837752628 /nfs/dbraw/zinc/75/26/28/837752628.db2.gz YDOCBVDGMAVBRJ-OLZOCXBDSA-N 0 3 358.468 -0.785 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129031744 837755441 /nfs/dbraw/zinc/75/54/41/837755441.db2.gz CPJVOKOBRKDAJP-KGLIPLIRSA-N 0 3 350.423 -0.866 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129031835 837755384 /nfs/dbraw/zinc/75/53/84/837755384.db2.gz HRNHURCNYUGGSY-BNOWGMLFSA-N 0 3 350.423 -0.819 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129031836 837755483 /nfs/dbraw/zinc/75/54/83/837755483.db2.gz HRNHURCNYUGGSY-YUTCNCBUSA-N 0 3 350.423 -0.819 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129032344 837755273 /nfs/dbraw/zinc/75/52/73/837755273.db2.gz NOLLXSTTWXVVGZ-KGLIPLIRSA-N 0 3 352.439 -0.476 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129032689 837754227 /nfs/dbraw/zinc/75/42/27/837754227.db2.gz SDQAFUZYKSQBFC-OLZOCXBDSA-N 0 3 358.468 -0.833 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129032974 837755348 /nfs/dbraw/zinc/75/53/48/837755348.db2.gz XETWBHJINDMZOT-KGLIPLIRSA-N 0 3 352.439 -0.620 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129037934 837755519 /nfs/dbraw/zinc/75/55/19/837755519.db2.gz HBEDSCKIAMJBGC-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCCC(C)C)C[C@@H]1n1ccnn1 ZINC001129037970 837755409 /nfs/dbraw/zinc/75/54/09/837755409.db2.gz IQNLKPPNPQERMH-KGLIPLIRSA-N 0 3 351.455 -0.015 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129038122 837755298 /nfs/dbraw/zinc/75/52/98/837755298.db2.gz RAOUASABMWAQDS-KGLIPLIRSA-N 0 3 352.439 -0.572 20 0 FBADHN CCOCCN1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129052493 837756992 /nfs/dbraw/zinc/75/69/92/837756992.db2.gz HHPRFLMSRCVUGP-OWCLPIDISA-N 0 3 350.467 -0.004 20 0 FBADHN CCOCCN1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129052494 837756398 /nfs/dbraw/zinc/75/63/98/837756398.db2.gz HHPRFLMSRCVUGP-PMPSAXMXSA-N 0 3 350.467 -0.004 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129060787 837757589 /nfs/dbraw/zinc/75/75/89/837757589.db2.gz UMYVONJSRHFNMT-OLZOCXBDSA-N 0 3 352.439 -0.442 20 0 FBADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129060789 837757668 /nfs/dbraw/zinc/75/76/68/837757668.db2.gz UNUWWVCDHISZBM-UPJWGTAASA-N 0 3 350.423 -0.832 20 0 FBADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129060791 837757798 /nfs/dbraw/zinc/75/77/98/837757798.db2.gz UNUWWVCDHISZBM-XQQFMLRXSA-N 0 3 350.423 -0.832 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1)N(C)C ZINC001129064527 837758242 /nfs/dbraw/zinc/75/82/42/837758242.db2.gz JDDUFMRZBRKDLJ-MCIONIFRSA-N 0 3 351.455 -0.952 20 0 FBADHN CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129065012 837758464 /nfs/dbraw/zinc/75/84/64/837758464.db2.gz QEPRRMSKZRHQQE-MCIONIFRSA-N 0 3 351.455 -0.904 20 0 FBADHN CCN1C[C@@H](NC(=O)C(C)(C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129065554 837758211 /nfs/dbraw/zinc/75/82/11/837758211.db2.gz YNUXZWLAUIZDJN-CABCVRRESA-N 0 3 350.467 -0.002 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129084354 837760245 /nfs/dbraw/zinc/76/02/45/837760245.db2.gz INCVHJKOVKNVEO-UPJWGTAASA-N 0 3 351.455 -0.776 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129084356 837760921 /nfs/dbraw/zinc/76/09/21/837760921.db2.gz INCVHJKOVKNVEO-XQQFMLRXSA-N 0 3 351.455 -0.776 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129084809 837761024 /nfs/dbraw/zinc/76/10/24/837761024.db2.gz ZJWGLBZMIPFROC-OLZOCXBDSA-N 0 3 351.455 -0.904 20 0 FBADHN O=C(COCC(F)F)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129128135 837763617 /nfs/dbraw/zinc/76/36/17/837763617.db2.gz QWWQCUOOQPFANS-UPJWGTAASA-N 0 3 359.377 -0.062 20 0 FBADHN O=C(COCC(F)F)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129128136 837764171 /nfs/dbraw/zinc/76/41/71/837764171.db2.gz QWWQCUOOQPFANS-XQQFMLRXSA-N 0 3 359.377 -0.062 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129154546 837766506 /nfs/dbraw/zinc/76/65/06/837766506.db2.gz SMZSNGHFLRUWDQ-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129154548 837766564 /nfs/dbraw/zinc/76/65/64/837766564.db2.gz SMZSNGHFLRUWDQ-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129154779 837766168 /nfs/dbraw/zinc/76/61/68/837766168.db2.gz YLCUAGVMFGZSRD-MCIONIFRSA-N 0 3 352.439 -0.442 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129154781 837766531 /nfs/dbraw/zinc/76/65/31/837766531.db2.gz YLCUAGVMFGZSRD-MJBXVCDLSA-N 0 3 352.439 -0.442 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129219260 837775502 /nfs/dbraw/zinc/77/55/02/837775502.db2.gz BPBSFMDEHROKFX-KGLIPLIRSA-N 0 3 370.479 -0.512 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129219898 837775374 /nfs/dbraw/zinc/77/53/74/837775374.db2.gz MWGBAEVZXQPHMZ-OLZOCXBDSA-N 0 3 358.468 -0.656 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129219933 837775737 /nfs/dbraw/zinc/77/57/37/837775737.db2.gz OPDDJIOXBAEGEM-OLZOCXBDSA-N 0 3 356.452 -0.902 20 0 FBADHN CCCCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129220209 837775671 /nfs/dbraw/zinc/77/56/71/837775671.db2.gz QZZKGVAWDFODNN-OLZOCXBDSA-N 0 3 358.468 -0.512 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129220245 837775641 /nfs/dbraw/zinc/77/56/41/837775641.db2.gz SUTYJQZICJXTPE-KGLIPLIRSA-N 0 3 370.479 -0.512 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129224175 837776397 /nfs/dbraw/zinc/77/63/97/837776397.db2.gz XZHQARLDAWPJEL-OLZOCXBDSA-N 0 3 350.423 -0.688 20 0 FBADHN CCOCCN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266701 837783216 /nfs/dbraw/zinc/78/32/16/837783216.db2.gz OXTZJYPNKCSRRF-OAGGEKHMSA-N 0 3 350.467 -0.002 20 0 FBADHN CCOCCN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266702 837783175 /nfs/dbraw/zinc/78/31/75/837783175.db2.gz OXTZJYPNKCSRRF-XHSDSOJGSA-N 0 3 350.467 -0.002 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1)N(C)C ZINC001129271597 837785680 /nfs/dbraw/zinc/78/56/80/837785680.db2.gz JDDUFMRZBRKDLJ-RDBSUJKOSA-N 0 3 351.455 -0.952 20 0 FBADHN CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129271818 837785708 /nfs/dbraw/zinc/78/57/08/837785708.db2.gz QEPRRMSKZRHQQE-RDBSUJKOSA-N 0 3 351.455 -0.904 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271950 837785107 /nfs/dbraw/zinc/78/51/07/837785107.db2.gz RUABVVTYNUFLNK-RQJABVFESA-N 0 3 350.423 -0.832 20 0 FBADHN C[C@@H](O)CN1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276214 837786554 /nfs/dbraw/zinc/78/65/54/837786554.db2.gz BBQIWNGXZYHPML-KFWWJZLASA-N 0 3 352.483 -0.022 20 0 FBADHN C[C@H](O)CN1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276223 837786438 /nfs/dbraw/zinc/78/64/38/837786438.db2.gz BBQIWNGXZYHPML-ZNMIVQPWSA-N 0 3 352.483 -0.022 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276349 837786965 /nfs/dbraw/zinc/78/69/65/837786965.db2.gz GVXJBUDPGMYGHL-OLZOCXBDSA-N 0 3 351.455 -0.917 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1)CC(C)(C)C ZINC001129276835 837787685 /nfs/dbraw/zinc/78/76/85/837787685.db2.gz WXTSCCSPHMQFFH-CABCVRRESA-N 0 3 352.483 -0.020 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129283867 837805288 /nfs/dbraw/zinc/80/52/88/837805288.db2.gz CBKSIJGULBUPJN-UPJWGTAASA-N 0 3 358.468 -0.787 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129283868 837804771 /nfs/dbraw/zinc/80/47/71/837804771.db2.gz CBKSIJGULBUPJN-XQQFMLRXSA-N 0 3 358.468 -0.787 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129284467 837807035 /nfs/dbraw/zinc/80/70/35/837807035.db2.gz QCJGYZWRTPHTCH-BNOWGMLFSA-N 0 3 370.479 -0.643 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129284468 837806288 /nfs/dbraw/zinc/80/62/88/837806288.db2.gz QCJGYZWRTPHTCH-YUTCNCBUSA-N 0 3 370.479 -0.643 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129284546 837806889 /nfs/dbraw/zinc/80/68/89/837806889.db2.gz RZCPOAMYPWLBIK-BNOWGMLFSA-N 0 3 370.479 -0.643 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129284548 837807104 /nfs/dbraw/zinc/80/71/04/837807104.db2.gz RZCPOAMYPWLBIK-YUTCNCBUSA-N 0 3 370.479 -0.643 20 0 FBADHN CCCCN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129284781 837805795 /nfs/dbraw/zinc/80/57/95/837805795.db2.gz XQAFQUYRIWKYRH-UPJWGTAASA-N 0 3 358.468 -0.643 20 0 FBADHN CCCCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129284782 837804875 /nfs/dbraw/zinc/80/48/75/837804875.db2.gz XQAFQUYRIWKYRH-XQQFMLRXSA-N 0 3 358.468 -0.643 20 0 FBADHN CN(C)C(=O)CC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129312611 837830107 /nfs/dbraw/zinc/83/01/07/837830107.db2.gz IYZVYNZBRKNZPS-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN CN(C)C(=O)CC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129312612 837831028 /nfs/dbraw/zinc/83/10/28/837831028.db2.gz IYZVYNZBRKNZPS-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129312616 837831321 /nfs/dbraw/zinc/83/13/21/837831321.db2.gz JEGUNHIRUNPBHY-OLZOCXBDSA-N 0 3 370.479 -0.643 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312784 837830919 /nfs/dbraw/zinc/83/09/19/837830919.db2.gz OLKFJMBXIWIQQR-KGLIPLIRSA-N 0 3 352.439 -0.476 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001129321157 839208722 /nfs/dbraw/zinc/20/87/22/839208722.db2.gz HJZAWWFEINVVBR-CABCVRRESA-N 0 3 354.430 -0.299 20 0 FBADHN CC(C)CN1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321619 839213295 /nfs/dbraw/zinc/21/32/95/839213295.db2.gz NCMAFUOWJDQWKR-CVEARBPZSA-N 0 3 350.467 -0.002 20 0 FBADHN CCNC(=O)CN1C[C@@H](NC(=O)CN(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129332759 839308104 /nfs/dbraw/zinc/30/81/04/839308104.db2.gz HAEAKDPYCGBCAM-KGLIPLIRSA-N 0 3 351.455 -0.903 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001129333341 839309043 /nfs/dbraw/zinc/30/90/43/839309043.db2.gz PGFQDYLNSCTFHD-KGLIPLIRSA-N 0 3 351.455 -0.950 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H](NC(=O)CN(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337329 839310545 /nfs/dbraw/zinc/31/05/45/839310545.db2.gz BUCAHJKWUBBFEO-MCIONIFRSA-N 0 3 351.455 -0.775 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)CN(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337330 839311406 /nfs/dbraw/zinc/31/14/06/839311406.db2.gz BUCAHJKWUBBFEO-RDBSUJKOSA-N 0 3 351.455 -0.775 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129337527 839311011 /nfs/dbraw/zinc/31/10/11/839311011.db2.gz LXVCATWOBAUDMA-MCIONIFRSA-N 0 3 351.455 -0.904 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129337528 839310116 /nfs/dbraw/zinc/31/01/16/839310116.db2.gz LXVCATWOBAUDMA-MJBXVCDLSA-N 0 3 351.455 -0.904 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129360291 839317113 /nfs/dbraw/zinc/31/71/13/839317113.db2.gz YMROIULXAOQNII-KGLIPLIRSA-N 0 3 370.479 -0.689 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001129403596 839502298 /nfs/dbraw/zinc/50/22/98/839502298.db2.gz DTDZWQWDVRXIIJ-KGLIPLIRSA-N 0 3 351.455 -0.950 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1n1ccnn1 ZINC001129404278 839502027 /nfs/dbraw/zinc/50/20/27/839502027.db2.gz PPQPSPQTBGADSR-KGLIPLIRSA-N 0 3 351.455 -0.903 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129406999 839499559 /nfs/dbraw/zinc/49/95/59/839499559.db2.gz FLFJISNBPSONQL-MCIONIFRSA-N 0 3 351.455 -0.775 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129407001 839499608 /nfs/dbraw/zinc/49/96/08/839499608.db2.gz FLFJISNBPSONQL-RDBSUJKOSA-N 0 3 351.455 -0.775 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129407241 839500191 /nfs/dbraw/zinc/50/01/91/839500191.db2.gz KAPJIKNUHPSFDG-MCIONIFRSA-N 0 3 351.455 -0.904 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129407242 839499172 /nfs/dbraw/zinc/49/91/72/839499172.db2.gz KAPJIKNUHPSFDG-MJBXVCDLSA-N 0 3 351.455 -0.904 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129427650 839501249 /nfs/dbraw/zinc/50/12/49/839501249.db2.gz GENATTPJQQUSOY-OLZOCXBDSA-N 0 3 353.427 -0.895 20 0 FBADHN CC(C)N1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433479 839503075 /nfs/dbraw/zinc/50/30/75/839503075.db2.gz BJRHMIHPSCAZLV-OAGGEKHMSA-N 0 3 350.467 -0.004 20 0 FBADHN CC(C)N1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433480 839502465 /nfs/dbraw/zinc/50/24/65/839502465.db2.gz BJRHMIHPSCAZLV-XHSDSOJGSA-N 0 3 350.467 -0.004 20 0 FBADHN CCCN1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433535 839504452 /nfs/dbraw/zinc/50/44/52/839504452.db2.gz FTSCEHVKDLHZBO-OAGGEKHMSA-N 0 3 350.467 -0.002 20 0 FBADHN CCCN1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433536 839504898 /nfs/dbraw/zinc/50/48/98/839504898.db2.gz FTSCEHVKDLHZBO-XHSDSOJGSA-N 0 3 350.467 -0.002 20 0 FBADHN C[C@@H](O)CCCN1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433622 839504062 /nfs/dbraw/zinc/50/40/62/839504062.db2.gz JGOKKBSMSOVXEL-OAGGEKHMSA-N 0 3 350.467 -0.124 20 0 FBADHN C[C@H](O)CCCN1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433623 839503811 /nfs/dbraw/zinc/50/38/11/839503811.db2.gz JGOKKBSMSOVXEL-XHSDSOJGSA-N 0 3 350.467 -0.124 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CN(CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001129437603 839505106 /nfs/dbraw/zinc/50/51/06/839505106.db2.gz ANMDXQKIZOLOHJ-KGLIPLIRSA-N 0 3 370.479 -0.641 20 0 FBADHN CC[C@@H](C)CN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129437721 839505011 /nfs/dbraw/zinc/50/50/11/839505011.db2.gz FVQCESCKMPZUJX-UPJWGTAASA-N 0 3 358.468 -0.785 20 0 FBADHN CC[C@H](C)CN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129437723 839504125 /nfs/dbraw/zinc/50/41/25/839504125.db2.gz FVQCESCKMPZUJX-XQQFMLRXSA-N 0 3 358.468 -0.785 20 0 FBADHN CCCCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129438095 839504657 /nfs/dbraw/zinc/50/46/57/839504657.db2.gz OAPSDJLHXNEWAL-MCIONIFRSA-N 0 3 370.479 -0.499 20 0 FBADHN CCCCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129438097 839504399 /nfs/dbraw/zinc/50/43/99/839504399.db2.gz OAPSDJLHXNEWAL-MJBXVCDLSA-N 0 3 370.479 -0.499 20 0 FBADHN CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129448903 839502770 /nfs/dbraw/zinc/50/27/70/839502770.db2.gz CUPQALYOQQJVLS-KGLIPLIRSA-N 0 3 370.479 -0.689 20 0 FBADHN CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459889 839507601 /nfs/dbraw/zinc/50/76/01/839507601.db2.gz BAXSJFPUPXEHJN-KGLIPLIRSA-N 0 3 351.455 -0.904 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001129459954 839507301 /nfs/dbraw/zinc/50/73/01/839507301.db2.gz DBWRCDSQBUEUQE-KGLIPLIRSA-N 0 3 351.455 -0.952 20 0 FBADHN CC[C@H](C(N)=O)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459979 839507485 /nfs/dbraw/zinc/50/74/85/839507485.db2.gz FMFGCBDBUBWGAK-MCIONIFRSA-N 0 3 351.455 -0.776 20 0 FBADHN CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459980 839507528 /nfs/dbraw/zinc/50/75/28/839507528.db2.gz FMFGCBDBUBWGAK-RDBSUJKOSA-N 0 3 351.455 -0.776 20 0 FBADHN CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460315 839507874 /nfs/dbraw/zinc/50/78/74/839507874.db2.gz JJBBMSDRTHXGJH-MCIONIFRSA-N 0 3 351.455 -0.906 20 0 FBADHN CNC(=O)[C@H](C)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460316 839507729 /nfs/dbraw/zinc/50/77/29/839507729.db2.gz JJBBMSDRTHXGJH-MJBXVCDLSA-N 0 3 351.455 -0.906 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129460358 839507672 /nfs/dbraw/zinc/50/76/72/839507672.db2.gz KIJBXINAVRURLW-OLZOCXBDSA-N 0 3 351.455 -0.017 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129485148 839510078 /nfs/dbraw/zinc/51/00/78/839510078.db2.gz XSFZCBFNSOECNN-KGLIPLIRSA-N 0 3 352.439 -0.298 20 0 FBADHN NC(=O)CCCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129485205 839510396 /nfs/dbraw/zinc/51/03/96/839510396.db2.gz ZAYUPQCQSVRKKV-MCIONIFRSA-N 0 3 350.423 -0.688 20 0 FBADHN NC(=O)CCCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129485207 839510956 /nfs/dbraw/zinc/51/09/56/839510956.db2.gz ZAYUPQCQSVRKKV-MJBXVCDLSA-N 0 3 350.423 -0.688 20 0 FBADHN COCC(=O)N1C[C@@H](NCC2(CS(C)(=O)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129490949 839510372 /nfs/dbraw/zinc/51/03/72/839510372.db2.gz WRFVWSGMEPOFQG-OLZOCXBDSA-N 0 3 371.463 -0.909 20 0 FBADHN COCC(=O)N1C[C@@H](NCCOC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129496205 839510827 /nfs/dbraw/zinc/51/08/27/839510827.db2.gz IJBGUJBCNXDUOZ-KFWWJZLASA-N 0 3 353.423 -0.538 20 0 FBADHN COCC(=O)N1C[C@@H](NCCOC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129496208 839510195 /nfs/dbraw/zinc/51/01/95/839510195.db2.gz IJBGUJBCNXDUOZ-ZNMIVQPWSA-N 0 3 353.423 -0.538 20 0 FBADHN COCC(=O)N1C[C@@H](NCCOCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129496283 839510582 /nfs/dbraw/zinc/51/05/82/839510582.db2.gz JCZPSYJFLGKSMG-MNOVXSKESA-N 0 3 351.329 -0.155 20 0 FBADHN CCS(=O)(=O)CCCN[C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001129496471 839512148 /nfs/dbraw/zinc/51/21/48/839512148.db2.gz NWHYJKZKHYNIKD-OLZOCXBDSA-N 0 3 359.452 -0.909 20 0 FBADHN CC(C)NC(=O)NCCN[C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001129502581 839507261 /nfs/dbraw/zinc/50/72/61/839507261.db2.gz AWQQQQLQQZVUKZ-MNOVXSKESA-N 0 3 359.381 -0.408 20 0 FBADHN C[C@@H](CN[C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1)CS(C)(=O)=O ZINC001129502728 839507319 /nfs/dbraw/zinc/50/73/19/839507319.db2.gz DOBLJJWOPGIIHG-AXFHLTTASA-N 0 3 365.406 -0.435 20 0 FBADHN C[C@H](CN[C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1)CS(C)(=O)=O ZINC001129502729 839507198 /nfs/dbraw/zinc/50/71/98/839507198.db2.gz DOBLJJWOPGIIHG-MXWKQRLJSA-N 0 3 365.406 -0.435 20 0 FBADHN CC(=O)NCCOCCN[C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001129502743 839507549 /nfs/dbraw/zinc/50/75/49/839507549.db2.gz FFKNZSWPPZPEBX-NEPJUHHUSA-N 0 3 360.365 -0.963 20 0 FBADHN CCC(=O)N1C[C@@H](NC[C@H](O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129502855 839507965 /nfs/dbraw/zinc/50/79/65/839507965.db2.gz FTDVULMSQUGTEN-MJBXVCDLSA-N 0 3 350.423 -0.987 20 0 FBADHN CCC(=O)N1C[C@@H](NCC2(CS(C)(=O)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129502970 839509114 /nfs/dbraw/zinc/50/91/14/839509114.db2.gz HWNAOIZFUBDFBJ-OLZOCXBDSA-N 0 3 355.464 -0.146 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001129503271 839508732 /nfs/dbraw/zinc/50/87/32/839508732.db2.gz OSHYLOUNSJVQHD-ZJUUUORDSA-N 0 3 351.379 -0.681 20 0 FBADHN O=C(C1CCOCC1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129503305 839508896 /nfs/dbraw/zinc/50/88/96/839508896.db2.gz QDKAIUBLLFKINL-CABCVRRESA-N 0 3 353.423 -0.945 20 0 FBADHN CCS(=O)(=O)CCCN[C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001129503516 839508525 /nfs/dbraw/zinc/50/85/25/839508525.db2.gz ZQZYYHXWDMXFME-MNOVXSKESA-N 0 3 365.406 -0.291 20 0 FBADHN COCCC(=O)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001129506189 839509469 /nfs/dbraw/zinc/50/94/69/839509469.db2.gz GUIDYWPCJSFUCD-MCIONIFRSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCC(=O)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001129506193 839509443 /nfs/dbraw/zinc/50/94/43/839509443.db2.gz GUIDYWPCJSFUCD-MJBXVCDLSA-N 0 3 371.463 -0.909 20 0 FBADHN C[C@H](CN[C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1)CS(C)(=O)=O ZINC001129507111 839508582 /nfs/dbraw/zinc/50/85/82/839508582.db2.gz PTPNDXHCMWQVAV-BNOWGMLFSA-N 0 3 355.464 -0.290 20 0 FBADHN C[C@@H](CN[C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1)CS(C)(=O)=O ZINC001129507112 839508647 /nfs/dbraw/zinc/50/86/47/839508647.db2.gz PTPNDXHCMWQVAV-YUTCNCBUSA-N 0 3 355.464 -0.290 20 0 FBADHN CCS(=O)(=O)CCCN[C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129507150 839508627 /nfs/dbraw/zinc/50/86/27/839508627.db2.gz QZHCBDSHMWRWSU-KGLIPLIRSA-N 0 3 355.464 -0.146 20 0 FBADHN CS(=O)(=O)CC1(CN[C@@H]2CN(C(=O)C3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001129511082 839511814 /nfs/dbraw/zinc/51/18/14/839511814.db2.gz IPAPWZCPTOHCEZ-KGLIPLIRSA-N 0 3 367.475 -0.146 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129511191 839512314 /nfs/dbraw/zinc/51/23/14/839512314.db2.gz JWMUWKDPUJHVCO-KGLIPLIRSA-N 0 3 355.464 -0.146 20 0 FBADHN CC(=O)NCCOCCN[C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129511577 839512335 /nfs/dbraw/zinc/51/23/35/839512335.db2.gz UCTOSZROVSSZMM-CABCVRRESA-N 0 3 350.423 -0.818 20 0 FBADHN COCCS(=O)(=O)CCCN[C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129516463 839513833 /nfs/dbraw/zinc/51/38/33/839513833.db2.gz RHGIMVAYOFLBGJ-KGLIPLIRSA-N 0 3 359.452 -0.909 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1n1ccnn1 ZINC001129516625 839513308 /nfs/dbraw/zinc/51/33/08/839513308.db2.gz WQVNIKPQUPMDAR-KGLIPLIRSA-N 0 3 355.464 -0.146 20 0 FBADHN CC(F)(F)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129521391 839513794 /nfs/dbraw/zinc/51/37/94/839513794.db2.gz DZNKBGXBYHDWAU-NEPJUHHUSA-N 0 3 356.377 -0.199 20 0 FBADHN CC(F)(F)C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129521617 839513684 /nfs/dbraw/zinc/51/36/84/839513684.db2.gz NXWHLZVZIGBEHP-MNOVXSKESA-N 0 3 365.406 -0.291 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1n1ccnn1 ZINC001129525063 839513508 /nfs/dbraw/zinc/51/35/08/839513508.db2.gz CQXHXTZIFORTLQ-OLZOCXBDSA-N 0 3 367.431 -0.039 20 0 FBADHN COCCC(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129525123 839513746 /nfs/dbraw/zinc/51/37/46/839513746.db2.gz FCDNJGFJNQWTPN-KGLIPLIRSA-N 0 3 350.423 -0.722 20 0 FBADHN CC(C)(F)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129525225 839513143 /nfs/dbraw/zinc/51/31/43/839513143.db2.gz HNILFEHIOQCZSV-OLZOCXBDSA-N 0 3 352.414 -0.106 20 0 FBADHN O=C(Cc1cccs1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129525324 839513526 /nfs/dbraw/zinc/51/35/26/839513526.db2.gz JAIVQKYDNPNWJF-CABCVRRESA-N 0 3 365.459 -0.067 20 0 FBADHN CC(C)(F)C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129525483 839512292 /nfs/dbraw/zinc/51/22/92/839512292.db2.gz LYQVNZKSFZQGDL-NEPJUHHUSA-N 0 3 361.443 -0.198 20 0 FBADHN COCCC(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129525680 839512390 /nfs/dbraw/zinc/51/23/90/839512390.db2.gz PMPMDUKXODKDAB-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCC(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129526034 839511832 /nfs/dbraw/zinc/51/18/32/839511832.db2.gz XFHYSFCEOUVMLD-OLZOCXBDSA-N 0 3 359.452 -0.909 20 0 FBADHN CCCCOCCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129530248 839511905 /nfs/dbraw/zinc/51/19/05/839511905.db2.gz OVXKTSGNKTUWSJ-CABCVRRESA-N 0 3 352.439 -0.428 20 0 FBADHN CCCC(=O)N1C[C@@H](NCCOCCNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129530890 839512196 /nfs/dbraw/zinc/51/21/96/839512196.db2.gz YNAJVZLBOJTSSY-CABCVRRESA-N 0 3 352.439 -0.428 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129536471 839516850 /nfs/dbraw/zinc/51/68/50/839516850.db2.gz CDIZJDSXCRNQDA-CABCVRRESA-N 0 3 352.439 -0.572 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129536742 839516877 /nfs/dbraw/zinc/51/68/77/839516877.db2.gz IAWVDADZAICQBU-NEPJUHHUSA-N 0 3 360.365 -0.963 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](NCCc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129536766 839517633 /nfs/dbraw/zinc/51/76/33/839517633.db2.gz JKSCNZRJPFHSDZ-KGLIPLIRSA-N 0 3 363.447 -0.545 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129537337 839516760 /nfs/dbraw/zinc/51/67/60/839516760.db2.gz UIYXVBGDPFWBKD-CABCVRRESA-N 0 3 350.423 -0.675 20 0 FBADHN CC(=O)NCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129541106 839517041 /nfs/dbraw/zinc/51/70/41/839517041.db2.gz NCCZWYSRPFPGPN-CABCVRRESA-N 0 3 350.423 -0.818 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCNC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129547195 839513670 /nfs/dbraw/zinc/51/36/70/839513670.db2.gz ABLOSDMNZDUHGT-OLZOCXBDSA-N 0 3 369.495 -0.310 20 0 FBADHN O=C(Cc1ccsc1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129547512 839514328 /nfs/dbraw/zinc/51/43/28/839514328.db2.gz DOABPELANGGBIF-CABCVRRESA-N 0 3 365.459 -0.067 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCOCCNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129547565 839514900 /nfs/dbraw/zinc/51/49/00/839514900.db2.gz FLZGUKBPYSQAEF-KGLIPLIRSA-N 0 3 370.479 -0.865 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129547747 839514888 /nfs/dbraw/zinc/51/48/88/839514888.db2.gz KUDNEWBTTOAPCT-OLZOCXBDSA-N 0 3 352.464 -0.491 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)no1 ZINC001129547782 839515109 /nfs/dbraw/zinc/51/51/09/839515109.db2.gz MCHTXGFXJCTUKQ-KGLIPLIRSA-N 0 3 350.379 -0.761 20 0 FBADHN CSCC(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129547852 839515085 /nfs/dbraw/zinc/51/50/85/839515085.db2.gz PIJVTXFXDKCJLA-NEPJUHHUSA-N 0 3 361.493 -0.583 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 ZINC001129548007 839514748 /nfs/dbraw/zinc/51/47/48/839514748.db2.gz XCGMOILEYKCCII-KGLIPLIRSA-N 0 3 351.407 -0.067 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129552861 839514875 /nfs/dbraw/zinc/51/48/75/839514875.db2.gz GOSZEHREHITEFM-ILXRZTDVSA-N 0 3 353.423 -0.538 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129552862 839514384 /nfs/dbraw/zinc/51/43/84/839514384.db2.gz GOSZEHREHITEFM-QLFBSQMISA-N 0 3 353.423 -0.538 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129552895 839516010 /nfs/dbraw/zinc/51/60/10/839516010.db2.gz HRQAJTLADDICGN-HZSPNIEDSA-N 0 3 371.463 -0.767 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129552896 839516371 /nfs/dbraw/zinc/51/63/71/839516371.db2.gz HRQAJTLADDICGN-RDBSUJKOSA-N 0 3 371.463 -0.767 20 0 FBADHN CSCCC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129552956 839515820 /nfs/dbraw/zinc/51/58/20/839515820.db2.gz JWDMVYQLWCOZNS-OLZOCXBDSA-N 0 3 367.479 -0.602 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129553178 839515850 /nfs/dbraw/zinc/51/58/50/839515850.db2.gz SIBRLTMQLQTWDW-CFVMTHIKSA-N 0 3 352.439 -0.431 20 0 FBADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129553179 839516024 /nfs/dbraw/zinc/51/60/24/839516024.db2.gz SIBRLTMQLQTWDW-YUELXQCFSA-N 0 3 352.439 -0.431 20 0 FBADHN CSCCC(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129555958 839515770 /nfs/dbraw/zinc/51/57/70/839515770.db2.gz DQGBRYQXKGZGOT-KGLIPLIRSA-N 0 3 366.491 -0.005 20 0 FBADHN CCCCOCCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129555967 839516235 /nfs/dbraw/zinc/51/62/35/839516235.db2.gz DWXASTHYBKBORI-OLZOCXBDSA-N 0 3 353.427 -0.895 20 0 FBADHN CSCCC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129556059 839516282 /nfs/dbraw/zinc/51/62/82/839516282.db2.gz GVKKXIIKXXDBHR-OLZOCXBDSA-N 0 3 350.452 -0.336 20 0 FBADHN CSCCC(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129556363 839516929 /nfs/dbraw/zinc/51/69/29/839516929.db2.gz NATLKRDREVZHSE-KGLIPLIRSA-N 0 3 366.491 -0.101 20 0 FBADHN O=C(Cn1cnnn1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129556589 839516724 /nfs/dbraw/zinc/51/67/24/839516724.db2.gz RENNCIWWDHQLIC-ZJUUUORDSA-N 0 3 359.316 -0.741 20 0 FBADHN Cc1nnsc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129564083 839518919 /nfs/dbraw/zinc/51/89/19/839518919.db2.gz ADDVAWSFYSKCRX-NEPJUHHUSA-N 0 3 367.435 -0.898 20 0 FBADHN CCOCC(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129564597 839518280 /nfs/dbraw/zinc/51/82/80/839518280.db2.gz DRBXVPNBPIUNAD-KGLIPLIRSA-N 0 3 350.423 -0.722 20 0 FBADHN CCOCC(=O)N1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001129564818 839518763 /nfs/dbraw/zinc/51/87/63/839518763.db2.gz IXTUIYJKYLUBEL-MCIONIFRSA-N 0 3 371.463 -0.909 20 0 FBADHN CCOCC(=O)N1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001129564819 839518447 /nfs/dbraw/zinc/51/84/47/839518447.db2.gz IXTUIYJKYLUBEL-MJBXVCDLSA-N 0 3 371.463 -0.909 20 0 FBADHN CCOCC(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129565250 839518286 /nfs/dbraw/zinc/51/82/86/839518286.db2.gz UYEFNOIWJSVCMJ-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN CCOCC(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129565326 839518401 /nfs/dbraw/zinc/51/84/01/839518401.db2.gz YJPOBLHBVFEFLA-OLZOCXBDSA-N 0 3 359.452 -0.909 20 0 FBADHN O=C(c1cc(Cl)c[nH]1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129568204 839518112 /nfs/dbraw/zinc/51/81/12/839518112.db2.gz ATPGQLCHOPQTKI-KGLIPLIRSA-N 0 3 368.825 -0.076 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)on1 ZINC001129568961 839518633 /nfs/dbraw/zinc/51/86/33/839518633.db2.gz NAZMHTZOQAYMKE-OLZOCXBDSA-N 0 3 350.379 -0.761 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001129569599 839518314 /nfs/dbraw/zinc/51/83/14/839518314.db2.gz ZKCCYVQKDYCGHH-KGLIPLIRSA-N 0 3 350.423 -0.722 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1n1ccnn1 ZINC001129573207 839519740 /nfs/dbraw/zinc/51/97/40/839519740.db2.gz JSJKBHKBMUHWBI-KGLIPLIRSA-N 0 3 367.431 -0.039 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1n1ccnn1 ZINC001129573823 839519928 /nfs/dbraw/zinc/51/99/28/839519928.db2.gz XKNOAIIJULOFML-KGLIPLIRSA-N 0 3 366.447 -0.304 20 0 FBADHN CC(C)NC(=O)NCCN[C@@H]1CN(C(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129589725 839522577 /nfs/dbraw/zinc/52/25/77/839522577.db2.gz VEIFQSSOWZODSV-KGLIPLIRSA-N 0 3 351.455 -0.017 20 0 FBADHN CC(=O)NCCOCCN[C@@H]1CN(C(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129589747 839522359 /nfs/dbraw/zinc/52/23/59/839522359.db2.gz VUDYZNJXEZEGNQ-CABCVRRESA-N 0 3 352.439 -0.572 20 0 FBADHN CC(C)C(=O)N1C[C@@H](NC[C@@H](C)CS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129589758 839522788 /nfs/dbraw/zinc/52/27/88/839522788.db2.gz WHVSPKWWDYAYCG-MCIONIFRSA-N 0 3 357.480 -0.044 20 0 FBADHN CC(C)C(=O)N1C[C@@H](NC[C@H](C)CS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129589759 839522624 /nfs/dbraw/zinc/52/26/24/839522624.db2.gz WHVSPKWWDYAYCG-MJBXVCDLSA-N 0 3 357.480 -0.044 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 ZINC001129593884 839523534 /nfs/dbraw/zinc/52/35/34/839523534.db2.gz CQLHBOHLMUBIEK-ILXRZTDVSA-N 0 3 353.423 -0.540 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 ZINC001129593885 839523704 /nfs/dbraw/zinc/52/37/04/839523704.db2.gz CQLHBOHLMUBIEK-QLFBSQMISA-N 0 3 353.423 -0.540 20 0 FBADHN O=C([C@H]1COCCO1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129594143 839524195 /nfs/dbraw/zinc/52/41/95/839524195.db2.gz GTYPYCMJQHSUFS-GRYCIOLGSA-N 0 3 363.340 -0.013 20 0 FBADHN O=C([C@@H]1COCCO1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129594144 839524285 /nfs/dbraw/zinc/52/42/85/839524285.db2.gz GTYPYCMJQHSUFS-WOPDTQHZSA-N 0 3 363.340 -0.013 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)CCCC(C)=O)C[C@@H]1n1ccnn1 ZINC001129594437 839523848 /nfs/dbraw/zinc/52/38/48/839523848.db2.gz JYHGKYXLOOMLNM-KFWWJZLASA-N 0 3 353.423 -0.614 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)CCCC(C)=O)C[C@@H]1n1ccnn1 ZINC001129594438 839523969 /nfs/dbraw/zinc/52/39/69/839523969.db2.gz JYHGKYXLOOMLNM-ZNMIVQPWSA-N 0 3 353.423 -0.614 20 0 FBADHN CC(=O)CCCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129594776 839524186 /nfs/dbraw/zinc/52/41/86/839524186.db2.gz QBZXZHQRERACRX-CABCVRRESA-N 0 3 353.423 -0.612 20 0 FBADHN CC(C)OCCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129598161 839520178 /nfs/dbraw/zinc/52/01/78/839520178.db2.gz CEFAUOPNNSJSRZ-CABCVRRESA-N 0 3 355.439 -0.556 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129603861 839521302 /nfs/dbraw/zinc/52/13/02/839521302.db2.gz NEXIUSHEXJRVMC-OLZOCXBDSA-N 0 3 367.435 -0.909 20 0 FBADHN Cc1ncsc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129607824 839521262 /nfs/dbraw/zinc/52/12/62/839521262.db2.gz CWJXBYHVUCPWDL-OLZOCXBDSA-N 0 3 366.447 -0.293 20 0 FBADHN O=C(C[C@H]1CCCO1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129607927 839521169 /nfs/dbraw/zinc/52/11/69/839521169.db2.gz GAEIFSRFHCUJPE-KFWWJZLASA-N 0 3 353.423 -0.802 20 0 FBADHN O=C(C[C@@H]1CCCO1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129607935 839521725 /nfs/dbraw/zinc/52/17/25/839521725.db2.gz GAEIFSRFHCUJPE-ZNMIVQPWSA-N 0 3 353.423 -0.802 20 0 FBADHN O=C(c1cn[nH]c1)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129608086 839520912 /nfs/dbraw/zinc/52/09/12/839520912.db2.gz KPGVQBODQDPGAR-NEPJUHHUSA-N 0 3 355.349 -0.062 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 ZINC001129608209 839523262 /nfs/dbraw/zinc/52/32/62/839523262.db2.gz NXSSPXIQVOFBFE-NEPJUHHUSA-N 0 3 367.435 -0.552 20 0 FBADHN CC(C)SCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129608582 839522752 /nfs/dbraw/zinc/52/27/52/839522752.db2.gz SPXDXEJDSHZPOO-KGLIPLIRSA-N 0 3 357.480 -0.230 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001129612817 839527120 /nfs/dbraw/zinc/52/71/20/839527120.db2.gz DMNMBKWYGVSJHC-OLZOCXBDSA-N 0 3 367.435 -0.909 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 ZINC001129613214 839524141 /nfs/dbraw/zinc/52/41/41/839524141.db2.gz OURJCFODKHWKCW-OLZOCXBDSA-N 0 3 367.435 -0.552 20 0 FBADHN CCSCCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129613492 839524279 /nfs/dbraw/zinc/52/42/79/839524279.db2.gz UGDVAWCAHKVIJH-KGLIPLIRSA-N 0 3 357.480 -0.228 20 0 FBADHN CC(=O)N(C)CC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129613818 839523565 /nfs/dbraw/zinc/52/35/65/839523565.db2.gz YMGLROLCEVSCEH-CABCVRRESA-N 0 3 352.439 -0.477 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129617508 839524238 /nfs/dbraw/zinc/52/42/38/839524238.db2.gz AEHIMYNKEOVWPW-KGLIPLIRSA-N 0 3 350.379 -0.416 20 0 FBADHN CS[C@H](C)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129617598 839523895 /nfs/dbraw/zinc/52/38/95/839523895.db2.gz DQTOSJMCDSXWMO-BNOWGMLFSA-N 0 3 366.491 -0.103 20 0 FBADHN CS[C@@H](C)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129617699 839524008 /nfs/dbraw/zinc/52/40/08/839524008.db2.gz DQTOSJMCDSXWMO-YUTCNCBUSA-N 0 3 366.491 -0.103 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129617734 839523606 /nfs/dbraw/zinc/52/36/06/839523606.db2.gz FMFYCLDKKPLRQK-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129618579 839525106 /nfs/dbraw/zinc/52/51/06/839525106.db2.gz VAXBUIWJALUBRZ-OLZOCXBDSA-N 0 3 368.419 -0.644 20 0 FBADHN CCO[C@H](C)C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129618979 839525379 /nfs/dbraw/zinc/52/53/79/839525379.db2.gz YEVPMFJPZBWSRH-KFWWJZLASA-N 0 3 355.439 -0.292 20 0 FBADHN CCO[C@@H](C)C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129618980 839525415 /nfs/dbraw/zinc/52/54/15/839525415.db2.gz YEVPMFJPZBWSRH-ZNMIVQPWSA-N 0 3 355.439 -0.292 20 0 FBADHN O=C(COCC1CC1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129624960 839524871 /nfs/dbraw/zinc/52/48/71/839524871.db2.gz VLIVLJVQMLOJIT-CABCVRRESA-N 0 3 353.423 -0.945 20 0 FBADHN CCOCCCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129630133 839526054 /nfs/dbraw/zinc/52/60/54/839526054.db2.gz PNPSMVAGBWLOEF-CABCVRRESA-N 0 3 355.439 -0.555 20 0 FBADHN COC(=O)NCC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129632998 839526513 /nfs/dbraw/zinc/52/65/13/839526513.db2.gz BHQUIGUPXYLOPS-ZJUUUORDSA-N 0 3 364.328 -0.072 20 0 FBADHN CCCSCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129634002 839526333 /nfs/dbraw/zinc/52/63/33/839526333.db2.gz XXUVJLGVFFXAIL-KGLIPLIRSA-N 0 3 357.480 -0.228 20 0 FBADHN O=C(CC(F)(F)F)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129637652 839526209 /nfs/dbraw/zinc/52/62/09/839526209.db2.gz FOTQYCHYPUAZDU-MNOVXSKESA-N 0 3 351.329 -0.419 20 0 FBADHN CO[C@H](C)C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129637890 839526320 /nfs/dbraw/zinc/52/63/20/839526320.db2.gz LNKTZJVMMMYJMO-UPJWGTAASA-N 0 3 359.452 -0.911 20 0 FBADHN CO[C@@H](C)C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129637891 839526443 /nfs/dbraw/zinc/52/64/43/839526443.db2.gz LNKTZJVMMMYJMO-XQQFMLRXSA-N 0 3 359.452 -0.911 20 0 FBADHN O=C(c1cncs1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129638398 839527166 /nfs/dbraw/zinc/52/71/66/839527166.db2.gz VWVPOVQBZXRFNK-NEPJUHHUSA-N 0 3 352.420 -0.601 20 0 FBADHN COC(=O)NCC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129638434 839527621 /nfs/dbraw/zinc/52/76/21/839527621.db2.gz XUMVWZHNCGMISD-OLZOCXBDSA-N 0 3 354.411 -0.599 20 0 FBADHN CCCC(=O)NCC(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001129647216 839529962 /nfs/dbraw/zinc/52/99/62/839529962.db2.gz QLFKQVDUFDUXIX-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CO[C@H](C)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129647347 839530484 /nfs/dbraw/zinc/53/04/84/839530484.db2.gz RFDAFCYZJVDZRN-BNOWGMLFSA-N 0 3 350.423 -0.819 20 0 FBADHN CO[C@@H](C)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129647348 839530094 /nfs/dbraw/zinc/53/00/94/839530094.db2.gz RFDAFCYZJVDZRN-YUTCNCBUSA-N 0 3 350.423 -0.819 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129650057 839529689 /nfs/dbraw/zinc/52/96/89/839529689.db2.gz BTPVXVRLLDOACF-OLZOCXBDSA-N 0 3 359.452 -0.911 20 0 FBADHN CCO[C@@H](CC)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129650101 839530466 /nfs/dbraw/zinc/53/04/66/839530466.db2.gz CLHQTMFEXZGVTP-ILXRZTDVSA-N 0 3 355.439 -0.556 20 0 FBADHN CCO[C@H](CC)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129650102 839529928 /nfs/dbraw/zinc/52/99/28/839529928.db2.gz CLHQTMFEXZGVTP-QLFBSQMISA-N 0 3 355.439 -0.556 20 0 FBADHN CS(=O)(=O)CC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129650704 839530544 /nfs/dbraw/zinc/53/05/44/839530544.db2.gz JOPSIFMAZLZGIZ-ZJUUUORDSA-N 0 3 369.369 -0.383 20 0 FBADHN Cc1ocnc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129651003 839529788 /nfs/dbraw/zinc/52/97/88/839529788.db2.gz MYRKPFURKAAKII-OLZOCXBDSA-N 0 3 350.379 -0.761 20 0 FBADHN CS(=O)(=O)CC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129651188 839529808 /nfs/dbraw/zinc/52/98/08/839529808.db2.gz PFHIWHJRVDWKPC-KGLIPLIRSA-N 0 3 371.463 -0.909 20 0 FBADHN CS(=O)(=O)CC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129651708 839529825 /nfs/dbraw/zinc/52/98/25/839529825.db2.gz RANKESXOOUVGQZ-KGLIPLIRSA-N 0 3 371.463 -0.767 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656272 839531211 /nfs/dbraw/zinc/53/12/11/839531211.db2.gz NGVZEUKJTGJCEG-MCIONIFRSA-N 0 3 371.463 -0.909 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656273 839531040 /nfs/dbraw/zinc/53/10/40/839531040.db2.gz NGVZEUKJTGJCEG-MJBXVCDLSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656291 839531539 /nfs/dbraw/zinc/53/15/39/839531539.db2.gz OAGVEINBGYOLKK-KFWWJZLASA-N 0 3 353.423 -0.681 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656292 839531416 /nfs/dbraw/zinc/53/14/16/839531416.db2.gz OAGVEINBGYOLKK-ZNMIVQPWSA-N 0 3 353.423 -0.681 20 0 FBADHN CCCOCC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129656353 839530951 /nfs/dbraw/zinc/53/09/51/839530951.db2.gz PJMDKMVBAZCEFC-CABCVRRESA-N 0 3 355.439 -0.291 20 0 FBADHN CC[C@H](OC)C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129656539 839531468 /nfs/dbraw/zinc/53/14/68/839531468.db2.gz RBJZOXQFFOHCPK-ILXRZTDVSA-N 0 3 355.439 -0.292 20 0 FBADHN CC[C@@H](OC)C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129656540 839531068 /nfs/dbraw/zinc/53/10/68/839531068.db2.gz RBJZOXQFFOHCPK-QLFBSQMISA-N 0 3 355.439 -0.292 20 0 FBADHN O=C([C@@H]1CCOC1)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129656543 839531172 /nfs/dbraw/zinc/53/11/72/839531172.db2.gz RDHNSTRKBNIJBN-UPJWGTAASA-N 0 3 359.377 -0.062 20 0 FBADHN O=C([C@H]1CCOC1)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129656545 839531649 /nfs/dbraw/zinc/53/16/49/839531649.db2.gz RDHNSTRKBNIJBN-XQQFMLRXSA-N 0 3 359.377 -0.062 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129659424 839527683 /nfs/dbraw/zinc/52/76/83/839527683.db2.gz GRCXGMLWLHXHCE-KFWWJZLASA-N 0 3 355.439 -0.292 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129659425 839527030 /nfs/dbraw/zinc/52/70/30/839527030.db2.gz GRCXGMLWLHXHCE-ZNMIVQPWSA-N 0 3 355.439 -0.292 20 0 FBADHN Cc1ncc(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)s1 ZINC001129659838 839529206 /nfs/dbraw/zinc/52/92/06/839529206.db2.gz XDXAZCTZJVXVPX-OLZOCXBDSA-N 0 3 366.447 -0.293 20 0 FBADHN COCCCC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129664010 839528592 /nfs/dbraw/zinc/52/85/92/839528592.db2.gz DMWZNKUZPPGOLI-CABCVRRESA-N 0 3 355.439 -0.291 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)COC(C)C)C[C@@H]1n1ccnn1 ZINC001129667141 839528680 /nfs/dbraw/zinc/52/86/80/839528680.db2.gz PKBDUHOACPQQEO-CABCVRRESA-N 0 3 355.439 -0.292 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001129670975 839529113 /nfs/dbraw/zinc/52/91/13/839529113.db2.gz CWZIXIJMZUPRDV-OCCSQVGLSA-N 0 3 350.379 -0.416 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129671217 839529230 /nfs/dbraw/zinc/52/92/30/839529230.db2.gz JAUAQCPDTKUSKF-MCIONIFRSA-N 0 3 350.423 -0.677 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001129671338 839528410 /nfs/dbraw/zinc/52/84/10/839528410.db2.gz NWGJQCDSYITPCQ-YPMHNXCESA-N 0 3 368.419 -0.644 20 0 FBADHN O=C([C@H]1CCC(=O)N1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129671534 839528515 /nfs/dbraw/zinc/52/85/15/839528515.db2.gz RSSIZZRKBYCWED-MXWKQRLJSA-N 0 3 360.340 -0.149 20 0 FBADHN O=C([C@@H]1CCCOC1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129675022 839535160 /nfs/dbraw/zinc/53/51/60/839535160.db2.gz FAHIQDYZWBFDNC-KFWWJZLASA-N 0 3 353.423 -0.945 20 0 FBADHN O=C([C@H]1CCCOC1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129675024 839535648 /nfs/dbraw/zinc/53/56/48/839535648.db2.gz FAHIQDYZWBFDNC-ZNMIVQPWSA-N 0 3 353.423 -0.945 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001129675220 839535184 /nfs/dbraw/zinc/53/51/84/839535184.db2.gz JIEUIZQGDTXGIJ-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN O=C(c1cscn1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129675498 839535318 /nfs/dbraw/zinc/53/53/18/839535318.db2.gz OLGRJPDMXFOIBR-YPMHNXCESA-N 0 3 352.420 -0.601 20 0 FBADHN Cc1ncc(C(=O)N2C[C@@H](NCCS(C)(=O)=O)[C@@H](n3ccnn3)C2)[nH]1 ZINC001129677710 839536621 /nfs/dbraw/zinc/53/66/21/839536621.db2.gz LOARWWGTTUOBMD-OLZOCXBDSA-N 0 3 367.435 -0.990 20 0 FBADHN O=C(C1=COCCC1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129677841 839537228 /nfs/dbraw/zinc/53/72/28/839537228.db2.gz ORIXNXQKOXIXFZ-CABCVRRESA-N 0 3 351.407 -0.677 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129681420 839531090 /nfs/dbraw/zinc/53/10/90/839531090.db2.gz QZXIDCXZGUPSJD-KFWWJZLASA-N 0 3 355.439 -0.435 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129681424 839531819 /nfs/dbraw/zinc/53/18/19/839531819.db2.gz QZXIDCXZGUPSJD-ZNMIVQPWSA-N 0 3 355.439 -0.435 20 0 FBADHN CSC[C@@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129685997 839532565 /nfs/dbraw/zinc/53/25/65/839532565.db2.gz VQSBCAPUEBEOEX-MCIONIFRSA-N 0 3 364.479 -0.090 20 0 FBADHN CSC[C@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129686007 839532462 /nfs/dbraw/zinc/53/24/62/839532462.db2.gz VQSBCAPUEBEOEX-MJBXVCDLSA-N 0 3 364.479 -0.090 20 0 FBADHN CSC[C@@H](C)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129686168 839532439 /nfs/dbraw/zinc/53/24/39/839532439.db2.gz YJCPIJDLOMUFKH-MCIONIFRSA-N 0 3 357.480 -0.372 20 0 FBADHN CSC[C@H](C)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129686172 839532696 /nfs/dbraw/zinc/53/26/96/839532696.db2.gz YJCPIJDLOMUFKH-MJBXVCDLSA-N 0 3 357.480 -0.372 20 0 FBADHN COC[C@H](O)CN[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129690031 839532995 /nfs/dbraw/zinc/53/29/95/839532995.db2.gz DSWWAWFWBVBURA-UPJWGTAASA-N 0 3 353.423 -0.758 20 0 FBADHN COC[C@@H](O)CN[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129690032 839532916 /nfs/dbraw/zinc/53/29/16/839532916.db2.gz DSWWAWFWBVBURA-XQQFMLRXSA-N 0 3 353.423 -0.758 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129690604 839532871 /nfs/dbraw/zinc/53/28/71/839532871.db2.gz KZNLHGPZQVIJKZ-KGLIPLIRSA-N 0 3 352.439 -0.429 20 0 FBADHN CC(C)(C)C(=O)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129691112 839532936 /nfs/dbraw/zinc/53/29/36/839532936.db2.gz PRFYFDNLJUHARK-OLZOCXBDSA-N 0 3 353.423 -0.756 20 0 FBADHN CCOCCC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129695853 839532505 /nfs/dbraw/zinc/53/25/05/839532505.db2.gz GLASIBPTFXAOEE-CABCVRRESA-N 0 3 355.439 -0.291 20 0 FBADHN CC(C)CCOCCN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129699170 839534366 /nfs/dbraw/zinc/53/43/66/839534366.db2.gz MJKMGBSJJPAAPN-KGLIPLIRSA-N 0 3 352.439 -0.442 20 0 FBADHN NC(=O)CC(=O)N1C[C@@H](NCCOCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129699504 839533874 /nfs/dbraw/zinc/53/38/74/839533874.db2.gz XFRQDFSFJMYVGP-ZJUUUORDSA-N 0 3 364.328 -0.926 20 0 FBADHN O=C(C[C@H]1CCOC1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129699564 839534386 /nfs/dbraw/zinc/53/43/86/839534386.db2.gz YKIZPLPRZSSDPE-KFWWJZLASA-N 0 3 353.423 -0.945 20 0 FBADHN O=C(C[C@@H]1CCOC1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129699565 839533456 /nfs/dbraw/zinc/53/34/56/839533456.db2.gz YKIZPLPRZSSDPE-ZNMIVQPWSA-N 0 3 353.423 -0.945 20 0 FBADHN NC(=O)CC(=O)N1C[C@@H](NCCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129703403 839533957 /nfs/dbraw/zinc/53/39/57/839533957.db2.gz BDJRRXVHFORCBR-KGLIPLIRSA-N 0 3 350.423 -0.688 20 0 FBADHN COCCCCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129703731 839533792 /nfs/dbraw/zinc/53/37/92/839533792.db2.gz LHXQAGCRDJSBDA-CABCVRRESA-N 0 3 355.439 -0.555 20 0 FBADHN CCCCOCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129708099 839538291 /nfs/dbraw/zinc/53/82/91/839538291.db2.gz IJHSFJVPXQTNQH-CABCVRRESA-N 0 3 355.439 -0.555 20 0 FBADHN COCCOCC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129713163 839536128 /nfs/dbraw/zinc/53/61/28/839536128.db2.gz ZOQTWDPWPOUQSE-CABCVRRESA-N 0 3 355.439 -0.292 20 0 FBADHN CN1CCO[C@@H](C(=O)N2C[C@@H](NC/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001129717651 839536290 /nfs/dbraw/zinc/53/62/90/839536290.db2.gz OFLNXGOYSXMVQS-BIGZAMJYSA-N 0 3 354.842 -0.297 20 0 FBADHN CN1CCO[C@H](C(=O)N2C[C@@H](NC/C=C\Cl)[C@@H](n3ccnn3)C2)C1 ZINC001129717652 839536366 /nfs/dbraw/zinc/53/63/66/839536366.db2.gz OFLNXGOYSXMVQS-JTARLLJMSA-N 0 3 354.842 -0.297 20 0 FBADHN CN1CCO[C@@H](C(=O)N2C[C@@H](NC/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001129717653 839537090 /nfs/dbraw/zinc/53/70/90/839537090.db2.gz OFLNXGOYSXMVQS-NKYARGOZSA-N 0 3 354.842 -0.297 20 0 FBADHN CN1CCO[C@H](C(=O)N2C[C@@H](NC/C=C/Cl)[C@@H](n3ccnn3)C2)C1 ZINC001129717655 839536826 /nfs/dbraw/zinc/53/68/26/839536826.db2.gz OFLNXGOYSXMVQS-ZGRMYDCFSA-N 0 3 354.842 -0.297 20 0 FBADHN Cc1ncoc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129717690 839536385 /nfs/dbraw/zinc/53/63/85/839536385.db2.gz PFIHAHOLUVMANL-OLZOCXBDSA-N 0 3 350.379 -0.761 20 0 FBADHN O=C(C1CC(F)(F)C1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129726857 839536493 /nfs/dbraw/zinc/53/64/93/839536493.db2.gz AFJOFHUIAZJFGS-OLZOCXBDSA-N 0 3 359.377 -0.326 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129737933 839537983 /nfs/dbraw/zinc/53/79/83/839537983.db2.gz XFXGRUJWUJNEJJ-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129737934 839537516 /nfs/dbraw/zinc/53/75/16/839537516.db2.gz XFXGRUJWUJNEJJ-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN O=C([C@@H]1CCCCO1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129741564 839540467 /nfs/dbraw/zinc/54/04/67/839540467.db2.gz CKRAMNHBVHXONO-ILXRZTDVSA-N 0 3 353.423 -0.802 20 0 FBADHN O=C([C@H]1CCCCO1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129741565 839540596 /nfs/dbraw/zinc/54/05/96/839540596.db2.gz CKRAMNHBVHXONO-QLFBSQMISA-N 0 3 353.423 -0.802 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129742090 839540731 /nfs/dbraw/zinc/54/07/31/839540731.db2.gz PRBSWJRFOAJATP-MCIONIFRSA-N 0 3 351.407 -0.391 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129742094 839540821 /nfs/dbraw/zinc/54/08/21/839540821.db2.gz PRBSWJRFOAJATP-MJBXVCDLSA-N 0 3 351.407 -0.391 20 0 FBADHN O=C(CCC(F)(F)F)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129747837 839540210 /nfs/dbraw/zinc/54/02/10/839540210.db2.gz JFYAKQUCFWTTGI-NEPJUHHUSA-N 0 3 365.356 -0.029 20 0 FBADHN CC[C@@H](SC)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129753786 839539377 /nfs/dbraw/zinc/53/93/77/839539377.db2.gz PXVCUWCRJHHCEP-HZSPNIEDSA-N 0 3 357.480 -0.230 20 0 FBADHN CC[C@H](SC)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129753787 839539087 /nfs/dbraw/zinc/53/90/87/839539087.db2.gz PXVCUWCRJHHCEP-RDBSUJKOSA-N 0 3 357.480 -0.230 20 0 FBADHN CS[C@H](C)CC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129754065 839539581 /nfs/dbraw/zinc/53/95/81/839539581.db2.gz WTXIUBFYAYSSMC-MCIONIFRSA-N 0 3 357.480 -0.230 20 0 FBADHN CS[C@@H](C)CC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129754066 839539388 /nfs/dbraw/zinc/53/93/88/839539388.db2.gz WTXIUBFYAYSSMC-MJBXVCDLSA-N 0 3 357.480 -0.230 20 0 FBADHN CC(C)(C)OCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129756866 839539627 /nfs/dbraw/zinc/53/96/27/839539627.db2.gz LAKKFRUXWAFFJE-KGLIPLIRSA-N 0 3 355.439 -0.556 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@@H]1n1ccnn1 ZINC001129756960 839539148 /nfs/dbraw/zinc/53/91/48/839539148.db2.gz OQIOPEMPSHUZJP-NEPJUHHUSA-N 0 3 350.379 -0.034 20 0 FBADHN Cc1nscc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129757188 839539552 /nfs/dbraw/zinc/53/95/52/839539552.db2.gz YQNOXGJZCVRMHQ-KGLIPLIRSA-N 0 3 366.447 -0.293 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CCCC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129762857 839540619 /nfs/dbraw/zinc/54/06/19/839540619.db2.gz RFOSYUQWUWGIAJ-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CCCCOCCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129770378 839542617 /nfs/dbraw/zinc/54/26/17/839542617.db2.gz GLXSOGCKCBSYPB-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN Cc1nc(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)co1 ZINC001129770937 839542902 /nfs/dbraw/zinc/54/29/02/839542902.db2.gz NTTZYBNBCOVWKC-OCCSQVGLSA-N 0 3 350.379 -0.761 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129770946 839542828 /nfs/dbraw/zinc/54/28/28/839542828.db2.gz NWNUXVQUYLTMBO-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129774159 839543019 /nfs/dbraw/zinc/54/30/19/839543019.db2.gz GFFKIIVJYNRCPV-MNOVXSKESA-N 0 3 360.365 -0.963 20 0 FBADHN CO[C@H](C)CCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129774251 839542954 /nfs/dbraw/zinc/54/29/54/839542954.db2.gz HOYXGJADCJILSB-KFWWJZLASA-N 0 3 355.439 -0.556 20 0 FBADHN CO[C@@H](C)CCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129774252 839543234 /nfs/dbraw/zinc/54/32/34/839543234.db2.gz HOYXGJADCJILSB-ZNMIVQPWSA-N 0 3 355.439 -0.556 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129774372 839542521 /nfs/dbraw/zinc/54/25/21/839542521.db2.gz JXARBXSYLGBYSJ-KGLIPLIRSA-N 0 3 352.439 -0.572 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129774439 839542639 /nfs/dbraw/zinc/54/26/39/839542639.db2.gz LBFLTEOTCJSFCV-KGLIPLIRSA-N 0 3 350.423 -0.675 20 0 FBADHN CNC(=O)CC(=O)N1C[C@@H](NCCc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129774565 839543057 /nfs/dbraw/zinc/54/30/57/839543057.db2.gz LPUFFZDVYNGUOM-OLZOCXBDSA-N 0 3 363.447 -0.545 20 0 FBADHN CC[C@@H](C)OCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129778693 839544368 /nfs/dbraw/zinc/54/43/68/839544368.db2.gz ZVUQGESIULUZBB-KFWWJZLASA-N 0 3 355.439 -0.556 20 0 FBADHN CC[C@H](C)OCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129778695 839543983 /nfs/dbraw/zinc/54/39/83/839543983.db2.gz ZVUQGESIULUZBB-ZNMIVQPWSA-N 0 3 355.439 -0.556 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129782710 839544172 /nfs/dbraw/zinc/54/41/72/839544172.db2.gz NEJHTKVLIOPWET-AEJSXWLSSA-N 0 3 363.344 -0.371 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129782771 839544120 /nfs/dbraw/zinc/54/41/20/839544120.db2.gz OKZXGKNXMCZSEZ-XQQFMLRXSA-N 0 3 353.427 -0.899 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1n1ccnn1 ZINC001129787945 839544155 /nfs/dbraw/zinc/54/41/55/839544155.db2.gz FQGMUUPXCACMCR-CABCVRRESA-N 0 3 350.423 -0.866 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1 ZINC001129788150 839544326 /nfs/dbraw/zinc/54/43/26/839544326.db2.gz HKWKBUBUDXXGTP-KGLIPLIRSA-N 0 3 353.423 -0.191 20 0 FBADHN CO[C@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129789495 839540663 /nfs/dbraw/zinc/54/06/63/839540663.db2.gz YYHACAATNBPESA-ILXRZTDVSA-N 0 3 353.423 -0.947 20 0 FBADHN CO[C@@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129789496 839540655 /nfs/dbraw/zinc/54/06/55/839540655.db2.gz YYHACAATNBPESA-QLFBSQMISA-N 0 3 353.423 -0.947 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)ns1 ZINC001129791465 839541459 /nfs/dbraw/zinc/54/14/59/839541459.db2.gz FRRJRYDTIUWVTQ-KGLIPLIRSA-N 0 3 366.447 -0.293 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129792044 839541904 /nfs/dbraw/zinc/54/19/04/839541904.db2.gz WIWVJIPRZAKXKH-KGLIPLIRSA-N 0 3 355.439 -0.556 20 0 FBADHN O=C([C@H]1COC(=O)N1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129795375 839541611 /nfs/dbraw/zinc/54/16/11/839541611.db2.gz HDEYLTXTTRROEX-BBBLOLIVSA-N 0 3 362.312 -0.320 20 0 FBADHN O=C([C@@H]1COC(=O)N1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129795376 839541879 /nfs/dbraw/zinc/54/18/79/839541879.db2.gz HDEYLTXTTRROEX-UTLUCORTSA-N 0 3 362.312 -0.320 20 0 FBADHN CCNC(=O)CC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001129797642 839541663 /nfs/dbraw/zinc/54/16/63/839541663.db2.gz BHGOVUFCKNRDMD-KGLIPLIRSA-N 0 3 352.439 -0.429 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1 ZINC001129798009 839541638 /nfs/dbraw/zinc/54/16/38/839541638.db2.gz KZIZCOONXFAYLL-NEPJUHHUSA-N 0 3 350.379 -0.738 20 0 FBADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001129798655 839542987 /nfs/dbraw/zinc/54/29/87/839542987.db2.gz ZTWOUGAGHKOPQK-NEPJUHHUSA-N 0 3 353.423 -0.932 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001129802299 839547041 /nfs/dbraw/zinc/54/70/41/839547041.db2.gz CUNQWNSKSYJKCQ-BJJXKVORSA-N 0 3 355.435 -0.867 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001129802300 839547018 /nfs/dbraw/zinc/54/70/18/839547018.db2.gz CUNQWNSKSYJKCQ-NOLJZWGESA-N 0 3 355.435 -0.867 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NCc1ccc(F)cc1 ZINC001129802663 839546799 /nfs/dbraw/zinc/54/67/99/839546799.db2.gz LTIJQSBWLCOOIW-LRDDRELGSA-N 0 3 353.394 -0.048 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CCCC1 ZINC001129802722 839546324 /nfs/dbraw/zinc/54/63/24/839546324.db2.gz NIJSFUMKXDVKHA-FZMZJTMJSA-N 0 3 356.423 -0.736 20 0 FBADHN C[C@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001129802852 839547124 /nfs/dbraw/zinc/54/71/24/839547124.db2.gz QJIXMJGQXKJQQC-SRVKXCTJSA-N 0 3 358.439 -0.491 20 0 FBADHN C[C@@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001129802853 839547086 /nfs/dbraw/zinc/54/70/86/839547086.db2.gz QJIXMJGQXKJQQC-WOPDTQHZSA-N 0 3 358.439 -0.491 20 0 FBADHN CC(C)[C@@H](O)C(=O)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129803247 839545775 /nfs/dbraw/zinc/54/57/75/839545775.db2.gz BTIRWPSPXUCXDA-MBNYWOFBSA-N 0 3 361.393 -0.082 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129803282 839545671 /nfs/dbraw/zinc/54/56/71/839545671.db2.gz DILAZHVSOSDOGK-QLFBSQMISA-N 0 3 355.439 -0.701 20 0 FBADHN O=C([C@H]1C[C@@H]1C(F)F)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129803589 839545173 /nfs/dbraw/zinc/54/51/73/839545173.db2.gz SLPYNEFBQIGBHS-RVMXOQNASA-N 0 3 359.377 -0.470 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129803700 839545914 /nfs/dbraw/zinc/54/59/14/839545914.db2.gz ZQBYPSFVUPSLKZ-AGIUHOORSA-N 0 3 352.395 -0.847 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129803701 839545413 /nfs/dbraw/zinc/54/54/13/839545413.db2.gz ZQBYPSFVUPSLKZ-UPJWGTAASA-N 0 3 352.395 -0.847 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCCNS(=O)(=O)c1ccccc1 ZINC001129806124 839545103 /nfs/dbraw/zinc/54/51/03/839545103.db2.gz DGWWXXBAZAQVKC-ZFWWWQNUSA-N 0 3 371.459 -0.525 20 0 FBADHN CNS(=O)(=O)c1ccc(CNCCNC(=O)[C@H]2OCCO[C@H]2C)cc1 ZINC001129806925 839544809 /nfs/dbraw/zinc/54/48/09/839544809.db2.gz UJDVJPJWXJCFLW-WFASDCNBSA-N 0 3 371.459 -0.396 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NCCc1cccs1 ZINC001129807064 839544961 /nfs/dbraw/zinc/54/49/61/839544961.db2.gz YAJYLYHYCOKFQU-WFASDCNBSA-N 0 3 355.460 -0.084 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001129807111 839545133 /nfs/dbraw/zinc/54/51/33/839545133.db2.gz ZVSALFAHUOHSBL-AXFHLTTASA-N 0 3 353.341 -0.341 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@H]1CCN(CC(F)(F)F)C1=O ZINC001129807112 839545151 /nfs/dbraw/zinc/54/51/51/839545151.db2.gz ZVSALFAHUOHSBL-DCAQKATOSA-N 0 3 353.341 -0.341 20 0 FBADHN CC(C)CCOCCNC(=O)CNCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129808968 839545535 /nfs/dbraw/zinc/54/55/35/839545535.db2.gz ADCVPVROCOSGKC-HOCLYGCPSA-N 0 3 359.467 -0.325 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NCc1ccccc1F ZINC001129809720 839545315 /nfs/dbraw/zinc/54/53/15/839545315.db2.gz KWZXGENJXGVLKE-LRDDRELGSA-N 0 3 353.394 -0.048 20 0 FBADHN CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129810004 839545572 /nfs/dbraw/zinc/54/55/72/839545572.db2.gz OCOMOSFVUBHHTR-AGIUHOORSA-N 0 3 358.439 -0.634 20 0 FBADHN CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129810005 839544863 /nfs/dbraw/zinc/54/48/63/839544863.db2.gz OCOMOSFVUBHHTR-AVGNSLFASA-N 0 3 358.439 -0.634 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NCCc1ccsc1 ZINC001129810446 839545207 /nfs/dbraw/zinc/54/52/07/839545207.db2.gz XGDHGNATRXIERW-WFASDCNBSA-N 0 3 355.460 -0.084 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@@H]1n1ccnn1 ZINC001129812187 839546871 /nfs/dbraw/zinc/54/68/71/839546871.db2.gz SYQWKGCODJQQCX-UPJWGTAASA-N 0 3 359.377 -0.062 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@@H]1n1ccnn1 ZINC001129812188 839546508 /nfs/dbraw/zinc/54/65/08/839546508.db2.gz SYQWKGCODJQQCX-XQQFMLRXSA-N 0 3 359.377 -0.062 20 0 FBADHN O=C(c1ncc[nH]1)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129816922 839546603 /nfs/dbraw/zinc/54/66/03/839546603.db2.gz NTGGTWYYGGJWDA-MNOVXSKESA-N 0 3 355.349 -0.062 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129824743 839547149 /nfs/dbraw/zinc/54/71/49/839547149.db2.gz ANGYQPCFWVNMPF-NEPJUHHUSA-N 0 3 367.435 -0.909 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129833836 839549638 /nfs/dbraw/zinc/54/96/38/839549638.db2.gz GQKHOUQIAFJWGX-KFWWJZLASA-N 0 3 353.423 -0.538 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129833837 839548831 /nfs/dbraw/zinc/54/88/31/839548831.db2.gz GQKHOUQIAFJWGX-ZNMIVQPWSA-N 0 3 353.423 -0.538 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129834027 839549012 /nfs/dbraw/zinc/54/90/12/839549012.db2.gz LLALTGBGADYSDQ-UPJWGTAASA-N 0 3 353.427 -0.897 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129834068 839549300 /nfs/dbraw/zinc/54/93/00/839549300.db2.gz LLALTGBGADYSDQ-XQQFMLRXSA-N 0 3 353.427 -0.897 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1C[C@@H](NCC=C(C)C)[C@@H](n2ccnn2)C1 ZINC001129844544 839546927 /nfs/dbraw/zinc/54/69/27/839546927.db2.gz GSAPMOSGQVCRGZ-KGLIPLIRSA-N 0 3 370.479 -0.475 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1n1ccnn1 ZINC001129845695 839548155 /nfs/dbraw/zinc/54/81/55/839548155.db2.gz SCXLHIYZNJSAGE-NEPJUHHUSA-N 0 3 353.814 -0.033 20 0 FBADHN O=C(N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C1(C(F)F)CC1 ZINC001129846531 839548083 /nfs/dbraw/zinc/54/80/83/839548083.db2.gz ZOUZTESWAOWVMM-NEPJUHHUSA-N 0 3 359.377 -0.326 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129849966 839547599 /nfs/dbraw/zinc/54/75/99/839547599.db2.gz GEKIBNRSTOASLM-SYQHCUMBSA-N 0 3 350.423 -0.819 20 0 FBADHN O=C(Cn1ncnn1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129855149 839548281 /nfs/dbraw/zinc/54/82/81/839548281.db2.gz GMGBIEYQMYQLRK-ZJUUUORDSA-N 0 3 359.316 -0.741 20 0 FBADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001129856554 839548237 /nfs/dbraw/zinc/54/82/37/839548237.db2.gz UAWOOQLOZCGBDC-ZIAGYGMSSA-N 0 3 350.375 -0.956 20 0 FBADHN CC1(C(=O)N2C[C@@H](NCCCS(C)(=O)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001129858471 839547735 /nfs/dbraw/zinc/54/77/35/839547735.db2.gz XJNJVABWWXZUAX-OLZOCXBDSA-N 0 3 355.464 -0.146 20 0 FBADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001129859754 839548014 /nfs/dbraw/zinc/54/80/14/839548014.db2.gz KGSJNMSPPQDBPM-HUUCEWRRSA-N 0 3 371.459 -0.602 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129863682 839548452 /nfs/dbraw/zinc/54/84/52/839548452.db2.gz GHMMOEHJSHZJDW-KGLIPLIRSA-N 0 3 353.448 -0.370 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@@H]1n1ccnn1 ZINC001129863761 839548064 /nfs/dbraw/zinc/54/80/64/839548064.db2.gz JDKFIFQEIIUJDR-NEPJUHHUSA-N 0 3 353.814 -0.033 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129863869 839548130 /nfs/dbraw/zinc/54/81/30/839548130.db2.gz LMLDMWYSTXINRO-KGLIPLIRSA-N 0 3 371.463 -0.911 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1n1ccnn1 ZINC001129864178 839549191 /nfs/dbraw/zinc/54/91/91/839549191.db2.gz RZQVAZUYVSECAH-KGLIPLIRSA-N 0 3 366.447 -0.304 20 0 FBADHN CC[C@H](CN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1)OC ZINC001129864399 839549268 /nfs/dbraw/zinc/54/92/68/839549268.db2.gz YLRHIMDAAMDFIQ-MCIONIFRSA-N 0 3 371.463 -0.911 20 0 FBADHN CC[C@@H](CN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1)OC ZINC001129864400 839549037 /nfs/dbraw/zinc/54/90/37/839549037.db2.gz YLRHIMDAAMDFIQ-MJBXVCDLSA-N 0 3 371.463 -0.911 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@@H]1n1ccnn1 ZINC001129867176 839552928 /nfs/dbraw/zinc/55/29/28/839552928.db2.gz OHCXJPRPBNVKRB-MCIONIFRSA-N 0 3 352.439 -0.429 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]1n1ccnn1 ZINC001129867177 839553505 /nfs/dbraw/zinc/55/35/05/839553505.db2.gz OHCXJPRPBNVKRB-MJBXVCDLSA-N 0 3 352.439 -0.429 20 0 FBADHN O=C(Cn1nccn1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129874577 839552704 /nfs/dbraw/zinc/55/27/04/839552704.db2.gz KJLPUZLEJSAIQB-MNOVXSKESA-N 0 3 358.328 -0.136 20 0 FBADHN CCN1C[C@H](C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CC1=O ZINC001129878693 839549376 /nfs/dbraw/zinc/54/93/76/839549376.db2.gz ACSCFHWBRJXKLZ-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN CCN1C[C@@H](C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CC1=O ZINC001129878694 839548988 /nfs/dbraw/zinc/54/89/88/839548988.db2.gz ACSCFHWBRJXKLZ-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001129879009 839550751 /nfs/dbraw/zinc/55/07/51/839550751.db2.gz NTEIMEWRBJDFQK-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001129879010 839550351 /nfs/dbraw/zinc/55/03/51/839550351.db2.gz NTEIMEWRBJDFQK-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001129881137 839550640 /nfs/dbraw/zinc/55/06/40/839550640.db2.gz ASZNYUCFJBJHCZ-DOMZBBRYSA-N 0 3 354.451 -0.769 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)NC(=O)NCC(F)(F)F ZINC001129881214 839550869 /nfs/dbraw/zinc/55/08/69/839550869.db2.gz DDVUJISPSRTFFX-KOLCDFICSA-N 0 3 368.356 -0.105 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 ZINC001129881371 839550296 /nfs/dbraw/zinc/55/02/96/839550296.db2.gz FWJMHRUMAVBCHA-ZBFHGGJFSA-N 0 3 351.451 -0.101 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CN(C)C(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129881490 839550418 /nfs/dbraw/zinc/55/04/18/839550418.db2.gz LBBVPUXHIMBVMR-KGLIPLIRSA-N 0 3 352.439 -0.620 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001129881503 839550448 /nfs/dbraw/zinc/55/04/48/839550448.db2.gz HZSKOYLSBGUSBN-IPYPFGDCSA-N 0 3 354.451 -0.769 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001129881504 839550689 /nfs/dbraw/zinc/55/06/89/839550689.db2.gz HZSKOYLSBGUSBN-NFAWXSAZSA-N 0 3 354.451 -0.769 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 ZINC001129881587 839550814 /nfs/dbraw/zinc/55/08/14/839550814.db2.gz KUDJBAHUCMVLIG-ZBFHGGJFSA-N 0 3 354.451 -0.802 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@@H](NCC=C(C)C)[C@@H](n2ccnn2)C1 ZINC001129881713 839551445 /nfs/dbraw/zinc/55/14/45/839551445.db2.gz QKCCXYWERROMRO-KGLIPLIRSA-N 0 3 370.479 -0.475 20 0 FBADHN O=C(c1ccns1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129881715 839551966 /nfs/dbraw/zinc/55/19/66/839551966.db2.gz QMTWRTSEVDLHNH-NEPJUHHUSA-N 0 3 352.420 -0.601 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCCNS(=O)(=O)CCCOC ZINC001129881884 839551490 /nfs/dbraw/zinc/55/14/90/839551490.db2.gz PPKQBIKRJQENCD-KGLIPLIRSA-N 0 3 365.496 -0.537 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129881894 839551468 /nfs/dbraw/zinc/55/14/68/839551468.db2.gz WVEKIWJHPZORFD-KGLIPLIRSA-N 0 3 370.479 -0.475 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)NC(=O)N[C@H](C)COC ZINC001129884396 839551421 /nfs/dbraw/zinc/55/14/21/839551421.db2.gz FNVNORJWEVBATE-BZPMIXESSA-N 0 3 358.439 -0.632 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)NC(=O)N[C@@H](C)COC ZINC001129884400 839551841 /nfs/dbraw/zinc/55/18/41/839551841.db2.gz FNVNORJWEVBATE-SCRDCRAPSA-N 0 3 358.439 -0.632 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129884715 839551865 /nfs/dbraw/zinc/55/18/65/839551865.db2.gz RZLSWHNITPLZGB-ZJUUUORDSA-N 0 3 363.344 -0.499 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129887470 839551251 /nfs/dbraw/zinc/55/12/51/839551251.db2.gz AAPPAOXSUWZVHN-KGLIPLIRSA-N 0 3 350.423 -0.866 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129887547 839551805 /nfs/dbraw/zinc/55/18/05/839551805.db2.gz DXRDYLFGVMWBHU-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129887548 839551432 /nfs/dbraw/zinc/55/14/32/839551432.db2.gz DXRDYLFGVMWBHU-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129887877 839551932 /nfs/dbraw/zinc/55/19/32/839551932.db2.gz VHWVMCPZMGXJHS-KGLIPLIRSA-N 0 3 370.479 -0.523 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129892050 839553300 /nfs/dbraw/zinc/55/33/00/839553300.db2.gz FCTXDWPDVYVJJB-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129892051 839553115 /nfs/dbraw/zinc/55/31/15/839553115.db2.gz FCTXDWPDVYVJJB-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN COCC1(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)CCOCC1 ZINC001129892291 839552731 /nfs/dbraw/zinc/55/27/31/839552731.db2.gz PTYYTZVJEIDEPT-KGLIPLIRSA-N 0 3 353.423 -0.945 20 0 FBADHN CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129893444 839555188 /nfs/dbraw/zinc/55/51/88/839555188.db2.gz RAHLABAJDSPQLW-VXGBXAGGSA-N 0 3 350.423 -0.299 20 0 FBADHN CC(C)(C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129893505 839555865 /nfs/dbraw/zinc/55/58/65/839555865.db2.gz SSMWNYQCUZGOCT-GHMZBOCLSA-N 0 3 350.423 -0.157 20 0 FBADHN NC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001129895186 839555847 /nfs/dbraw/zinc/55/58/47/839555847.db2.gz LLZVLDLRSNUJLN-DTWKUNHWSA-N 0 3 354.329 -0.223 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129895704 839555375 /nfs/dbraw/zinc/55/53/75/839555375.db2.gz HFAQDTBWHKCRFG-HZSPNIEDSA-N 0 3 371.463 -0.767 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129895705 839555036 /nfs/dbraw/zinc/55/50/36/839555036.db2.gz HFAQDTBWHKCRFG-RDBSUJKOSA-N 0 3 371.463 -0.767 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129897814 839555785 /nfs/dbraw/zinc/55/57/85/839555785.db2.gz IOMRSFLDDZCGMN-XGUBFFRZSA-N 0 3 353.423 -0.540 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129899738 839557435 /nfs/dbraw/zinc/55/74/35/839557435.db2.gz KCPRDHFOZIMSSL-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 ZINC001129899739 839557705 /nfs/dbraw/zinc/55/77/05/839557705.db2.gz KCPRDHFOZIMSSL-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@@H]1n1ccnn1 ZINC001129899797 839557570 /nfs/dbraw/zinc/55/75/70/839557570.db2.gz MBFVEVNLEBTCIW-OLZOCXBDSA-N 0 3 350.379 -0.359 20 0 FBADHN CC[C@@]1(C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001129899881 839557685 /nfs/dbraw/zinc/55/76/85/839557685.db2.gz QGQQKYOQESAWNJ-DVOMOZLQSA-N 0 3 350.423 -0.818 20 0 FBADHN CC[C@]1(C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CCNC1=O ZINC001129899882 839557750 /nfs/dbraw/zinc/55/77/50/839557750.db2.gz QGQQKYOQESAWNJ-WWGRRREGSA-N 0 3 350.423 -0.818 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129900041 839557524 /nfs/dbraw/zinc/55/75/24/839557524.db2.gz YCBFCJDDKSGRSX-OLZOCXBDSA-N 0 3 352.439 -0.444 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129900194 839556856 /nfs/dbraw/zinc/55/68/56/839556856.db2.gz AFSJJBLEQUGFPR-IJLUTSLNSA-N 0 3 350.423 -0.158 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129900195 839556660 /nfs/dbraw/zinc/55/66/60/839556660.db2.gz AFSJJBLEQUGFPR-QJPTWQEYSA-N 0 3 350.423 -0.158 20 0 FBADHN CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129901308 839557141 /nfs/dbraw/zinc/55/71/41/839557141.db2.gz SFHMYRGTFLCXCA-VXGBXAGGSA-N 0 3 350.423 -0.155 20 0 FBADHN COC1CC(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129902518 839557476 /nfs/dbraw/zinc/55/74/76/839557476.db2.gz PJXNBHLLGSEZOJ-CVSAEHQPSA-N 0 3 353.423 -0.947 20 0 FBADHN O=C(Cc1cncs1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129902562 839557639 /nfs/dbraw/zinc/55/76/39/839557639.db2.gz SCANJRIXSICHOO-KGLIPLIRSA-N 0 3 366.447 -0.672 20 0 FBADHN O=C([C@H]1CCC1(F)F)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129904890 839553132 /nfs/dbraw/zinc/55/31/32/839553132.db2.gz NCPWSBJCPAOPTJ-UPJWGTAASA-N 0 3 359.377 -0.326 20 0 FBADHN O=C([C@@H]1CCC1(F)F)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129904892 839552840 /nfs/dbraw/zinc/55/28/40/839552840.db2.gz NCPWSBJCPAOPTJ-XQQFMLRXSA-N 0 3 359.377 -0.326 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129905084 839553544 /nfs/dbraw/zinc/55/35/44/839553544.db2.gz QUBRGWVSXIOEJN-MCIONIFRSA-N 0 3 350.423 -0.675 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129905320 839554692 /nfs/dbraw/zinc/55/46/92/839554692.db2.gz USNIDVYHSPKXAA-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129905321 839554601 /nfs/dbraw/zinc/55/46/01/839554601.db2.gz USNIDVYHSPKXAA-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN O=C(c1ccsn1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129906953 839554808 /nfs/dbraw/zinc/55/48/08/839554808.db2.gz JCJHKFIOJRCGDM-OLZOCXBDSA-N 0 3 352.420 -0.601 20 0 FBADHN Cc1cc(COCC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)no1 ZINC001129907026 839554564 /nfs/dbraw/zinc/55/45/64/839554564.db2.gz MSSABQACULPUBW-KGLIPLIRSA-N 0 3 350.379 -0.875 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129907046 839554354 /nfs/dbraw/zinc/55/43/54/839554354.db2.gz OBCGODCIRAZIRL-DVOMOZLQSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129907047 839554578 /nfs/dbraw/zinc/55/45/78/839554578.db2.gz OBCGODCIRAZIRL-WWGRRREGSA-N 0 3 350.423 -0.818 20 0 FBADHN Cc1cc(COCC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)on1 ZINC001129907049 839554222 /nfs/dbraw/zinc/55/42/22/839554222.db2.gz OCPZGWVSUGHROR-KGLIPLIRSA-N 0 3 350.379 -0.875 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910245 839554385 /nfs/dbraw/zinc/55/43/85/839554385.db2.gz KHPRDTHTQGWLQF-MCIONIFRSA-N 0 3 351.455 -0.952 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910302 839554426 /nfs/dbraw/zinc/55/44/26/839554426.db2.gz MTDKJGWMVUHTPG-MCIONIFRSA-N 0 3 351.455 -0.904 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1n1ccnn1 ZINC001129910498 839554091 /nfs/dbraw/zinc/55/40/91/839554091.db2.gz VWCHHASPMAWTFS-NEPJUHHUSA-N 0 3 353.814 -0.033 20 0 FBADHN CO[C@H](C)CN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129912389 839554820 /nfs/dbraw/zinc/55/48/20/839554820.db2.gz CFQFGFCABOLOIH-UPJWGTAASA-N 0 3 359.452 -0.911 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129912390 839554615 /nfs/dbraw/zinc/55/46/15/839554615.db2.gz CFQFGFCABOLOIH-XQQFMLRXSA-N 0 3 359.452 -0.911 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1n1ccnn1 ZINC001129912697 839554403 /nfs/dbraw/zinc/55/44/03/839554403.db2.gz WBYXMQVBQALYHM-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H]1n1ccnn1 ZINC001129912698 839554171 /nfs/dbraw/zinc/55/41/71/839554171.db2.gz WBYXMQVBQALYHM-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129914772 839554770 /nfs/dbraw/zinc/55/47/70/839554770.db2.gz HCKZCVVSYCJONF-OLZOCXBDSA-N 0 3 359.452 -0.909 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129914938 839554665 /nfs/dbraw/zinc/55/46/65/839554665.db2.gz OFSNKMXGQJIJQK-UPJWGTAASA-N 0 3 359.452 -0.911 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129914939 839554641 /nfs/dbraw/zinc/55/46/41/839554641.db2.gz OFSNKMXGQJIJQK-XQQFMLRXSA-N 0 3 359.452 -0.911 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129916784 839555810 /nfs/dbraw/zinc/55/58/10/839555810.db2.gz DTAWYYZPYFJMSW-KGLIPLIRSA-N 0 3 371.463 -0.909 20 0 FBADHN CO[C@H](C)CN[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129917329 839555416 /nfs/dbraw/zinc/55/54/16/839555416.db2.gz QCZTVOZISAKHHS-BNOWGMLFSA-N 0 3 371.463 -0.911 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129917330 839555508 /nfs/dbraw/zinc/55/55/08/839555508.db2.gz QCZTVOZISAKHHS-YUTCNCBUSA-N 0 3 371.463 -0.911 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129917444 839555632 /nfs/dbraw/zinc/55/56/32/839555632.db2.gz SOFVAZSUWLPFLA-UPJWGTAASA-N 0 3 359.452 -0.911 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129917445 839556137 /nfs/dbraw/zinc/55/61/37/839556137.db2.gz SOFVAZSUWLPFLA-XQQFMLRXSA-N 0 3 359.452 -0.911 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129917612 839555954 /nfs/dbraw/zinc/55/59/54/839555954.db2.gz YNHZJRFJKSLPKF-BNOWGMLFSA-N 0 3 371.463 -0.911 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129917613 839555768 /nfs/dbraw/zinc/55/57/68/839555768.db2.gz YNHZJRFJKSLPKF-YUTCNCBUSA-N 0 3 371.463 -0.911 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129918527 839560210 /nfs/dbraw/zinc/56/02/10/839560210.db2.gz CAPVHGVSVVDZEP-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001129918528 839560102 /nfs/dbraw/zinc/56/01/02/839560102.db2.gz CAPVHGVSVVDZEP-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN O=C(CCOC[C@H]1CCCO1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129919215 839559997 /nfs/dbraw/zinc/55/99/97/839559997.db2.gz QLPVMNQRFLKVTJ-KFWWJZLASA-N 0 3 353.423 -0.802 20 0 FBADHN O=C(CCOC[C@@H]1CCCO1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129919216 839559978 /nfs/dbraw/zinc/55/99/78/839559978.db2.gz QLPVMNQRFLKVTJ-ZNMIVQPWSA-N 0 3 353.423 -0.802 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1n1ccnn1 ZINC001129920877 839559961 /nfs/dbraw/zinc/55/99/61/839559961.db2.gz CQHXDKSZPYMTEM-KGLIPLIRSA-N 0 3 350.423 -0.722 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129920886 839559630 /nfs/dbraw/zinc/55/96/30/839559630.db2.gz DAOIOXXPXHWBNZ-AXFHLTTASA-N 0 3 360.365 -0.964 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129920887 839559749 /nfs/dbraw/zinc/55/97/49/839559749.db2.gz DAOIOXXPXHWBNZ-MXWKQRLJSA-N 0 3 360.365 -0.964 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@@H]1n1ccnn1 ZINC001129920892 839560330 /nfs/dbraw/zinc/56/03/30/839560330.db2.gz DIBKIQMLGFDRHN-KGLIPLIRSA-N 0 3 351.386 -0.254 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129920946 839560390 /nfs/dbraw/zinc/56/03/90/839560390.db2.gz HJMKYOCUALTHBY-AXFHLTTASA-N 0 3 360.365 -0.964 20 0 FBADHN CO[C@H](C)CN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129920947 839560181 /nfs/dbraw/zinc/56/01/81/839560181.db2.gz HJMKYOCUALTHBY-MXWKQRLJSA-N 0 3 360.365 -0.964 20 0 FBADHN O=C(N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C1(F)CCCC1 ZINC001129921065 839559717 /nfs/dbraw/zinc/55/97/17/839559717.db2.gz NKQVIJLOBFBGSG-KGLIPLIRSA-N 0 3 355.414 -0.089 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129921126 839559857 /nfs/dbraw/zinc/55/98/57/839559857.db2.gz QULILFCIEVJBKH-NEPJUHHUSA-N 0 3 356.377 -0.033 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1n1ccnn1 ZINC001129921166 839559842 /nfs/dbraw/zinc/55/98/42/839559842.db2.gz TVHQZOJVJFCVCJ-MNOVXSKESA-N 0 3 360.365 -0.963 20 0 FBADHN O=C(CCOCC(F)(F)F)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129923709 839559899 /nfs/dbraw/zinc/55/98/99/839559899.db2.gz RUIRBVWXYNBGHS-MNOVXSKESA-N 0 3 351.329 -0.419 20 0 FBADHN CCOc1nc(C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)co1 ZINC001129923717 839559668 /nfs/dbraw/zinc/55/96/68/839559668.db2.gz SAABQMVXODHECA-YPMHNXCESA-N 0 3 350.379 -0.034 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129926913 839560737 /nfs/dbraw/zinc/56/07/37/839560737.db2.gz HZZFELDTPRGBPE-MCIONIFRSA-N 0 3 371.463 -0.909 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129926914 839561118 /nfs/dbraw/zinc/56/11/18/839561118.db2.gz HZZFELDTPRGBPE-MJBXVCDLSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129927120 839561191 /nfs/dbraw/zinc/56/11/91/839561191.db2.gz NKQNAWFLAATWNH-OLZOCXBDSA-N 0 3 353.427 -0.895 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129927134 839560944 /nfs/dbraw/zinc/56/09/44/839560944.db2.gz NZTYXGHVHKINPH-MCIONIFRSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129927135 839561355 /nfs/dbraw/zinc/56/13/55/839561355.db2.gz NZTYXGHVHKINPH-MJBXVCDLSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129927265 839561284 /nfs/dbraw/zinc/56/12/84/839561284.db2.gz SIYAVGXCAOIDMM-MCIONIFRSA-N 0 3 350.423 -0.675 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129927266 839560983 /nfs/dbraw/zinc/56/09/83/839560983.db2.gz SIYAVGXCAOIDMM-MJBXVCDLSA-N 0 3 350.423 -0.675 20 0 FBADHN Cc1cnc(COCC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)o1 ZINC001129928860 839561024 /nfs/dbraw/zinc/56/10/24/839561024.db2.gz QMQUEQGVFQOGNU-OLZOCXBDSA-N 0 3 350.379 -0.875 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001129928905 839561470 /nfs/dbraw/zinc/56/14/70/839561470.db2.gz UMWINNWNZCIPDP-NEPJUHHUSA-N 0 3 351.436 -0.006 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@@H]1n1ccnn1 ZINC001129928974 839561213 /nfs/dbraw/zinc/56/12/13/839561213.db2.gz XSWDGQGWRHHLER-NEPJUHHUSA-N 0 3 353.814 -0.033 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@@H]1n1ccnn1 ZINC001129931971 839557067 /nfs/dbraw/zinc/55/70/67/839557067.db2.gz HKLCCBSLRAZTMV-PWSUYJOCSA-N 0 3 353.814 -0.033 20 0 FBADHN COCC(C)(C)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129934247 839558996 /nfs/dbraw/zinc/55/89/96/839558996.db2.gz WFNLTGCVEMVZDK-KGLIPLIRSA-N 0 3 355.439 -0.699 20 0 FBADHN O=C(CCC(F)F)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129936700 839558639 /nfs/dbraw/zinc/55/86/39/839558639.db2.gz KZBUKHLAIDAQII-NEPJUHHUSA-N 0 3 354.365 -0.043 20 0 FBADHN O=C(c1cc(F)c[nH]1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129936760 839558368 /nfs/dbraw/zinc/55/83/68/839558368.db2.gz NQRKRJZLHQCMHG-KGLIPLIRSA-N 0 3 352.370 -0.591 20 0 FBADHN CCOc1cc(C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)on1 ZINC001129936894 839558296 /nfs/dbraw/zinc/55/82/96/839558296.db2.gz VVBSVSZVNDADCV-NEPJUHHUSA-N 0 3 350.379 -0.034 20 0 FBADHN C[C@H](CC(F)F)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129939486 839558737 /nfs/dbraw/zinc/55/87/37/839558737.db2.gz GPWPJDYOUDNDDG-UPJWGTAASA-N 0 3 361.393 -0.080 20 0 FBADHN C[C@@H](CC(F)F)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129939487 839558308 /nfs/dbraw/zinc/55/83/08/839558308.db2.gz GPWPJDYOUDNDDG-XQQFMLRXSA-N 0 3 361.393 -0.080 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129941157 839558603 /nfs/dbraw/zinc/55/86/03/839558603.db2.gz LVARFYOJAIWBKY-DVOMOZLQSA-N 0 3 350.423 -0.818 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001129941158 839558790 /nfs/dbraw/zinc/55/87/90/839558790.db2.gz LVARFYOJAIWBKY-WWGRRREGSA-N 0 3 350.423 -0.818 20 0 FBADHN COCC1(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001129943127 839558261 /nfs/dbraw/zinc/55/82/61/839558261.db2.gz NQDRIDSZAKFCAN-KGLIPLIRSA-N 0 3 353.423 -0.945 20 0 FBADHN O=C(N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C1(CCF)CC1 ZINC001129945193 839563846 /nfs/dbraw/zinc/56/38/46/839563846.db2.gz FKWYVBYAAZMCKF-KGLIPLIRSA-N 0 3 355.414 -0.232 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@]2(COC)CCOC2)C[C@@H]1n1ccnn1 ZINC001129945275 839563560 /nfs/dbraw/zinc/56/35/60/839563560.db2.gz HEPFLWRYFUFINP-IJEWVQPXSA-N 0 3 353.423 -0.681 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@]2(COC)CCOC2)C[C@@H]1n1ccnn1 ZINC001129945278 839563647 /nfs/dbraw/zinc/56/36/47/839563647.db2.gz HEPFLWRYFUFINP-YCPHGPKFSA-N 0 3 353.423 -0.681 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@@H]1n1ccnn1 ZINC001129947637 839564822 /nfs/dbraw/zinc/56/48/22/839564822.db2.gz KKABXECHXNLGIH-MCIONIFRSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@@H]1n1ccnn1 ZINC001129947638 839564616 /nfs/dbraw/zinc/56/46/16/839564616.db2.gz KKABXECHXNLGIH-MJBXVCDLSA-N 0 3 350.423 -0.818 20 0 FBADHN CC(C)(COCC(F)F)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129947884 839565572 /nfs/dbraw/zinc/56/55/72/839565572.db2.gz SLPNNBJDWHOZKU-NEPJUHHUSA-N 0 3 361.393 -0.080 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1n1ccnn1 ZINC001129948912 839560805 /nfs/dbraw/zinc/56/08/05/839560805.db2.gz GFXBNFQRVMHTNO-NEPJUHHUSA-N 0 3 368.419 -0.644 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@@H]1n1ccnn1 ZINC001129949079 839561436 /nfs/dbraw/zinc/56/14/36/839561436.db2.gz NXEDSRNHGRFPOC-YPMHNXCESA-N 0 3 350.379 -0.034 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1n1ccnn1 ZINC001129949210 839560913 /nfs/dbraw/zinc/56/09/13/839560913.db2.gz VAJCDPUZSINHMR-OLZOCXBDSA-N 0 3 350.379 -0.416 20 0 FBADHN COCCOCCN[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 ZINC001129949240 839562192 /nfs/dbraw/zinc/56/21/92/839562192.db2.gz WLYCKMZAQOCMCB-YPMHNXCESA-N 0 3 367.435 -0.552 20 0 FBADHN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129951964 839562312 /nfs/dbraw/zinc/56/23/12/839562312.db2.gz DAOWLVZHUVIJDZ-UPJWGTAASA-N 0 3 352.439 -0.837 20 0 FBADHN C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129951965 839562273 /nfs/dbraw/zinc/56/22/73/839562273.db2.gz DAOWLVZHUVIJDZ-XQQFMLRXSA-N 0 3 352.439 -0.837 20 0 FBADHN CC(C)(C)C(=O)NCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129952398 839562124 /nfs/dbraw/zinc/56/21/24/839562124.db2.gz RQONDTYVQRBOQN-OLZOCXBDSA-N 0 3 352.439 -0.836 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129954280 839562016 /nfs/dbraw/zinc/56/20/16/839562016.db2.gz GEFWRCRBYQQLOI-MCIONIFRSA-N 0 3 350.423 -0.819 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129954281 839562293 /nfs/dbraw/zinc/56/22/93/839562293.db2.gz GEFWRCRBYQQLOI-MJBXVCDLSA-N 0 3 350.423 -0.819 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129954580 839562564 /nfs/dbraw/zinc/56/25/64/839562564.db2.gz VAPVDCGRMWDHHQ-MCIONIFRSA-N 0 3 350.423 -0.723 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129954581 839562342 /nfs/dbraw/zinc/56/23/42/839562342.db2.gz VAPVDCGRMWDHHQ-MJBXVCDLSA-N 0 3 350.423 -0.723 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129954660 839561915 /nfs/dbraw/zinc/56/19/15/839561915.db2.gz YTHPEHBWDBRYOX-MCIONIFRSA-N 0 3 371.463 -0.767 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001129954661 839562032 /nfs/dbraw/zinc/56/20/32/839562032.db2.gz YTHPEHBWDBRYOX-MJBXVCDLSA-N 0 3 371.463 -0.767 20 0 FBADHN CCC[C@H](OC)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129956267 839562392 /nfs/dbraw/zinc/56/23/92/839562392.db2.gz BAMMMBZGNPPYPT-ILXRZTDVSA-N 0 3 355.439 -0.556 20 0 FBADHN CCC[C@@H](OC)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129956268 839562767 /nfs/dbraw/zinc/56/27/67/839562767.db2.gz BAMMMBZGNPPYPT-QLFBSQMISA-N 0 3 355.439 -0.556 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129956603 839562140 /nfs/dbraw/zinc/56/21/40/839562140.db2.gz LEFQLDDQYACKRS-MCIONIFRSA-N 0 3 352.439 -0.444 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129956604 839562474 /nfs/dbraw/zinc/56/24/74/839562474.db2.gz LEFQLDDQYACKRS-MJBXVCDLSA-N 0 3 352.439 -0.444 20 0 FBADHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129956959 839562148 /nfs/dbraw/zinc/56/21/48/839562148.db2.gz QCVKNUHUDPCBCP-SYQHCUMBSA-N 0 3 355.464 -0.290 20 0 FBADHN O=C([C@H]1CCNC1=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129957014 839561939 /nfs/dbraw/zinc/56/19/39/839561939.db2.gz RXYXWVKDDYTREL-AXFHLTTASA-N 0 3 360.340 -0.292 20 0 FBADHN O=C([C@@H]1CCNC1=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129957015 839562621 /nfs/dbraw/zinc/56/26/21/839562621.db2.gz RXYXWVKDDYTREL-MXWKQRLJSA-N 0 3 360.340 -0.292 20 0 FBADHN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129959302 839564104 /nfs/dbraw/zinc/56/41/04/839564104.db2.gz QCVKNUHUDPCBCP-FQUUOJAGSA-N 0 3 355.464 -0.290 20 0 FBADHN O=C(CCCF)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129961217 839563362 /nfs/dbraw/zinc/56/33/62/839563362.db2.gz DGIYLNHYPMZRRF-OLZOCXBDSA-N 0 3 353.402 -0.606 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)CCCF)C[C@@H]1n1ccnn1 ZINC001129961353 839563594 /nfs/dbraw/zinc/56/35/94/839563594.db2.gz JULOAIFWWIHLNH-OLZOCXBDSA-N 0 3 361.443 -0.196 20 0 FBADHN O=C(CCCF)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129961799 839564033 /nfs/dbraw/zinc/56/40/33/839564033.db2.gz YKDKYRLZXUSJBW-KGLIPLIRSA-N 0 3 352.414 -0.008 20 0 FBADHN O=C(CCCF)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129961815 839563886 /nfs/dbraw/zinc/56/38/86/839563886.db2.gz ZDMMKEOFPPYISM-KGLIPLIRSA-N 0 3 352.414 -0.105 20 0 FBADHN Cn1nnc(C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)n1 ZINC001129963774 839563472 /nfs/dbraw/zinc/56/34/72/839563472.db2.gz DOVTXALPNVLWSG-BDAKNGLRSA-N 0 3 359.316 -0.591 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129964140 839563636 /nfs/dbraw/zinc/56/36/36/839563636.db2.gz YJXSEQLKERXSSJ-RDBSUJKOSA-N 0 3 350.423 -0.723 20 0 FBADHN CC[C@@H](F)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129966139 839565283 /nfs/dbraw/zinc/56/52/83/839565283.db2.gz DWGVNHGOCQBZCC-MCIONIFRSA-N 0 3 352.414 -0.106 20 0 FBADHN CC[C@H](F)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129966140 839564697 /nfs/dbraw/zinc/56/46/97/839564697.db2.gz DWGVNHGOCQBZCC-MJBXVCDLSA-N 0 3 352.414 -0.106 20 0 FBADHN CC[C@@H](F)C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129966715 839565261 /nfs/dbraw/zinc/56/52/61/839565261.db2.gz ZWUGBFWWLLRPAZ-UPJWGTAASA-N 0 3 361.443 -0.198 20 0 FBADHN CC[C@H](F)C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129966716 839564962 /nfs/dbraw/zinc/56/49/62/839564962.db2.gz ZWUGBFWWLLRPAZ-XQQFMLRXSA-N 0 3 361.443 -0.198 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C(F)(F)F ZINC001129969519 839565480 /nfs/dbraw/zinc/56/54/80/839565480.db2.gz XFEIOBIKTKIOIS-TUAOUCFPSA-N 0 3 365.356 -0.173 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C(F)(F)F ZINC001129969520 839564737 /nfs/dbraw/zinc/56/47/37/839564737.db2.gz XFEIOBIKTKIOIS-UTUOFQBUSA-N 0 3 365.356 -0.173 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129970212 839565050 /nfs/dbraw/zinc/56/50/50/839565050.db2.gz DDCWYQDTAXGODG-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 ZINC001129970213 839565489 /nfs/dbraw/zinc/56/54/89/839565489.db2.gz DDCWYQDTAXGODG-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN Cc1nc(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)cs1 ZINC001129976483 839566251 /nfs/dbraw/zinc/56/62/51/839566251.db2.gz OHNHRCGZESYSDR-OCCSQVGLSA-N 0 3 366.447 -0.293 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N(C)CC(F)(F)F ZINC001129976599 839566736 /nfs/dbraw/zinc/56/67/36/839566736.db2.gz RWWBAEKPMSNGRL-TUAOUCFPSA-N 0 3 364.372 -0.506 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)N(C)CC(F)(F)F ZINC001129976600 839566519 /nfs/dbraw/zinc/56/65/19/839566519.db2.gz RWWBAEKPMSNGRL-UTUOFQBUSA-N 0 3 364.372 -0.506 20 0 FBADHN O=C(c1csc(=O)[nH]1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129977850 839566800 /nfs/dbraw/zinc/56/68/00/839566800.db2.gz IABRDSJNYIIFNM-PWSUYJOCSA-N 0 3 368.419 -0.896 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001129980873 839566593 /nfs/dbraw/zinc/56/65/93/839566593.db2.gz YJXSEQLKERXSSJ-MCIONIFRSA-N 0 3 350.423 -0.723 20 0 FBADHN O=C([C@@H]1CNC(=O)N1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129983173 839566991 /nfs/dbraw/zinc/56/69/91/839566991.db2.gz QFNXNTOJVHMGGA-AEJSXWLSSA-N 0 3 361.328 -0.747 20 0 FBADHN O=C([C@H]1CNC(=O)N1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129983174 839566373 /nfs/dbraw/zinc/56/63/73/839566373.db2.gz QFNXNTOJVHMGGA-BBBLOLIVSA-N 0 3 361.328 -0.747 20 0 FBADHN NC(=O)C1(C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)CC1 ZINC001129984850 839566164 /nfs/dbraw/zinc/56/61/64/839566164.db2.gz FBXNAGRGJLLUGU-ZJUUUORDSA-N 0 3 360.340 -0.163 20 0 FBADHN CO[C@H](CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C1CCCC1 ZINC001129985484 839569225 /nfs/dbraw/zinc/56/92/25/839569225.db2.gz YVEUFNSKMSIMHO-HZSPNIEDSA-N 0 3 350.423 -0.690 20 0 FBADHN CO[C@@H](CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1)C1CCCC1 ZINC001129985485 839569170 /nfs/dbraw/zinc/56/91/70/839569170.db2.gz YVEUFNSKMSIMHO-RDBSUJKOSA-N 0 3 350.423 -0.690 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC001129986515 839568924 /nfs/dbraw/zinc/56/89/24/839568924.db2.gz DJIGUVCHKVULKE-OLZOCXBDSA-N 0 3 350.423 -0.690 20 0 FBADHN Cc1nocc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129988000 839569078 /nfs/dbraw/zinc/56/90/78/839569078.db2.gz CUYVHPYKGLVRKA-KGLIPLIRSA-N 0 3 350.379 -0.761 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129988068 839568915 /nfs/dbraw/zinc/56/89/15/839568915.db2.gz HDIWBNLMSNSCRE-KGLIPLIRSA-N 0 3 370.479 -0.346 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129995709 839568099 /nfs/dbraw/zinc/56/80/99/839568099.db2.gz FAUWGXALOIWUDM-WWGRRREGSA-N 0 3 350.423 -0.675 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C(F)F ZINC001129997337 839567439 /nfs/dbraw/zinc/56/74/39/839567439.db2.gz IVMNAKSCIIKLFM-NEPJUHHUSA-N 0 3 361.393 -0.080 20 0 FBADHN O=C(c1ccc(Cl)[nH]1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130000726 839567885 /nfs/dbraw/zinc/56/78/85/839567885.db2.gz LMHGZKIZMRCUOR-OLZOCXBDSA-N 0 3 368.825 -0.076 20 0 FBADHN CO[C@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130002612 839568463 /nfs/dbraw/zinc/56/84/63/839568463.db2.gz KGHDCQLZPWFPRE-ILXRZTDVSA-N 0 3 355.439 -0.701 20 0 FBADHN CO[C@@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130002613 839568860 /nfs/dbraw/zinc/56/88/60/839568860.db2.gz KGHDCQLZPWFPRE-QLFBSQMISA-N 0 3 355.439 -0.701 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130002903 839568819 /nfs/dbraw/zinc/56/88/19/839568819.db2.gz VWAUMWXZKZHXKJ-ILXRZTDVSA-N 0 3 355.439 -0.294 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130002904 839568379 /nfs/dbraw/zinc/56/83/79/839568379.db2.gz VWAUMWXZKZHXKJ-QLFBSQMISA-N 0 3 355.439 -0.294 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001130005858 839571586 /nfs/dbraw/zinc/57/15/86/839571586.db2.gz JZEWOGLSJMUIEI-DVOMOZLQSA-N 0 3 350.423 -0.818 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001130005859 839571561 /nfs/dbraw/zinc/57/15/61/839571561.db2.gz JZEWOGLSJMUIEI-WWGRRREGSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130005878 839571324 /nfs/dbraw/zinc/57/13/24/839571324.db2.gz KQFZXRHQZGKRFY-MCIONIFRSA-N 0 3 350.423 -0.675 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130005879 839571182 /nfs/dbraw/zinc/57/11/82/839571182.db2.gz KQFZXRHQZGKRFY-MJBXVCDLSA-N 0 3 350.423 -0.675 20 0 FBADHN COCCN[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@@H]1n1ccnn1 ZINC001130006251 839571840 /nfs/dbraw/zinc/57/18/40/839571840.db2.gz ZJHVYLRAQGJHBC-OLZOCXBDSA-N 0 3 367.841 -0.104 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007387 839571408 /nfs/dbraw/zinc/57/14/08/839571408.db2.gz KHPRDTHTQGWLQF-RDBSUJKOSA-N 0 3 351.455 -0.952 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001130007602 839571631 /nfs/dbraw/zinc/57/16/31/839571631.db2.gz MTDKJGWMVUHTPG-RDBSUJKOSA-N 0 3 351.455 -0.904 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007621 839571494 /nfs/dbraw/zinc/57/14/94/839571494.db2.gz NQJSVAMBIYTUGD-RQJABVFESA-N 0 3 350.423 -0.834 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130007658 839571209 /nfs/dbraw/zinc/57/12/09/839571209.db2.gz PGTZTMZLTFIOFE-YTWAJWBKSA-N 0 3 360.340 -0.307 20 0 FBADHN O=C(N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C1(CF)CCC1 ZINC001130009549 839573194 /nfs/dbraw/zinc/57/31/94/839573194.db2.gz VHCRTYSYECWONQ-KGLIPLIRSA-N 0 3 355.414 -0.232 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C(C)(F)F ZINC001130009555 839573204 /nfs/dbraw/zinc/57/32/04/839573204.db2.gz VOXYIVDWNLWQGT-UPJWGTAASA-N 0 3 361.393 -0.080 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1)C(C)(F)F ZINC001130009556 839572223 /nfs/dbraw/zinc/57/22/23/839572223.db2.gz VOXYIVDWNLWQGT-XQQFMLRXSA-N 0 3 361.393 -0.080 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001130009574 839573052 /nfs/dbraw/zinc/57/30/52/839573052.db2.gz WLKDZFKPLHYTGN-RQJABVFESA-N 0 3 350.423 -0.832 20 0 FBADHN CN(CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130012214 839570546 /nfs/dbraw/zinc/57/05/46/839570546.db2.gz VLTJPFBAGWGQKW-OLZOCXBDSA-N 0 3 351.455 -0.917 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)O1 ZINC001130014595 839570150 /nfs/dbraw/zinc/57/01/50/839570150.db2.gz UZKZHBFZAOVPKA-APIJFGDWSA-N 0 3 353.423 -0.804 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130015254 839570379 /nfs/dbraw/zinc/57/03/79/839570379.db2.gz OHMOKSFATSVJND-KBXIAJHMSA-N 0 3 353.423 -0.947 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@@H]1n1ccnn1 ZINC001130017285 839569872 /nfs/dbraw/zinc/56/98/72/839569872.db2.gz AJAZLXGHFSIPNR-MCIONIFRSA-N 0 3 367.475 -0.146 20 0 FBADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@@H]1n1ccnn1 ZINC001130017286 839570126 /nfs/dbraw/zinc/57/01/26/839570126.db2.gz AJAZLXGHFSIPNR-MJBXVCDLSA-N 0 3 367.475 -0.146 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020318 839570570 /nfs/dbraw/zinc/57/05/70/839570570.db2.gz AFCOTWIZELAAMT-MCIONIFRSA-N 0 3 370.479 -0.477 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130020319 839570638 /nfs/dbraw/zinc/57/06/38/839570638.db2.gz AFCOTWIZELAAMT-MJBXVCDLSA-N 0 3 370.479 -0.477 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]1n1ccnn1 ZINC001130020369 839570275 /nfs/dbraw/zinc/57/02/75/839570275.db2.gz CNASZZBGCMEBQC-KFWWJZLASA-N 0 3 352.439 -0.429 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@@H]1n1ccnn1 ZINC001130020370 839570004 /nfs/dbraw/zinc/57/00/04/839570004.db2.gz CNASZZBGCMEBQC-ZNMIVQPWSA-N 0 3 352.439 -0.429 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1n1ccnn1 ZINC001130023869 839570045 /nfs/dbraw/zinc/57/00/45/839570045.db2.gz BWKHUPCLKMQHBE-KGLIPLIRSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001130024193 839572669 /nfs/dbraw/zinc/57/26/69/839572669.db2.gz MQHGCEKWYQGIDO-MCIONIFRSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001130024194 839572757 /nfs/dbraw/zinc/57/27/57/839572757.db2.gz MQHGCEKWYQGIDO-MJBXVCDLSA-N 0 3 371.463 -0.909 20 0 FBADHN COCCN[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1n1ccnn1 ZINC001130024361 839572294 /nfs/dbraw/zinc/57/22/94/839572294.db2.gz RWSUDCAAKJBNEL-OLZOCXBDSA-N 0 3 353.814 -0.184 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130026477 839572627 /nfs/dbraw/zinc/57/26/27/839572627.db2.gz RERYJHZXUVWLEQ-NEPJUHHUSA-N 0 3 359.452 -0.911 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001130026638 839572731 /nfs/dbraw/zinc/57/27/31/839572731.db2.gz XDCHVUHHXQVVJX-KFWWJZLASA-N 0 3 353.423 -0.681 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001130026639 839572365 /nfs/dbraw/zinc/57/23/65/839572365.db2.gz XDCHVUHHXQVVJX-ZNMIVQPWSA-N 0 3 353.423 -0.681 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130026644 839572466 /nfs/dbraw/zinc/57/24/66/839572466.db2.gz XFBVOFMPURMNTR-CABCVRRESA-N 0 3 353.423 -0.538 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@@H]1n1ccnn1 ZINC001130028060 839572272 /nfs/dbraw/zinc/57/22/72/839572272.db2.gz GSQVVTZJARNHKU-KFWWJZLASA-N 0 3 355.439 -0.292 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@@H]1n1ccnn1 ZINC001130028062 839572415 /nfs/dbraw/zinc/57/24/15/839572415.db2.gz GSQVVTZJARNHKU-ZNMIVQPWSA-N 0 3 355.439 -0.292 20 0 FBADHN O=C(Cc1cscn1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130028181 839572950 /nfs/dbraw/zinc/57/29/50/839572950.db2.gz JSCWYXGZSNWHRO-KGLIPLIRSA-N 0 3 366.447 -0.672 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130030951 839574415 /nfs/dbraw/zinc/57/44/15/839574415.db2.gz ZVVXDCFIQFHZOX-KGLIPLIRSA-N 0 3 352.439 -0.477 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cc(COC)on2)C[C@@H]1n1ccnn1 ZINC001130033739 839574446 /nfs/dbraw/zinc/57/44/46/839574446.db2.gz CKQIJSXFBIJIJR-KGLIPLIRSA-N 0 3 350.379 -0.286 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001130037930 839574131 /nfs/dbraw/zinc/57/41/31/839574131.db2.gz CLHQOVUFGSJVKZ-KGLIPLIRSA-N 0 3 352.439 -0.572 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1n1ccnn1 ZINC001130038136 839574155 /nfs/dbraw/zinc/57/41/55/839574155.db2.gz NSIPDIMGVXKHQG-MNOVXSKESA-N 0 3 364.431 -0.260 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130038332 839573815 /nfs/dbraw/zinc/57/38/15/839573815.db2.gz YEMWXVQNFSBHOK-IPYPFGDCSA-N 0 3 371.463 -0.767 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130038333 839573836 /nfs/dbraw/zinc/57/38/36/839573836.db2.gz YEMWXVQNFSBHOK-VNHYZAJKSA-N 0 3 371.463 -0.767 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130040656 839573111 /nfs/dbraw/zinc/57/31/11/839573111.db2.gz FQANNAYHSZOWDV-MCIONIFRSA-N 0 3 350.423 -0.675 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130040657 839572800 /nfs/dbraw/zinc/57/28/00/839572800.db2.gz FQANNAYHSZOWDV-MJBXVCDLSA-N 0 3 350.423 -0.675 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@@H]1n1ccnn1 ZINC001130044049 839575215 /nfs/dbraw/zinc/57/52/15/839575215.db2.gz NMZCTVKMKQVSOH-KGLIPLIRSA-N 0 3 352.439 -0.429 20 0 FBADHN CC(C)CCC(=O)NCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130044076 839574747 /nfs/dbraw/zinc/57/47/47/839574747.db2.gz OVPDOHOUBOFBBD-KGLIPLIRSA-N 0 3 352.439 -0.836 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1n1ccnn1 ZINC001130044085 839575539 /nfs/dbraw/zinc/57/55/39/839575539.db2.gz PJNKJWRQPKFHBU-OLZOCXBDSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001130045829 839575510 /nfs/dbraw/zinc/57/55/10/839575510.db2.gz BRIYLABNOUNPBR-OLZOCXBDSA-N 0 3 359.452 -0.909 20 0 FBADHN CC(=O)NC1(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)CCCC1 ZINC001130046759 839574930 /nfs/dbraw/zinc/57/49/30/839574930.db2.gz RFHMANUZIBJIPV-KGLIPLIRSA-N 0 3 350.423 -0.939 20 0 FBADHN O=C(c1cnon1)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001130047722 839575384 /nfs/dbraw/zinc/57/53/84/839575384.db2.gz PHRCPRQMWVDWOP-MNOVXSKESA-N 0 3 357.321 -0.402 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047766 839574672 /nfs/dbraw/zinc/57/46/72/839574672.db2.gz RRPRYYIGVMUQFG-KGLIPLIRSA-N 0 3 351.455 -0.903 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130047771 839575245 /nfs/dbraw/zinc/57/52/45/839575245.db2.gz SADGIXMMNJWFBX-KGLIPLIRSA-N 0 3 351.455 -0.950 20 0 FBADHN O=C(c1nccs1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130050215 839575173 /nfs/dbraw/zinc/57/51/73/839575173.db2.gz OEXGYNFFJKKMSS-NEPJUHHUSA-N 0 3 352.420 -0.601 20 0 FBADHN O=C(c1nc[nH]n1)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001130050454 839574899 /nfs/dbraw/zinc/57/48/99/839574899.db2.gz ZMERPAQGYOHIRZ-ZJUUUORDSA-N 0 3 356.337 -0.667 20 0 FBADHN C[C@@]1(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)CCOC1 ZINC001130057043 839574997 /nfs/dbraw/zinc/57/49/97/839574997.db2.gz GEEKVRIXJFRHOV-IJEWVQPXSA-N 0 3 353.423 -0.945 20 0 FBADHN C[C@]1(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)CCOC1 ZINC001130057044 839575329 /nfs/dbraw/zinc/57/53/29/839575329.db2.gz GEEKVRIXJFRHOV-YCPHGPKFSA-N 0 3 353.423 -0.945 20 0 FBADHN CO[C@H](C)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130062504 839576461 /nfs/dbraw/zinc/57/64/61/839576461.db2.gz IRTMBJSHWKQWRW-BNOWGMLFSA-N 0 3 350.423 -0.819 20 0 FBADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130062505 839576271 /nfs/dbraw/zinc/57/62/71/839576271.db2.gz IRTMBJSHWKQWRW-YUTCNCBUSA-N 0 3 350.423 -0.819 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130062562 839575830 /nfs/dbraw/zinc/57/58/30/839575830.db2.gz LQFHFRXNZATBKI-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130062632 839576370 /nfs/dbraw/zinc/57/63/70/839576370.db2.gz OPAINVMVYAGSLL-BNOWGMLFSA-N 0 3 350.423 -0.819 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130062633 839576411 /nfs/dbraw/zinc/57/64/11/839576411.db2.gz OPAINVMVYAGSLL-YUTCNCBUSA-N 0 3 350.423 -0.819 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2coc(COC)n2)C[C@@H]1n1ccnn1 ZINC001130062714 839576682 /nfs/dbraw/zinc/57/66/82/839576682.db2.gz SVXKOBPQPGOYBJ-YPMHNXCESA-N 0 3 350.379 -0.286 20 0 FBADHN COC[C@H](C)CC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130066952 839576292 /nfs/dbraw/zinc/57/62/92/839576292.db2.gz QDONPQNWHOVPNJ-KFWWJZLASA-N 0 3 355.439 -0.699 20 0 FBADHN COC[C@@H](C)CC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130066953 839576234 /nfs/dbraw/zinc/57/62/34/839576234.db2.gz QDONPQNWHOVPNJ-ZNMIVQPWSA-N 0 3 355.439 -0.699 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H]1n1ccnn1 ZINC001130067101 839575809 /nfs/dbraw/zinc/57/58/09/839575809.db2.gz UQPPENRYVPPEKQ-OLZOCXBDSA-N 0 3 371.463 -0.767 20 0 FBADHN Cc1conc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130074944 839578012 /nfs/dbraw/zinc/57/80/12/839578012.db2.gz JTTRGIOUXJPARP-OLZOCXBDSA-N 0 3 350.379 -0.761 20 0 FBADHN Cc1cnoc1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130075629 839579022 /nfs/dbraw/zinc/57/90/22/839579022.db2.gz XVEJTTQWPASHCR-OLZOCXBDSA-N 0 3 350.379 -0.761 20 0 FBADHN CO[C@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)C(F)(F)F ZINC001130077496 839578808 /nfs/dbraw/zinc/57/88/08/839578808.db2.gz LELGTHLLZXVVSC-OUAUKWLOSA-N 0 3 351.329 -0.421 20 0 FBADHN CO[C@@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)C(F)(F)F ZINC001130077497 839578904 /nfs/dbraw/zinc/57/89/04/839578904.db2.gz LELGTHLLZXVVSC-VWYCJHECSA-N 0 3 351.329 -0.421 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130079261 839578684 /nfs/dbraw/zinc/57/86/84/839578684.db2.gz AUHQLLPPZRZOJE-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130079262 839578729 /nfs/dbraw/zinc/57/87/29/839578729.db2.gz AUHQLLPPZRZOJE-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN COCCCOCCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130079413 839578450 /nfs/dbraw/zinc/57/84/50/839578450.db2.gz IXQZBKLCZZFDOH-CABCVRRESA-N 0 3 355.439 -0.291 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1n1ccnn1 ZINC001130079559 839579106 /nfs/dbraw/zinc/57/91/06/839579106.db2.gz PCOKWJWFSWBBID-KGLIPLIRSA-N 0 3 352.439 -0.298 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)COCCCOC)C[C@@H]1n1ccnn1 ZINC001130079571 839578300 /nfs/dbraw/zinc/57/83/00/839578300.db2.gz PKLPXMSLRRHPJV-CABCVRRESA-N 0 3 355.439 -0.291 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@@H]1n1ccnn1 ZINC001130081264 839577630 /nfs/dbraw/zinc/57/76/30/839577630.db2.gz GEQSBRYIUOLKOH-NEPJUHHUSA-N 0 3 353.814 -0.033 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2conc2COC)C[C@@H]1n1ccnn1 ZINC001130081458 839577987 /nfs/dbraw/zinc/57/79/87/839577987.db2.gz PUHNIKCEKZBGFG-OCCSQVGLSA-N 0 3 350.379 -0.286 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@@H]1n1ccnn1 ZINC001130081499 839577165 /nfs/dbraw/zinc/57/71/65/839577165.db2.gz RRXYTRQHLFWOTQ-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN O=C(CCOC1CCOCC1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130081581 839577891 /nfs/dbraw/zinc/57/78/91/839577891.db2.gz WTSWLHTUBJTOEL-CABCVRRESA-N 0 3 353.423 -0.802 20 0 FBADHN COCCN[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001130083711 839577773 /nfs/dbraw/zinc/57/77/73/839577773.db2.gz GJWHFPKUVOVOKJ-OLZOCXBDSA-N 0 3 350.423 -0.866 20 0 FBADHN O=C(Cc1nnc[nH]1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130083990 839577458 /nfs/dbraw/zinc/57/74/58/839577458.db2.gz SUTJMCCYXZHJQR-ZJUUUORDSA-N 0 3 358.328 -0.067 20 0 FBADHN CCCNC(=O)CCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130088738 839578325 /nfs/dbraw/zinc/57/83/25/839578325.db2.gz GSNJJDVSFVJAKR-KGLIPLIRSA-N 0 3 352.439 -0.692 20 0 FBADHN CCOCCOCCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130088997 839578824 /nfs/dbraw/zinc/57/88/24/839578824.db2.gz TYMSRKAAFGWXIL-CABCVRRESA-N 0 3 355.439 -0.555 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130089013 839578635 /nfs/dbraw/zinc/57/86/35/839578635.db2.gz UPIJFYCVPCWIAL-KGLIPLIRSA-N 0 3 352.439 -0.476 20 0 FBADHN CCNC(=O)CCCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130091123 839578554 /nfs/dbraw/zinc/57/85/54/839578554.db2.gz BKSSJGDILIKTFP-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CCCNC(=O)CCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130091258 839579488 /nfs/dbraw/zinc/57/94/88/839579488.db2.gz INXXWGPRCDGVIM-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001130091270 839580012 /nfs/dbraw/zinc/58/00/12/839580012.db2.gz JAUAQCPDTKUSKF-MJBXVCDLSA-N 0 3 350.423 -0.677 20 0 FBADHN CC(C)NC(=O)CCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130091316 839580197 /nfs/dbraw/zinc/58/01/97/839580197.db2.gz LIGGTFLMOIWYIL-KGLIPLIRSA-N 0 3 352.439 -0.693 20 0 FBADHN O=C([C@@H]1CCC(=O)N1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130091421 839580166 /nfs/dbraw/zinc/58/01/66/839580166.db2.gz RSSIZZRKBYCWED-AXFHLTTASA-N 0 3 360.340 -0.149 20 0 FBADHN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130094184 839580044 /nfs/dbraw/zinc/58/00/44/839580044.db2.gz FSELJCPMDYLTOP-ZNMIVQPWSA-N 0 3 352.439 -0.837 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001130094418 839579457 /nfs/dbraw/zinc/57/94/57/839579457.db2.gz KBQQUCOSSURZID-QLFBSQMISA-N 0 3 352.439 -0.573 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@@H]1n1ccnn1 ZINC001130095027 839579863 /nfs/dbraw/zinc/57/98/63/839579863.db2.gz XSHVPVFBRUCJJX-ILXRZTDVSA-N 0 3 350.423 -0.723 20 0 FBADHN O=C(c1cc(Cl)no1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130096182 839579534 /nfs/dbraw/zinc/57/95/34/839579534.db2.gz AAHGTXAMTHOFIA-MNOVXSKESA-N 0 3 370.797 -0.416 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CCC1 ZINC001130096480 839579433 /nfs/dbraw/zinc/57/94/33/839579433.db2.gz IAAWTGYZOODVGD-OLZOCXBDSA-N 0 3 350.423 -0.818 20 0 FBADHN CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130099396 839580091 /nfs/dbraw/zinc/58/00/91/839580091.db2.gz FSELJCPMDYLTOP-KFWWJZLASA-N 0 3 352.439 -0.837 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@@H]1n1ccnn1 ZINC001130105267 839581480 /nfs/dbraw/zinc/58/14/80/839581480.db2.gz SYJHUDCOTCHSQH-NEPJUHHUSA-N 0 3 351.386 -0.239 20 0 FBADHN CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130107172 839580914 /nfs/dbraw/zinc/58/09/14/839580914.db2.gz HHHCDNXLQUWRHK-UPJWGTAASA-N 0 3 353.427 -0.897 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001130107568 839581166 /nfs/dbraw/zinc/58/11/66/839581166.db2.gz RDVYANPQZWMSKJ-MCIONIFRSA-N 0 3 350.423 -0.723 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@@H]1n1ccnn1 ZINC001130107569 839581186 /nfs/dbraw/zinc/58/11/86/839581186.db2.gz RDVYANPQZWMSKJ-RDBSUJKOSA-N 0 3 350.423 -0.723 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130107635 839581398 /nfs/dbraw/zinc/58/13/98/839581398.db2.gz SXIMTWGDJDXHOE-KGLIPLIRSA-N 0 3 370.479 -0.523 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NCC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130107707 839580825 /nfs/dbraw/zinc/58/08/25/839580825.db2.gz WYTBFQUMABWLCZ-KGLIPLIRSA-N 0 3 351.455 -0.950 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NCC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001130107749 839581374 /nfs/dbraw/zinc/58/13/74/839581374.db2.gz ZPBIHOZSMDRWLD-KGLIPLIRSA-N 0 3 351.455 -0.903 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@@H]1n1ccnn1 ZINC001130110010 839581580 /nfs/dbraw/zinc/58/15/80/839581580.db2.gz PJYOBKUVHHXGNC-KFWWJZLASA-N 0 3 350.423 -0.866 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@@H]1n1ccnn1 ZINC001130110011 839581301 /nfs/dbraw/zinc/58/13/01/839581301.db2.gz PJYOBKUVHHXGNC-ZNMIVQPWSA-N 0 3 350.423 -0.866 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@@H]1n1ccnn1 ZINC001130112248 839581209 /nfs/dbraw/zinc/58/12/09/839581209.db2.gz TUBUZYWVHOSEPP-CABCVRRESA-N 0 3 352.439 -0.476 20 0 FBADHN O=C(Cn1cncn1)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130112525 839581564 /nfs/dbraw/zinc/58/15/64/839581564.db2.gz DQZNEPFTSBVGKW-MNOVXSKESA-N 0 3 358.328 -0.136 20 0 FBADHN CC(=O)NCCCCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130112800 839581811 /nfs/dbraw/zinc/58/18/11/839581811.db2.gz SDSDLEOWKBEOCZ-CABCVRRESA-N 0 3 352.439 -0.692 20 0 FBADHN O=C(CNC(=O)c1cccs1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130113008 839580667 /nfs/dbraw/zinc/58/06/67/839580667.db2.gz ZBDORWSMAISCFM-NEPJUHHUSA-N 0 3 364.431 -0.897 20 0 FBADHN NC(=O)NCCC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130118444 839582689 /nfs/dbraw/zinc/58/26/89/839582689.db2.gz FSMCSRWMZLMSCY-ZJUUUORDSA-N 0 3 363.344 -0.370 20 0 FBADHN COCCN[C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@@H]1n1ccnn1 ZINC001130118448 839582342 /nfs/dbraw/zinc/58/23/42/839582342.db2.gz FZNVJGKQZXAJBO-OLZOCXBDSA-N 0 3 366.447 -0.502 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118478 839582605 /nfs/dbraw/zinc/58/26/05/839582605.db2.gz HFYGGRXVPYZCOI-OLZOCXBDSA-N 0 3 353.427 -0.897 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130121621 839583403 /nfs/dbraw/zinc/58/34/03/839583403.db2.gz UWTPTMAMLBXXJZ-OLZOCXBDSA-N 0 3 352.439 -0.572 20 0 FBADHN CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130125590 839582629 /nfs/dbraw/zinc/58/26/29/839582629.db2.gz VWHUBPNGCOMARQ-MCIONIFRSA-N 0 3 352.439 -0.572 20 0 FBADHN CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130125591 839582272 /nfs/dbraw/zinc/58/22/72/839582272.db2.gz VWHUBPNGCOMARQ-MJBXVCDLSA-N 0 3 352.439 -0.572 20 0 FBADHN O=C(CNC(=O)c1ccsc1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130127883 839582257 /nfs/dbraw/zinc/58/22/57/839582257.db2.gz NNKUBPDJSWEEBM-OLZOCXBDSA-N 0 3 364.431 -0.897 20 0 FBADHN CC(C)(C)CC(=O)NCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130127911 839582192 /nfs/dbraw/zinc/58/21/92/839582192.db2.gz PCXJMBMNCVRFTM-OLZOCXBDSA-N 0 3 352.439 -0.836 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001130127923 839582897 /nfs/dbraw/zinc/58/28/97/839582897.db2.gz PWRLGZNZRMBWJP-KGLIPLIRSA-N 0 3 350.423 -0.722 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001130129331 839582585 /nfs/dbraw/zinc/58/25/85/839582585.db2.gz CFHXIBPDCAETIH-MCIONIFRSA-N 0 3 368.463 -0.723 20 0 FBADHN CC(C)=CCN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1n1ccnn1 ZINC001130129332 839582142 /nfs/dbraw/zinc/58/21/42/839582142.db2.gz CFHXIBPDCAETIH-MJBXVCDLSA-N 0 3 368.463 -0.723 20 0 FBADHN COCC[C@@H](C)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130129539 839582199 /nfs/dbraw/zinc/58/21/99/839582199.db2.gz MQHSGNPIMQCENK-KFWWJZLASA-N 0 3 355.439 -0.699 20 0 FBADHN COCC[C@H](C)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130129540 839582127 /nfs/dbraw/zinc/58/21/27/839582127.db2.gz MQHSGNPIMQCENK-ZNMIVQPWSA-N 0 3 355.439 -0.699 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001130129803 839582382 /nfs/dbraw/zinc/58/23/82/839582382.db2.gz XLXRRXMMHKFDJV-OLZOCXBDSA-N 0 3 359.452 -0.911 20 0 FBADHN CCCS(=O)(=O)CC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130129811 839582471 /nfs/dbraw/zinc/58/24/71/839582471.db2.gz YBDIHNCLHIGCFC-OLZOCXBDSA-N 0 3 359.452 -0.909 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130132683 839583646 /nfs/dbraw/zinc/58/36/46/839583646.db2.gz KRWOYRYUBMRNLL-HZSPNIEDSA-N 0 3 371.463 -0.767 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001130132684 839583865 /nfs/dbraw/zinc/58/38/65/839583865.db2.gz KRWOYRYUBMRNLL-RDBSUJKOSA-N 0 3 371.463 -0.767 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@@H](NCC=C(C)C)[C@@H](n2ccnn2)C1 ZINC001130132689 839583930 /nfs/dbraw/zinc/58/39/30/839583930.db2.gz KWAJQXJHMDLCGY-OLZOCXBDSA-N 0 3 356.452 -0.865 20 0 FBADHN CCOCCO[C@H](C)C(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130133910 839585194 /nfs/dbraw/zinc/58/51/94/839585194.db2.gz JHFNCZISBXLWPE-KFWWJZLASA-N 0 3 355.439 -0.292 20 0 FBADHN CCOCCO[C@@H](C)C(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130133911 839585340 /nfs/dbraw/zinc/58/53/40/839585340.db2.gz JHFNCZISBXLWPE-ZNMIVQPWSA-N 0 3 355.439 -0.292 20 0 FBADHN CCS(=O)(=O)CC(=O)N1C[C@@H](N[C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130137157 839584802 /nfs/dbraw/zinc/58/48/02/839584802.db2.gz LVMCAMZIXLGNMF-UPJWGTAASA-N 0 3 359.452 -0.911 20 0 FBADHN CCS(=O)(=O)CC(=O)N1C[C@@H](N[C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130137158 839584777 /nfs/dbraw/zinc/58/47/77/839584777.db2.gz LVMCAMZIXLGNMF-XQQFMLRXSA-N 0 3 359.452 -0.911 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137185 839584944 /nfs/dbraw/zinc/58/49/44/839584944.db2.gz NBOISISQBBQAKH-KGLIPLIRSA-N 0 3 351.455 -0.904 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@@H]1n1ccnn1 ZINC001130137350 839585061 /nfs/dbraw/zinc/58/50/61/839585061.db2.gz UVWOVLKCNKBVOZ-OLZOCXBDSA-N 0 3 359.452 -0.909 20 0 FBADHN COCCN[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1n1ccnn1 ZINC001130139479 839585165 /nfs/dbraw/zinc/58/51/65/839585165.db2.gz ACZPUDRPWLAULV-NEPJUHHUSA-N 0 3 364.431 -0.260 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001130139533 839585080 /nfs/dbraw/zinc/58/50/80/839585080.db2.gz CHSBKFQWXRDAPC-MCIONIFRSA-N 0 3 350.423 -0.866 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001130139534 839585253 /nfs/dbraw/zinc/58/52/53/839585253.db2.gz CHSBKFQWXRDAPC-MJBXVCDLSA-N 0 3 350.423 -0.866 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)COCCOCC)C[C@@H]1n1ccnn1 ZINC001130142629 839586644 /nfs/dbraw/zinc/58/66/44/839586644.db2.gz DWOJRFBCEUVCAX-CABCVRRESA-N 0 3 355.439 -0.291 20 0 FBADHN CCN(CC)C(=O)CCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130143462 839586376 /nfs/dbraw/zinc/58/63/76/839586376.db2.gz VATYQXWJPWBNAG-KGLIPLIRSA-N 0 3 352.439 -0.740 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@@H]1n1ccnn1 ZINC001130145767 839583635 /nfs/dbraw/zinc/58/36/35/839583635.db2.gz AEXYSCVGQRNFIC-KGLIPLIRSA-N 0 3 350.423 -0.818 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@@H]1n1ccnn1 ZINC001130146713 839583807 /nfs/dbraw/zinc/58/38/07/839583807.db2.gz XSHVPVFBRUCJJX-KFWWJZLASA-N 0 3 350.423 -0.723 20 0 FBADHN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130146785 839583685 /nfs/dbraw/zinc/58/36/85/839583685.db2.gz ZAPNNQNSCAZPSN-ATGSNQNLSA-N 0 3 352.439 -0.837 20 0 FBADHN CC(=O)N[C@@](C)(C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130148331 839588480 /nfs/dbraw/zinc/58/84/80/839588480.db2.gz NPBMNRRJPBAMKY-IJEWVQPXSA-N 0 3 352.439 -0.837 20 0 FBADHN CC(=O)N[C@](C)(C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130148333 839588270 /nfs/dbraw/zinc/58/82/70/839588270.db2.gz NPBMNRRJPBAMKY-YCPHGPKFSA-N 0 3 352.439 -0.837 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)CCOCCOC)C[C@@H]1n1ccnn1 ZINC001130148498 839588757 /nfs/dbraw/zinc/58/87/57/839588757.db2.gz TYZDWJKKBYPXEB-CABCVRRESA-N 0 3 355.439 -0.291 20 0 FBADHN CC(C)OCCN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 ZINC001130153187 839585955 /nfs/dbraw/zinc/58/59/55/839585955.db2.gz CKKGLLYAVXMJNO-KGLIPLIRSA-N 0 3 352.439 -0.300 20 0 FBADHN CC(C)CC(=O)NCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130155576 839587022 /nfs/dbraw/zinc/58/70/22/839587022.db2.gz QAFUVOOOFNCHRY-KGLIPLIRSA-N 0 3 352.439 -0.836 20 0 FBADHN CC(=O)N[C@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)C(C)(C)C ZINC001130158410 839587639 /nfs/dbraw/zinc/58/76/39/839587639.db2.gz ITBJSGYUSPOSME-HZSPNIEDSA-N 0 3 352.439 -0.837 20 0 FBADHN CNC(=O)CCCCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130158972 839587778 /nfs/dbraw/zinc/58/77/78/839587778.db2.gz WGCNFGBGXVOUMP-KGLIPLIRSA-N 0 3 352.439 -0.428 20 0 FBADHN CCC(CC)C(=O)NCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130160766 839587287 /nfs/dbraw/zinc/58/72/87/839587287.db2.gz APPHQRAKHRTLRY-KGLIPLIRSA-N 0 3 352.439 -0.836 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001130160948 839587582 /nfs/dbraw/zinc/58/75/82/839587582.db2.gz JIAHWWARGNNWMS-KFWWJZLASA-N 0 3 353.423 -0.538 20 0 FBADHN COCCN[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001130160949 839587600 /nfs/dbraw/zinc/58/76/00/839587600.db2.gz JIAHWWARGNNWMS-ZNMIVQPWSA-N 0 3 353.423 -0.538 20 0 FBADHN C[C@]1(CCC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)CCC(=O)N1 ZINC001130161400 839586942 /nfs/dbraw/zinc/58/69/42/839586942.db2.gz UBUBARAPQPNWQK-DVOMOZLQSA-N 0 3 350.423 -0.939 20 0 FBADHN C[C@@]1(CCC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)CCC(=O)N1 ZINC001130161401 839587743 /nfs/dbraw/zinc/58/77/43/839587743.db2.gz UBUBARAPQPNWQK-WWGRRREGSA-N 0 3 350.423 -0.939 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@@H]1n1ccnn1 ZINC001130163401 839589148 /nfs/dbraw/zinc/58/91/48/839589148.db2.gz JLZFJOGSHZURNS-MCIONIFRSA-N 0 3 352.439 -0.586 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@@H]1n1ccnn1 ZINC001130163404 839588229 /nfs/dbraw/zinc/58/82/29/839588229.db2.gz JLZFJOGSHZURNS-MJBXVCDLSA-N 0 3 352.439 -0.586 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC2CC2)[n-]1 ZINC001130172985 839593255 /nfs/dbraw/zinc/59/32/55/839593255.db2.gz ACNAQRYALZOGAF-STQMWFEESA-N 0 3 350.423 -0.571 20 0 FBADHN CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1 ZINC001130173009 839592150 /nfs/dbraw/zinc/59/21/50/839592150.db2.gz AYAJTWSHJOQDRP-DRZSPHRISA-N 0 3 352.439 -0.182 20 0 FBADHN CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1 ZINC001130173010 839592413 /nfs/dbraw/zinc/59/24/13/839592413.db2.gz AYAJTWSHJOQDRP-WXHSDQCUSA-N 0 3 352.439 -0.182 20 0 FBADHN CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1 ZINC001130173077 839593126 /nfs/dbraw/zinc/59/31/26/839593126.db2.gz DRECMANVLHDNLX-DRZSPHRISA-N 0 3 352.439 -0.182 20 0 FBADHN CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1 ZINC001130173078 839592445 /nfs/dbraw/zinc/59/24/45/839592445.db2.gz DRECMANVLHDNLX-WXHSDQCUSA-N 0 3 352.439 -0.182 20 0 FBADHN CCN(CC)C(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1 ZINC001130173079 839593186 /nfs/dbraw/zinc/59/31/86/839593186.db2.gz DVJROOBYUAXTAJ-STQMWFEESA-N 0 3 352.439 -0.229 20 0 FBADHN COCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCc2csnn2)n1 ZINC001130173133 839594915 /nfs/dbraw/zinc/59/49/15/839594915.db2.gz HGWBWPGLFXRPHJ-QWRGUYRKSA-N 0 3 367.435 -0.419 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N2CCCC2)[n-]1 ZINC001130173154 839593984 /nfs/dbraw/zinc/59/39/84/839593984.db2.gz IDCZZESLDWPIPF-STQMWFEESA-N 0 3 350.423 -0.475 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(=O)NC2CC2)[n-]1 ZINC001130173182 839595074 /nfs/dbraw/zinc/59/50/74/839595074.db2.gz JOMHBBLDZCFAHT-ICCXJUOJSA-N 0 3 350.423 -0.430 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(=O)NC2CC2)[n-]1 ZINC001130173283 839594797 /nfs/dbraw/zinc/59/47/97/839594797.db2.gz JOMHBBLDZCFAHT-XDTLVQLUSA-N 0 3 350.423 -0.430 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C2CC2)[n-]1 ZINC001130173314 839594264 /nfs/dbraw/zinc/59/42/64/839594264.db2.gz KXDIQSIYGPILKF-STQMWFEESA-N 0 3 350.423 -0.476 20 0 FBADHN COCC(=O)NCc1nnc([C@H]2CCO[C@H]2CNCc2ccon2)[nH]1 ZINC001130173325 839595177 /nfs/dbraw/zinc/59/51/77/839595177.db2.gz LLRMIUXZBXQPBV-RYUDHWBXSA-N 0 3 350.379 -0.282 20 0 FBADHN CCCC[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1)C(N)=O ZINC001130173345 839595055 /nfs/dbraw/zinc/59/50/55/839595055.db2.gz MQEMXKCVQCMRHA-AVGNSLFASA-N 0 3 352.439 -0.053 20 0 FBADHN CCCC[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1)C(N)=O ZINC001130173346 839594937 /nfs/dbraw/zinc/59/49/37/839594937.db2.gz MQEMXKCVQCMRHA-XQQFMLRXSA-N 0 3 352.439 -0.053 20 0 FBADHN COCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCc2cnsn2)n1 ZINC001130173365 839595030 /nfs/dbraw/zinc/59/50/30/839595030.db2.gz NQNXKDZSXGZHEX-QWRGUYRKSA-N 0 3 367.435 -0.419 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC(C)C)[n-]1 ZINC001130173389 839594560 /nfs/dbraw/zinc/59/45/60/839594560.db2.gz ORRWINBGQBWSBQ-STQMWFEESA-N 0 3 352.439 -0.325 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C(C)C)[n-]1 ZINC001130173612 839595247 /nfs/dbraw/zinc/59/52/47/839595247.db2.gz VVZHNMQOBZZBHQ-STQMWFEESA-N 0 3 352.439 -0.230 20 0 FBADHN CCCCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[n-]1 ZINC001130173655 839593602 /nfs/dbraw/zinc/59/36/02/839593602.db2.gz YBMUAIQKBSLJCK-STQMWFEESA-N 0 3 352.439 -0.181 20 0 FBADHN CC[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)F)[n-]1)C(N)=O ZINC001130175147 839588652 /nfs/dbraw/zinc/58/86/52/839588652.db2.gz FDAMBVPVOYTSCG-CIUDSAMLSA-N 0 3 360.365 -0.588 20 0 FBADHN CC[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(F)F)[n-]1)C(N)=O ZINC001130175148 839588921 /nfs/dbraw/zinc/58/89/21/839588921.db2.gz FDAMBVPVOYTSCG-YIZRAAEISA-N 0 3 360.365 -0.588 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC2)[n-]1)C(N)=O ZINC001130175263 839589315 /nfs/dbraw/zinc/58/93/15/839589315.db2.gz GNZIYLBLTGXGFO-DLOVCJGASA-N 0 3 350.423 -0.443 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC2)[n-]1)C(N)=O ZINC001130175264 839588809 /nfs/dbraw/zinc/58/88/09/839588809.db2.gz GNZIYLBLTGXGFO-USWWRNFRSA-N 0 3 350.423 -0.443 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC2)[n-]1 ZINC001130175348 839589203 /nfs/dbraw/zinc/58/92/03/839589203.db2.gz JPTQYAZAZKKJRU-RYUDHWBXSA-N 0 3 350.423 -0.571 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC2)[n-]1 ZINC001130175521 839588702 /nfs/dbraw/zinc/58/87/02/839588702.db2.gz NFEHINVEAXIXNR-RYUDHWBXSA-N 0 3 350.423 -0.571 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC2)[n-]1)C(N)=O ZINC001130175659 839589372 /nfs/dbraw/zinc/58/93/72/839589372.db2.gz STDVVHSRKRZLAF-DLOVCJGASA-N 0 3 350.423 -0.443 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC2)[n-]1)C(N)=O ZINC001130175660 839588465 /nfs/dbraw/zinc/58/84/65/839588465.db2.gz STDVVHSRKRZLAF-USWWRNFRSA-N 0 3 350.423 -0.443 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCCC2)[n-]1 ZINC001130175816 839589349 /nfs/dbraw/zinc/58/93/49/839589349.db2.gz YYTOHDRLSDQIFP-RYUDHWBXSA-N 0 3 350.423 -0.442 20 0 FBADHN CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC2)[n-]1 ZINC001130177559 839590755 /nfs/dbraw/zinc/59/07/55/839590755.db2.gz HLKGFWAEKYWGIX-RYUDHWBXSA-N 0 3 350.423 -0.571 20 0 FBADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC(C)(C)C)[n-]1 ZINC001130177694 839590358 /nfs/dbraw/zinc/59/03/58/839590358.db2.gz OUSPSTNRONVEJS-RYUDHWBXSA-N 0 3 352.439 -0.182 20 0 FBADHN CC[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC2)[n-]1)C(N)=O ZINC001130177713 839590219 /nfs/dbraw/zinc/59/02/19/839590219.db2.gz QBLAQQNHFHKYNA-SRVKXCTJSA-N 0 3 350.423 -0.443 20 0 FBADHN CC[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC2)[n-]1)C(N)=O ZINC001130177714 839590016 /nfs/dbraw/zinc/59/00/16/839590016.db2.gz QBLAQQNHFHKYNA-TUAOUCFPSA-N 0 3 350.423 -0.443 20 0 FBADHN CN(C)C(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC2)[n-]1 ZINC001130177723 839590457 /nfs/dbraw/zinc/59/04/57/839590457.db2.gz QUFYMTVSDBNJJK-RYUDHWBXSA-N 0 3 350.423 -0.619 20 0 FBADHN CNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC2)[n-]1 ZINC001130177745 839590531 /nfs/dbraw/zinc/59/05/31/839590531.db2.gz SBGGNMCHHKSECW-DLOVCJGASA-N 0 3 350.423 -0.573 20 0 FBADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC2)[n-]1 ZINC001130177746 839590264 /nfs/dbraw/zinc/59/02/64/839590264.db2.gz SBGGNMCHHKSECW-USWWRNFRSA-N 0 3 350.423 -0.573 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N2CCC2)[n-]1 ZINC001130177789 839590423 /nfs/dbraw/zinc/59/04/23/839590423.db2.gz URGAOULJIMOLRE-RYUDHWBXSA-N 0 3 350.423 -0.475 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)CC)[n-]1 ZINC001130177859 839591194 /nfs/dbraw/zinc/59/11/94/839591194.db2.gz YPPAPTBGTIVLSB-RYUDHWBXSA-N 0 3 352.439 -0.229 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H]2CCNC2=O)[n-]1 ZINC001130179345 839590110 /nfs/dbraw/zinc/59/01/10/839590110.db2.gz BXGATQZJDDCXCG-SRVKXCTJSA-N 0 3 350.423 -0.428 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCNC2=O)[n-]1 ZINC001130179346 839589993 /nfs/dbraw/zinc/58/99/93/839589993.db2.gz BXGATQZJDDCXCG-TUAOUCFPSA-N 0 3 350.423 -0.428 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](CC)C(N)=O)[n-]1 ZINC001130179392 839590236 /nfs/dbraw/zinc/59/02/36/839590236.db2.gz FGGUWDUHZMEVRS-SRVKXCTJSA-N 0 3 352.439 -0.053 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](CC)C(N)=O)[n-]1 ZINC001130179393 839590951 /nfs/dbraw/zinc/59/09/51/839590951.db2.gz FGGUWDUHZMEVRS-TUAOUCFPSA-N 0 3 352.439 -0.053 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)F)[n-]1 ZINC001130179498 839590713 /nfs/dbraw/zinc/59/07/13/839590713.db2.gz GHYJHFBEIPRUNW-UWVGGRQHSA-N 0 3 356.402 -0.623 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H]2CCCNC2=O)[n-]1 ZINC001130179535 839589935 /nfs/dbraw/zinc/58/99/35/839589935.db2.gz HVFDYMXFAAZZDH-SRVKXCTJSA-N 0 3 350.423 -0.428 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCCNC2=O)[n-]1 ZINC001130179536 839591203 /nfs/dbraw/zinc/59/12/03/839591203.db2.gz HVFDYMXFAAZZDH-TUAOUCFPSA-N 0 3 350.423 -0.428 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(=O)N(C)C)[n-]1 ZINC001130179557 839590793 /nfs/dbraw/zinc/59/07/93/839590793.db2.gz ILOMTTGFAWKHDX-SRVKXCTJSA-N 0 3 352.439 -0.230 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(=O)N(C)C)[n-]1 ZINC001130179558 839590384 /nfs/dbraw/zinc/59/03/84/839590384.db2.gz ILOMTTGFAWKHDX-WOPDTQHZSA-N 0 3 352.439 -0.230 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC2CC2)[n-]1 ZINC001130179570 839591273 /nfs/dbraw/zinc/59/12/73/839591273.db2.gz JEJZKOAZEXOOAK-RYUDHWBXSA-N 0 3 350.423 -0.428 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC(C)C)[n-]1 ZINC001130179591 839589818 /nfs/dbraw/zinc/58/98/18/839589818.db2.gz KKESPPFAJPCOCD-RYUDHWBXSA-N 0 3 352.439 -0.182 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)F)[n-]1)C(N)=O ZINC001130179592 839590831 /nfs/dbraw/zinc/59/08/31/839590831.db2.gz KLHKCQSBHZHUST-GUBZILKMSA-N 0 3 356.402 -0.495 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)F)[n-]1)C(N)=O ZINC001130179593 839590174 /nfs/dbraw/zinc/59/01/74/839590174.db2.gz KLHKCQSBHZHUST-UTLUCORTSA-N 0 3 356.402 -0.495 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C)[n-]1 ZINC001130179606 839589886 /nfs/dbraw/zinc/58/98/86/839589886.db2.gz LLFAHLDEINUPQE-RYUDHWBXSA-N 0 3 352.439 -0.229 20 0 FBADHN CCCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC)[n-]1 ZINC001130179882 839590137 /nfs/dbraw/zinc/59/01/37/839590137.db2.gz UVVVVJURUHQKMA-RYUDHWBXSA-N 0 3 352.439 -0.181 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC)[n-]1 ZINC001130180008 839590059 /nfs/dbraw/zinc/59/00/59/839590059.db2.gz WKJDDFVWMCHPHW-RYUDHWBXSA-N 0 3 352.439 -0.181 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H]2CCN(C)C2=O)[n-]1 ZINC001130180051 839590156 /nfs/dbraw/zinc/59/01/56/839590156.db2.gz YQAGTHBBDZQNLS-SRVKXCTJSA-N 0 3 350.423 -0.476 20 0 FBADHN CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)[n-]1 ZINC001130180052 839590640 /nfs/dbraw/zinc/59/06/40/839590640.db2.gz YQAGTHBBDZQNLS-TUAOUCFPSA-N 0 3 350.423 -0.476 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(=O)NC)[n-]1 ZINC001130180082 839592687 /nfs/dbraw/zinc/59/26/87/839592687.db2.gz ZYBITURHZYCUFG-SRVKXCTJSA-N 0 3 352.439 -0.182 20 0 FBADHN CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(=O)NC)[n-]1 ZINC001130180083 839592649 /nfs/dbraw/zinc/59/26/49/839592649.db2.gz ZYBITURHZYCUFG-WOPDTQHZSA-N 0 3 352.439 -0.182 20 0 FBADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)Nc1ncccn1 ZINC001130180090 839593280 /nfs/dbraw/zinc/59/32/80/839593280.db2.gz AJAGARRNLULPIM-FRRDWIJNSA-N 0 3 350.423 -0.772 20 0 FBADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)Nc1ncccn1 ZINC001130180091 839591991 /nfs/dbraw/zinc/59/19/91/839591991.db2.gz AJAGARRNLULPIM-JHJVBQTASA-N 0 3 350.423 -0.772 20 0 FBADHN Cc1nnc(NC(=O)CNCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)s1 ZINC001130180108 839592345 /nfs/dbraw/zinc/59/23/45/839592345.db2.gz BFBCVPIPQHQCCQ-MWLCHTKSSA-N 0 3 356.452 -0.790 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCc2cc(=O)n3ccsc3n2)O1 ZINC001130180260 839592813 /nfs/dbraw/zinc/59/28/13/839592813.db2.gz JRFHDRYKLLOCIY-DGCLKSJQSA-N 0 3 365.459 -0.319 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccs2)[n-]1 ZINC001130181240 839591751 /nfs/dbraw/zinc/59/17/51/839591751.db2.gz CBUPHIHPBYNZHN-UWVGGRQHSA-N 0 3 364.431 -0.256 20 0 FBADHN CSCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCNC2=O)[n-]1 ZINC001130181465 839592318 /nfs/dbraw/zinc/59/23/18/839592318.db2.gz IYCOIEDVAFEXRQ-AXFHLTTASA-N 0 3 368.463 -0.866 20 0 FBADHN CSCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H]2CCNC2=O)[n-]1 ZINC001130181466 839592770 /nfs/dbraw/zinc/59/27/70/839592770.db2.gz IYCOIEDVAFEXRQ-DCAQKATOSA-N 0 3 368.463 -0.866 20 0 FBADHN CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[n-]1 ZINC001130181474 839592589 /nfs/dbraw/zinc/59/25/89/839592589.db2.gz JQRVPNXEMBDYOK-QWRGUYRKSA-N 0 3 370.479 -0.618 20 0 FBADHN CNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[n-]1 ZINC001130181634 839593311 /nfs/dbraw/zinc/59/33/11/839593311.db2.gz NCPJVANMKUGVGI-DCAQKATOSA-N 0 3 370.479 -0.620 20 0 FBADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[n-]1 ZINC001130181635 839593234 /nfs/dbraw/zinc/59/32/34/839593234.db2.gz NCPJVANMKUGVGI-VWYCJHECSA-N 0 3 370.479 -0.620 20 0 FBADHN CSCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C)[n-]1 ZINC001130181638 839592560 /nfs/dbraw/zinc/59/25/60/839592560.db2.gz NHWFSLASWRKRCE-QWRGUYRKSA-N 0 3 370.479 -0.666 20 0 FBADHN CSCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130181675 839592622 /nfs/dbraw/zinc/59/26/22/839592622.db2.gz PFGGNCVPUKRZMF-GUBZILKMSA-N 0 3 356.452 -0.880 20 0 FBADHN CSCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130181676 839592197 /nfs/dbraw/zinc/59/21/97/839592197.db2.gz PFGGNCVPUKRZMF-UTLUCORTSA-N 0 3 356.452 -0.880 20 0 FBADHN CC(C)=CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130181683 839592174 /nfs/dbraw/zinc/59/21/74/839592174.db2.gz PRTSTJRDFSPWKD-SRVKXCTJSA-N 0 3 350.423 -0.277 20 0 FBADHN CC(C)=CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130181684 839593017 /nfs/dbraw/zinc/59/30/17/839593017.db2.gz PRTSTJRDFSPWKD-WOPDTQHZSA-N 0 3 350.423 -0.277 20 0 FBADHN CC[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[n-]1)C(N)=O ZINC001130181705 839592727 /nfs/dbraw/zinc/59/27/27/839592727.db2.gz RCMPYMQZOIAHNN-AXFHLTTASA-N 0 3 370.479 -0.490 20 0 FBADHN CC[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[n-]1)C(N)=O ZINC001130181706 839592530 /nfs/dbraw/zinc/59/25/30/839592530.db2.gz RCMPYMQZOIAHNN-DCAQKATOSA-N 0 3 370.479 -0.490 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C)[n-]1 ZINC001130181960 839592225 /nfs/dbraw/zinc/59/22/25/839592225.db2.gz ZXGLEYZRFQAXQV-RYUDHWBXSA-N 0 3 350.423 -0.405 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC001130182265 839588363 /nfs/dbraw/zinc/58/83/63/839588363.db2.gz AKNABXXADBIAEZ-GRYCIOLGSA-N 0 3 366.384 -0.426 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)O1 ZINC001130182266 839588781 /nfs/dbraw/zinc/58/87/81/839588781.db2.gz AKNABXXADBIAEZ-IJLUTSLNSA-N 0 3 366.384 -0.426 20 0 FBADHN Cc1csc(NC(=O)CNCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001130182299 839588566 /nfs/dbraw/zinc/58/85/66/839588566.db2.gz BJJZQFGDEXWOTQ-VXGBXAGGSA-N 0 3 355.464 -0.185 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)N(C)c2nccs2)O1 ZINC001130182386 839593365 /nfs/dbraw/zinc/59/33/65/839593365.db2.gz FUGHWOOJUNIVOA-VXGBXAGGSA-N 0 3 355.464 -0.469 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)NCc2cccs2)O1 ZINC001130182410 839593213 /nfs/dbraw/zinc/59/32/13/839593213.db2.gz GTEBYGBQNWFQJY-TZMCWYRMSA-N 0 3 354.476 -0.211 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCCS(=O)(=O)c2ccccc2)O1 ZINC001130182417 839593349 /nfs/dbraw/zinc/59/33/49/839593349.db2.gz GURXXAAGKIWWGX-GDBMZVCRSA-N 0 3 369.487 -0.115 20 0 FBADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001130182485 839589261 /nfs/dbraw/zinc/58/92/61/839589261.db2.gz KGNBZBPHKFQFPN-GRYCIOLGSA-N 0 3 355.464 -0.105 20 0 FBADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)Nc1nccs1 ZINC001130182486 839591034 /nfs/dbraw/zinc/59/10/34/839591034.db2.gz KGNBZBPHKFQFPN-IJLUTSLNSA-N 0 3 355.464 -0.105 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]CCC[N-]C(=O)C(F)(F)F)O1 ZINC001130182569 839600698 /nfs/dbraw/zinc/60/06/98/839600698.db2.gz NLWCVYCPDJAMEH-GHMZBOCLSA-N 0 3 354.373 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839600597 /nfs/dbraw/zinc/60/05/97/839600597.db2.gz YLSNECXGDIXHHA-IUODEOHRSA-N 0 3 352.479 -0.284 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsc2)[n-]1 ZINC001130182871 839600393 /nfs/dbraw/zinc/60/03/93/839600393.db2.gz FSCMGTNSPIFJIP-QWRGUYRKSA-N 0 3 364.431 -0.256 20 0 FBADHN CC(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130183008 839600584 /nfs/dbraw/zinc/60/05/84/839600584.db2.gz KSYSBLDCCUMCFB-SRVKXCTJSA-N 0 3 352.439 -0.197 20 0 FBADHN CC(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130183009 839600569 /nfs/dbraw/zinc/60/05/69/839600569.db2.gz KSYSBLDCCUMCFB-WOPDTQHZSA-N 0 3 352.439 -0.197 20 0 FBADHN CSCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130183196 839600413 /nfs/dbraw/zinc/60/04/13/839600413.db2.gz VWRAQSCRBAAYMQ-DCAQKATOSA-N 0 3 370.479 -0.490 20 0 FBADHN CSCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130183197 839600652 /nfs/dbraw/zinc/60/06/52/839600652.db2.gz VWRAQSCRBAAYMQ-VWYCJHECSA-N 0 3 370.479 -0.490 20 0 FBADHN CC(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130183209 839600478 /nfs/dbraw/zinc/60/04/78/839600478.db2.gz WQEAYCGVUQVXAT-RYUDHWBXSA-N 0 3 352.439 -0.196 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)C)[n-]1 ZINC001130183242 839599759 /nfs/dbraw/zinc/59/97/59/839599759.db2.gz YCCYZHJCTULGCZ-RYUDHWBXSA-N 0 3 352.439 -0.325 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCSC)[n-]1 ZINC001130183262 839600630 /nfs/dbraw/zinc/60/06/30/839600630.db2.gz ZDPGRQJOXIQICY-QWRGUYRKSA-N 0 3 370.479 -0.618 20 0 FBADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001130184169 839600206 /nfs/dbraw/zinc/60/02/06/839600206.db2.gz DVDASDYGELIDCV-UMVBOHGHSA-N 0 3 352.435 -0.291 20 0 FBADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)NCc1ccco1 ZINC001130184170 839600023 /nfs/dbraw/zinc/60/00/23/839600023.db2.gz DVDASDYGELIDCV-VNHYZAJKSA-N 0 3 352.435 -0.291 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184184 839600614 /nfs/dbraw/zinc/60/06/14/839600614.db2.gz FOMUXWDVFDRIKK-FRRDWIJNSA-N 0 3 357.455 -0.966 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184185 839599951 /nfs/dbraw/zinc/59/99/51/839599951.db2.gz FOMUXWDVFDRIKK-JHJVBQTASA-N 0 3 357.455 -0.966 20 0 FBADHN Cc1n[nH]c(C)c1NC(=O)CNCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184215 839600622 /nfs/dbraw/zinc/60/06/22/839600622.db2.gz GNXCVEXDBPDDLY-ZWNOBZJWSA-N 0 3 352.439 -0.610 20 0 FBADHN CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184257 839600675 /nfs/dbraw/zinc/60/06/75/839600675.db2.gz IJTQYOFQZZCCRA-QLFBSQMISA-N 0 3 358.483 -0.657 20 0 FBADHN CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184258 839600453 /nfs/dbraw/zinc/60/04/53/839600453.db2.gz IJTQYOFQZZCCRA-RBSFLKMASA-N 0 3 358.483 -0.657 20 0 FBADHN CC(C)OCCCNC(=O)CNCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184284 839600737 /nfs/dbraw/zinc/60/07/37/839600737.db2.gz JTSRFJTWQVJJST-HUUCEWRRSA-N 0 3 358.483 -0.657 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)NCCc2ccsc2)O1 ZINC001130184320 839600257 /nfs/dbraw/zinc/60/02/57/839600257.db2.gz LRXZNFLUZOMTJR-UKRRQHHQSA-N 0 3 368.503 -0.168 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccco2)O1 ZINC001130184349 839600432 /nfs/dbraw/zinc/60/04/32/839600432.db2.gz MPWMECBMEOVGMT-UKRRQHHQSA-N 0 3 352.435 -0.337 20 0 FBADHN Cc1cc(NC(=O)[C@H](C)NCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)on1 ZINC001130184401 839602514 /nfs/dbraw/zinc/60/25/14/839602514.db2.gz OTXMUQOYDIPXBP-FRRDWIJNSA-N 0 3 353.423 -0.265 20 0 FBADHN Cc1cc(NC(=O)[C@@H](C)NCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)on1 ZINC001130184402 839602312 /nfs/dbraw/zinc/60/23/12/839602312.db2.gz OTXMUQOYDIPXBP-JHJVBQTASA-N 0 3 353.423 -0.265 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)Nc2ccc(O)cc2)O1 ZINC001130184403 839602817 /nfs/dbraw/zinc/60/28/17/839602817.db2.gz OWSRYDBRQHXZQA-IUODEOHRSA-N 0 3 350.419 -0.244 20 0 FBADHN Cc1cc(NC(=O)CNCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n(C)n1 ZINC001130184423 839602136 /nfs/dbraw/zinc/60/21/36/839602136.db2.gz PLMHAGUUXJJWLW-CHWSQXEVSA-N 0 3 352.439 -0.908 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)N(C)CC(F)(F)F)O1 ZINC001130184530 839601959 /nfs/dbraw/zinc/60/19/59/839601959.db2.gz UQYONQRQCGSCTA-GHMZBOCLSA-N 0 3 354.373 -0.568 20 0 FBADHN CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184599 839601936 /nfs/dbraw/zinc/60/19/36/839601936.db2.gz VWCLYINJNWOKHC-CHWSQXEVSA-N 0 3 357.455 -0.963 20 0 FBADHN CC(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H]2CCNC2=O)[n-]1 ZINC001130184681 839602336 /nfs/dbraw/zinc/60/23/36/839602336.db2.gz DMXDIIRMBKXDBC-SRVKXCTJSA-N 0 3 350.423 -0.573 20 0 FBADHN CC(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCNC2=O)[n-]1 ZINC001130184682 839602289 /nfs/dbraw/zinc/60/22/89/839602289.db2.gz DMXDIIRMBKXDBC-TUAOUCFPSA-N 0 3 350.423 -0.573 20 0 FBADHN CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130184691 839602710 /nfs/dbraw/zinc/60/27/10/839602710.db2.gz FACFMHXECBRCPG-SRVKXCTJSA-N 0 3 352.439 -0.053 20 0 FBADHN CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130184692 839601689 /nfs/dbraw/zinc/60/16/89/839601689.db2.gz FACFMHXECBRCPG-WOPDTQHZSA-N 0 3 352.439 -0.053 20 0 FBADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001130184761 839602230 /nfs/dbraw/zinc/60/22/30/839602230.db2.gz ZTOAESMHGJAXGA-GMTAPVOTSA-N 0 3 354.373 -0.522 20 0 FBADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(=O)NCC(F)(F)F ZINC001130184762 839602625 /nfs/dbraw/zinc/60/26/25/839602625.db2.gz ZTOAESMHGJAXGA-OUAUKWLOSA-N 0 3 354.373 -0.522 20 0 FBADHN CC(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C)[n-]1 ZINC001130184778 839602106 /nfs/dbraw/zinc/60/21/06/839602106.db2.gz FPANZLFWKYAPSC-RYUDHWBXSA-N 0 3 352.439 -0.373 20 0 FBADHN CNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)C)[n-]1 ZINC001130184813 839601735 /nfs/dbraw/zinc/60/17/35/839601735.db2.gz 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ZINC001130186414 839594273 /nfs/dbraw/zinc/59/42/73/839594273.db2.gz BWWZOEVAHJSJDN-QWRGUYRKSA-N 0 3 370.479 -0.489 20 0 FBADHN CC[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[n-]1 ZINC001130186622 839593643 /nfs/dbraw/zinc/59/36/43/839593643.db2.gz IAWVGNAYPSHTPA-SRVKXCTJSA-N 0 3 352.439 -0.325 20 0 FBADHN CC[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[n-]1 ZINC001130186623 839594730 /nfs/dbraw/zinc/59/47/30/839594730.db2.gz IAWVGNAYPSHTPA-WOPDTQHZSA-N 0 3 352.439 -0.325 20 0 FBADHN CCSCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130187053 839594614 /nfs/dbraw/zinc/59/46/14/839594614.db2.gz SXEZMLSLGIOUOX-QWRGUYRKSA-N 0 3 370.479 -0.489 20 0 FBADHN CC(C)(C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130187238 839593836 /nfs/dbraw/zinc/59/38/36/839593836.db2.gz XJVYXPBCXLHHJU-QWRGUYRKSA-N 0 3 352.439 -0.196 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncs2)[n-]1 ZINC001130187791 839593744 /nfs/dbraw/zinc/59/37/44/839593744.db2.gz JJCLITDXGKAVLH-IUCAKERBSA-N 0 3 365.419 -0.861 20 0 FBADHN CCC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130190526 839596736 /nfs/dbraw/zinc/59/67/36/839596736.db2.gz DQUYWTQYOLYKOR-FDZLHUOSSA-N 0 3 350.423 -0.275 20 0 FBADHN CCC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130190527 839596542 /nfs/dbraw/zinc/59/65/42/839596542.db2.gz DQUYWTQYOLYKOR-UWMOLUOFSA-N 0 3 350.423 -0.275 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(F)(F)F)[n-]1 ZINC001130190816 839596960 /nfs/dbraw/zinc/59/69/60/839596960.db2.gz OWYWXVWYPMJXAR-YUMQZZPRSA-N 0 3 364.328 -0.679 20 0 FBADHN CCC(CC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130190914 839596007 /nfs/dbraw/zinc/59/60/07/839596007.db2.gz UKPGWHDNMBYWBA-RYUDHWBXSA-N 0 3 352.439 -0.196 20 0 FBADHN CC(C)SCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130190924 839596236 /nfs/dbraw/zinc/59/62/36/839596236.db2.gz VDAWFZXNOKUHQF-QWRGUYRKSA-N 0 3 370.479 -0.490 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cscn2)[n-]1 ZINC001130193010 839598920 /nfs/dbraw/zinc/59/89/20/839598920.db2.gz FDOIKFMGGTYJCF-WPRPVWTQSA-N 0 3 365.419 -0.861 20 0 FBADHN CSC[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130193447 839597902 /nfs/dbraw/zinc/59/79/02/839597902.db2.gz YAQBZBGJILQLIL-DCAQKATOSA-N 0 3 370.479 -0.633 20 0 FBADHN CSC[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130193448 839599407 /nfs/dbraw/zinc/59/94/07/839599407.db2.gz YAQBZBGJILQLIL-VWYCJHECSA-N 0 3 370.479 -0.633 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC2CC2)[n-]1 ZINC001130195907 839597674 /nfs/dbraw/zinc/59/76/74/839597674.db2.gz IIGOCYHERMCDOZ-RYUDHWBXSA-N 0 3 350.423 -0.442 20 0 FBADHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130195941 839599379 /nfs/dbraw/zinc/59/93/79/839599379.db2.gz JYOUFQQGHZHYNJ-PGSFJSJDSA-N 0 3 350.423 -0.277 20 0 FBADHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130195942 839599104 /nfs/dbraw/zinc/59/91/04/839599104.db2.gz JYOUFQQGHZHYNJ-PYVNYGQLSA-N 0 3 350.423 -0.277 20 0 FBADHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130195943 839598479 /nfs/dbraw/zinc/59/84/79/839598479.db2.gz JYOUFQQGHZHYNJ-QFKCABGHSA-N 0 3 350.423 -0.277 20 0 FBADHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130195944 839598697 /nfs/dbraw/zinc/59/86/97/839598697.db2.gz JYOUFQQGHZHYNJ-VIIRKEGASA-N 0 3 350.423 -0.277 20 0 FBADHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[n-]1 ZINC001130196180 839598399 /nfs/dbraw/zinc/59/83/99/839598399.db2.gz VQWVQTDNKYFPEJ-FDZLHUOSSA-N 0 3 350.423 -0.405 20 0 FBADHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[n-]1 ZINC001130196181 839598136 /nfs/dbraw/zinc/59/81/36/839598136.db2.gz VQWVQTDNKYFPEJ-UWMOLUOFSA-N 0 3 350.423 -0.405 20 0 FBADHN C[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1)C1CC1 ZINC001130196220 839599053 /nfs/dbraw/zinc/59/90/53/839599053.db2.gz XKIHLGDFBWTUHR-DLOVCJGASA-N 0 3 350.423 -0.586 20 0 FBADHN C[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1)C1CC1 ZINC001130196221 839598630 /nfs/dbraw/zinc/59/86/30/839598630.db2.gz XKIHLGDFBWTUHR-USWWRNFRSA-N 0 3 350.423 -0.586 20 0 FBADHN CC1CC(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)[n-]2)C1 ZINC001130198396 839598865 /nfs/dbraw/zinc/59/88/65/839598865.db2.gz JFXRCHNHKGRJFT-QQFIATSDSA-N 0 3 350.423 -0.586 20 0 FBADHN CC(C)=C(F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130198525 839600321 /nfs/dbraw/zinc/60/03/21/839600321.db2.gz NZJYHCRWBAYXGP-UWVGGRQHSA-N 0 3 354.386 -0.368 20 0 FBADHN CCC[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130198564 839599903 /nfs/dbraw/zinc/59/99/03/839599903.db2.gz PFZWHRHREQXPNS-SRVKXCTJSA-N 0 3 352.439 -0.196 20 0 FBADHN CCC[C@@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130198565 839600779 /nfs/dbraw/zinc/60/07/79/839600779.db2.gz PFZWHRHREQXPNS-WOPDTQHZSA-N 0 3 352.439 -0.196 20 0 FBADHN CS[C@@H](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130200302 839605298 /nfs/dbraw/zinc/60/52/98/839605298.db2.gz GZOUFLFHYRKIJO-DCAQKATOSA-N 0 3 370.479 -0.490 20 0 FBADHN CS[C@H](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130200303 839605840 /nfs/dbraw/zinc/60/58/40/839605840.db2.gz GZOUFLFHYRKIJO-VWYCJHECSA-N 0 3 370.479 -0.490 20 0 FBADHN CC1(C)C[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130200736 839605207 /nfs/dbraw/zinc/60/52/07/839605207.db2.gz VEQISGNJTITNGD-AXFHLTTASA-N 0 3 350.423 -0.586 20 0 FBADHN CC1(C)C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130200737 839606009 /nfs/dbraw/zinc/60/60/09/839606009.db2.gz VEQISGNJTITNGD-DCAQKATOSA-N 0 3 350.423 -0.586 20 0 FBADHN CC[C@H](SC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130200778 839605590 /nfs/dbraw/zinc/60/55/90/839605590.db2.gz WQEYFJHEHMZLIY-DCAQKATOSA-N 0 3 370.479 -0.490 20 0 FBADHN CC[C@@H](SC)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130200779 839606067 /nfs/dbraw/zinc/60/60/67/839606067.db2.gz WQEYFJHEHMZLIY-GARJFASQSA-N 0 3 370.479 -0.490 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CCC2)[n-]1 ZINC001130204815 839601761 /nfs/dbraw/zinc/60/17/61/839601761.db2.gz LQXHSYPCYVLPMC-RYUDHWBXSA-N 0 3 350.423 -0.442 20 0 FBADHN CC[C@H](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130205177 839604201 /nfs/dbraw/zinc/60/42/01/839604201.db2.gz TWOXRTXAHQAZHJ-SRVKXCTJSA-N 0 3 352.439 -0.196 20 0 FBADHN CC[C@@H](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130205178 839603539 /nfs/dbraw/zinc/60/35/39/839603539.db2.gz TWOXRTXAHQAZHJ-WOPDTQHZSA-N 0 3 352.439 -0.196 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC2(F)F)[n-]1 ZINC001130207605 839604278 /nfs/dbraw/zinc/60/42/78/839604278.db2.gz IVKJMQMDJDQKRI-CIUDSAMLSA-N 0 3 358.349 -0.977 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC2(F)F)[n-]1 ZINC001130207606 839603756 /nfs/dbraw/zinc/60/37/56/839603756.db2.gz IVKJMQMDJDQKRI-YIZRAAEISA-N 0 3 358.349 -0.977 20 0 FBADHN CCC(C)=CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130207626 839603593 /nfs/dbraw/zinc/60/35/93/839603593.db2.gz JLPJQIPBDQGYLO-AUSWNFFYSA-N 0 3 350.423 -0.275 20 0 FBADHN CCC(C)=CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130207627 839603688 /nfs/dbraw/zinc/60/36/88/839603688.db2.gz JLPJQIPBDQGYLO-RZZPXTMHSA-N 0 3 350.423 -0.275 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC2)[n-]1)C(N)=O ZINC001130213044 839605256 /nfs/dbraw/zinc/60/52/56/839605256.db2.gz QPJDXULBIYIJQD-DCAQKATOSA-N 0 3 350.423 -0.443 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC2)[n-]1)C(N)=O ZINC001130213045 839606172 /nfs/dbraw/zinc/60/61/72/839606172.db2.gz QPJDXULBIYIJQD-VWYCJHECSA-N 0 3 350.423 -0.443 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccns2)[n-]1 ZINC001130216165 839605101 /nfs/dbraw/zinc/60/51/01/839605101.db2.gz PCPPDFXQTDCNDC-IUCAKERBSA-N 0 3 365.419 -0.861 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC2)[n-]1 ZINC001130216185 839605390 /nfs/dbraw/zinc/60/53/90/839605390.db2.gz QAZYQXIDSKISFR-QWRGUYRKSA-N 0 3 350.423 -0.571 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccsn2)[n-]1 ZINC001130220529 839603512 /nfs/dbraw/zinc/60/35/12/839603512.db2.gz BPPAGRUJMAPYOK-WPRPVWTQSA-N 0 3 365.419 -0.861 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC(F)F)[n-]1 ZINC001130223148 839606916 /nfs/dbraw/zinc/60/69/16/839606916.db2.gz OHRWWKRERFEQEI-IUCAKERBSA-N 0 3 360.365 -0.586 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C)[n-]1 ZINC001130224791 839607179 /nfs/dbraw/zinc/60/71/79/839607179.db2.gz BSLNQCTVKOIKRF-KXNHARMFSA-N 0 3 350.423 -0.715 20 0 FBADHN CC1(CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)[n-]2)CC1 ZINC001130224951 839606967 /nfs/dbraw/zinc/60/69/67/839606967.db2.gz KGQANSSTBCCCKZ-QWRGUYRKSA-N 0 3 350.423 -0.442 20 0 FBADHN CC(C)[C@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130227487 839607857 /nfs/dbraw/zinc/60/78/57/839607857.db2.gz AOPORXCTIKHKGV-KWBADKCTSA-N 0 3 356.402 -0.638 20 0 FBADHN CC(C)[C@@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130227488 839607435 /nfs/dbraw/zinc/60/74/35/839607435.db2.gz AOPORXCTIKHKGV-OUJBWJOFSA-N 0 3 356.402 -0.638 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@@H]2C)[n-]1 ZINC001130227516 839607369 /nfs/dbraw/zinc/60/73/69/839607369.db2.gz BSLNQCTVKOIKRF-BJDJZHNGSA-N 0 3 350.423 -0.715 20 0 FBADHN C[C@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[n-]1)C(N)=O ZINC001130227778 839607346 /nfs/dbraw/zinc/60/73/46/839607346.db2.gz ONJKZMNVSBYJAY-DCAQKATOSA-N 0 3 356.402 -0.494 20 0 FBADHN C[C@@H]([NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[n-]1)C(N)=O ZINC001130227779 839607220 /nfs/dbraw/zinc/60/72/20/839607220.db2.gz ONJKZMNVSBYJAY-VWYCJHECSA-N 0 3 356.402 -0.494 20 0 FBADHN CC[C@@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[n-]1 ZINC001130227858 839607077 /nfs/dbraw/zinc/60/70/77/839607077.db2.gz SFTPCQTVVQLMNS-AXFHLTTASA-N 0 3 356.402 -0.623 20 0 FBADHN CC[C@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[n-]1 ZINC001130227859 839607697 /nfs/dbraw/zinc/60/76/97/839607697.db2.gz SFTPCQTVVQLMNS-DCAQKATOSA-N 0 3 356.402 -0.623 20 0 FBADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[n-]1 ZINC001130229739 839607032 /nfs/dbraw/zinc/60/70/32/839607032.db2.gz COKMFIINRLQBKO-QWRGUYRKSA-N 0 3 356.402 -0.621 20 0 FBADHN CC1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)[n-]2)CCC1 ZINC001130230314 839609819 /nfs/dbraw/zinc/60/98/19/839609819.db2.gz RPTZNQWFACFLMO-QWRGUYRKSA-N 0 3 350.423 -0.442 20 0 FBADHN NC(=O)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCc2nccs2)n[nH]1 ZINC001130232132 839608604 /nfs/dbraw/zinc/60/86/04/839608604.db2.gz AKCGYOTXGIXNPJ-IUCAKERBSA-N 0 3 365.419 -0.975 20 0 FBADHN CC(F)(F)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130232390 839609475 /nfs/dbraw/zinc/60/94/75/839609475.db2.gz FZMVCPIWLZAHKP-IUCAKERBSA-N 0 3 360.365 -0.586 20 0 FBADHN NC(=O)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2cncs2)[n-]1 ZINC001130232441 839609565 /nfs/dbraw/zinc/60/95/65/839609565.db2.gz HQEWDOLMUJLRNT-UWVGGRQHSA-N 0 3 365.419 -0.975 20 0 FBADHN NC(=O)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccns2)[n-]1 ZINC001130232642 839609898 /nfs/dbraw/zinc/60/98/98/839609898.db2.gz MCISJDZDWKGVFE-UWVGGRQHSA-N 0 3 365.419 -0.975 20 0 FBADHN NC(=O)C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCc2cscn2)[nH]1 ZINC001130232881 839608708 /nfs/dbraw/zinc/60/87/08/839608708.db2.gz RTLWZBXQAZNHHK-UWVGGRQHSA-N 0 3 365.419 -0.975 20 0 FBADHN NC(=O)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCc2cscn2)n[nH]1 ZINC001130232881 839608697 /nfs/dbraw/zinc/60/86/97/839608697.db2.gz RTLWZBXQAZNHHK-UWVGGRQHSA-N 0 3 365.419 -0.975 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CF)CC2)[n-]1 ZINC001130234885 839609875 /nfs/dbraw/zinc/60/98/75/839609875.db2.gz NQZKOMHKCBAGLY-UWVGGRQHSA-N 0 3 354.386 -0.882 20 0 FBADHN CC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130238021 839608846 /nfs/dbraw/zinc/60/88/46/839608846.db2.gz PGKAMSZMYYPTDT-KXNHARMFSA-N 0 3 350.423 -0.586 20 0 FBADHN CCC(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130240311 839605947 /nfs/dbraw/zinc/60/59/47/839605947.db2.gz NDXYOUNPFAFEGE-QWRGUYRKSA-N 0 3 352.439 -0.196 20 0 FBADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nccs2)[n-]1 ZINC001130242106 839611019 /nfs/dbraw/zinc/61/10/19/839611019.db2.gz FSCSMOIXNTWEJP-IUCAKERBSA-N 0 3 365.419 -0.861 20 0 FBADHN 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COC(=O)[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001130731290 839638743 /nfs/dbraw/zinc/63/87/43/839638743.db2.gz INQFQYAUHZZVDL-ZQDZILKHSA-N 0 3 350.419 -0.098 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001130731479 839639257 /nfs/dbraw/zinc/63/92/57/839639257.db2.gz GJOKBLUUHDUOLL-CFVMTHIKSA-N 0 3 370.475 -0.472 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001130731480 839639387 /nfs/dbraw/zinc/63/93/87/839639387.db2.gz GJOKBLUUHDUOLL-NWANDNLSSA-N 0 3 370.475 -0.472 20 0 FBADHN CCS(=O)(=O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCOC)C1 ZINC001130734673 839639353 /nfs/dbraw/zinc/63/93/53/839639353.db2.gz ZYBZVALNWFIPIC-GXTWGEPZSA-N 0 3 358.464 -0.615 20 0 FBADHN CC[C@@H]([NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC3)n[n-]2)O1)C(N)=O ZINC001130744311 839640536 /nfs/dbraw/zinc/64/05/36/839640536.db2.gz DMDXVDYYNGELEM-QJPTWQEYSA-N 0 3 350.423 -0.096 20 0 FBADHN CC[C@H]([NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC3)n[n-]2)O1)C(N)=O 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/nfs/dbraw/zinc/64/04/32/839640432.db2.gz UQOJEHKBZULNFS-GARJFASQSA-N 0 3 354.411 -0.989 20 0 FBADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC)n[n-]2)O1 ZINC001130745191 839640819 /nfs/dbraw/zinc/64/08/19/839640819.db2.gz UQOJEHKBZULNFS-OUAUKWLOSA-N 0 3 354.411 -0.989 20 0 FBADHN CC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@H](C)C(=O)NC3CC3)O2)n1 ZINC001130746421 839641845 /nfs/dbraw/zinc/64/18/45/839641845.db2.gz FNRIRPXGOOVWQD-JIMOISOXSA-N 0 3 350.423 -0.082 20 0 FBADHN CC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@@H](C)C(=O)NC3CC3)O2)n1 ZINC001130746561 839641782 /nfs/dbraw/zinc/64/17/82/839641782.db2.gz FNRIRPXGOOVWQD-TVYUQYBPSA-N 0 3 350.423 -0.082 20 0 FBADHN CCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)O2)n1 ZINC001130747111 839641637 /nfs/dbraw/zinc/64/16/37/839641637.db2.gz PKYMMMWQCMJJOI-QJPTWQEYSA-N 0 3 350.423 -0.081 20 0 FBADHN CCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)O2)n1 ZINC001130747112 839642149 /nfs/dbraw/zinc/64/21/49/839642149.db2.gz PKYMMMWQCMJJOI-SDDRHHMPSA-N 0 3 350.423 -0.081 20 0 FBADHN CNC(=O)[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSC)n[n-]2)O1 ZINC001130752889 839641872 /nfs/dbraw/zinc/64/18/72/839641872.db2.gz GPBQQAAZUHQCRQ-GARJFASQSA-N 0 3 370.479 -0.272 20 0 FBADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSC)n[n-]2)O1 ZINC001130752890 839643107 /nfs/dbraw/zinc/64/31/07/839643107.db2.gz GPBQQAAZUHQCRQ-OUAUKWLOSA-N 0 3 370.479 -0.272 20 0 FBADHN COCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](CNCc3cnon3)O2)n1 ZINC001130752908 839642924 /nfs/dbraw/zinc/64/29/24/839642924.db2.gz HEUVMOKYMCTAIR-WDEREUQCSA-N 0 3 351.367 -0.540 20 0 FBADHN CCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)O2)n1 ZINC001130753003 839643189 /nfs/dbraw/zinc/64/31/89/839643189.db2.gz MJCWFSRWMGZNFP-QJPTWQEYSA-N 0 3 350.423 -0.129 20 0 FBADHN CCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@H]3CCN(C)C3=O)O2)n1 ZINC001130753004 839642996 /nfs/dbraw/zinc/64/29/96/839642996.db2.gz MJCWFSRWMGZNFP-SDDRHHMPSA-N 0 3 350.423 -0.129 20 0 FBADHN CC[C@H]([NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSC)n[n-]2)O1)C(N)=O ZINC001130753241 839643221 /nfs/dbraw/zinc/64/32/21/839643221.db2.gz YSEDAQSPSPSGTK-GARJFASQSA-N 0 3 370.479 -0.143 20 0 FBADHN CC[C@@H]([NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CSC)n[n-]2)O1)C(N)=O ZINC001130753242 839643163 /nfs/dbraw/zinc/64/31/63/839643163.db2.gz YSEDAQSPSPSGTK-HBNTYKKESA-N 0 3 370.479 -0.143 20 0 FBADHN NC(=O)C(=O)NCc1nc([C@H]2CC[C@@H](CNCc3cscn3)O2)n[nH]1 ZINC001130802316 839651482 /nfs/dbraw/zinc/65/14/82/839651482.db2.gz NPTFYSXICXVUQU-VHSXEESVSA-N 0 3 365.419 -0.627 20 0 FBADHN NC(=O)C(=O)NCc1nc([C@H]2CC[C@@H](CNCc3nccs3)O2)n[nH]1 ZINC001130807201 839649950 /nfs/dbraw/zinc/64/99/50/839649950.db2.gz TWLOLMHORXJTMR-DTWKUNHWSA-N 0 3 365.419 -0.627 20 0 FBADHN CCCC[C@H](N[C@@H]1CN(C(=O)COC)C[C@H]1c1cncn1C)C(N)=O ZINC001130882402 839654121 /nfs/dbraw/zinc/65/41/21/839654121.db2.gz DPRNTTQXTXNBIW-HZSPNIEDSA-N 0 3 351.451 -0.005 20 0 FBADHN CCCC[C@@H](N[C@@H]1CN(C(=O)COC)C[C@H]1c1cncn1C)C(N)=O ZINC001130882403 839654431 /nfs/dbraw/zinc/65/44/31/839654431.db2.gz DPRNTTQXTXNBIW-MGPQQGTHSA-N 0 3 351.451 -0.005 20 0 FBADHN CCC(=O)N1C[C@@H](c2cncn2C)[C@H](NCCN(C)S(C)(=O)=O)C1 ZINC001130882666 839654773 /nfs/dbraw/zinc/65/47/73/839654773.db2.gz LERRMVDFXHRVPW-CHWSQXEVSA-N 0 3 357.480 -0.395 20 0 FBADHN COCC(=O)N1C[C@@H](c2cncn2C)[C@H](NCCCS(C)(=O)=O)C1 ZINC001130882671 839654065 /nfs/dbraw/zinc/65/40/65/839654065.db2.gz LJBCEVXGPRHJBK-CHWSQXEVSA-N 0 3 358.464 -0.615 20 0 FBADHN CCCC(=O)N1C[C@@H](c2cncn2C)[C@H](NCCN(C)S(C)(=O)=O)C1 ZINC001130889247 839656160 /nfs/dbraw/zinc/65/61/60/839656160.db2.gz WSVFPQAIJZHEFB-ZIAGYGMSSA-N 0 3 371.507 -0.004 20 0 FBADHN CN(CCN[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1cncn1C)S(C)(=O)=O ZINC001130892040 839655561 /nfs/dbraw/zinc/65/55/61/839655561.db2.gz YJCPMSUASAIZIF-ZIAGYGMSSA-N 0 3 369.491 -0.395 20 0 FBADHN Cn1cncc1[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC/C=C\Cl ZINC001130902969 839657200 /nfs/dbraw/zinc/65/72/00/839657200.db2.gz MSHBCRONUUMHRP-JDEDCZITSA-N 0 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839659316 /nfs/dbraw/zinc/65/93/16/839659316.db2.gz JUUKMCSYZQDSHI-CHWSQXEVSA-N 0 3 358.464 -0.615 20 0 FBADHN Cn1cncc1[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC/C=C\Cl ZINC001130988909 839663811 /nfs/dbraw/zinc/66/38/11/839663811.db2.gz PIAIXZABURFDHC-JDEDCZITSA-N 0 3 350.814 -0.257 20 0 FBADHN Cn1cncc1[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC/C=C/Cl ZINC001130988910 839663691 /nfs/dbraw/zinc/66/36/91/839663691.db2.gz PIAIXZABURFDHC-JGLYPNHGSA-N 0 3 350.814 -0.257 20 0 FBADHN CCOCCN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1c1cncn1C ZINC001130998835 839664536 /nfs/dbraw/zinc/66/45/36/839664536.db2.gz CKAUOTGIKKNOLZ-ZIAGYGMSSA-N 0 3 370.475 -0.615 20 0 FBADHN COC[C@H](C)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1c1cncn1C ZINC001130999640 839665743 /nfs/dbraw/zinc/66/57/43/839665743.db2.gz WDUCHMWMTRNDNR-IACUBPJLSA-N 0 3 370.475 -0.616 20 0 FBADHN COC[C@@H](C)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1c1cncn1C ZINC001130999641 839665725 /nfs/dbraw/zinc/66/57/25/839665725.db2.gz WDUCHMWMTRNDNR-MRVWCRGKSA-N 0 3 370.475 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ZIVUWMILUFWJQQ-CQSZACIVSA-N 0 3 370.475 -0.092 20 0 FBADHN CN1CCN(CC2CN(C(=O)c3ccc(CS(N)(=O)=O)cc3)C2)CC1 ZINC001141387565 843692079 /nfs/dbraw/zinc/69/20/79/843692079.db2.gz PGLXDNRBTUAZLB-UHFFFAOYSA-N 0 3 366.487 -0.206 20 0 FBADHN Cn1nnc(Br)c1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001141387625 843691895 /nfs/dbraw/zinc/69/18/95/843691895.db2.gz RNYQQSDKRSAKPP-UHFFFAOYSA-N 0 3 357.256 -0.103 20 0 FBADHN CN1CCN(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC001141387977 843692438 /nfs/dbraw/zinc/69/24/38/843692438.db2.gz YGOPYEUMXMCQTI-UHFFFAOYSA-N 0 3 358.508 -0.636 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCCCS(N)(=O)=O)cn1 ZINC001141508751 843694154 /nfs/dbraw/zinc/69/41/54/843694154.db2.gz LOSCKUMXRLDUOR-KBPBESRZSA-N 0 3 357.480 -0.360 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCCCS(N)(=O)=O)cn1 ZINC001141508752 843693901 /nfs/dbraw/zinc/69/39/01/843693901.db2.gz LOSCKUMXRLDUOR-KGLIPLIRSA-N 0 3 357.480 -0.360 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCCCS(N)(=O)=O)cn1 ZINC001141508753 843693732 /nfs/dbraw/zinc/69/37/32/843693732.db2.gz LOSCKUMXRLDUOR-UONOGXRCSA-N 0 3 357.480 -0.360 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCCCS(N)(=O)=O)cn1 ZINC001141508754 843694063 /nfs/dbraw/zinc/69/40/63/843694063.db2.gz LOSCKUMXRLDUOR-ZIAGYGMSSA-N 0 3 357.480 -0.360 20 0 FBADHN CCC(CC)Nc1ccncc1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001141520349 843694995 /nfs/dbraw/zinc/69/49/95/843694995.db2.gz LQJDAFMRSSDWEN-ZDUSSCGKSA-N 0 3 354.432 -0.044 20 0 FBADHN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H](CO)CN1CCCC1 ZINC001141653508 843696528 /nfs/dbraw/zinc/69/65/28/843696528.db2.gz DAAKLJFYQNZRQP-GFCCVEGCSA-N 0 3 367.427 -0.596 20 0 FBADHN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](CO)CN1CCCC1 ZINC001141653509 843696407 /nfs/dbraw/zinc/69/64/07/843696407.db2.gz DAAKLJFYQNZRQP-LBPRGKRZSA-N 0 3 367.427 -0.596 20 0 FBADHN C[C@H](C(=O)N[C@@H](CO)CN1CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC001141654778 843696471 /nfs/dbraw/zinc/69/64/71/843696471.db2.gz WTHMAHDEWBBYRN-CHWSQXEVSA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@H](C(=O)N[C@H](CO)CN1CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC001141654780 843696457 /nfs/dbraw/zinc/69/64/57/843696457.db2.gz WTHMAHDEWBBYRN-OLZOCXBDSA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@@H](C(=O)N[C@@H](CO)CN1CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC001141654927 843696475 /nfs/dbraw/zinc/69/64/75/843696475.db2.gz WTHMAHDEWBBYRN-QWHCGFSZSA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@@H](C(=O)N[C@H](CO)CN1CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC001141654928 843696492 /nfs/dbraw/zinc/69/64/92/843696492.db2.gz WTHMAHDEWBBYRN-STQMWFEESA-N 0 3 352.435 -0.188 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)C(C)(C)NC(=O)OC)CC1=O ZINC001141740466 843698834 /nfs/dbraw/zinc/69/88/34/843698834.db2.gz ZJYOQRCLJFSQPI-GFCCVEGCSA-N 0 3 358.439 -0.584 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)C(C)(C)NC(=O)OC)CC1=O ZINC001141740467 843698915 /nfs/dbraw/zinc/69/89/15/843698915.db2.gz ZJYOQRCLJFSQPI-LBPRGKRZSA-N 0 3 358.439 -0.584 20 0 FBADHN COCCN1CCC(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001142314336 843709817 /nfs/dbraw/zinc/70/98/17/843709817.db2.gz DKULEKJYZBCRMD-GFCCVEGCSA-N 0 3 352.395 -0.773 20 0 FBADHN COCCN1CCC(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001142314337 843709735 /nfs/dbraw/zinc/70/97/35/843709735.db2.gz DKULEKJYZBCRMD-LBPRGKRZSA-N 0 3 352.395 -0.773 20 0 FBADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CN(C)C(C)C)C1 ZINC001142584398 843715067 /nfs/dbraw/zinc/71/50/67/843715067.db2.gz UZEAAJPZYAPLKJ-AWEZNQCLSA-N 0 3 351.451 -0.056 20 0 FBADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CN(C)C(C)C)C1 ZINC001142584399 843715144 /nfs/dbraw/zinc/71/51/44/843715144.db2.gz UZEAAJPZYAPLKJ-CQSZACIVSA-N 0 3 351.451 -0.056 20 0 FBADHN CC(C)N(C)CC(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1 ZINC001142586814 836535855 /nfs/dbraw/zinc/53/58/55/836535855.db2.gz NJTBSYIUJPKVGC-UHFFFAOYSA-N 0 3 352.439 -0.435 20 0 FBADHN Cc1cn([C@H]2C[C@H](NC(=O)CN(C)C(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001142590782 843715382 /nfs/dbraw/zinc/71/53/82/843715382.db2.gz RRBJFMCARAXTQA-OUCADQQQSA-N 0 3 354.407 -0.638 20 0 FBADHN CN(C)S(=O)(=O)CCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001142968600 843719957 /nfs/dbraw/zinc/71/99/57/843719957.db2.gz CNMXKGAIZUKAQM-CYBMUJFWSA-N 0 3 360.480 -0.791 20 0 FBADHN CN(C)S(=O)(=O)CCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001142968601 843720710 /nfs/dbraw/zinc/72/07/10/843720710.db2.gz CNMXKGAIZUKAQM-ZDUSSCGKSA-N 0 3 360.480 -0.791 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)NC2(CO)CCN(C)CC2)cc1 ZINC001143077018 843722640 /nfs/dbraw/zinc/72/26/40/843722640.db2.gz CDPMNIQADSOWJM-UHFFFAOYSA-N 0 3 355.460 -0.154 20 0 FBADHN CCOC(=O)c1nc2n(n1)CCN(C(=O)CCN1CCN(C)CC1)C2 ZINC001143224788 843725547 /nfs/dbraw/zinc/72/55/47/843725547.db2.gz BRUYJDRWXSRADE-UHFFFAOYSA-N 0 3 350.423 -0.566 20 0 FBADHN CN1CCN(CCC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC001143224920 843724563 /nfs/dbraw/zinc/72/45/63/843724563.db2.gz IAJKDDUGJONUDS-UHFFFAOYSA-N 0 3 350.467 -0.209 20 0 FBADHN CN1CCN(CCC(=O)N2CCN(CCCS(C)(=O)=O)CC2)CC1 ZINC001143230009 843724526 /nfs/dbraw/zinc/72/45/26/843724526.db2.gz AQDWPPDQHSMWPU-UHFFFAOYSA-N 0 3 360.524 -0.797 20 0 FBADHN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CCN1CCN(C)CC1 ZINC001143230267 843725248 /nfs/dbraw/zinc/72/52/48/843725248.db2.gz GJIKWVSJZLQQDH-AAEUAGOBSA-N 0 3 359.448 -0.760 20 0 FBADHN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)CCN1CCN(C)CC1 ZINC001143230268 843724331 /nfs/dbraw/zinc/72/43/31/843724331.db2.gz GJIKWVSJZLQQDH-DGCLKSJQSA-N 0 3 359.448 -0.760 20 0 FBADHN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)CCN1CCN(C)CC1 ZINC001143230269 843724960 /nfs/dbraw/zinc/72/49/60/843724960.db2.gz GJIKWVSJZLQQDH-WCQYABFASA-N 0 3 359.448 -0.760 20 0 FBADHN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)CCN1CCN(C)CC1 ZINC001143230270 843724989 /nfs/dbraw/zinc/72/49/89/843724989.db2.gz GJIKWVSJZLQQDH-YPMHNXCESA-N 0 3 359.448 -0.760 20 0 FBADHN CN1CCN(CCC(=O)N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)CC1 ZINC001143230417 843725377 /nfs/dbraw/zinc/72/53/77/843725377.db2.gz HQMASPHEUPGTIN-CABCVRRESA-N 0 3 358.508 -0.494 20 0 FBADHN CN1CCN(CCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC001143230431 843725215 /nfs/dbraw/zinc/72/52/15/843725215.db2.gz IGSTZFGZMPVZRP-INIZCTEOSA-N 0 3 352.479 -0.136 20 0 FBADHN CN1CCN(CCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001143230432 843725074 /nfs/dbraw/zinc/72/50/74/843725074.db2.gz IGSTZFGZMPVZRP-MRXNPFEDSA-N 0 3 352.479 -0.136 20 0 FBADHN CN1CCN(CCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001143230439 843725310 /nfs/dbraw/zinc/72/53/10/843725310.db2.gz IQTQXBUUAMFRKS-UHFFFAOYSA-N 0 3 351.495 -0.610 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)CCN3CCN(C)CC3)CC[C@H]2S1(=O)=O ZINC001143231026 843724752 /nfs/dbraw/zinc/72/47/52/843724752.db2.gz PXPWJZNHAQZFAZ-HZPDHXFCSA-N 0 3 372.535 -0.104 20 0 FBADHN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 ZINC001143231040 843724654 /nfs/dbraw/zinc/72/46/54/843724654.db2.gz QHAMMADKYMVBPC-GOSISDBHSA-N 0 3 352.479 -0.136 20 0 FBADHN CC(=O)N1CCC[C@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 ZINC001143231041 843725013 /nfs/dbraw/zinc/72/50/13/843725013.db2.gz QHAMMADKYMVBPC-SFHVURJKSA-N 0 3 352.479 -0.136 20 0 FBADHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@H]21 ZINC001143231489 843725034 /nfs/dbraw/zinc/72/50/34/843725034.db2.gz WZPSIHIJJZAHIH-OWCLPIDISA-N 0 3 352.479 -0.377 20 0 FBADHN CN1CCN(CCC(=O)N2CCC(OCC(=O)NC3CC3)CC2)CC1 ZINC001143231916 843725274 /nfs/dbraw/zinc/72/52/74/843725274.db2.gz VVQJHNHQHZPPRM-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN CCn1c(N)c(NC(=O)CCN2CCN(C)CC2)c(=O)n(CC)c1=O ZINC001143236481 843724443 /nfs/dbraw/zinc/72/44/43/843724443.db2.gz IGBSIYCGUPKMKA-UHFFFAOYSA-N 0 3 352.439 -0.792 20 0 FBADHN CN1CCN(CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001143236729 843724375 /nfs/dbraw/zinc/72/43/75/843724375.db2.gz RXWWSSJLOXIILA-ZIAGYGMSSA-N 0 3 356.467 -0.280 20 0 FBADHN COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)CCN1CCN(C)CC1 ZINC001143236903 843724699 /nfs/dbraw/zinc/72/46/99/843724699.db2.gz CTRRURNCVVOMLN-HNNXBMFYSA-N 0 3 351.451 -0.352 20 0 FBADHN COCCOCCOCCOCCNC(=O)CCN1CCN(C)CC1 ZINC001143237355 843725162 /nfs/dbraw/zinc/72/51/62/843725162.db2.gz LFVJBDMVGZSRST-UHFFFAOYSA-N 0 3 361.483 -0.564 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001143292728 843726280 /nfs/dbraw/zinc/72/62/80/843726280.db2.gz AIDBUNIACFHCIB-AWEZNQCLSA-N 0 3 371.503 -0.130 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001143292739 843726589 /nfs/dbraw/zinc/72/65/89/843726589.db2.gz AIDBUNIACFHCIB-CQSZACIVSA-N 0 3 371.503 -0.130 20 0 FBADHN CN1CCC(C(=O)N(Cc2noc3c2CNCC3)S(C)(=O)=O)CC1 ZINC001143306514 843727485 /nfs/dbraw/zinc/72/74/85/843727485.db2.gz CZHIAYIZJALCIW-UHFFFAOYSA-N 0 3 356.448 -0.050 20 0 FBADHN CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)[O-])[C@H](O)OC(C)(C)C)C1 ZINC001143422700 836021185 /nfs/dbraw/zinc/02/11/85/836021185.db2.gz MREFYNPTPFYCKH-IAGXKZSMSA-N 0 3 361.439 -0.633 20 0 FBADHN CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)[O-])[C@@H](O)OC(C)(C)C)C1 ZINC001143422705 836021982 /nfs/dbraw/zinc/02/19/82/836021982.db2.gz MREFYNPTPFYCKH-NAYUARGSSA-N 0 3 361.439 -0.633 20 0 FBADHN CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)[O-])[C@H](O)OC(C)(C)C)C1 ZINC001143422706 836021430 /nfs/dbraw/zinc/02/14/30/836021430.db2.gz MREFYNPTPFYCKH-QHUBEEEXSA-N 0 3 361.439 -0.633 20 0 FBADHN CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)[O-])[C@@H](O)OC(C)(C)C)C1 ZINC001143422707 836021943 /nfs/dbraw/zinc/02/19/43/836021943.db2.gz MREFYNPTPFYCKH-VSBZFQJLSA-N 0 3 361.439 -0.633 20 0 FBADHN C[C@@H](CNC(=O)CCC(=O)N1CCC(O)CC1)CN1CCN(C)CC1 ZINC001144209516 839829192 /nfs/dbraw/zinc/82/91/92/839829192.db2.gz JCTFRJBVLZNUFK-HNNXBMFYSA-N 0 3 354.495 -0.250 20 0 FBADHN C[C@H](CNC(=O)CCC(=O)N1CCC(O)CC1)CN1CCN(C)CC1 ZINC001144209517 839828624 /nfs/dbraw/zinc/82/86/24/839828624.db2.gz JCTFRJBVLZNUFK-OAHLLOKOSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(CCNC(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001144293706 839834298 /nfs/dbraw/zinc/83/42/98/839834298.db2.gz NIBLDJZWGGEGKP-UHFFFAOYSA-N 0 3 358.439 -0.160 20 0 FBADHN CCN1CCN(CCNC(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)CC1 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FBADHN CC(C)OCCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001150298647 843741330 /nfs/dbraw/zinc/74/13/30/843741330.db2.gz HTDRDFSNPJDCJZ-QLFBSQMISA-N 0 3 357.451 -0.349 20 0 FBADHN CC(C)OCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001150298648 843741315 /nfs/dbraw/zinc/74/13/15/843741315.db2.gz HTDRDFSNPJDCJZ-SOUVJXGZSA-N 0 3 357.451 -0.349 20 0 FBADHN CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC001150437929 843743322 /nfs/dbraw/zinc/74/33/22/843743322.db2.gz UDWXVCUPWPBDBA-GUYCJALGSA-N 0 3 357.451 -0.069 20 0 FBADHN CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCCN2CC[C@H](O)C2)C1 ZINC001150437932 843743718 /nfs/dbraw/zinc/74/37/18/843743718.db2.gz UDWXVCUPWPBDBA-SUMWQHHRSA-N 0 3 357.451 -0.069 20 0 FBADHN CN1CCn2nc(C(=O)N[C@H]3CCN(CC(C)(C)O)C3)cc2S1(=O)=O ZINC001151103908 843749378 /nfs/dbraw/zinc/74/93/78/843749378.db2.gz OFKAYMNXJNMRHF-NSHDSACASA-N 0 3 371.463 -0.908 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC001151104334 843749580 /nfs/dbraw/zinc/74/95/80/843749580.db2.gz SSDUSHPGHPYWRY-NSHDSACASA-N 0 3 356.448 -0.388 20 0 FBADHN C[C@@H](CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)S(N)(=O)=O ZINC001151237000 843751208 /nfs/dbraw/zinc/75/12/08/843751208.db2.gz QHZUGGSHJWPWAE-JTQLQIEISA-N 0 3 369.447 -0.290 20 0 FBADHN C[C@H](CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)S(N)(=O)=O ZINC001151237001 843750955 /nfs/dbraw/zinc/75/09/55/843750955.db2.gz QHZUGGSHJWPWAE-SNVBAGLBSA-N 0 3 369.447 -0.290 20 0 FBADHN COCCN1CCC(CCOC)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001151302489 840445860 /nfs/dbraw/zinc/44/58/60/840445860.db2.gz KYMQMYCAMQBSTF-UONOGXRCSA-N 0 3 357.451 -0.347 20 0 FBADHN COCCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CCOCCO)CC1 ZINC001151307692 843751624 /nfs/dbraw/zinc/75/16/24/843751624.db2.gz CJVQNWBFEKJGQA-KGLIPLIRSA-N 0 3 357.451 -0.896 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 ZINC001151861454 843757509 /nfs/dbraw/zinc/75/75/09/843757509.db2.gz QNEMPBICCONNJO-AWEZNQCLSA-N 0 3 355.460 -0.156 20 0 FBADHN 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/nfs/dbraw/zinc/77/45/00/843774500.db2.gz QPFIRAVPNUWMRP-ZDUSSCGKSA-N 0 3 351.451 -0.138 20 0 FBADHN CS(=O)(=O)N1CC(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001153452334 843774459 /nfs/dbraw/zinc/77/44/59/843774459.db2.gz UPCUZSNCDNQIOP-UHFFFAOYSA-N 0 3 372.491 -0.790 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001153452405 843774739 /nfs/dbraw/zinc/77/47/39/843774739.db2.gz WSTQGRYIXPAGIB-GFCCVEGCSA-N 0 3 360.480 -0.744 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001153452406 843774564 /nfs/dbraw/zinc/77/45/64/843774564.db2.gz WSTQGRYIXPAGIB-LBPRGKRZSA-N 0 3 360.480 -0.744 20 0 FBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001153452498 843774525 /nfs/dbraw/zinc/77/45/25/843774525.db2.gz YLROVWONINPYBN-UHFFFAOYSA-N 0 3 358.464 -0.860 20 0 FBADHN Cc1nn(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(=O)o1 ZINC001153452620 843774882 /nfs/dbraw/zinc/77/48/82/843774882.db2.gz YVDPAXBCQLRNLP-UHFFFAOYSA-N 0 3 351.407 -0.523 20 0 FBADHN Cc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)cc1S(N)(=O)=O ZINC001153776321 843777357 /nfs/dbraw/zinc/77/73/57/843777357.db2.gz ALVXGYXRBJKGBK-UONOGXRCSA-N 0 3 353.444 -0.076 20 0 FBADHN CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)o1 ZINC001153777228 843777603 /nfs/dbraw/zinc/77/76/03/843777603.db2.gz KQHFOBNIWWHDIY-NWDGAFQWSA-N 0 3 357.432 -0.189 20 0 FBADHN NS(=O)(=O)Cc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c1 ZINC001153780712 843777386 /nfs/dbraw/zinc/77/73/86/843777386.db2.gz UBTXAWASWOEEDL-LSDHHAIUSA-N 0 3 353.444 -0.244 20 0 FBADHN CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001153879494 843779258 /nfs/dbraw/zinc/77/92/58/843779258.db2.gz HJXGGTQZMMPQMU-WWGRRREGSA-N 0 3 355.435 -0.234 20 0 FBADHN CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001153879530 843779165 /nfs/dbraw/zinc/77/91/65/843779165.db2.gz IEQYSYNJUUIDJB-DYEKYZERSA-N 0 3 356.423 -0.831 20 0 FBADHN CCN(CCNS(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001153894855 843779443 /nfs/dbraw/zinc/77/94/43/843779443.db2.gz GSZIZPQIADDGAJ-JHJVBQTASA-N 0 3 357.480 -0.111 20 0 FBADHN CCN(CC(=O)NC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001153897836 843779907 /nfs/dbraw/zinc/77/99/07/843779907.db2.gz YZLQUJSLXSJEHL-IJLUTSLNSA-N 0 3 350.423 -0.205 20 0 FBADHN CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001153998065 843783654 /nfs/dbraw/zinc/78/36/54/843783654.db2.gz GWBSMOCZCOMYQJ-RBSFLKMASA-N 0 3 355.483 -0.443 20 0 FBADHN CCN(Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001153998463 843783750 /nfs/dbraw/zinc/78/37/50/843783750.db2.gz SAAMBDHCGDEVLG-JHJVBQTASA-N 0 3 354.455 -0.846 20 0 FBADHN CC(C)(C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)N1CCCCC1 ZINC001153999946 843783714 /nfs/dbraw/zinc/78/37/14/843783714.db2.gz PTJNGFWYUAILHQ-UHFFFAOYSA-N 0 3 370.479 -0.098 20 0 FBADHN CCN(CCNS(C)(=O)=O)[C@H](C)CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001154020834 843784706 /nfs/dbraw/zinc/78/47/06/843784706.db2.gz QWJMFZSFVPOYAS-MGPQQGTHSA-N 0 3 364.512 -0.919 20 0 FBADHN [NH3+]CCN(CCNC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1)N(O)N=O ZINC001154318374 843789603 /nfs/dbraw/zinc/78/96/03/843789603.db2.gz LSNMJMAMCBRKKH-UHFFFAOYSA-N 0 3 351.323 -0.681 20 0 FBADHN [NH3+]CCN(CCNC(=O)c1ccc2c(=O)[nH][n-]c(=O)c2c1)N(O)N=O ZINC001154318374 843789598 /nfs/dbraw/zinc/78/95/98/843789598.db2.gz LSNMJMAMCBRKKH-UHFFFAOYSA-N 0 3 351.323 -0.681 20 0 FBADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC001154801554 843795636 /nfs/dbraw/zinc/79/56/36/843795636.db2.gz GEBLNRXBQFXCHC-GFCCVEGCSA-N 0 3 357.480 -0.336 20 0 FBADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC001154801555 843795766 /nfs/dbraw/zinc/79/57/66/843795766.db2.gz GEBLNRXBQFXCHC-LBPRGKRZSA-N 0 3 357.480 -0.336 20 0 FBADHN CCN(CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001155221322 843803930 /nfs/dbraw/zinc/80/39/30/843803930.db2.gz HXGGGAPWXXHTDZ-HZSPNIEDSA-N 0 3 354.451 -0.532 20 0 FBADHN CCN(CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001155221775 843803608 /nfs/dbraw/zinc/80/36/08/843803608.db2.gz NMUYARHNZCVTOK-KWCYVHTRSA-N 0 3 354.451 -0.628 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCN(C)CCO)[C@H](C)O)cc1 ZINC001155250689 843804396 /nfs/dbraw/zinc/80/43/96/843804396.db2.gz AXULTDULZNOEMW-DZGCQCFKSA-N 0 3 373.475 -0.937 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCN(C)CCO)[C@@H](C)O)cc1 ZINC001155250690 843805551 /nfs/dbraw/zinc/80/55/51/843805551.db2.gz AXULTDULZNOEMW-HIFRSBDPSA-N 0 3 373.475 -0.937 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCN(C)CCO)[C@@H](C)O)cc1 ZINC001155250692 843804428 /nfs/dbraw/zinc/80/44/28/843804428.db2.gz AXULTDULZNOEMW-UKRRQHHQSA-N 0 3 373.475 -0.937 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCN(C)CCO)[C@H](C)O)cc1 ZINC001155250697 843805488 /nfs/dbraw/zinc/80/54/88/843805488.db2.gz AXULTDULZNOEMW-ZFWWWQNUSA-N 0 3 373.475 -0.937 20 0 FBADHN CN(CCO)CCNC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC001155251053 843804728 /nfs/dbraw/zinc/80/47/28/843804728.db2.gz GPNJMYHUBVFEEO-KRWDZBQOSA-N 0 3 354.451 -0.083 20 0 FBADHN CN(CCO)CCNC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC001155251056 843804808 /nfs/dbraw/zinc/80/48/08/843804808.db2.gz GPNJMYHUBVFEEO-QGZVFWFLSA-N 0 3 354.451 -0.083 20 0 FBADHN CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001155269233 843805165 /nfs/dbraw/zinc/80/51/65/843805165.db2.gz SQJLQBVIFHWCQY-MCIONIFRSA-N 0 3 353.467 -0.260 20 0 FBADHN CCN(CC1CCS(=O)(=O)CC1)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001155273346 843804355 /nfs/dbraw/zinc/80/43/55/843804355.db2.gz OIOHRYHWMKAXEV-BNOWGMLFSA-N 0 3 359.492 -0.241 20 0 FBADHN CCN(CCCS(=O)(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001155273354 843804682 /nfs/dbraw/zinc/80/46/82/843804682.db2.gz PADHUJNTANFFIO-UPJWGTAASA-N 0 3 362.496 -0.784 20 0 FBADHN CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001155306501 843806347 /nfs/dbraw/zinc/80/63/47/843806347.db2.gz BYZULPZHDUYCRH-HZSPNIEDSA-N 0 3 353.467 -0.438 20 0 FBADHN COc1cc(NCc2nnn3c2CNCCC3)nc(S(C)(=O)=O)n1 ZINC001155394042 843807658 /nfs/dbraw/zinc/80/76/58/843807658.db2.gz OXWNMWBYEOONNR-UHFFFAOYSA-N 0 3 353.408 -0.414 20 0 FBADHN CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001155394920 843807926 /nfs/dbraw/zinc/80/79/26/843807926.db2.gz ZPJNBFZLNSCWES-SYQHCUMBSA-N 0 3 352.435 -0.068 20 0 FBADHN CCOC(=O)c1cnc(N(C)S(=O)(=O)CCN)nc1C(=O)OCC ZINC001156232545 839252155 /nfs/dbraw/zinc/25/21/55/839252155.db2.gz XLBMBKGCHMZVDM-UHFFFAOYSA-N 0 3 360.392 -0.445 20 0 FBADHN CN(c1nc2scnc2c(N2CCOCC2)n1)S(=O)(=O)CCN ZINC001156236774 839252132 /nfs/dbraw/zinc/25/21/32/839252132.db2.gz PUNVAGYSYNUXPS-UHFFFAOYSA-N 0 3 358.449 -0.352 20 0 FBADHN COC(=O)C1CCN(c2ccc(N(C)S(=O)(=O)CCN)nn2)CC1 ZINC001156236868 839251744 /nfs/dbraw/zinc/25/17/44/839251744.db2.gz UCJDASXFEJFVPX-UHFFFAOYSA-N 0 3 357.436 -0.409 20 0 FBADHN CN(c1ccc(S(=O)(=O)N2CCCCC2)cn1)S(=O)(=O)CCN ZINC001156237907 843820401 /nfs/dbraw/zinc/82/04/01/843820401.db2.gz CSXJRXYMSRVEQC-UHFFFAOYSA-N 0 3 362.477 -0.019 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(N(C)S(=O)(=O)CCN)nc1 ZINC001156237926 843820600 /nfs/dbraw/zinc/82/06/00/843820600.db2.gz DMMFMXQWYUXGAC-UHFFFAOYSA-N 0 3 350.466 -0.163 20 0 FBADHN COC(=O)C1CCN(c2nccnc2N(C)S(=O)(=O)CCN)CC1 ZINC001156237945 843821058 /nfs/dbraw/zinc/82/10/58/843821058.db2.gz FJFZNZZHVPPOJF-UHFFFAOYSA-N 0 3 357.436 -0.409 20 0 FBADHN CN(c1ncc(C(=O)N2CCOCC2)cc1Cl)S(=O)(=O)CCN ZINC001156238238 843821260 /nfs/dbraw/zinc/82/12/60/843821260.db2.gz FWZRWHKWTVPCKB-UHFFFAOYSA-N 0 3 362.839 -0.068 20 0 FBADHN CCOC(=O)C1CCN(c2ccc(N(C)S(=O)(=O)CCN)nn2)CC1 ZINC001156239247 839253498 /nfs/dbraw/zinc/25/34/98/839253498.db2.gz TZAYRNLBBFHNMG-UHFFFAOYSA-N 0 3 371.463 -0.019 20 0 FBADHN CN(c1nc(N2CCCC2)nc(N2CCCC2)n1)S(=O)(=O)CCN ZINC001156239598 843820355 /nfs/dbraw/zinc/82/03/55/843820355.db2.gz VPEYQXFKYQGNIT-UHFFFAOYSA-N 0 3 355.468 -0.203 20 0 FBADHN COC(=O)C1CCN(c2ccnc(N(C)S(=O)(=O)CCN)n2)CC1 ZINC001156239605 843820805 /nfs/dbraw/zinc/82/08/05/843820805.db2.gz VYPKYOKXODLLMG-UHFFFAOYSA-N 0 3 357.436 -0.409 20 0 FBADHN CCOC(=O)c1cnc([S@](C)=O)nc1N(C)S(=O)(=O)CCN ZINC001156239612 839253464 /nfs/dbraw/zinc/25/34/64/839253464.db2.gz WGLKKIBLCUYZSQ-NRFANRHFSA-N 0 3 350.422 -0.885 20 0 FBADHN CCOC(=O)c1cnc([S@@](C)=O)nc1N(C)S(=O)(=O)CCN ZINC001156239613 839252745 /nfs/dbraw/zinc/25/27/45/839252745.db2.gz WGLKKIBLCUYZSQ-OAQYLSRUSA-N 0 3 350.422 -0.885 20 0 FBADHN CCOC(=O)c1cnc(N2CCOCC2)nc1N(C)S(=O)(=O)CCN ZINC001156239664 843821140 /nfs/dbraw/zinc/82/11/40/843821140.db2.gz YZDAFBKXLMHPHT-UHFFFAOYSA-N 0 3 373.435 -0.785 20 0 FBADHN CN(c1ncccc1S(=O)(=O)N1CCCCC1)S(=O)(=O)CCN ZINC001156240098 843820896 /nfs/dbraw/zinc/82/08/96/843820896.db2.gz GRGQFERNGKPHCB-UHFFFAOYSA-N 0 3 362.477 -0.019 20 0 FBADHN CS(=O)(=O)c1nc2c(c(NCCCc3c[n-][nH]c3=O)n1)CC[NH2+]CC2 ZINC001156277573 843820480 /nfs/dbraw/zinc/82/04/80/843820480.db2.gz HSZSTFIGHFREEV-JTQLQIEISA-N 0 3 366.447 -0.508 20 0 FBADHN CS(=O)(=O)c1nc2c(c(NCCCc3c[n-][nH]c3=O)n1)CC[NH2+]CC2 ZINC001156277574 843820575 /nfs/dbraw/zinc/82/05/75/843820575.db2.gz HSZSTFIGHFREEV-SNVBAGLBSA-N 0 3 366.447 -0.508 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cn1 ZINC001156910745 843830611 /nfs/dbraw/zinc/83/06/11/843830611.db2.gz CJIMPYSHVRTTLR-CYBMUJFWSA-N 0 3 354.432 -0.288 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cn1 ZINC001156910746 843829956 /nfs/dbraw/zinc/82/99/56/843829956.db2.gz CJIMPYSHVRTTLR-ZDUSSCGKSA-N 0 3 354.432 -0.288 20 0 FBADHN O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157004686 843830148 /nfs/dbraw/zinc/83/01/48/843830148.db2.gz AHZCPSATQNGMGA-GFCCVEGCSA-N 0 3 357.407 -0.307 20 0 FBADHN O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CC(N[C@H]2CCOC2)C1 ZINC001157004687 843830456 /nfs/dbraw/zinc/83/04/56/843830456.db2.gz AHZCPSATQNGMGA-LBPRGKRZSA-N 0 3 357.407 -0.307 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001157004726 843829898 /nfs/dbraw/zinc/82/98/98/843829898.db2.gz BQSITHHOZBBCHE-LLVKDONJSA-N 0 3 356.423 -0.783 20 0 FBADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001157004727 843829740 /nfs/dbraw/zinc/82/97/40/843829740.db2.gz BQSITHHOZBBCHE-NSHDSACASA-N 0 3 356.423 -0.783 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001157004764 843829802 /nfs/dbraw/zinc/82/98/02/843829802.db2.gz CKPRVZGRYUGRAO-MRVPVSSYSA-N 0 3 373.207 -0.699 20 0 FBADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001157004765 843829814 /nfs/dbraw/zinc/82/98/14/843829814.db2.gz CKPRVZGRYUGRAO-QMMMGPOBSA-N 0 3 373.207 -0.699 20 0 FBADHN CN(CC(=O)N1CC(N[C@@H]2CCOC2)C1)S(=O)(=O)c1cccnc1 ZINC001157005122 843830108 /nfs/dbraw/zinc/83/01/08/843830108.db2.gz DVBHMRCGWPLLHI-GFCCVEGCSA-N 0 3 354.432 -0.709 20 0 FBADHN CN(CC(=O)N1CC(N[C@H]2CCOC2)C1)S(=O)(=O)c1cccnc1 ZINC001157005123 843830090 /nfs/dbraw/zinc/83/00/90/843830090.db2.gz DVBHMRCGWPLLHI-LBPRGKRZSA-N 0 3 354.432 -0.709 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001157005128 843832384 /nfs/dbraw/zinc/83/23/84/843832384.db2.gz FDAQQBQEPGYMOC-GFCCVEGCSA-N 0 3 350.419 -0.170 20 0 FBADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001157005129 843831423 /nfs/dbraw/zinc/83/14/23/843831423.db2.gz FDAQQBQEPGYMOC-LBPRGKRZSA-N 0 3 350.419 -0.170 20 0 FBADHN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001157007400 843831623 /nfs/dbraw/zinc/83/16/23/843831623.db2.gz WUQSTIMAHUQFTQ-HZMBPMFUSA-N 0 3 352.416 -0.694 20 0 FBADHN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001157007401 843831364 /nfs/dbraw/zinc/83/13/64/843831364.db2.gz WUQSTIMAHUQFTQ-IINYFYTJSA-N 0 3 352.416 -0.694 20 0 FBADHN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157007402 843831525 /nfs/dbraw/zinc/83/15/25/843831525.db2.gz WUQSTIMAHUQFTQ-QMTHXVAHSA-N 0 3 352.416 -0.694 20 0 FBADHN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157007403 843831004 /nfs/dbraw/zinc/83/10/04/843831004.db2.gz WUQSTIMAHUQFTQ-YGRLFVJLSA-N 0 3 352.416 -0.694 20 0 FBADHN Cn1c2sc(C(=O)N3CC(N[C@@H]4CCOC4)C3)cc2c(=O)n(C)c1=O ZINC001157012031 843832499 /nfs/dbraw/zinc/83/24/99/843832499.db2.gz AJVLDLHFCKZKSB-SECBINFHSA-N 0 3 364.427 -0.498 20 0 FBADHN Cn1c2sc(C(=O)N3CC(N[C@H]4CCOC4)C3)cc2c(=O)n(C)c1=O ZINC001157012032 843831243 /nfs/dbraw/zinc/83/12/43/843831243.db2.gz AJVLDLHFCKZKSB-VIFPVBQESA-N 0 3 364.427 -0.498 20 0 FBADHN NS(=O)(=O)c1nc(C(=O)N2CC(N[C@H]3CCOC3)C2)n2ccccc12 ZINC001157012713 843832299 /nfs/dbraw/zinc/83/22/99/843832299.db2.gz LQDXVFSTIBQHEW-JTQLQIEISA-N 0 3 365.415 -0.815 20 0 FBADHN NS(=O)(=O)c1nc(C(=O)N2CC(N[C@@H]3CCOC3)C2)n2ccccc12 ZINC001157012714 843831750 /nfs/dbraw/zinc/83/17/50/843831750.db2.gz LQDXVFSTIBQHEW-SNVBAGLBSA-N 0 3 365.415 -0.815 20 0 FBADHN CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CC(N[C@H]3CCOC3)C2)c1 ZINC001157012715 843831559 /nfs/dbraw/zinc/83/15/59/843831559.db2.gz LUEXIIOZGJJQCI-JTQLQIEISA-N 0 3 355.416 -0.216 20 0 FBADHN CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001157012716 843832342 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FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935302 843851008 /nfs/dbraw/zinc/85/10/08/843851008.db2.gz TUFKAGQRWZKZQK-GARJFASQSA-N 0 3 355.357 -0.636 20 0 FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935303 843851220 /nfs/dbraw/zinc/85/12/20/843851220.db2.gz TUFKAGQRWZKZQK-OUAUKWLOSA-N 0 3 355.357 -0.636 20 0 FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935304 843851233 /nfs/dbraw/zinc/85/12/33/843851233.db2.gz TUFKAGQRWZKZQK-VWYCJHECSA-N 0 3 355.357 -0.636 20 0 FBADHN C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C[C@@H]1O ZINC001157943090 843850989 /nfs/dbraw/zinc/85/09/89/843850989.db2.gz BDABQSIQLYXQRT-COPLHBTASA-N 0 3 369.384 -0.246 20 0 FBADHN C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C[C@H]1O ZINC001157943091 843850755 /nfs/dbraw/zinc/85/07/55/843850755.db2.gz BDABQSIQLYXQRT-MISXGVKJSA-N 0 3 369.384 -0.246 20 0 FBADHN C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C[C@@H]1O ZINC001157943092 843850625 /nfs/dbraw/zinc/85/06/25/843850625.db2.gz BDABQSIQLYXQRT-MJVIPROJSA-N 0 3 369.384 -0.246 20 0 FBADHN C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C[C@H]1O ZINC001157943093 843850850 /nfs/dbraw/zinc/85/08/50/843850850.db2.gz BDABQSIQLYXQRT-WDMOLILDSA-N 0 3 369.384 -0.246 20 0 FBADHN Cc1cc(O)cc(=O)n1CC(=O)NCC(=O)NCCN1CCCCC1 ZINC001157970942 843852177 /nfs/dbraw/zinc/85/21/77/843852177.db2.gz BRNDOBFSDQSMGZ-UHFFFAOYSA-N 0 3 350.419 -0.419 20 0 FBADHN CS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cn1 ZINC001157971157 843851800 /nfs/dbraw/zinc/85/18/00/843851800.db2.gz HFUMANKETYWZKX-UHFFFAOYSA-N 0 3 368.459 -0.183 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cn1 ZINC001157971306 843852097 /nfs/dbraw/zinc/85/20/97/843852097.db2.gz JBHWDVXRUQSSGC-UHFFFAOYSA-N 0 3 369.447 -0.939 20 0 FBADHN CN(C)c1noc(CCC(=O)NCC(=O)NCCN2CCCCC2)n1 ZINC001157971310 843852335 /nfs/dbraw/zinc/85/23/35/843852335.db2.gz JJQREKPDTYQJRI-UHFFFAOYSA-N 0 3 352.439 -0.214 20 0 FBADHN CC(C)(C)n1nnc(CC(=O)NCC(=O)NCCN2CCCCC2)n1 ZINC001157971796 843851836 /nfs/dbraw/zinc/85/18/36/843851836.db2.gz UUWUXABDHUFMFZ-UHFFFAOYSA-N 0 3 351.455 -0.311 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157981343 843851733 /nfs/dbraw/zinc/85/17/33/843851733.db2.gz BFSNAOSFRNQUSJ-ONGXEEELSA-N 0 3 352.357 -0.291 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N2CCN(C(=O)C(F)(F)F)CC2)C1=O ZINC001157982065 843851634 /nfs/dbraw/zinc/85/16/34/843851634.db2.gz IFJPRDYPHCKARH-JTQLQIEISA-N 0 3 350.341 -0.441 20 0 FBADHN CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001158189969 843855193 /nfs/dbraw/zinc/85/51/93/843855193.db2.gz AKHNTDLYTJYAIF-FNODVLLQSA-N 0 3 356.448 -0.112 20 0 FBADHN CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001158189970 843855479 /nfs/dbraw/zinc/85/54/79/843855479.db2.gz AKHNTDLYTJYAIF-MCFWBGNESA-N 0 3 356.448 -0.112 20 0 FBADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC)C1 ZINC001158235505 843855949 /nfs/dbraw/zinc/85/59/49/843855949.db2.gz NFEHTLPMZIBKFN-PRXAMGSTSA-N 0 3 356.419 -0.046 20 0 FBADHN Cc1nnc(NC(=O)CNCCCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)s1 ZINC001158264327 843857258 /nfs/dbraw/zinc/85/72/58/843857258.db2.gz PNIJTSNDNFJVRA-MWLCHTKSSA-N 0 3 368.463 -0.204 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001158264438 843856575 /nfs/dbraw/zinc/85/65/75/843856575.db2.gz TYDOQADINFMQKH-NXEZZACHSA-N 0 3 354.436 -0.513 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)no1 ZINC001158264667 843857969 /nfs/dbraw/zinc/85/79/69/843857969.db2.gz WRRJMURIOIRVGA-ZYHUDNBSSA-N 0 3 351.407 -0.068 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)on1 ZINC001158264749 843857828 /nfs/dbraw/zinc/85/78/28/843857828.db2.gz ZEKDKADEUCNTPV-ZYHUDNBSSA-N 0 3 351.407 -0.068 20 0 FBADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326099 843858619 /nfs/dbraw/zinc/85/86/19/843858619.db2.gz GVBKDKPBOPZHOJ-LBPRGKRZSA-N 0 3 355.435 -0.186 20 0 FBADHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327290 843858422 /nfs/dbraw/zinc/85/84/22/843858422.db2.gz XOPOMUHDPZJZAR-GFCCVEGCSA-N 0 3 355.435 -0.057 20 0 FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC001158369974 843858973 /nfs/dbraw/zinc/85/89/73/843858973.db2.gz NFSQNUULFCFACD-VIFPVBQESA-N 0 3 359.370 -0.581 20 0 FBADHN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cncn1C)C2 ZINC001158413947 843862198 /nfs/dbraw/zinc/86/21/98/843862198.db2.gz CRDHZWAMBPXZIQ-JJRVBVJISA-N 0 3 350.419 -0.139 20 0 FBADHN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001158416112 843861922 /nfs/dbraw/zinc/86/19/22/843861922.db2.gz RJTRBBGSVNQDHX-XHBSWPGZSA-N 0 3 356.423 -0.667 20 0 FBADHN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)C1CCC(O)CC1)C2 ZINC001158431564 843862313 /nfs/dbraw/zinc/86/23/13/843862313.db2.gz RCUGPHTWAQXGCV-XIVSLSHWSA-N 0 3 351.407 -0.325 20 0 FBADHN CC(C)(C)NC(=O)CNC(=O)CNCCCNC(=O)[C@]12C[C@H]1COC2 ZINC001158458982 843863379 /nfs/dbraw/zinc/86/33/79/843863379.db2.gz XJDIYOPLLHYCKS-SJCJKPOMSA-N 0 3 354.451 -0.850 20 0 FBADHN CN(CCOCCO)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001158468305 843863730 /nfs/dbraw/zinc/86/37/30/843863730.db2.gz RXQOLENQPRSXJY-QLFBSQMISA-N 0 3 357.451 -0.659 20 0 FBADHN CN(CCN1CCNC1=O)C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001158486448 843864570 /nfs/dbraw/zinc/86/45/70/843864570.db2.gz CVGGSSVTBBTIMA-MCIONIFRSA-N 0 3 351.451 -0.554 20 0 FBADHN CN(CCNC(=O)C1CC1)C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001158487134 843864199 /nfs/dbraw/zinc/86/41/99/843864199.db2.gz SKVLXPCWIXEPFC-KFWWJZLASA-N 0 3 350.463 -0.053 20 0 FBADHN CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001158515749 843865223 /nfs/dbraw/zinc/86/52/23/843865223.db2.gz DIPIWILGNSWYBH-IHRRRGAJSA-N 0 3 357.451 -0.070 20 0 FBADHN CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001158515750 843865377 /nfs/dbraw/zinc/86/53/77/843865377.db2.gz DIPIWILGNSWYBH-MCIONIFRSA-N 0 3 357.451 -0.070 20 0 FBADHN CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001158515751 843865751 /nfs/dbraw/zinc/86/57/51/843865751.db2.gz DIPIWILGNSWYBH-MJBXVCDLSA-N 0 3 357.451 -0.070 20 0 FBADHN CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001158515752 843865603 /nfs/dbraw/zinc/86/56/03/843865603.db2.gz DIPIWILGNSWYBH-RDBSUJKOSA-N 0 3 357.451 -0.070 20 0 FBADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001158517509 843865197 /nfs/dbraw/zinc/86/51/97/843865197.db2.gz WSANOBFDPPSKMU-KBPBESRZSA-N 0 3 356.448 -0.421 20 0 FBADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001158517512 843865559 /nfs/dbraw/zinc/86/55/59/843865559.db2.gz WSANOBFDPPSKMU-KGLIPLIRSA-N 0 3 356.448 -0.421 20 0 FBADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001158517515 843865178 /nfs/dbraw/zinc/86/51/78/843865178.db2.gz WSANOBFDPPSKMU-UONOGXRCSA-N 0 3 356.448 -0.421 20 0 FBADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001158517518 843865103 /nfs/dbraw/zinc/86/51/03/843865103.db2.gz WSANOBFDPPSKMU-ZIAGYGMSSA-N 0 3 356.448 -0.421 20 0 FBADHN CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001158533043 843865870 /nfs/dbraw/zinc/86/58/70/843865870.db2.gz HKIZAJDELZYLKH-GUUCOKDPSA-N 0 3 353.419 -0.149 20 0 FBADHN CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001158533045 843865295 /nfs/dbraw/zinc/86/52/95/843865295.db2.gz HKIZAJDELZYLKH-JJHQXXDFSA-N 0 3 353.419 -0.149 20 0 FBADHN COCCN1CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)CC1 ZINC001158604491 843866569 /nfs/dbraw/zinc/86/65/69/843866569.db2.gz OIUFCHDATJIPAM-LBPRGKRZSA-N 0 3 368.400 -0.047 20 0 FBADHN C[C@@H](N)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630113 843866707 /nfs/dbraw/zinc/86/67/07/843866707.db2.gz LXSIQQXDLHKWSG-GFCCVEGCSA-N 0 3 350.423 -0.503 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158699214 843867190 /nfs/dbraw/zinc/86/71/90/843867190.db2.gz YHQUUHDVXHGNRT-QVMJJKQXSA-N 0 3 371.503 -0.289 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158699217 843867517 /nfs/dbraw/zinc/86/75/17/843867517.db2.gz YHQUUHDVXHGNRT-TYYAMOPMSA-N 0 3 371.503 -0.289 20 0 FBADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001158734817 843868346 /nfs/dbraw/zinc/86/83/46/843868346.db2.gz FVWFGVYAGOZCJT-ONGXEEELSA-N 0 3 360.411 -0.301 20 0 FBADHN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001158788854 843868908 /nfs/dbraw/zinc/86/89/08/843868908.db2.gz ALIOEVQSEJLNPZ-GHMZBOCLSA-N 0 3 353.427 -0.854 20 0 FBADHN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001158788857 843869278 /nfs/dbraw/zinc/86/92/78/843869278.db2.gz ALIOEVQSEJLNPZ-WDEREUQCSA-N 0 3 353.427 -0.854 20 0 FBADHN COc1ccc2c(C[C@H](N)C(=O)N(C)C[C@H](O)CO)cc(=O)oc2c1 ZINC001158799843 843869724 /nfs/dbraw/zinc/86/97/24/843869724.db2.gz PRIZBDIBHIUAEC-FZMZJTMJSA-N 0 3 350.371 -0.517 20 0 FBADHN COc1ccc2c(C[C@H](N)C(=O)N(C)C[C@@H](O)CO)cc(=O)oc2c1 ZINC001158799844 843869583 /nfs/dbraw/zinc/86/95/83/843869583.db2.gz PRIZBDIBHIUAEC-RISCZKNCSA-N 0 3 350.371 -0.517 20 0 FBADHN CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C[C@H]21 ZINC001158804110 843870041 /nfs/dbraw/zinc/87/00/41/843870041.db2.gz LDKUFWJZZBBOJP-TUAOUCFPSA-N 0 3 366.384 -0.296 20 0 FBADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@@H](F)CCN1)CC2 ZINC001158811005 843870005 /nfs/dbraw/zinc/87/00/05/843870005.db2.gz NMNMAJJBXPAQDD-IHRRRGAJSA-N 0 3 357.426 -0.011 20 0 FBADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@@H](F)CCN1)CC2 ZINC001158811006 843869542 /nfs/dbraw/zinc/86/95/42/843869542.db2.gz NMNMAJJBXPAQDD-MJBXVCDLSA-N 0 3 357.426 -0.011 20 0 FBADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)C(N)C(F)(F)F)CC2 ZINC001158811043 843869928 /nfs/dbraw/zinc/86/99/28/843869928.db2.gz OGRYHPLPUOYLOY-GXSJLCMTSA-N 0 3 353.341 -0.211 20 0 FBADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)C(N)C(F)(F)F)CC2 ZINC001158811044 843869455 /nfs/dbraw/zinc/86/94/55/843869455.db2.gz OGRYHPLPUOYLOY-KOLCDFICSA-N 0 3 353.341 -0.211 20 0 FBADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)C(N)C(F)(F)F)CC2 ZINC001158811045 843869766 /nfs/dbraw/zinc/86/97/66/843869766.db2.gz OGRYHPLPUOYLOY-MWLCHTKSSA-N 0 3 353.341 -0.211 20 0 FBADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)C(N)C(F)(F)F)CC2 ZINC001158811046 843870166 /nfs/dbraw/zinc/87/01/66/843870166.db2.gz OGRYHPLPUOYLOY-ONGXEEELSA-N 0 3 353.341 -0.211 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158811574 843869649 /nfs/dbraw/zinc/86/96/49/843869649.db2.gz XDUBLMCQSLBQAA-UBEUCRAJSA-N 0 3 371.503 -0.289 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158811575 843869907 /nfs/dbraw/zinc/86/99/07/843869907.db2.gz XDUBLMCQSLBQAA-WHHDHFICSA-N 0 3 371.503 -0.289 20 0 FBADHN O=C([C@@H]1C[C@@H](F)CCN1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821613 843870664 /nfs/dbraw/zinc/87/06/64/843870664.db2.gz NSYPPWKHLSTJMH-STQMWFEESA-N 0 3 352.414 -0.457 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158822349 843871142 /nfs/dbraw/zinc/87/11/42/843871142.db2.gz UOJDXIGMQNFSQW-FNODVLLQSA-N 0 3 351.432 -0.100 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158822350 843870725 /nfs/dbraw/zinc/87/07/25/843870725.db2.gz UOJDXIGMQNFSQW-MCFWBGNESA-N 0 3 351.432 -0.100 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)CC[C@H](N)C(=O)OC)CC2 ZINC001158890133 843870556 /nfs/dbraw/zinc/87/05/56/843870556.db2.gz AKVKRRIDBGFJTB-ZDUSSCGKSA-N 0 3 354.451 -0.530 20 0 FBADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001158991546 843875476 /nfs/dbraw/zinc/87/54/76/843875476.db2.gz NXBNHGXWYFTBJO-GXSJLCMTSA-N 0 3 363.340 -0.506 20 0 FBADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001158991548 843875302 /nfs/dbraw/zinc/87/53/02/843875302.db2.gz NXBNHGXWYFTBJO-KOLCDFICSA-N 0 3 363.340 -0.506 20 0 FBADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001158991550 843875582 /nfs/dbraw/zinc/87/55/82/843875582.db2.gz NXBNHGXWYFTBJO-MWLCHTKSSA-N 0 3 363.340 -0.506 20 0 FBADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001158991551 843875615 /nfs/dbraw/zinc/87/56/15/843875615.db2.gz NXBNHGXWYFTBJO-ONGXEEELSA-N 0 3 363.340 -0.506 20 0 FBADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)CC(F)F)C1 ZINC001158992216 843875151 /nfs/dbraw/zinc/87/51/51/843875151.db2.gz SZEWQQJQNQPAIP-JQWIXIFHSA-N 0 3 359.377 -0.413 20 0 FBADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)CC(F)F)C1 ZINC001158992217 843875322 /nfs/dbraw/zinc/87/53/22/843875322.db2.gz SZEWQQJQNQPAIP-PWSUYJOCSA-N 0 3 359.377 -0.413 20 0 FBADHN Cn1cc(/C=C\C(=O)NC[C@@H]2CCCCN2CCO)c(=O)n(C)c1=O ZINC001158993784 843875535 /nfs/dbraw/zinc/87/55/35/843875535.db2.gz ATYRQCKWEQWNNF-AFNCTOJWSA-N 0 3 350.419 -0.940 20 0 FBADHN Cn1cc(/C=C\C(=O)NC[C@H]2CCCCN2CCO)c(=O)n(C)c1=O ZINC001158993785 843875356 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843880077 /nfs/dbraw/zinc/88/00/77/843880077.db2.gz NDKBUTZWNCSILQ-CHWSQXEVSA-N 0 3 352.439 -0.342 20 0 FBADHN CCOC[C@@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)Cc2cnn(C)c21 ZINC001159394409 843880404 /nfs/dbraw/zinc/88/04/04/843880404.db2.gz NDKBUTZWNCSILQ-QWHCGFSZSA-N 0 3 352.439 -0.342 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC[C@H]2S1(=O)=O ZINC001159402774 843881217 /nfs/dbraw/zinc/88/12/17/843881217.db2.gz DKXPWBLEAZADFS-SKKLXFKPSA-N 0 3 365.521 -0.645 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC[C@H]2S1(=O)=O ZINC001159402775 843881448 /nfs/dbraw/zinc/88/14/48/843881448.db2.gz DKXPWBLEAZADFS-UNHDLIQDSA-N 0 3 365.521 -0.645 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC[C@H]2S1(=O)=O ZINC001159403655 843881145 /nfs/dbraw/zinc/88/11/45/843881145.db2.gz RCVGSCKHVXPORN-KWCYVHTRSA-N 0 3 355.464 -0.448 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC[C@H]2S1(=O)=O ZINC001159403655 843881137 /nfs/dbraw/zinc/88/11/37/843881137.db2.gz RCVGSCKHVXPORN-KWCYVHTRSA-N 0 3 355.464 -0.448 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)[C@H](N)Cc3cnc[nH]3)CC[C@H]2S1(=O)=O ZINC001159403656 843880794 /nfs/dbraw/zinc/88/07/94/843880794.db2.gz RCVGSCKHVXPORN-MRVWCRGKSA-N 0 3 355.464 -0.448 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)[C@H](N)Cc3c[nH]cn3)CC[C@H]2S1(=O)=O ZINC001159403656 843880785 /nfs/dbraw/zinc/88/07/85/843880785.db2.gz RCVGSCKHVXPORN-MRVWCRGKSA-N 0 3 355.464 -0.448 20 0 FBADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)CC(F)F)CC3)CC1 ZINC001159424603 843882042 /nfs/dbraw/zinc/88/20/42/843882042.db2.gz KFKZHJYIZDPADL-ZDUSSCGKSA-N 0 3 356.421 -0.045 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436005 843882161 /nfs/dbraw/zinc/88/21/61/843882161.db2.gz KUZHEMIQRBYIJN-CAOSSQGBSA-N 0 3 351.447 -0.498 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436008 843882402 /nfs/dbraw/zinc/88/24/02/843882402.db2.gz KUZHEMIQRBYIJN-QKPAOTATSA-N 0 3 351.447 -0.498 20 0 FBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436046 843881729 /nfs/dbraw/zinc/88/17/29/843881729.db2.gz LMRVKXSYXBZTCE-LXTVHRRPSA-N 0 3 354.451 -0.053 20 0 FBADHN NC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC(=O)NCc3ccco3)OC[C@H]2C1 ZINC001159443944 843881779 /nfs/dbraw/zinc/88/17/79/843881779.db2.gz JAPLLPOCVHJFTC-REBRKWNGSA-N 0 3 350.419 -0.565 20 0 FBADHN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)C2CCC(O)CC2)C3)n1 ZINC001159472889 843882777 /nfs/dbraw/zinc/88/27/77/843882777.db2.gz ZYPCKMYBPDFQKO-HIXGZKSLSA-N 0 3 350.419 -0.017 20 0 FBADHN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)C(N)C(F)(F)F)C2)C1=O ZINC001159491567 843882892 /nfs/dbraw/zinc/88/28/92/843882892.db2.gz FBAZFEBNGZOBRD-BXUZGUMPSA-N 0 3 364.368 -0.195 20 0 FBADHN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)C(N)C(F)(F)F)C2)C1=O ZINC001159491568 843882573 /nfs/dbraw/zinc/88/25/73/843882573.db2.gz FBAZFEBNGZOBRD-FZMZJTMJSA-N 0 3 364.368 -0.195 20 0 FBADHN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)C(N)C(F)(F)F)C2)C1=O ZINC001159491594 843883271 /nfs/dbraw/zinc/88/32/71/843883271.db2.gz FBAZFEBNGZOBRD-RISCZKNCSA-N 0 3 364.368 -0.195 20 0 FBADHN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)C(N)C(F)(F)F)C2)C1=O ZINC001159491595 843882728 /nfs/dbraw/zinc/88/27/28/843882728.db2.gz FBAZFEBNGZOBRD-SMDDNHRTSA-N 0 3 364.368 -0.195 20 0 FBADHN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H](N)CC(F)F)C2)C1=O ZINC001159491616 843882988 /nfs/dbraw/zinc/88/29/88/843882988.db2.gz FLYGHTOTHJGLGR-MEDUHNTESA-N 0 3 360.405 -0.102 20 0 FBADHN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H](N)CC(F)F)C2)C1=O ZINC001159491654 843883014 /nfs/dbraw/zinc/88/30/14/843883014.db2.gz FLYGHTOTHJGLGR-ZBEGNZNMSA-N 0 3 360.405 -0.102 20 0 FBADHN O=C([C@@H]1C[C@@H](F)CCN1)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493355 843882765 /nfs/dbraw/zinc/88/27/65/843882765.db2.gz MHLUKKBHZXZUQU-JQWIXIFHSA-N 0 3 351.382 -0.186 20 0 FBADHN C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CNCCO1 ZINC001159497960 843883253 /nfs/dbraw/zinc/88/32/53/843883253.db2.gz JYZFGMXQSVHAGZ-GXTWGEPZSA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CNCCO1 ZINC001159497963 843883327 /nfs/dbraw/zinc/88/33/27/843883327.db2.gz JYZFGMXQSVHAGZ-JSGCOSHPSA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CNCCO1 ZINC001159497965 843884236 /nfs/dbraw/zinc/88/42/36/843884236.db2.gz JYZFGMXQSVHAGZ-OCCSQVGLSA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CNCCO1 ZINC001159497967 843884328 /nfs/dbraw/zinc/88/43/28/843884328.db2.gz JYZFGMXQSVHAGZ-TZMCWYRMSA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@@H](Nc1ncccc1S(=O)(=O)N1CCOCC1)[C@H]1CNCCO1 ZINC001159501725 843883733 /nfs/dbraw/zinc/88/37/33/843883733.db2.gz XGCTZLIJSQJQOH-CHWSQXEVSA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@@H](Nc1ncccc1S(=O)(=O)N1CCOCC1)[C@@H]1CNCCO1 ZINC001159501727 843883989 /nfs/dbraw/zinc/88/39/89/843883989.db2.gz XGCTZLIJSQJQOH-OLZOCXBDSA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@H](Nc1ncccc1S(=O)(=O)N1CCOCC1)[C@H]1CNCCO1 ZINC001159501729 843884062 /nfs/dbraw/zinc/88/40/62/843884062.db2.gz XGCTZLIJSQJQOH-QWHCGFSZSA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@H](Nc1ncccc1S(=O)(=O)N1CCOCC1)[C@@H]1CNCCO1 ZINC001159501731 843884270 /nfs/dbraw/zinc/88/42/70/843884270.db2.gz XGCTZLIJSQJQOH-STQMWFEESA-N 0 3 356.448 -0.109 20 0 FBADHN C[C@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)[C@H]1CNCCO1 ZINC001159503393 843884009 /nfs/dbraw/zinc/88/40/09/843884009.db2.gz WZBLEGRFKHWGPL-GXTWGEPZSA-N 0 3 368.459 -0.259 20 0 FBADHN C[C@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)[C@@H]1CNCCO1 ZINC001159503394 843884177 /nfs/dbraw/zinc/88/41/77/843884177.db2.gz WZBLEGRFKHWGPL-JSGCOSHPSA-N 0 3 368.459 -0.259 20 0 FBADHN C[C@@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)[C@@H]1CNCCO1 ZINC001159503395 843884212 /nfs/dbraw/zinc/88/42/12/843884212.db2.gz WZBLEGRFKHWGPL-OCCSQVGLSA-N 0 3 368.459 -0.259 20 0 FBADHN C[C@@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)[C@H]1CNCCO1 ZINC001159503396 843883547 /nfs/dbraw/zinc/88/35/47/843883547.db2.gz WZBLEGRFKHWGPL-TZMCWYRMSA-N 0 3 368.459 -0.259 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515048 843884046 /nfs/dbraw/zinc/88/40/46/843884046.db2.gz NQUKYUQJCCYRCX-UOXLDJKESA-N 0 3 365.463 -0.649 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515049 843883898 /nfs/dbraw/zinc/88/38/98/843883898.db2.gz NQUKYUQJCCYRCX-VDBVYFBLSA-N 0 3 365.463 -0.649 20 0 FBADHN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001159519607 843884096 /nfs/dbraw/zinc/88/40/96/843884096.db2.gz JNOICEIWSMZTRA-UOXLDJKESA-N 0 3 370.479 -0.915 20 0 FBADHN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001159519608 843884360 /nfs/dbraw/zinc/88/43/60/843884360.db2.gz JNOICEIWSMZTRA-VDBVYFBLSA-N 0 3 370.479 -0.915 20 0 FBADHN C[C@@H](N)C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001159528151 843884121 /nfs/dbraw/zinc/88/41/21/843884121.db2.gz FJZNSCOMLYHJAP-KGLIPLIRSA-N 0 3 351.451 -0.458 20 0 FBADHN C[C@@H](N)C(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001159528154 843883699 /nfs/dbraw/zinc/88/36/99/843883699.db2.gz FJZNSCOMLYHJAP-ZIAGYGMSSA-N 0 3 351.451 -0.458 20 0 FBADHN CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001159541197 843884084 /nfs/dbraw/zinc/88/40/84/843884084.db2.gz UFNYNLPNJKJCPK-IFTQNRJZSA-N 0 3 373.519 -0.280 20 0 FBADHN CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001159541198 843884149 /nfs/dbraw/zinc/88/41/49/843884149.db2.gz UFNYNLPNJKJCPK-WUEGBBLHSA-N 0 3 373.519 -0.280 20 0 FBADHN C[C@@H](N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595295 843884625 /nfs/dbraw/zinc/88/46/25/843884625.db2.gz RZSBVOYGJUXHDD-UYHMYPTGSA-N 0 3 366.443 -0.687 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598723 843884516 /nfs/dbraw/zinc/88/45/16/843884516.db2.gz BHLRORSRJVZKPX-BBZIUTGFSA-N 0 3 357.476 -0.776 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598724 843884676 /nfs/dbraw/zinc/88/46/76/843884676.db2.gz BHLRORSRJVZKPX-KLZBLYHSSA-N 0 3 357.476 -0.776 20 0 FBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CN)CC2 ZINC001159623577 843885235 /nfs/dbraw/zinc/88/52/35/843885235.db2.gz VLPAWSOLYWOFFR-JSGCOSHPSA-N 0 3 374.507 -0.906 20 0 FBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CN)CC2 ZINC001159623578 843885114 /nfs/dbraw/zinc/88/51/14/843885114.db2.gz VLPAWSOLYWOFFR-OCCSQVGLSA-N 0 3 374.507 -0.906 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623768 843884553 /nfs/dbraw/zinc/88/45/53/843884553.db2.gz GZSMYELLMPQJBG-RHJRDCDUSA-N 0 3 373.475 -0.605 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623769 843885201 /nfs/dbraw/zinc/88/52/01/843885201.db2.gz GZSMYELLMPQJBG-RXEWCHQCSA-N 0 3 373.475 -0.605 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159642336 843886083 /nfs/dbraw/zinc/88/60/83/843886083.db2.gz DGCXVDXSBOXULR-HWRSSNJWSA-N 0 3 364.475 -0.392 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159642338 843886041 /nfs/dbraw/zinc/88/60/41/843886041.db2.gz DGCXVDXSBOXULR-SXBQZSJRSA-N 0 3 364.475 -0.392 20 0 FBADHN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(=O)[C@@H](N)CN)CC[C@H]2C1=O ZINC001159643757 843885436 /nfs/dbraw/zinc/88/54/36/843885436.db2.gz PBVUKRCENOAUPE-FPCVCCKLSA-N 0 3 352.479 -0.358 20 0 FBADHN CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@@H]32)C1=O ZINC001159687464 843886428 /nfs/dbraw/zinc/88/64/28/843886428.db2.gz BBZANBJNRWFLGS-OUJVXVOMSA-N 0 3 368.503 -0.030 20 0 FBADHN CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@@H]32)C1=O ZINC001159687465 843885704 /nfs/dbraw/zinc/88/57/04/843885704.db2.gz BBZANBJNRWFLGS-PBEWHJRTSA-N 0 3 368.503 -0.030 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H](CO)[C@H](CCO)C2)cn1 ZINC001159694939 843886654 /nfs/dbraw/zinc/88/66/54/843886654.db2.gz BEAOBBDGIVLEBG-MXASKKJJSA-N 0 3 350.463 -0.095 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H](CO)[C@@H](CCO)C2)cn1 ZINC001159694940 843887240 /nfs/dbraw/zinc/88/72/40/843887240.db2.gz BEAOBBDGIVLEBG-ORQFMDKSSA-N 0 3 350.463 -0.095 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H](CO)[C@@H](CCO)C2)cn1 ZINC001159694941 843886950 /nfs/dbraw/zinc/88/69/50/843886950.db2.gz BEAOBBDGIVLEBG-PQEBFOHHSA-N 0 3 350.463 -0.095 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2C[C@H](CO)[C@H](CCO)C2)cn1 ZINC001159694942 843886715 /nfs/dbraw/zinc/88/67/15/843886715.db2.gz BEAOBBDGIVLEBG-SIXLDLHFSA-N 0 3 350.463 -0.095 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159746630 843887424 /nfs/dbraw/zinc/88/74/24/843887424.db2.gz JCGVEMVUIUEZBP-DQMDSTQDSA-N 0 3 371.503 -0.384 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159746631 843888128 /nfs/dbraw/zinc/88/81/28/843888128.db2.gz JCGVEMVUIUEZBP-KFBOSPLFSA-N 0 3 371.503 -0.384 20 0 FBADHN Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C3)CC2=O)cn1 ZINC001159750946 843888012 /nfs/dbraw/zinc/88/80/12/843888012.db2.gz MZMJOXAJDXROAL-ADHMFCJJSA-N 0 3 367.475 -0.529 20 0 FBADHN Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H](N)CC[S@](C)=O)C3)CC2=O)cn1 ZINC001159750947 843887813 /nfs/dbraw/zinc/88/78/13/843887813.db2.gz MZMJOXAJDXROAL-CCLKGCNTSA-N 0 3 367.475 -0.529 20 0 FBADHN Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C3)CC2=O)cn1 ZINC001159750948 843887409 /nfs/dbraw/zinc/88/74/09/843887409.db2.gz MZMJOXAJDXROAL-DXRUEXFKSA-N 0 3 367.475 -0.529 20 0 FBADHN Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H](N)CC[S@](C)=O)C3)CC2=O)cn1 ZINC001159750949 843887955 /nfs/dbraw/zinc/88/79/55/843887955.db2.gz MZMJOXAJDXROAL-VAZLSXMYSA-N 0 3 367.475 -0.529 20 0 FBADHN CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2[n-]cc(S(C)(=O)=O)c21 ZINC001159751198 843888192 /nfs/dbraw/zinc/88/81/92/843888192.db2.gz YYPFOGJHPXPDBY-RKDXNWHRSA-N 0 3 353.404 -0.076 20 0 FBADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4COCN4)C3)O2)CC1 ZINC001159758746 843887773 /nfs/dbraw/zinc/88/77/73/843887773.db2.gz RTMNOGUXFCAHHR-SOLBZPMBSA-N 0 3 352.479 -0.280 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159770426 843888875 /nfs/dbraw/zinc/88/88/75/843888875.db2.gz RWGQZEVVVBEPHY-DMQXLCCJSA-N 0 3 357.476 -0.633 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159770427 843888485 /nfs/dbraw/zinc/88/84/85/843888485.db2.gz RWGQZEVVVBEPHY-JLRWRHOUSA-N 0 3 357.476 -0.633 20 0 FBADHN CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)CC[C@@H]21 ZINC001159781610 843888537 /nfs/dbraw/zinc/88/85/37/843888537.db2.gz KWGJEZJGPXRJKG-ILXRZTDVSA-N 0 3 350.463 -0.578 20 0 FBADHN CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)CC[C@@H]21 ZINC001159781611 843888675 /nfs/dbraw/zinc/88/86/75/843888675.db2.gz KWGJEZJGPXRJKG-KFWWJZLASA-N 0 3 350.463 -0.578 20 0 FBADHN CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)CC[C@H]21 ZINC001159781612 843888637 /nfs/dbraw/zinc/88/86/37/843888637.db2.gz KWGJEZJGPXRJKG-QLFBSQMISA-N 0 3 350.463 -0.578 20 0 FBADHN CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)CC[C@H]21 ZINC001159781613 843888929 /nfs/dbraw/zinc/88/89/29/843888929.db2.gz KWGJEZJGPXRJKG-RBSFLKMASA-N 0 3 350.463 -0.578 20 0 FBADHN CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)CC[C@H]21 ZINC001159783754 843888721 /nfs/dbraw/zinc/88/87/21/843888721.db2.gz XBPZLCYKABHNCT-BFHYXJOUSA-N 0 3 353.467 -0.132 20 0 FBADHN CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)CC[C@@H]21 ZINC001159783759 843888861 /nfs/dbraw/zinc/88/88/61/843888861.db2.gz XBPZLCYKABHNCT-MCIONIFRSA-N 0 3 353.467 -0.132 20 0 FBADHN CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)CC[C@H]21 ZINC001159783761 843888819 /nfs/dbraw/zinc/88/88/19/843888819.db2.gz XBPZLCYKABHNCT-MGPQQGTHSA-N 0 3 353.467 -0.132 20 0 FBADHN CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)CC[C@@H]21 ZINC001159783762 843888945 /nfs/dbraw/zinc/88/89/45/843888945.db2.gz XBPZLCYKABHNCT-MJBXVCDLSA-N 0 3 353.467 -0.132 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159797885 843888732 /nfs/dbraw/zinc/88/87/32/843888732.db2.gz JHVJRONHBPRCSD-DZWULXIXSA-N 0 3 364.475 -0.166 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159797886 843889070 /nfs/dbraw/zinc/88/90/70/843889070.db2.gz JHVJRONHBPRCSD-JXQWACKNSA-N 0 3 364.475 -0.166 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159797887 843888555 /nfs/dbraw/zinc/88/85/55/843888555.db2.gz JHVJRONHBPRCSD-KXTXEXGHSA-N 0 3 364.475 -0.166 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159797888 843889054 /nfs/dbraw/zinc/88/90/54/843889054.db2.gz JHVJRONHBPRCSD-PJGQNWHFSA-N 0 3 364.475 -0.166 20 0 FBADHN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159835272 843890114 /nfs/dbraw/zinc/89/01/14/843890114.db2.gz ZCZWYWVAZGNQEI-GRYCIOLGSA-N 0 3 362.463 -0.351 20 0 FBADHN 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C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160027377 843894431 /nfs/dbraw/zinc/89/44/31/843894431.db2.gz WMCBXIXLDHUDPG-NYPUAQSOSA-N 0 3 371.503 -0.147 20 0 FBADHN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2)C1 ZINC001160041528 843894136 /nfs/dbraw/zinc/89/41/36/843894136.db2.gz LIHTTZKKQNWDLE-LAWATIRUSA-N 0 3 374.507 -0.496 20 0 FBADHN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H](N)CC[S@](C)=O)C2)C1 ZINC001160041529 843894394 /nfs/dbraw/zinc/89/43/94/843894394.db2.gz LIHTTZKKQNWDLE-NOMBLQHCSA-N 0 3 374.507 -0.496 20 0 FBADHN Cc1nc(Cn2c(=O)ccc3c2CCN(C(=O)[C@@H](N)CN)CC3)cs1 ZINC001160041712 843894062 /nfs/dbraw/zinc/89/40/62/843894062.db2.gz OBZJCLCZRRZUOB-AWEZNQCLSA-N 0 3 361.471 -0.125 20 0 FBADHN COC[C@@H]1COCCC12CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001160060108 843894006 /nfs/dbraw/zinc/89/40/06/843894006.db2.gz UNDWUOSCCZAWKB-CABCVRRESA-N 0 3 353.463 -0.392 20 0 FBADHN COC[C@H]1COCCC12CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001160060109 843893769 /nfs/dbraw/zinc/89/37/69/843893769.db2.gz UNDWUOSCCZAWKB-GJZGRUSLSA-N 0 3 353.463 -0.392 20 0 FBADHN COC[C@@H]1COCCC12CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001160060110 843893868 /nfs/dbraw/zinc/89/38/68/843893868.db2.gz UNDWUOSCCZAWKB-HUUCEWRRSA-N 0 3 353.463 -0.392 20 0 FBADHN COC[C@H]1COCCC12CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001160060111 843893816 /nfs/dbraw/zinc/89/38/16/843893816.db2.gz UNDWUOSCCZAWKB-LSDHHAIUSA-N 0 3 353.463 -0.392 20 0 FBADHN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)C(N)C(F)(F)F)[C@@H]2COC[C@H]12 ZINC001160084990 843893919 /nfs/dbraw/zinc/89/39/19/843893919.db2.gz HJSQCLMEFHXHGE-CNVPUSNMSA-N 0 3 360.336 -0.130 20 0 FBADHN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)C(N)C(F)(F)F)[C@@H]2COC[C@H]12 ZINC001160084991 843893909 /nfs/dbraw/zinc/89/39/09/843893909.db2.gz HJSQCLMEFHXHGE-IQIPOGNMSA-N 0 3 360.336 -0.130 20 0 FBADHN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)[C@@H]2COC[C@H]12 ZINC001160086474 843895363 /nfs/dbraw/zinc/89/53/63/843895363.db2.gz 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N[C@H]1CCCCN(CC(=O)N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1=O ZINC001160155547 843896215 /nfs/dbraw/zinc/89/62/15/843896215.db2.gz IZLMJOCGZJHNON-XHSDSOJGSA-N 0 3 350.463 -0.352 20 0 FBADHN CC(C)C[C@H](NC(=O)CN)C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160155835 843895826 /nfs/dbraw/zinc/89/58/26/843895826.db2.gz MDPXFQVJNAOBKE-XHSDSOJGSA-N 0 3 352.479 -0.202 20 0 FBADHN CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H](N)CCCNC(N)=O)CCO2 ZINC001160181089 843896494 /nfs/dbraw/zinc/89/64/94/843896494.db2.gz YUUVUSMEZBLEOL-CJNGLKHVSA-N 0 3 355.439 -0.998 20 0 FBADHN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H](N)CCCNC(N)=O)CCO2 ZINC001160181090 843896508 /nfs/dbraw/zinc/89/65/08/843896508.db2.gz YUUVUSMEZBLEOL-CZUORRHYSA-N 0 3 355.439 -0.998 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192779 843895903 /nfs/dbraw/zinc/89/59/03/843895903.db2.gz HCTUOKJOAITCFO-UOXLDJKESA-N 0 3 365.463 -0.649 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192780 843896258 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CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CC[S@@](C)=O)[C@@H]2C1 ZINC001160294563 843897735 /nfs/dbraw/zinc/89/77/35/843897735.db2.gz CPULGZFHSNTKRC-GIBQAKDFSA-N 0 3 359.492 -0.387 20 0 FBADHN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CC[S@](C)=O)[C@@H]2C1 ZINC001160294564 843898077 /nfs/dbraw/zinc/89/80/77/843898077.db2.gz CPULGZFHSNTKRC-SFJOLPBESA-N 0 3 359.492 -0.387 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCCNCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001160316959 843898979 /nfs/dbraw/zinc/89/89/79/843898979.db2.gz BPYZUYPACJCTEA-GUTXKFCHSA-N 0 3 356.467 -0.510 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCCNCC(=O)N[C@H](C)C(=O)N(C)C ZINC001160316960 843898742 /nfs/dbraw/zinc/89/87/42/843898742.db2.gz BPYZUYPACJCTEA-NFAWXSAZSA-N 0 3 356.467 -0.510 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N[C@@H](CO)CN1CCCC1 ZINC001160333809 843900193 /nfs/dbraw/zinc/90/01/93/843900193.db2.gz HERUMGXXEOWSFN-GFCCVEGCSA-N 0 3 356.448 -0.880 20 0 FBADHN Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H](CO)CN1CCCC1 ZINC001160333810 843899488 /nfs/dbraw/zinc/89/94/88/843899488.db2.gz HERUMGXXEOWSFN-LBPRGKRZSA-N 0 3 356.448 -0.880 20 0 FBADHN NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC001160334360 843900087 /nfs/dbraw/zinc/90/00/87/843900087.db2.gz OWAQKVXGEHJOBB-GFCCVEGCSA-N 0 3 357.432 -0.714 20 0 FBADHN NS(=O)(=O)c1ccc(OCC(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC001160334361 843900072 /nfs/dbraw/zinc/90/00/72/843900072.db2.gz OWAQKVXGEHJOBB-LBPRGKRZSA-N 0 3 357.432 -0.714 20 0 FBADHN Cc1nc(CN2CCO[C@@H]3CN(C(=O)[C@@H](N)CN)CC[C@@H]3C2)cs1 ZINC001160334451 843899798 /nfs/dbraw/zinc/89/97/98/843899798.db2.gz ASXRCFPJAFGJJW-VHDGCEQUSA-N 0 3 353.492 -0.213 20 0 FBADHN O=C(COCC(=O)N[C@H](CO)CN1CCCC1)NCc1cccnc1 ZINC001160334734 843899750 /nfs/dbraw/zinc/89/97/50/843899750.db2.gz ZAMSICTYOJUJMF-HNNXBMFYSA-N 0 3 350.419 -0.713 20 0 FBADHN O=C(COCC(=O)N[C@@H](CO)CN1CCCC1)NCc1cccnc1 ZINC001160334735 843900115 /nfs/dbraw/zinc/90/01/15/843900115.db2.gz ZAMSICTYOJUJMF-OAHLLOKOSA-N 0 3 350.419 -0.713 20 0 FBADHN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)C(N)C(F)(F)F)C2 ZINC001160380529 843899857 /nfs/dbraw/zinc/89/98/57/843899857.db2.gz GFLREYBWJZHMPN-LLVKDONJSA-N 0 3 364.328 -0.885 20 0 FBADHN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)C(N)C(F)(F)F)C2 ZINC001160380532 843900202 /nfs/dbraw/zinc/90/02/02/843900202.db2.gz GFLREYBWJZHMPN-NSHDSACASA-N 0 3 364.328 -0.885 20 0 FBADHN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001160381338 843899972 /nfs/dbraw/zinc/89/99/72/843899972.db2.gz BNZFOPDQBSWTMN-CANCMXDXSA-N 0 3 370.523 -0.054 20 0 FBADHN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001160381342 843899829 /nfs/dbraw/zinc/89/98/29/843899829.db2.gz BNZFOPDQBSWTMN-ZJWNCGCPSA-N 0 3 370.523 -0.054 20 0 FBADHN CC(=O)OC[C@H](N)C(=O)N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001160388333 843900241 /nfs/dbraw/zinc/90/02/41/843900241.db2.gz JVYYCNYUAHKZRR-AWEZNQCLSA-N 0 3 354.451 -0.578 20 0 FBADHN CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001160391276 843900883 /nfs/dbraw/zinc/90/08/83/843900883.db2.gz KQYZFTBMWRYQEP-HWRSSNJWSA-N 0 3 372.535 -0.373 20 0 FBADHN CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001160391277 843901088 /nfs/dbraw/zinc/90/10/88/843901088.db2.gz KQYZFTBMWRYQEP-SXBQZSJRSA-N 0 3 372.535 -0.373 20 0 FBADHN CN(C)C(=O)CN1CCC2(CCCN2C(=O)C[C@H]2COCCN2)CC1 ZINC001160392440 843900927 /nfs/dbraw/zinc/90/09/27/843900927.db2.gz YURFLHREGPVULD-HNNXBMFYSA-N 0 3 352.479 -0.090 20 0 FBADHN CN(C)C(=O)CN1CCC2(CCCN2C(=O)C[C@@H]2COCCN2)CC1 ZINC001160392441 843900902 /nfs/dbraw/zinc/90/09/02/843900902.db2.gz YURFLHREGPVULD-OAHLLOKOSA-N 0 3 352.479 -0.090 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1=O ZINC001160404228 843900698 /nfs/dbraw/zinc/90/06/98/843900698.db2.gz LHXLPFFLCHCVBB-CAOSSQGBSA-N 0 3 351.447 -0.021 20 0 FBADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)C(N)C(F)(F)F)C2 ZINC001160418361 843900758 /nfs/dbraw/zinc/90/07/58/843900758.db2.gz KYKIMTMYQLIABE-BXUZGUMPSA-N 0 3 367.368 -0.012 20 0 FBADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)C(N)C(F)(F)F)C2 ZINC001160418363 843900801 /nfs/dbraw/zinc/90/08/01/843900801.db2.gz KYKIMTMYQLIABE-FZMZJTMJSA-N 0 3 367.368 -0.012 20 0 FBADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)C(N)C(F)(F)F)C2 ZINC001160418365 843901107 /nfs/dbraw/zinc/90/11/07/843901107.db2.gz KYKIMTMYQLIABE-RISCZKNCSA-N 0 3 367.368 -0.012 20 0 FBADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)C(N)C(F)(F)F)C2 ZINC001160418367 843900891 /nfs/dbraw/zinc/90/08/91/843900891.db2.gz KYKIMTMYQLIABE-SMDDNHRTSA-N 0 3 367.368 -0.012 20 0 FBADHN CCOC(=O)C1=C(O)CCN(C(=O)[C@H](CC(C)C)NC(=O)CN)CC1 ZINC001160427739 843901020 /nfs/dbraw/zinc/90/10/20/843901020.db2.gz NKVSQSPNOOCEQD-OLZOCXBDSA-N 0 3 355.435 -0.153 20 0 FBADHN CCOC(=O)C1=C(O)CCN(C(=O)[C@H](CC(C)C)NC(=O)CN)CC1 ZINC001160427740 843900625 /nfs/dbraw/zinc/90/06/25/843900625.db2.gz NKVSQSPNOOCEQD-STQMWFEESA-N 0 3 355.435 -0.153 20 0 FBADHN CCOC(=O)[C@H]1CCN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)CCC1=O ZINC001160428072 843901722 /nfs/dbraw/zinc/90/17/22/843901722.db2.gz PMZBJVQAKGVSDF-HUBLWGQQSA-N 0 3 355.435 -0.153 20 0 FBADHN CCOC(=O)[C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)CCC1=O ZINC001160428074 843901901 /nfs/dbraw/zinc/90/19/01/843901901.db2.gz PMZBJVQAKGVSDF-ZOWXZIJZSA-N 0 3 355.435 -0.153 20 0 FBADHN O=C([C@@H]1CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1)N1CCCCC1 ZINC001160450356 843901879 /nfs/dbraw/zinc/90/18/79/843901879.db2.gz DHCVVONVFSTZJA-CABCVRRESA-N 0 3 350.463 -0.432 20 0 FBADHN O=C([C@H]1CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1)N1CCCCC1 ZINC001160450359 843901400 /nfs/dbraw/zinc/90/14/00/843901400.db2.gz DHCVVONVFSTZJA-GJZGRUSLSA-N 0 3 350.463 -0.432 20 0 FBADHN O=C([C@@H]1CCCN(C(=O)[C@H]2COC3(CNC3)CN2)C1)N1CCCCC1 ZINC001160450362 843901428 /nfs/dbraw/zinc/90/14/28/843901428.db2.gz DHCVVONVFSTZJA-HUUCEWRRSA-N 0 3 350.463 -0.432 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001160450364 843901367 /nfs/dbraw/zinc/90/13/67/843901367.db2.gz DHCVVONVFSTZJA-LSDHHAIUSA-N 0 3 350.463 -0.432 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCNC(=O)[C@@H]1C ZINC001160451740 843902297 /nfs/dbraw/zinc/90/22/97/843902297.db2.gz VMOJGNIECVGOHO-CYDGBPFRSA-N 0 3 358.508 -0.055 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCNC(=O)[C@H]1C ZINC001160451741 843902127 /nfs/dbraw/zinc/90/21/27/843902127.db2.gz VMOJGNIECVGOHO-RNJOBUHISA-N 0 3 358.508 -0.055 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456523 843902388 /nfs/dbraw/zinc/90/23/88/843902388.db2.gz LSLRHSNGOWFVPD-AVGNSLFASA-N 0 3 373.523 -0.179 20 0 FBADHN NC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)CC1 ZINC001160456719 843902618 /nfs/dbraw/zinc/90/26/18/843902618.db2.gz POZUUSNBFQHLHA-VIFPVBQESA-N 0 3 353.345 -0.615 20 0 FBADHN CNC(=O)[C@@H](C)N1CC=C(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001160466766 843902567 /nfs/dbraw/zinc/90/25/67/843902567.db2.gz HRXQUFOTZPKNTI-IIAWOOMASA-N 0 3 352.479 -0.022 20 0 FBADHN CNC(=O)[C@H](C)N1CC=C(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001160466767 843902692 /nfs/dbraw/zinc/90/26/92/843902692.db2.gz HRXQUFOTZPKNTI-IJEWVQPXSA-N 0 3 352.479 -0.022 20 0 FBADHN CC1(C)C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F ZINC001160478660 843902961 /nfs/dbraw/zinc/90/29/61/843902961.db2.gz YHIJQKCRWGVJFI-VIFPVBQESA-N 0 3 352.357 -0.101 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2=CCN([C@@H]3CCNC3=O)CC2)O1 ZINC001160478827 843902774 /nfs/dbraw/zinc/90/27/74/843902774.db2.gz ABJGACRYIDJICA-FVQBIDKESA-N 0 3 350.463 -0.268 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2=CCN([C@H]3CCNC3=O)CC2)O1 ZINC001160478828 843902877 /nfs/dbraw/zinc/90/28/77/843902877.db2.gz ABJGACRYIDJICA-VNQPRFMTSA-N 0 3 350.463 -0.268 20 0 FBADHN CCNC(=O)CN1CC=C(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001160478851 843902915 /nfs/dbraw/zinc/90/29/15/843902915.db2.gz BHVJQWWSABPCEL-GDBMZVCRSA-N 0 3 352.479 -0.020 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2=CCN(CC(=O)N(C)C)CC2)O1 ZINC001160478931 843902262 /nfs/dbraw/zinc/90/22/62/843902262.db2.gz FFGKSWYFTIIQEB-GDBMZVCRSA-N 0 3 352.479 -0.068 20 0 FBADHN N[C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CCC(O)CC1 ZINC001160484724 843902632 /nfs/dbraw/zinc/90/26/32/843902632.db2.gz AOTKINOEUKOEMD-DQPZFDDXSA-N 0 3 352.479 -0.369 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001160485050 843902594 /nfs/dbraw/zinc/90/25/94/843902594.db2.gz OUJLJIKEZMIQHM-BBRMVZONSA-N 0 3 355.483 -0.855 20 0 FBADHN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001160492754 843903420 /nfs/dbraw/zinc/90/34/20/843903420.db2.gz HEQOACTUHGVHGB-INUWHMKWSA-N 0 3 360.432 -0.519 20 0 FBADHN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001160492755 843903479 /nfs/dbraw/zinc/90/34/79/843903479.db2.gz HEQOACTUHGVHGB-IOSQYBNKSA-N 0 3 360.432 -0.519 20 0 FBADHN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001160492756 843903600 /nfs/dbraw/zinc/90/36/00/843903600.db2.gz HEQOACTUHGVHGB-KDFSHQOKSA-N 0 3 360.432 -0.519 20 0 FBADHN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001160492757 843903822 /nfs/dbraw/zinc/90/38/22/843903822.db2.gz HEQOACTUHGVHGB-OMUODCKXSA-N 0 3 360.432 -0.519 20 0 FBADHN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CN(C(C)(C)C)CCN1 ZINC001160494321 843903618 /nfs/dbraw/zinc/90/36/18/843903618.db2.gz SEKPGORAPOKBFA-GMXVVIOVSA-N 0 3 373.475 -0.325 20 0 FBADHN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CN(C(C)(C)C)CCN1 ZINC001160494324 843903371 /nfs/dbraw/zinc/90/33/71/843903371.db2.gz SEKPGORAPOKBFA-GVXVVHGQSA-N 0 3 373.475 -0.325 20 0 FBADHN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1CN(C(C)(C)C)CCN1 ZINC001160494326 843903435 /nfs/dbraw/zinc/90/34/35/843903435.db2.gz SEKPGORAPOKBFA-MDZLAQPJSA-N 0 3 373.475 -0.325 20 0 FBADHN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1CN(C(C)(C)C)CCN1 ZINC001160494328 843903471 /nfs/dbraw/zinc/90/34/71/843903471.db2.gz SEKPGORAPOKBFA-NTZNESFSSA-N 0 3 373.475 -0.325 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506430 843903721 /nfs/dbraw/zinc/90/37/21/843903721.db2.gz NHDHWHDUUMRDET-GFCCVEGCSA-N 0 3 367.837 -0.170 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506434 843903793 /nfs/dbraw/zinc/90/37/93/843903793.db2.gz NHDHWHDUUMRDET-LBPRGKRZSA-N 0 3 367.837 -0.170 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001160534945 843904502 /nfs/dbraw/zinc/90/45/02/843904502.db2.gz LVDOSYDHUIBFOS-MJVIPROJSA-N 0 3 350.394 -0.151 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC001160534947 843904171 /nfs/dbraw/zinc/90/41/71/843904171.db2.gz LVDOSYDHUIBFOS-WDMOLILDSA-N 0 3 350.394 -0.151 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCn2c(Br)cnc2C1 ZINC001160542049 843904485 /nfs/dbraw/zinc/90/44/85/843904485.db2.gz MTBNMUACZGHQQJ-SECBINFHSA-N 0 3 356.224 -0.682 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCn2c(Br)cnc2C1 ZINC001160542050 843904385 /nfs/dbraw/zinc/90/43/85/843904385.db2.gz MTBNMUACZGHQQJ-VIFPVBQESA-N 0 3 356.224 -0.682 20 0 FBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCn2c(Br)cnc2C1 ZINC001160542070 843904475 /nfs/dbraw/zinc/90/44/75/843904475.db2.gz NGSUGBHAYJOVGS-MRVPVSSYSA-N 0 3 359.228 -0.236 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001160549141 843904235 /nfs/dbraw/zinc/90/42/35/843904235.db2.gz RAQDHHKOAVNUAG-CBAPKCEASA-N 0 3 366.340 -0.936 20 0 FBADHN Cc1nc([C@H]2CCCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)no1 ZINC001160549610 843904571 /nfs/dbraw/zinc/90/45/71/843904571.db2.gz RTJJGCHSUSSFOY-INTQDDNPSA-N 0 3 352.395 -0.861 20 0 FBADHN Cc1nc([C@@H]2CCCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)no1 ZINC001160549611 843904440 /nfs/dbraw/zinc/90/44/40/843904440.db2.gz RTJJGCHSUSSFOY-LSJOCFKGSA-N 0 3 352.395 -0.861 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160549671 843904609 /nfs/dbraw/zinc/90/46/09/843904609.db2.gz UVALOWLYVFJFMI-RNJOBUHISA-N 0 3 358.508 -0.069 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC3(CCC(=O)O3)CC2)COC1(C)C ZINC001160577574 843904563 /nfs/dbraw/zinc/90/45/63/843904563.db2.gz NIDLEJWFSREFMS-RYUDHWBXSA-N 0 3 353.419 -0.005 20 0 FBADHN CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)C2CCC(O)CC2)CC1 ZINC001160584293 843904459 /nfs/dbraw/zinc/90/44/59/843904459.db2.gz BVJGDCDIKQIYOA-NRXISQOPSA-N 0 3 361.508 -0.556 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CCO1 ZINC001160595936 843905050 /nfs/dbraw/zinc/90/50/50/843905050.db2.gz JIKLHPFDFPAVMK-SDDRHHMPSA-N 0 3 357.407 -0.912 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CCO1 ZINC001160595937 843904985 /nfs/dbraw/zinc/90/49/85/843904985.db2.gz JIKLHPFDFPAVMK-SRVKXCTJSA-N 0 3 357.407 -0.912 20 0 FBADHN COC(=O)C[C@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CCO1 ZINC001160596435 843904991 /nfs/dbraw/zinc/90/49/91/843904991.db2.gz PABHUBOJKPJMLM-SRVKXCTJSA-N 0 3 357.407 -0.912 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CCO1 ZINC001160596436 843904888 /nfs/dbraw/zinc/90/48/88/843904888.db2.gz PABHUBOJKPJMLM-TUAOUCFPSA-N 0 3 357.407 -0.912 20 0 FBADHN COc1ccccc1CCN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001160597972 843905064 /nfs/dbraw/zinc/90/50/64/843905064.db2.gz ZJCYEVFKFGRVPH-AAEUAGOBSA-N 0 3 350.419 -0.597 20 0 FBADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2nnc(C)o2)CC1=O ZINC001160604094 843905423 /nfs/dbraw/zinc/90/54/23/843905423.db2.gz ATHZLLMEAIRTBQ-CYBMUJFWSA-N 0 3 353.423 -0.394 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2nnc(C)o2)CC1=O ZINC001160604095 843905257 /nfs/dbraw/zinc/90/52/57/843905257.db2.gz ATHZLLMEAIRTBQ-ZDUSSCGKSA-N 0 3 353.423 -0.394 20 0 FBADHN CCOC(=O)C(C)(C)C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001160604467 843905243 /nfs/dbraw/zinc/90/52/43/843905243.db2.gz IQISZMFKTXHBMK-CYBMUJFWSA-N 0 3 357.451 -0.129 20 0 FBADHN CCOC(=O)C(C)(C)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001160604468 843905149 /nfs/dbraw/zinc/90/51/49/843905149.db2.gz IQISZMFKTXHBMK-ZDUSSCGKSA-N 0 3 357.451 -0.129 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160612461 843905434 /nfs/dbraw/zinc/90/54/34/843905434.db2.gz ZLRHLVGBOPBWKB-CABCVRRESA-N 0 3 365.455 -0.608 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160612463 843905400 /nfs/dbraw/zinc/90/54/00/843905400.db2.gz ZLRHLVGBOPBWKB-GJZGRUSLSA-N 0 3 365.455 -0.608 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160612466 843905296 /nfs/dbraw/zinc/90/52/96/843905296.db2.gz ZLRHLVGBOPBWKB-HUUCEWRRSA-N 0 3 365.455 -0.608 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160612467 843905214 /nfs/dbraw/zinc/90/52/14/843905214.db2.gz ZLRHLVGBOPBWKB-LSDHHAIUSA-N 0 3 365.455 -0.608 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N2CCN(C3CCOCC3)C(=O)C2)C1=O ZINC001160636057 843905005 /nfs/dbraw/zinc/90/50/05/843905005.db2.gz FQADEYRUAWPUBF-AWEZNQCLSA-N 0 3 352.435 -0.824 20 0 FBADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160636686 843905734 /nfs/dbraw/zinc/90/57/34/843905734.db2.gz QJLJNCZOKJAPFZ-ZDUSSCGKSA-N 0 3 354.451 -0.709 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)COC1(C)C ZINC001160637066 843905707 /nfs/dbraw/zinc/90/57/07/843905707.db2.gz JJMXISSCIKFKOV-AVGNSLFASA-N 0 3 350.423 -0.248 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)COC1(C)C ZINC001160637070 843905702 /nfs/dbraw/zinc/90/57/02/843905702.db2.gz JJMXISSCIKFKOV-XQQFMLRXSA-N 0 3 350.423 -0.248 20 0 FBADHN CN1CCN(C2CN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)C2)CC1=O ZINC001160638085 843905720 /nfs/dbraw/zinc/90/57/20/843905720.db2.gz ZFMXFFLDPYXDBA-CYBMUJFWSA-N 0 3 354.451 -0.580 20 0 FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640957 843906105 /nfs/dbraw/zinc/90/61/05/843906105.db2.gz TWTCZMWLEDTZOP-ZJUUUORDSA-N 0 3 366.340 -0.175 20 0 FBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640961 843905850 /nfs/dbraw/zinc/90/58/50/843905850.db2.gz TYEVFCLTAQZSAS-ONGXEEELSA-N 0 3 351.407 -0.349 20 0 FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647477 843905755 /nfs/dbraw/zinc/90/57/55/843905755.db2.gz KOXYXSFRTLEBEE-MNOVXSKESA-N 0 3 364.368 -0.004 20 0 FBADHN CS(=O)(=O)NC1CN(C(=O)[C@H](N)CCC(=O)OCc2ccccc2)C1 ZINC001160660248 843906928 /nfs/dbraw/zinc/90/69/28/843906928.db2.gz GWIABHHZNAKLKY-CQSZACIVSA-N 0 3 369.443 -0.403 20 0 FBADHN CC(C)c1nc(CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cs1 ZINC001160672457 843906751 /nfs/dbraw/zinc/90/67/51/843906751.db2.gz HKIPNQHCIXHZPD-ONGXEEELSA-N 0 3 355.464 -0.068 20 0 FBADHN COc1ccc([C@H](C)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc1 ZINC001160686787 843906940 /nfs/dbraw/zinc/90/69/40/843906940.db2.gz YFPBMABHFQYEJQ-MJVIPROJSA-N 0 3 350.419 -0.078 20 0 FBADHN COc1ccc([C@@H](C)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc1 ZINC001160686788 843906441 /nfs/dbraw/zinc/90/64/41/843906441.db2.gz YFPBMABHFQYEJQ-WDMOLILDSA-N 0 3 350.419 -0.078 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160689551 843906539 /nfs/dbraw/zinc/90/65/39/843906539.db2.gz OIRXESROZADVSJ-CYBMUJFWSA-N 0 3 351.838 -0.286 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160689553 843906716 /nfs/dbraw/zinc/90/67/16/843906716.db2.gz OIRXESROZADVSJ-ZDUSSCGKSA-N 0 3 351.838 -0.286 20 0 FBADHN COc1ccc(CSC[C@H](N)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC001160704912 843907256 /nfs/dbraw/zinc/90/72/56/843907256.db2.gz QWGRVEUDSWRPPD-KBPBESRZSA-N 0 3 353.444 -0.032 20 0 FBADHN COc1ccc(CSC[C@H](N)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC001160704913 843907744 /nfs/dbraw/zinc/90/77/44/843907744.db2.gz QWGRVEUDSWRPPD-UONOGXRCSA-N 0 3 353.444 -0.032 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160705647 843907579 /nfs/dbraw/zinc/90/75/79/843907579.db2.gz YRLLWTLPBVRYES-CYDGBPFRSA-N 0 3 374.507 -0.690 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160705648 843907629 /nfs/dbraw/zinc/90/76/29/843907629.db2.gz YRLLWTLPBVRYES-RVMXOQNASA-N 0 3 374.507 -0.690 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)C1=O ZINC001160715432 843907504 /nfs/dbraw/zinc/90/75/04/843907504.db2.gz DPHWPVLDTUTTFE-LBPRGKRZSA-N 0 3 350.419 -0.628 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N(C)C2CCS(=O)(=O)CC2)COC1(C)C ZINC001160718720 843907479 /nfs/dbraw/zinc/90/74/79/843907479.db2.gz SCERHVJILLDWKB-JQWIXIFHSA-N 0 3 361.464 -0.667 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160718847 843907716 /nfs/dbraw/zinc/90/77/16/843907716.db2.gz UOLYZWJCOBXORR-NHYWBVRUSA-N 0 3 352.435 -0.479 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC(n3cnnc3)CC2)COC1(C)C ZINC001160722631 843907457 /nfs/dbraw/zinc/90/74/57/843907457.db2.gz RRRHJNVAESBFKL-AAEUAGOBSA-N 0 3 350.423 -0.248 20 0 FBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160740975 843907667 /nfs/dbraw/zinc/90/76/67/843907667.db2.gz DTNVFDLOEVMTNW-CYBMUJFWSA-N 0 3 355.439 -0.952 20 0 FBADHN CCNC(=O)CO[C@H]1CCCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001160746364 843908137 /nfs/dbraw/zinc/90/81/37/843908137.db2.gz HAJIJJNSSPVIHP-KBPBESRZSA-N 0 3 354.451 -0.530 20 0 FBADHN CCNC(=O)CO[C@@H]1CCCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001160746365 843908347 /nfs/dbraw/zinc/90/83/47/843908347.db2.gz HAJIJJNSSPVIHP-KGLIPLIRSA-N 0 3 354.451 -0.530 20 0 FBADHN CCNC(=O)CO[C@H]1CCCN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)C1 ZINC001160747531 843908220 /nfs/dbraw/zinc/90/82/20/843908220.db2.gz UGJYPFXBSPIBAV-XEZPLFJOSA-N 0 3 356.467 -0.380 20 0 FBADHN CCNC(=O)CO[C@@H]1CCCN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)C1 ZINC001160747533 843908043 /nfs/dbraw/zinc/90/80/43/843908043.db2.gz UGJYPFXBSPIBAV-ZENOOKHLSA-N 0 3 356.467 -0.380 20 0 FBADHN CCOC(=O)CN(Cc1ccsc1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160770879 843908494 /nfs/dbraw/zinc/90/84/94/843908494.db2.gz XXINGVZWKQNKLW-CYBMUJFWSA-N 0 3 353.444 -0.030 20 0 FBADHN CCOC(=O)CN(Cc1ccsc1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160770880 843908540 /nfs/dbraw/zinc/90/85/40/843908540.db2.gz XXINGVZWKQNKLW-ZDUSSCGKSA-N 0 3 353.444 -0.030 20 0 FBADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772552 843908068 /nfs/dbraw/zinc/90/80/68/843908068.db2.gz UOBJDLSFBKHMEN-LBPRGKRZSA-N 0 3 355.435 -0.186 20 0 FBADHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772687 843908338 /nfs/dbraw/zinc/90/83/38/843908338.db2.gz VKUVXHUBZAPLTB-GFCCVEGCSA-N 0 3 355.435 -0.057 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccccc1CN)C2 ZINC001160773254 843908293 /nfs/dbraw/zinc/90/82/93/843908293.db2.gz FAOFZFKYVCBANQ-CYBMUJFWSA-N 0 3 352.412 -0.052 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccccc1CN)C2 ZINC001160773255 843908247 /nfs/dbraw/zinc/90/82/47/843908247.db2.gz FAOFZFKYVCBANQ-ZDUSSCGKSA-N 0 3 352.412 -0.052 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(CN)c1)C2 ZINC001160773290 843908468 /nfs/dbraw/zinc/90/84/68/843908468.db2.gz FYWGQRNCVNWYPU-CYBMUJFWSA-N 0 3 352.412 -0.052 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(CN)c1)C2 ZINC001160773291 843908604 /nfs/dbraw/zinc/90/86/04/843908604.db2.gz FYWGQRNCVNWYPU-ZDUSSCGKSA-N 0 3 352.412 -0.052 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H](C1CCC1)C(F)(F)F ZINC001160774004 843908631 /nfs/dbraw/zinc/90/86/31/843908631.db2.gz OFCKGIWJRHWOEL-ARENWVFISA-N 0 3 352.357 -0.117 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H](C1CCC1)C(F)(F)F ZINC001160774005 843908526 /nfs/dbraw/zinc/90/85/26/843908526.db2.gz OFCKGIWJRHWOEL-OVYXKVPISA-N 0 3 352.357 -0.117 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)C1CCC(O)CC1)C2 ZINC001160774517 843908443 /nfs/dbraw/zinc/90/84/43/843908443.db2.gz VHICNXHGGGGMEC-TUUUFIMRSA-N 0 3 374.459 -0.947 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)C1CCC(O)CC1)C2 ZINC001160774518 843908391 /nfs/dbraw/zinc/90/83/91/843908391.db2.gz VHICNXHGGGGMEC-TYUFSLCMSA-N 0 3 374.459 -0.947 20 0 FBADHN CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001160788116 843909226 /nfs/dbraw/zinc/90/92/26/843909226.db2.gz OHJRULJAKCNNLV-BXKDBHETSA-N 0 3 352.395 -0.826 20 0 FBADHN CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001160788119 843909315 /nfs/dbraw/zinc/90/93/15/843909315.db2.gz OHJRULJAKCNNLV-SKDRFNHKSA-N 0 3 352.395 -0.826 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806233 843909322 /nfs/dbraw/zinc/90/93/22/843909322.db2.gz MABBYVCGMDDZBY-MQNRADLISA-N 0 3 365.503 -0.490 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806234 843908902 /nfs/dbraw/zinc/90/89/02/843908902.db2.gz MABBYVCGMDDZBY-ODCWNRFASA-N 0 3 365.503 -0.490 20 0 FBADHN CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001160806277 843909118 /nfs/dbraw/zinc/90/91/18/843909118.db2.gz NLRQPQQOLARRIY-APXPCNQMSA-N 0 3 356.448 -0.460 20 0 FBADHN CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001160806280 843909468 /nfs/dbraw/zinc/90/94/68/843909468.db2.gz NLRQPQQOLARRIY-BUBHHJDNSA-N 0 3 356.448 -0.460 20 0 FBADHN CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001160823433 843910240 /nfs/dbraw/zinc/91/02/40/843910240.db2.gz GGFPXYCPPWCQCA-SECBINFHSA-N 0 3 353.379 -0.488 20 0 FBADHN CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001160824484 843910122 /nfs/dbraw/zinc/91/01/22/843910122.db2.gz NWVXZAFKVRTURX-LLVKDONJSA-N 0 3 350.375 -0.934 20 0 FBADHN CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001160824485 843909977 /nfs/dbraw/zinc/90/99/77/843909977.db2.gz NWVXZAFKVRTURX-NSHDSACASA-N 0 3 350.375 -0.934 20 0 FBADHN CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001160824777 843909988 /nfs/dbraw/zinc/90/99/88/843909988.db2.gz PUPVTEITLJXTRU-PWSUYJOCSA-N 0 3 352.395 -0.826 20 0 FBADHN CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001160824778 843910030 /nfs/dbraw/zinc/91/00/30/843910030.db2.gz PUPVTEITLJXTRU-ZYHUDNBSSA-N 0 3 352.395 -0.826 20 0 FBADHN COc1cccnc1N1CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001160847158 843910111 /nfs/dbraw/zinc/91/01/11/843910111.db2.gz ZCLJOIQZBRFXGB-GFCCVEGCSA-N 0 3 350.423 -0.485 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC[NH2+]CCC[N-]C(=O)C(F)(F)F)O1 ZINC001160850903 843910848 /nfs/dbraw/zinc/91/08/48/843910848.db2.gz JHGHINQPZXCOOP-VXGBXAGGSA-N 0 3 368.400 -0.130 20 0 FBADHN C[C@H](NCCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1nnnn1C1CC1 ZINC001160851122 843910800 /nfs/dbraw/zinc/91/08/00/843910800.db2.gz SGPYIOPPMSPWRM-MBNYWOFBSA-N 0 3 351.455 -0.116 20 0 FBADHN C[C@@H](NCCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1nnnn1C1CC1 ZINC001160851123 843911126 /nfs/dbraw/zinc/91/11/26/843911126.db2.gz SGPYIOPPMSPWRM-YRGRVCCFSA-N 0 3 351.455 -0.116 20 0 FBADHN CCCCn1nnnc1CNCCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001160857726 843910827 /nfs/dbraw/zinc/91/08/27/843910827.db2.gz NTIIHSVPLJRDKF-ZIAGYGMSSA-N 0 3 353.471 -0.212 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCC(=O)N(C)c2nccs2)O1 ZINC001160857919 843910758 /nfs/dbraw/zinc/91/07/58/843910758.db2.gz RSQGVWFPVZKXOX-CHWSQXEVSA-N 0 3 369.491 -0.079 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCC(=O)Nc2nncs2)O1 ZINC001160861953 843911582 /nfs/dbraw/zinc/91/15/82/843911582.db2.gz CKMQSMYQTIOMFR-GHMZBOCLSA-N 0 3 356.452 -0.708 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCc2nnc3n2CCOC3)O1 ZINC001160861988 843911885 /nfs/dbraw/zinc/91/18/85/843911885.db2.gz GASMFHFNYNONDT-CHWSQXEVSA-N 0 3 352.439 -0.877 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)no1 ZINC001160861996 843911454 /nfs/dbraw/zinc/91/14/54/843911454.db2.gz GGZNWEJGVBPLMX-CHWSQXEVSA-N 0 3 353.423 -0.263 20 0 FBADHN Cc1nnc(NC(=O)CNCCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)s1 ZINC001160862259 843911658 /nfs/dbraw/zinc/91/16/58/843911658.db2.gz JRLGMHZVWYEPFB-ZYHUDNBSSA-N 0 3 370.479 -0.400 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCC(=O)Nc2nccs2)O1 ZINC001160862556 843911941 /nfs/dbraw/zinc/91/19/41/843911941.db2.gz RAVJMZASGXUAPS-VXGBXAGGSA-N 0 3 355.464 -0.103 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCC(=O)Nc2cnccn2)O1 ZINC001160862665 843911374 /nfs/dbraw/zinc/91/13/74/843911374.db2.gz UILYIQRRFSCGLT-CHWSQXEVSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCc2nnnn2C(C)(C)C)O1 ZINC001160862837 843911490 /nfs/dbraw/zinc/91/14/90/843911490.db2.gz XCDRGBOWXBHXEK-CHWSQXEVSA-N 0 3 353.471 -0.257 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCc2nnc3n2CCCC3)O1 ZINC001160862861 843912041 /nfs/dbraw/zinc/91/20/41/843912041.db2.gz YMSZQFMPHMMLCY-ZIAGYGMSSA-N 0 3 350.467 -0.071 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCNCc2ncnn2CC(F)F)O1 ZINC001160862887 843911398 /nfs/dbraw/zinc/91/13/98/843911398.db2.gz ZWJGTLPWYUYIKC-VXGBXAGGSA-N 0 3 360.409 -0.142 20 0 FBADHN CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)N)C[C@@H]21 ZINC001160884588 843911807 /nfs/dbraw/zinc/91/18/07/843911807.db2.gz UNCNXGTZAKPURW-IEECTRCBSA-N 0 3 353.419 -0.435 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCn2cc(C(=O)OC)nc2C1 ZINC001160905445 843912748 /nfs/dbraw/zinc/91/27/48/843912748.db2.gz MMHIPKOTBFHJOD-HZMBPMFUSA-N 0 3 351.407 -0.499 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160912727 843912808 /nfs/dbraw/zinc/91/28/08/843912808.db2.gz NVINNCMDAMKVLU-GFCCVEGCSA-N 0 3 367.837 -0.170 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160912728 843912547 /nfs/dbraw/zinc/91/25/47/843912547.db2.gz NVINNCMDAMKVLU-LBPRGKRZSA-N 0 3 367.837 -0.170 20 0 FBADHN C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F ZINC001160941652 843912764 /nfs/dbraw/zinc/91/27/64/843912764.db2.gz NSFQFGXCFAOJBJ-UWVGGRQHSA-N 0 3 352.357 -0.148 20 0 FBADHN NCCN=c1ccc(Br)cn1-c1ccc(S(N)(=O)=O)nn1 ZINC001160977001 839921047 /nfs/dbraw/zinc/92/10/47/839921047.db2.gz GUQLADABHLCYGB-UHFFFAOYSA-N 0 3 373.236 -0.463 20 0 FBADHN Cn1nncc1CNCCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001160984124 843913332 /nfs/dbraw/zinc/91/33/32/843913332.db2.gz GRIDKAZSZCPWGF-MNOVXSKESA-N 0 3 351.329 -0.243 20 0 FBADHN NC(=S)C1CCN(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)CC1 ZINC001161030565 843914811 /nfs/dbraw/zinc/91/48/11/843914811.db2.gz BKRQUBLQSGJTSQ-LBPRGKRZSA-N 0 3 364.475 -0.161 20 0 FBADHN CN([C@H]1CCCN(C(=O)[C@@H](N)CN)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001161050123 843915026 /nfs/dbraw/zinc/91/50/26/843915026.db2.gz LPOJPRSNXWVIHY-JSGCOSHPSA-N 0 3 358.439 -0.277 20 0 FBADHN CN([C@@H]1CCCN(C(=O)[C@@H](N)CN)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001161050124 843915141 /nfs/dbraw/zinc/91/51/41/843915141.db2.gz LPOJPRSNXWVIHY-OCCSQVGLSA-N 0 3 358.439 -0.277 20 0 FBADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065070 843914790 /nfs/dbraw/zinc/91/47/90/843914790.db2.gz PDYLQNURSIJGSS-AAEUAGOBSA-N 0 3 364.431 -0.746 20 0 FBADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065071 843914988 /nfs/dbraw/zinc/91/49/88/843914988.db2.gz PDYLQNURSIJGSS-DGCLKSJQSA-N 0 3 364.431 -0.746 20 0 FBADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065072 843915152 /nfs/dbraw/zinc/91/51/52/843915152.db2.gz PDYLQNURSIJGSS-WCQYABFASA-N 0 3 364.431 -0.746 20 0 FBADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065073 843914730 /nfs/dbraw/zinc/91/47/30/843914730.db2.gz PDYLQNURSIJGSS-YPMHNXCESA-N 0 3 364.431 -0.746 20 0 FBADHN NC(C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1)C(F)(F)F ZINC001161066631 843914913 /nfs/dbraw/zinc/91/49/13/843914913.db2.gz BXBJTEHWUGQVGI-PSASIEDQSA-N 0 3 352.338 -0.150 20 0 FBADHN NC(C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1)C(F)(F)F ZINC001161066634 843915134 /nfs/dbraw/zinc/91/51/34/843915134.db2.gz BXBJTEHWUGQVGI-SCZZXKLOSA-N 0 3 352.338 -0.150 20 0 FBADHN NC(C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)C(F)(F)F ZINC001161066636 843915105 /nfs/dbraw/zinc/91/51/05/843915105.db2.gz BXBJTEHWUGQVGI-WCBMZHEXSA-N 0 3 352.338 -0.150 20 0 FBADHN NC(C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)C(F)(F)F ZINC001161066637 843915148 /nfs/dbraw/zinc/91/51/48/843915148.db2.gz BXBJTEHWUGQVGI-WPRPVWTQSA-N 0 3 352.338 -0.150 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066882 843915146 /nfs/dbraw/zinc/91/51/46/843915146.db2.gz DAKFJGCRICBSPE-HDODXQBNSA-N 0 3 374.488 -0.943 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066883 843915055 /nfs/dbraw/zinc/91/50/55/843915055.db2.gz DAKFJGCRICBSPE-RSPIHXBNSA-N 0 3 374.488 -0.943 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066884 843915080 /nfs/dbraw/zinc/91/50/80/843915080.db2.gz DAKFJGCRICBSPE-WCBZVUCDSA-N 0 3 374.488 -0.943 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066885 843914673 /nfs/dbraw/zinc/91/46/73/843914673.db2.gz DAKFJGCRICBSPE-YCDSQXFLSA-N 0 3 374.488 -0.943 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161084564 843915524 /nfs/dbraw/zinc/91/55/24/843915524.db2.gz ZUORWYYVILPSHP-FZMZJTMJSA-N 0 3 350.423 -0.680 20 0 FBADHN CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001161092919 843915680 /nfs/dbraw/zinc/91/56/80/843915680.db2.gz FNTLEKWGRGEWPH-SDDRHHMPSA-N 0 3 357.407 -0.912 20 0 FBADHN CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001161092920 843915802 /nfs/dbraw/zinc/91/58/02/843915802.db2.gz FNTLEKWGRGEWPH-SRVKXCTJSA-N 0 3 357.407 -0.912 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N(C)CCO ZINC001161110996 843916348 /nfs/dbraw/zinc/91/63/48/843916348.db2.gz STRMTJMQZOQKSY-IHRRRGAJSA-N 0 3 356.467 -0.694 20 0 FBADHN CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)C1 ZINC001161132423 843916164 /nfs/dbraw/zinc/91/61/64/843916164.db2.gz ZPVPVUNJWUSUHO-UBHSHLNASA-N 0 3 354.451 -0.234 20 0 FBADHN CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)C1 ZINC001161132455 843916514 /nfs/dbraw/zinc/91/65/14/843916514.db2.gz ZPVPVUNJWUSUHO-YUTCNCBUSA-N 0 3 354.451 -0.234 20 0 FBADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C1 ZINC001161139331 843916609 /nfs/dbraw/zinc/91/66/09/843916609.db2.gz RBRSOOGWSXADJO-TVQRCGJNSA-N 0 3 368.356 -0.735 20 0 FBADHN COC(=O)[C@]1(N)CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C1 ZINC001161139332 843916194 /nfs/dbraw/zinc/91/61/94/843916194.db2.gz RBRSOOGWSXADJO-ZANVPECISA-N 0 3 368.356 -0.735 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)Cc2nnc(C(F)(F)F)n21 ZINC001161145444 843916186 /nfs/dbraw/zinc/91/61/86/843916186.db2.gz DJOODYDGCANHKL-BDAKNGLRSA-N 0 3 360.340 -0.470 20 0 FBADHN C[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)Cc2nnc(C(F)(F)F)n21 ZINC001161145445 843916238 /nfs/dbraw/zinc/91/62/38/843916238.db2.gz DJOODYDGCANHKL-DTWKUNHWSA-N 0 3 360.340 -0.470 20 0 FBADHN C[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)Cc2nnc(C(F)(F)F)n21 ZINC001161145447 843916463 /nfs/dbraw/zinc/91/64/63/843916463.db2.gz DJOODYDGCANHKL-IUCAKERBSA-N 0 3 360.340 -0.470 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)Cc2nnc(C(F)(F)F)n21 ZINC001161145448 843916620 /nfs/dbraw/zinc/91/66/20/843916620.db2.gz DJOODYDGCANHKL-RKDXNWHRSA-N 0 3 360.340 -0.470 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)Cc2nnc(C(F)(F)F)n21 ZINC001161146103 843916281 /nfs/dbraw/zinc/91/62/81/843916281.db2.gz MJRKEKKDONRTRI-HTQZYQBOSA-N 0 3 363.344 -0.024 20 0 FBADHN C[C@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)Cc2nnc(C(F)(F)F)n21 ZINC001161146104 843916577 /nfs/dbraw/zinc/91/65/77/843916577.db2.gz MJRKEKKDONRTRI-JGVFFNPUSA-N 0 3 363.344 -0.024 20 0 FBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161170398 843917116 /nfs/dbraw/zinc/91/71/16/843917116.db2.gz DKJBDJMOCMBCFC-CFVMTHIKSA-N 0 3 351.451 -0.146 20 0 FBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161170399 843917018 /nfs/dbraw/zinc/91/70/18/843917018.db2.gz DKJBDJMOCMBCFC-QEJZJMRPSA-N 0 3 351.451 -0.146 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2=CCN(CCOCCO)CC2)O1 ZINC001161200146 843917733 /nfs/dbraw/zinc/91/77/33/843917733.db2.gz PIQYNRMTVPCIRC-LSDHHAIUSA-N 0 3 355.435 -0.833 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCC1=CCN(CCOCCO)CC1 ZINC001161220146 843918296 /nfs/dbraw/zinc/91/82/96/843918296.db2.gz WDUFNIGUCPFLPO-JKSUJKDBSA-N 0 3 353.463 -0.142 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@H](n3ccnn3)C2)COC1(C)C ZINC001161234561 843918181 /nfs/dbraw/zinc/91/81/81/843918181.db2.gz DBDPICCYEALWBI-AVGNSLFASA-N 0 3 350.423 -0.248 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@H](n3ccnn3)C2)COC1(C)C ZINC001161234562 843918092 /nfs/dbraw/zinc/91/80/92/843918092.db2.gz DBDPICCYEALWBI-XQQFMLRXSA-N 0 3 350.423 -0.248 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001161238019 843918284 /nfs/dbraw/zinc/91/82/84/843918284.db2.gz QHJJNMVECREJKM-KBPBESRZSA-N 0 3 364.833 -0.330 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001161238020 843917804 /nfs/dbraw/zinc/91/78/04/843917804.db2.gz QHJJNMVECREJKM-KGLIPLIRSA-N 0 3 364.833 -0.330 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001161238021 843918304 /nfs/dbraw/zinc/91/83/04/843918304.db2.gz QHJJNMVECREJKM-UONOGXRCSA-N 0 3 364.833 -0.330 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001161238022 843917900 /nfs/dbraw/zinc/91/79/00/843917900.db2.gz QHJJNMVECREJKM-ZIAGYGMSSA-N 0 3 364.833 -0.330 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCOC2(C)C)CC1 ZINC001161238808 843917676 /nfs/dbraw/zinc/91/76/76/843917676.db2.gz CCLISZGLKVNENM-RYUDHWBXSA-N 0 3 354.451 -0.499 20 0 FBADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247549 843918738 /nfs/dbraw/zinc/91/87/38/843918738.db2.gz IDAOBIJAZGYUAF-LBPRGKRZSA-N 0 3 350.423 -0.160 20 0 FBADHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248046 843918685 /nfs/dbraw/zinc/91/86/85/843918685.db2.gz PCDOFQCVOPWXJM-GFCCVEGCSA-N 0 3 350.423 -0.031 20 0 FBADHN CCS(=O)(=O)NC1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC001161260517 843918785 /nfs/dbraw/zinc/91/87/85/843918785.db2.gz PRPTXKDFKUMTMC-ZDUSSCGKSA-N 0 3 360.480 -0.744 20 0 FBADHN COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H](N)CN)CC2)cc1 ZINC001161264499 843918918 /nfs/dbraw/zinc/91/89/18/843918918.db2.gz NYHKUYBFHRFEQG-AWEZNQCLSA-N 0 3 356.448 -0.750 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC(NS(=O)(=O)CC)CC1 ZINC001161265220 843918958 /nfs/dbraw/zinc/91/89/58/843918958.db2.gz YRQFBEJBXFVAPO-FZMZJTMJSA-N 0 3 362.496 -0.594 20 0 FBADHN CNC(=O)NC1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CC1 ZINC001161268004 843918623 /nfs/dbraw/zinc/91/86/23/843918623.db2.gz BCOXLALKTWEAAJ-JQWIXIFHSA-N 0 3 355.439 -0.783 20 0 FBADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161268846 843919009 /nfs/dbraw/zinc/91/90/09/843919009.db2.gz NAKIPNSZZYYGJR-AWEZNQCLSA-N 0 3 350.423 -0.688 20 0 FBADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161268846 843919006 /nfs/dbraw/zinc/91/90/06/843919006.db2.gz NAKIPNSZZYYGJR-AWEZNQCLSA-N 0 3 350.423 -0.688 20 0 FBADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161268847 843918930 /nfs/dbraw/zinc/91/89/30/843918930.db2.gz NAKIPNSZZYYGJR-CQSZACIVSA-N 0 3 350.423 -0.688 20 0 FBADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161268847 843918928 /nfs/dbraw/zinc/91/89/28/843918928.db2.gz NAKIPNSZZYYGJR-CQSZACIVSA-N 0 3 350.423 -0.688 20 0 FBADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270101 843919083 /nfs/dbraw/zinc/91/90/83/843919083.db2.gz QSARTSMHCAAALO-AWEZNQCLSA-N 0 3 355.464 -0.304 20 0 FBADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270101 843919077 /nfs/dbraw/zinc/91/90/77/843919077.db2.gz QSARTSMHCAAALO-AWEZNQCLSA-N 0 3 355.464 -0.304 20 0 FBADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270102 843918906 /nfs/dbraw/zinc/91/89/06/843918906.db2.gz QSARTSMHCAAALO-CQSZACIVSA-N 0 3 355.464 -0.304 20 0 FBADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270102 843918904 /nfs/dbraw/zinc/91/89/04/843918904.db2.gz QSARTSMHCAAALO-CQSZACIVSA-N 0 3 355.464 -0.304 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270583 843919616 /nfs/dbraw/zinc/91/96/16/843919616.db2.gz UZNNZRCIMMCINZ-WHEQGISXSA-N 0 3 365.521 -0.501 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270584 843919514 /nfs/dbraw/zinc/91/95/14/843919514.db2.gz UZNNZRCIMMCINZ-XMHCIUCPSA-N 0 3 365.521 -0.501 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270743 843919383 /nfs/dbraw/zinc/91/93/83/843919383.db2.gz WVUFUKQCQLWWHG-RKNYENMMSA-N 0 3 360.480 -0.885 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270744 843919732 /nfs/dbraw/zinc/91/97/32/843919732.db2.gz WVUFUKQCQLWWHG-RZFZLAGVSA-N 0 3 360.480 -0.885 20 0 FBADHN Cn1cncc1C[C@H](N)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270871 843919554 /nfs/dbraw/zinc/91/95/54/843919554.db2.gz XVSYWABDEUVOSU-HNNXBMFYSA-N 0 3 369.491 -0.294 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC3(CCC(=O)N3)CC2)COC1(C)C ZINC001161298014 843920189 /nfs/dbraw/zinc/92/01/89/843920189.db2.gz DFJSSNCDXNRSFO-RYUDHWBXSA-N 0 3 352.435 -0.432 20 0 FBADHN COc1cnc(O[C@H]2CCN(C(=O)[C@H](N)CCCNC(N)=O)C2)nc1 ZINC001161298120 843920336 /nfs/dbraw/zinc/92/03/36/843920336.db2.gz GYECQFJVFAWPKL-CMPLNLGQSA-N 0 3 352.395 -0.759 20 0 FBADHN COc1cnc(O[C@@H]2CCN(C(=O)[C@H](N)CCCNC(N)=O)C2)nc1 ZINC001161298121 843920435 /nfs/dbraw/zinc/92/04/35/843920435.db2.gz GYECQFJVFAWPKL-ZYHUDNBSSA-N 0 3 352.395 -0.759 20 0 FBADHN COc1cc(N2CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2)ccn1 ZINC001161305838 843920274 /nfs/dbraw/zinc/92/02/74/843920274.db2.gz APIFXVUQHWYZNV-CYBMUJFWSA-N 0 3 350.423 -0.485 20 0 FBADHN Cc1cc(O[C@@H]2CCCN(C(=O)[C@H](N)CCCNC(N)=O)C2)ncn1 ZINC001161309723 843920446 /nfs/dbraw/zinc/92/04/46/843920446.db2.gz SWIZQSJUEJUUBC-CHWSQXEVSA-N 0 3 350.423 -0.069 20 0 FBADHN Cc1cc(O[C@H]2CCCN(C(=O)[C@H](N)CCCNC(N)=O)C2)ncn1 ZINC001161309725 843920136 /nfs/dbraw/zinc/92/01/36/843920136.db2.gz SWIZQSJUEJUUBC-QWHCGFSZSA-N 0 3 350.423 -0.069 20 0 FBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313061 843920345 /nfs/dbraw/zinc/92/03/45/843920345.db2.gz AODZUFUOTIKIEC-GFCCVEGCSA-N 0 3 354.386 -0.239 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313424 843920091 /nfs/dbraw/zinc/92/00/91/843920091.db2.gz LRRARXPQKMJHJD-CYBMUJFWSA-N 0 3 351.382 -0.684 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313425 843920385 /nfs/dbraw/zinc/92/03/85/843920385.db2.gz LRRARXPQKMJHJD-ZDUSSCGKSA-N 0 3 351.382 -0.684 20 0 FBADHN CC(C)N1CC2(CC1=O)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001161359790 843921912 /nfs/dbraw/zinc/92/19/12/843921912.db2.gz MVWPBLCYUOUDEV-AWEZNQCLSA-N 0 3 350.463 -0.434 20 0 FBADHN CC(C)N1CC2(CC1=O)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001161359791 843921572 /nfs/dbraw/zinc/92/15/72/843921572.db2.gz MVWPBLCYUOUDEV-CQSZACIVSA-N 0 3 350.463 -0.434 20 0 FBADHN COc1ccnc(OC2CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2)n1 ZINC001161367700 843921623 /nfs/dbraw/zinc/92/16/23/843921623.db2.gz PVIAMMXKGVEJFC-FNODVLLQSA-N 0 3 356.448 -0.049 20 0 FBADHN COc1ccnc(OC2CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2)n1 ZINC001161367701 843922070 /nfs/dbraw/zinc/92/20/70/843922070.db2.gz PVIAMMXKGVEJFC-MCFWBGNESA-N 0 3 356.448 -0.049 20 0 FBADHN COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001161374554 843921900 /nfs/dbraw/zinc/92/19/00/843921900.db2.gz XQWAZKDUSZOMCQ-MMPTUQATSA-N 0 3 357.407 -0.912 20 0 FBADHN COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001161374555 843921985 /nfs/dbraw/zinc/92/19/85/843921985.db2.gz XQWAZKDUSZOMCQ-XMZIXOGTSA-N 0 3 357.407 -0.912 20 0 FBADHN COc1cc(O[C@@H]2CCN(C(=O)[C@H](N)CCCNC(N)=O)C2)ccn1 ZINC001161393045 843922047 /nfs/dbraw/zinc/92/20/47/843922047.db2.gz CRUSMDXCRGWYBH-CHWSQXEVSA-N 0 3 351.407 -0.154 20 0 FBADHN COc1cc(O[C@H]2CCN(C(=O)[C@H](N)CCCNC(N)=O)C2)ccn1 ZINC001161393046 843921851 /nfs/dbraw/zinc/92/18/51/843921851.db2.gz CRUSMDXCRGWYBH-QWHCGFSZSA-N 0 3 351.407 -0.154 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(=O)NC3(CCCC3)C2)COC1(C)C ZINC001161415744 843922493 /nfs/dbraw/zinc/92/24/93/843922493.db2.gz BOFUXXXSESACMZ-RYUDHWBXSA-N 0 3 352.435 -0.432 20 0 FBADHN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)N3CCNC3)c2)cc1 ZINC001161417872 843922429 /nfs/dbraw/zinc/92/24/29/843922429.db2.gz YOZPBCMKWWXIAL-OAHLLOKOSA-N 0 3 363.443 -0.312 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCNC1 ZINC001161418815 843922842 /nfs/dbraw/zinc/92/28/42/843922842.db2.gz REUHTBFEJIMHGB-IHRRRGAJSA-N 0 3 353.467 -0.755 20 0 FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491982 843924260 /nfs/dbraw/zinc/92/42/60/843924260.db2.gz LDPVPXAXWOUDNQ-AXFHLTTASA-N 0 3 365.352 -0.164 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(N(C)[C@H]3CCOC3)C2)COC1(C)C ZINC001161500620 843924164 /nfs/dbraw/zinc/92/41/64/843924164.db2.gz RTCBPMJGAAAVSM-OBJOEFQTSA-N 0 3 354.451 -0.771 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CC1CCC1)C[C@@H]2C(=O)N(C)C ZINC001161506663 843923922 /nfs/dbraw/zinc/92/39/22/843923922.db2.gz NJZMGLGHVAPMLM-CABCVRRESA-N 0 3 350.463 -0.101 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CC1CCC1)C[C@H]2C(=O)N(C)C ZINC001161506664 843923994 /nfs/dbraw/zinc/92/39/94/843923994.db2.gz NJZMGLGHVAPMLM-GJZGRUSLSA-N 0 3 350.463 -0.101 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H](F)CCN1)C[C@H]2C(=O)N(C)C ZINC001161507036 843924826 /nfs/dbraw/zinc/92/48/26/843924826.db2.gz RCTJTBXQUJHSEA-IHRRRGAJSA-N 0 3 354.426 -0.528 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H](F)CCN1)C[C@@H]2C(=O)N(C)C ZINC001161507039 843924920 /nfs/dbraw/zinc/92/49/20/843924920.db2.gz RCTJTBXQUJHSEA-MJBXVCDLSA-N 0 3 354.426 -0.528 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)C(N)C(F)(F)F)C[C@@H]2C(=O)N(C)C ZINC001161507733 843924846 /nfs/dbraw/zinc/92/48/46/843924846.db2.gz UZGFFXMJUDQOHO-NXEZZACHSA-N 0 3 350.341 -0.729 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)C(N)C(F)(F)F)C[C@H]2C(=O)N(C)C ZINC001161507734 843924986 /nfs/dbraw/zinc/92/49/86/843924986.db2.gz UZGFFXMJUDQOHO-UWVGGRQHSA-N 0 3 350.341 -0.729 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)C(N)C(F)(F)F)C[C@H]2C(=O)N(C)C ZINC001161507735 843925021 /nfs/dbraw/zinc/92/50/21/843925021.db2.gz UZGFFXMJUDQOHO-VHSXEESVSA-N 0 3 350.341 -0.729 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)C(N)C(F)(F)F)C[C@@H]2C(=O)N(C)C ZINC001161507736 843924884 /nfs/dbraw/zinc/92/48/84/843924884.db2.gz UZGFFXMJUDQOHO-ZJUUUORDSA-N 0 3 350.341 -0.729 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001161515147 843924708 /nfs/dbraw/zinc/92/47/08/843924708.db2.gz WXYMADQCISWDQA-SDBXPKJASA-N 0 3 354.357 -0.443 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161519813 843924677 /nfs/dbraw/zinc/92/46/77/843924677.db2.gz DZRMKLZTFJHERR-NEPJUHHUSA-N 0 3 370.251 -0.251 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161519814 843924897 /nfs/dbraw/zinc/92/48/97/843924897.db2.gz DZRMKLZTFJHERR-VXGBXAGGSA-N 0 3 370.251 -0.251 20 0 FBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCn2ncc(Br)c2C1 ZINC001161524586 836089436 /nfs/dbraw/zinc/08/94/36/836089436.db2.gz XFVOKZGFZHGEEB-SECBINFHSA-N 0 3 359.228 -0.236 20 0 FBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCn2ncc(Br)c2C1 ZINC001161526784 843924955 /nfs/dbraw/zinc/92/49/55/843924955.db2.gz SEHOYIBJPRUXDW-JTQLQIEISA-N 0 3 356.224 -0.682 20 0 FBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCn2ncc(Br)c2C1 ZINC001161526787 843924908 /nfs/dbraw/zinc/92/49/08/843924908.db2.gz SEHOYIBJPRUXDW-SNVBAGLBSA-N 0 3 356.224 -0.682 20 0 FBADHN CN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COC(C)(C)C)C2 ZINC001161532295 843925075 /nfs/dbraw/zinc/92/50/75/843925075.db2.gz QCLOZMMBBKXHIF-KBPBESRZSA-N 0 3 352.479 -0.106 20 0 FBADHN N[C@H]1CCCCN(CC(=O)N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1=O ZINC001161601331 843925623 /nfs/dbraw/zinc/92/56/23/843925623.db2.gz DMNZLQJUNLFJBR-SOUVJXGZSA-N 0 3 356.442 -0.403 20 0 FBADHN CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001161601865 843925548 /nfs/dbraw/zinc/92/55/48/843925548.db2.gz MJJUWCDFIYFUFQ-SNVBAGLBSA-N 0 3 352.395 -0.785 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161602113 843925484 /nfs/dbraw/zinc/92/54/84/843925484.db2.gz RCWWUOXARQUJKW-AYDFFVQHSA-N 0 3 358.458 -0.253 20 0 FBADHN CCOC(=O)c1cn2nc([C@H]3CCCN(C(=O)[C@@H](N)CN)C3)sc2n1 ZINC001161608032 843925525 /nfs/dbraw/zinc/92/55/25/843925525.db2.gz NZCBWBAQCNDPLZ-UWVGGRQHSA-N 0 3 366.447 -0.041 20 0 FBADHN CCOC(=O)c1cn2nc([C@@H]3CCCN(C(=O)[C@@H](N)CN)C3)sc2n1 ZINC001161608033 843925309 /nfs/dbraw/zinc/92/53/09/843925309.db2.gz NZCBWBAQCNDPLZ-ZJUUUORDSA-N 0 3 366.447 -0.041 20 0 FBADHN COc1nc(NCCCN2CCN(C)CC2)nc(N2CCOCC2)n1 ZINC001161703912 843926575 /nfs/dbraw/zinc/92/65/75/843926575.db2.gz RBTOPNWDQZBEJE-UHFFFAOYSA-N 0 3 351.455 -0.812 20 0 FBADHN COC(=O)c1cnc(NCCCN2CCN(C)CC2)c(S(N)(=O)=O)c1 ZINC001161705743 843926229 /nfs/dbraw/zinc/92/62/29/843926229.db2.gz LXUXFDDUNNGIHL-UHFFFAOYSA-N 0 3 371.463 -0.435 20 0 FBADHN CN1CCN(CCCNc2ccc(=O)n(CCS(C)(=O)=O)c2)CC1 ZINC001161709597 843926682 /nfs/dbraw/zinc/92/66/82/843926682.db2.gz FDNVKIULOBTZEE-UHFFFAOYSA-N 0 3 356.492 -0.058 20 0 FBADHN CS(=O)(=O)N1CCN(c2cccc(NCC(=O)NC3CC3)n2)CC1 ZINC001161892596 843928527 /nfs/dbraw/zinc/92/85/27/843928527.db2.gz OOGUKTJFGLFJFL-UHFFFAOYSA-N 0 3 353.448 -0.146 20 0 FBADHN NC(=O)N[C@@H](CO)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001161976124 843928730 /nfs/dbraw/zinc/92/87/30/843928730.db2.gz DFVIXYUDIIYVFD-AWEZNQCLSA-N 0 3 350.419 -0.841 20 0 FBADHN NC(=O)N[C@H](CO)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001161976125 843928862 /nfs/dbraw/zinc/92/88/62/843928862.db2.gz DFVIXYUDIIYVFD-CQSZACIVSA-N 0 3 350.419 -0.841 20 0 FBADHN Cc1ncc(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)c(=O)[n-]1 ZINC001162298870 843932097 /nfs/dbraw/zinc/93/20/97/843932097.db2.gz XRRSJTIKLLEDKM-LLVKDONJSA-N 0 3 350.404 -0.622 20 0 FBADHN Cc1ncc(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)c(=O)[n-]1 ZINC001162298871 843932054 /nfs/dbraw/zinc/93/20/54/843932054.db2.gz XRRSJTIKLLEDKM-NSHDSACASA-N 0 3 350.404 -0.622 20 0 FBADHN COCC1(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN(CC(N)=O)CC1 ZINC001162320470 843932088 /nfs/dbraw/zinc/93/20/88/843932088.db2.gz MAUPXRZOMPAVAJ-ZIAGYGMSSA-N 0 3 356.467 -0.964 20 0 FBADHN CN1CCC(NC(=O)c2ccc(N[C@@H]3CCS(=O)(=O)C3)nn2)CC1 ZINC001162497999 843935826 /nfs/dbraw/zinc/93/58/26/843935826.db2.gz BIROCRMFVJQBFX-GFCCVEGCSA-N 0 3 353.448 -0.100 20 0 FBADHN CN1CCC(NC(=O)c2ccc(N[C@H]3CCS(=O)(=O)C3)nn2)CC1 ZINC001162498000 843935840 /nfs/dbraw/zinc/93/58/40/843935840.db2.gz BIROCRMFVJQBFX-LBPRGKRZSA-N 0 3 353.448 -0.100 20 0 FBADHN CN1CCO[C@@H](CNc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C1 ZINC001162682839 843936632 /nfs/dbraw/zinc/93/66/32/843936632.db2.gz IGRCYEHUIRRJII-AWEZNQCLSA-N 0 3 369.491 -0.094 20 0 FBADHN CN1CCO[C@H](CNc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C1 ZINC001162682840 843936781 /nfs/dbraw/zinc/93/67/81/843936781.db2.gz IGRCYEHUIRRJII-CQSZACIVSA-N 0 3 369.491 -0.094 20 0 FBADHN CCn1nncc1CNCCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001162793162 843936452 /nfs/dbraw/zinc/93/64/52/843936452.db2.gz PWKQEERVWRRMCX-KGLIPLIRSA-N 0 3 352.439 -0.293 20 0 FBADHN O=C(CNCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Nc1nncs1 ZINC001162833689 843937518 /nfs/dbraw/zinc/93/75/18/843937518.db2.gz XRYJGLGNXVUOOQ-OQEOFVATSA-N 0 3 351.432 -0.004 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001162947941 843938878 /nfs/dbraw/zinc/93/88/78/843938878.db2.gz DKEZHLFQDJEBLZ-NEPJUHHUSA-N 0 3 358.439 -0.550 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001162947942 843939092 /nfs/dbraw/zinc/93/90/92/843939092.db2.gz DKEZHLFQDJEBLZ-RYUDHWBXSA-N 0 3 358.439 -0.550 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC001162948090 843938797 /nfs/dbraw/zinc/93/87/97/843938797.db2.gz HPZMOURCVZHYDH-LLVKDONJSA-N 0 3 368.459 -0.136 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC001162948091 843938898 /nfs/dbraw/zinc/93/88/98/843938898.db2.gz HPZMOURCVZHYDH-NSHDSACASA-N 0 3 368.459 -0.136 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)NCCCNCC(=O)N[C@H](C)C(=O)N(C)C ZINC001162951773 843939238 /nfs/dbraw/zinc/93/92/38/843939238.db2.gz VQVKUKXSEOAOAG-MCIONIFRSA-N 0 3 356.467 -0.510 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)NCCCNCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001162951774 843939154 /nfs/dbraw/zinc/93/91/54/843939154.db2.gz VQVKUKXSEOAOAG-MJBXVCDLSA-N 0 3 356.467 -0.510 20 0 FBADHN CS(=O)(=O)CCn1cc(NCc2nnn3c2CNCCC3)ccc1=O ZINC001162978304 843938864 /nfs/dbraw/zinc/93/88/64/843938864.db2.gz YBCCBUNGJSEDPN-UHFFFAOYSA-N 0 3 366.447 -0.410 20 0 FBADHN O=C(CNCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1nncs1 ZINC001163031860 843939667 /nfs/dbraw/zinc/93/96/67/843939667.db2.gz LEHFEOHQHJIHBZ-GMXVVIOVSA-N 0 3 369.447 -0.376 20 0 FBADHN O=C(CNCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccon1 ZINC001163038037 843939717 /nfs/dbraw/zinc/93/97/17/843939717.db2.gz IGAQCWFNTZXBEO-SLEUVZQESA-N 0 3 352.391 -0.240 20 0 FBADHN C[C@@H]1CN(c2ccc(-n3c4[n-]c(=O)sc4c(=O)nc3N)nn2)CC[NH2+]1 ZINC001163039670 843939499 /nfs/dbraw/zinc/93/94/99/843939499.db2.gz KUMMECHNAUAPHW-SSDOTTSWSA-N 0 3 360.403 -0.039 20 0 FBADHN C[C@H]1CN(c2ccc(-n3c4[n-]c(=O)sc4c(=O)nc3N)nn2)CC[NH2+]1 ZINC001163039676 843939509 /nfs/dbraw/zinc/93/95/09/843939509.db2.gz KUMMECHNAUAPHW-ZETCQYMHSA-N 0 3 360.403 -0.039 20 0 FBADHN CCN(CC)CCNC(=N)Nc1ncc(S(N)(=O)=O)cc1C(=O)OC ZINC001163128582 843941594 /nfs/dbraw/zinc/94/15/94/843941594.db2.gz MCSAPJBBKMDSQN-UHFFFAOYSA-N 0 3 372.451 -0.206 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2nc3ncsc3c(N3CCOCC3)n2)N1 ZINC001163238021 843942111 /nfs/dbraw/zinc/94/21/11/843942111.db2.gz LJMWTYZKCILCQD-BJOHPYRUSA-N 0 3 361.431 -0.087 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2nc3ncsc3c(N3CCOCC3)n2)N1 ZINC001163238032 843942007 /nfs/dbraw/zinc/94/20/07/843942007.db2.gz LJMWTYZKCILCQD-PSLIRLAXSA-N 0 3 361.431 -0.087 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2nc3ncsc3c(N3CCOCC3)n2)N1 ZINC001163238036 843941951 /nfs/dbraw/zinc/94/19/51/843941951.db2.gz LJMWTYZKCILCQD-RFAUZJTJSA-N 0 3 361.431 -0.087 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2nc3ncsc3c(N3CCOCC3)n2)N1 ZINC001163238040 843942142 /nfs/dbraw/zinc/94/21/42/843942142.db2.gz LJMWTYZKCILCQD-VFZGTOFNSA-N 0 3 361.431 -0.087 20 0 FBADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NC[C@@H](O)CO ZINC001163350140 843942951 /nfs/dbraw/zinc/94/29/51/843942951.db2.gz STHXOPFTKHNQLQ-GXTWGEPZSA-N 0 3 355.435 -0.048 20 0 FBADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NC[C@@H](O)CO ZINC001163350142 843942980 /nfs/dbraw/zinc/94/29/80/843942980.db2.gz STHXOPFTKHNQLQ-TZMCWYRMSA-N 0 3 355.435 -0.048 20 0 FBADHN CN1CCC(N(CCO)C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC001163749805 843944629 /nfs/dbraw/zinc/94/46/29/843944629.db2.gz OXDRGRWKIFDVRX-UHFFFAOYSA-N 0 3 359.448 -0.143 20 0 FBADHN Cc1cc(CN)nn1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC001163979595 843945790 /nfs/dbraw/zinc/94/57/90/843945790.db2.gz FIVDZIIUFYRLGJ-UHFFFAOYSA-N 0 3 350.448 -0.029 20 0 FBADHN Cc1cc(CN)nn1-c1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC001163980523 843945862 /nfs/dbraw/zinc/94/58/62/843945862.db2.gz XWILTBZBSMQZGX-UHFFFAOYSA-N 0 3 350.448 -0.029 20 0 FBADHN CS(=O)(=O)N1CCN(c2cccc(NC[C@H]3CCC(=O)N3)n2)CC1 ZINC001164161339 843946599 /nfs/dbraw/zinc/94/65/99/843946599.db2.gz DRJTUAGMBRUXAR-GFCCVEGCSA-N 0 3 353.448 -0.146 20 0 FBADHN CS(=O)(=O)N1CCN(c2cccc(NC[C@@H]3CCC(=O)N3)n2)CC1 ZINC001164161341 843946844 /nfs/dbraw/zinc/94/68/44/843946844.db2.gz DRJTUAGMBRUXAR-LBPRGKRZSA-N 0 3 353.448 -0.146 20 0 FBADHN CN(c1nc(Cl)nc2c1CS(=O)(=O)CC2)S(=O)(=O)CCN ZINC001164287023 843947379 /nfs/dbraw/zinc/94/73/79/843947379.db2.gz ALMYORIRHNJDRK-UHFFFAOYSA-N 0 3 354.841 -0.674 20 0 FBADHN CN(c1ncc(S(N)(=O)=O)cc1C(F)(F)F)S(=O)(=O)CCN ZINC001164287034 843947916 /nfs/dbraw/zinc/94/79/16/843947916.db2.gz HRQZQJGOWGRKAD-UHFFFAOYSA-N 0 3 362.355 -0.528 20 0 FBADHN CCc1c(Cl)nc(S(C)(=O)=O)nc1N(C)S(=O)(=O)CCN ZINC001164287198 843947905 /nfs/dbraw/zinc/94/79/05/843947905.db2.gz LXDHJJKDTARUAL-UHFFFAOYSA-N 0 3 356.857 -0.179 20 0 FBADHN CCOC(=O)C(C(=O)OCC)c1ccnc(N(C)S(=O)(=O)CCN)n1 ZINC001164287380 843947237 /nfs/dbraw/zinc/94/72/37/843947237.db2.gz POXMIUPEZWDOQZ-UHFFFAOYSA-N 0 3 374.419 -0.589 20 0 FBADHN COC(=O)[C@@H]1CCCN(c2ccc(N(C)S(=O)(=O)CCN)nn2)C1 ZINC001164287462 843947931 /nfs/dbraw/zinc/94/79/31/843947931.db2.gz RMTHMLXEQCNDGV-LLVKDONJSA-N 0 3 357.436 -0.409 20 0 FBADHN COC(=O)[C@H]1CCCN(c2ccc(N(C)S(=O)(=O)CCN)nn2)C1 ZINC001164287463 843947533 /nfs/dbraw/zinc/94/75/33/843947533.db2.gz RMTHMLXEQCNDGV-NSHDSACASA-N 0 3 357.436 -0.409 20 0 FBADHN COC(=O)C1CCN(c2cc(N(C)S(=O)(=O)CCN)ncn2)CC1 ZINC001164287924 843947449 /nfs/dbraw/zinc/94/74/49/843947449.db2.gz YPRIHDQIIZJPJX-UHFFFAOYSA-N 0 3 357.436 -0.409 20 0 FBADHN CN(c1nc2ncsc2c(N2CCOCC2)n1)S(=O)(=O)CCN ZINC001164288303 843947247 /nfs/dbraw/zinc/94/72/47/843947247.db2.gz NONWJMBXJMFPIG-UHFFFAOYSA-N 0 3 358.449 -0.352 20 0 FBADHN CN(c1ccc(S(=O)(=O)NC(C)(C)C)cn1)S(=O)(=O)CCN ZINC001164292017 838166681 /nfs/dbraw/zinc/16/66/81/838166681.db2.gz ACAKQUCLSFHRCY-UHFFFAOYSA-N 0 3 350.466 -0.117 20 0 FBADHN CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)S(=O)(=O)CCN ZINC001164292268 843947719 /nfs/dbraw/zinc/94/77/19/843947719.db2.gz ICBOITUGADERAJ-UHFFFAOYSA-N 0 3 370.884 -0.038 20 0 FBADHN CN(c1ccc(S(=O)(=O)NCc2ccco2)cn1)S(=O)(=O)CCN ZINC001164292294 843947803 /nfs/dbraw/zinc/94/78/03/843947803.db2.gz INFZWGXMFYRSQK-UHFFFAOYSA-N 0 3 374.444 -0.122 20 0 FBADHN CCNS(=O)(=O)c1cnc(N(C)S(=O)(=O)CCN)c(Cl)c1 ZINC001164292547 843947546 /nfs/dbraw/zinc/94/75/46/843947546.db2.gz QLCNNEKMXXPVFX-UHFFFAOYSA-N 0 3 356.857 -0.242 20 0 FBADHN CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)CCN ZINC001164296319 843947561 /nfs/dbraw/zinc/94/75/61/843947561.db2.gz FDWFANSHIGTUDG-UHFFFAOYSA-N 0 3 363.461 -0.568 20 0 FBADHN Cc1nc(N)nc2c1nc(N(C)S(=O)(=O)CCN)c(=O)n2C(C)C ZINC001164296667 843947463 /nfs/dbraw/zinc/94/74/63/843947463.db2.gz KKPKFHYXLWCBQZ-UHFFFAOYSA-N 0 3 355.424 -0.617 20 0 FBADHN CN(c1ccc(I)c(N)n1)S(=O)(=O)CCN ZINC001164296754 843947867 /nfs/dbraw/zinc/94/78/67/843947867.db2.gz OETBTFVYFXUNDS-UHFFFAOYSA-N 0 3 356.189 -0.007 20 0 FBADHN CCOC(=O)[C@@H]1NC(=O)c2cc(N(C)S(=O)(=O)CCN)ccc2O1 ZINC001164297074 843947494 /nfs/dbraw/zinc/94/74/94/843947494.db2.gz JLOJCVQMXCDION-CYBMUJFWSA-N 0 3 357.388 -0.577 20 0 FBADHN CCOC(=O)[C@H]1NC(=O)c2cc(N(C)S(=O)(=O)CCN)ccc2O1 ZINC001164297075 843947392 /nfs/dbraw/zinc/94/73/92/843947392.db2.gz JLOJCVQMXCDION-ZDUSSCGKSA-N 0 3 357.388 -0.577 20 0 FBADHN C[C@H]1C(=O)NN=C2COc3ccc(N(C)S(=O)(=O)CCN)cc3N21 ZINC001164297376 843947520 /nfs/dbraw/zinc/94/75/20/843947520.db2.gz USLGLQLUQVLLDL-VIFPVBQESA-N 0 3 353.404 -0.558 20 0 FBADHN COC(=O)c1ccc(S(C)(=O)=O)c(N(C)S(=O)(=O)CCN)c1 ZINC001164297511 843947626 /nfs/dbraw/zinc/94/76/26/843947626.db2.gz WGYRBAYSBMEWQR-UHFFFAOYSA-N 0 3 350.418 -0.399 20 0 FBADHN O=C(c1ccc(-n2cnc3c2CNCC3)nc1)N1CCS(=O)(=O)CC1 ZINC001164317129 843947844 /nfs/dbraw/zinc/94/78/44/843947844.db2.gz NAQWDCHABAVDCM-UHFFFAOYSA-N 0 3 361.427 -0.216 20 0 FBADHN COCCN1CCN(C)C2(CCN(c3ncnc4c3CCNC4)CC2)C1=O ZINC001164635439 719270577 /nfs/dbraw/zinc/27/05/77/719270577.db2.gz QXBARSWHAUHKDV-UHFFFAOYSA-N 0 3 374.489 -0.118 20 0 FBADHN COCCN1CCN(C)C2(CCN(c3ncc4c(n3)CCNC4)CC2)C1=O ZINC001164635460 719270281 /nfs/dbraw/zinc/27/02/81/719270281.db2.gz RIOPWHDLDHDTBA-UHFFFAOYSA-N 0 3 374.489 -0.118 20 0 FBADHN COCCN1CCN(C)C2(CCN(c3cc4c(nn3)CCNC4)CC2)C1=O ZINC001164639179 719277387 /nfs/dbraw/zinc/27/73/87/719277387.db2.gz JJUHHSSCARVWCS-UHFFFAOYSA-N 0 3 374.489 -0.118 20 0 FBADHN c1nc(N2CCn3c(CN4CCOCC4)nnc3C2)nc2c1CNCC2 ZINC001164676884 719572774 /nfs/dbraw/zinc/57/27/74/719572774.db2.gz QBZNANVHAMWWIY-UHFFFAOYSA-N 0 3 356.434 -0.434 20 0 FBADHN c1c2c(nnc1N1CCn3c(CN4CCOCC4)nnc3C1)CCNC2 ZINC001164678517 719581998 /nfs/dbraw/zinc/58/19/98/719581998.db2.gz NNILVFDZYIHUNG-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/04/83/09/720048309.db2.gz GBHZQBYLNKAGHS-UHFFFAOYSA-N 0 3 370.461 -0.381 20 0 FBADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncnc4c3CCNC4)C2)C1 ZINC001164717252 720226331 /nfs/dbraw/zinc/22/63/31/720226331.db2.gz HJMDPFSBWWAGLR-IBGZPJMESA-N 0 3 374.489 -0.213 20 0 FBADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncnc4c3CCNC4)C2)C1 ZINC001164717253 720227807 /nfs/dbraw/zinc/22/78/07/720227807.db2.gz HJMDPFSBWWAGLR-LJQANCHMSA-N 0 3 374.489 -0.213 20 0 FBADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncc4c(n3)CCNC4)C2)C1 ZINC001164719246 720222847 /nfs/dbraw/zinc/22/28/47/720222847.db2.gz PKRYZKYGHHOSIQ-IBGZPJMESA-N 0 3 374.489 -0.213 20 0 FBADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncc4c(n3)CCNC4)C2)C1 ZINC001164719247 720223729 /nfs/dbraw/zinc/22/37/29/720223729.db2.gz PKRYZKYGHHOSIQ-LJQANCHMSA-N 0 3 374.489 -0.213 20 0 FBADHN Cn1nnc2c1ncnc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746792 720766550 /nfs/dbraw/zinc/76/65/50/720766550.db2.gz YNVFEOZCUQPTGJ-NEPJUHHUSA-N 0 3 353.390 -0.110 20 0 FBADHN Cn1nnc2c1ncnc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746794 720767451 /nfs/dbraw/zinc/76/74/51/720767451.db2.gz YNVFEOZCUQPTGJ-NWDGAFQWSA-N 0 3 353.390 -0.110 20 0 FBADHN Cn1nnc2c1ncnc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746796 720766884 /nfs/dbraw/zinc/76/68/84/720766884.db2.gz YNVFEOZCUQPTGJ-RYUDHWBXSA-N 0 3 353.390 -0.110 20 0 FBADHN Cn1nnc2c1ncnc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746798 720766536 /nfs/dbraw/zinc/76/65/36/720766536.db2.gz YNVFEOZCUQPTGJ-VXGBXAGGSA-N 0 3 353.390 -0.110 20 0 FBADHN CN(C)C(=O)CN1CCOCC2(CCN(c3cc(CN)ncn3)CC2)C1 ZINC001164870461 721267960 /nfs/dbraw/zinc/26/79/60/721267960.db2.gz ZETQLLSCHJCCSL-UHFFFAOYSA-N 0 3 362.478 -0.058 20 0 FBADHN O=C(c1ccc(-n2ncc3c2CCNC3)nc1)N1CCS(=O)(=O)CC1 ZINC001165223927 843950720 /nfs/dbraw/zinc/95/07/20/843950720.db2.gz WWAVVSVZFVTLJW-UHFFFAOYSA-N 0 3 361.427 -0.216 20 0 FBADHN O=S(=O)(c1cccnc1N1CC[C@@H]2NCCO[C@H]2C1)N1CCOCC1 ZINC001165270463 843950745 /nfs/dbraw/zinc/95/07/45/843950745.db2.gz GAKWMQPKEFKOQL-KBPBESRZSA-N 0 3 368.459 -0.330 20 0 FBADHN CCOC(=O)c1cnc([S@@](C)=O)nc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165274085 843950900 /nfs/dbraw/zinc/95/09/00/843950900.db2.gz GRKGJRHHOBCVQJ-BGBYCUJFSA-N 0 3 354.432 -0.042 20 0 FBADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165274086 843950696 /nfs/dbraw/zinc/95/06/96/843950696.db2.gz GRKGJRHHOBCVQJ-CTRJTCCGSA-N 0 3 354.432 -0.042 20 0 FBADHN COC(=O)c1cc(S(N)(=O)=O)cnc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165274282 843950622 /nfs/dbraw/zinc/95/06/22/843950622.db2.gz MGQYNKYUKNFFNZ-RYUDHWBXSA-N 0 3 356.404 -0.917 20 0 FBADHN O=S(=O)(c1ccc(N2CC[C@@H]3NCCO[C@H]3C2)nc1)N1CCOCC1 ZINC001165275006 843951110 /nfs/dbraw/zinc/95/11/10/843951110.db2.gz WOSBQOGZEJAOHX-GJZGRUSLSA-N 0 3 368.459 -0.330 20 0 FBADHN CCN(CC(=O)NC(C)C)C(=O)CSc1nnnn1CCN(C)C ZINC001165480461 843953071 /nfs/dbraw/zinc/95/30/71/843953071.db2.gz DXILWGGRUMPGGO-UHFFFAOYSA-N 0 3 357.484 -0.300 20 0 FBADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)c1ncnc2c1CCNC2 ZINC001165500188 843952941 /nfs/dbraw/zinc/95/29/41/843952941.db2.gz IAHNHTQQHMSIRK-UHFFFAOYSA-N 0 3 364.431 -0.278 20 0 FBADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)c1ncc2c(n1)CNC2 ZINC001165500202 843953259 /nfs/dbraw/zinc/95/32/59/843953259.db2.gz IONFVPNGSGHMQO-UHFFFAOYSA-N 0 3 350.404 -0.320 20 0 FBADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)c1ncc2c(n1)CCNC2 ZINC001165500229 843953196 /nfs/dbraw/zinc/95/31/96/843953196.db2.gz JIWLKRQKVVSZPU-UHFFFAOYSA-N 0 3 364.431 -0.278 20 0 FBADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)c1cc2c(nn1)CCNC2 ZINC001165501109 843952759 /nfs/dbraw/zinc/95/27/59/843952759.db2.gz WYZVBFHFVCVILY-UHFFFAOYSA-N 0 3 364.431 -0.278 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(CNCc3nncn3C)CC2)O1 ZINC001165711278 843953602 /nfs/dbraw/zinc/95/36/02/843953602.db2.gz LQKGMUGKUYHSKQ-ZIAGYGMSSA-N 0 3 350.467 -0.090 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(CNCc3nnnn3C)CC2)O1 ZINC001165711610 843953752 /nfs/dbraw/zinc/95/37/52/843953752.db2.gz SRAMQHWOAJNDOM-CHWSQXEVSA-N 0 3 351.455 -0.695 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(CNCc3cnn(C)n3)CC2)O1 ZINC001165727525 843953948 /nfs/dbraw/zinc/95/39/48/843953948.db2.gz CCLMPCQIDJIBIP-UKRRQHHQSA-N 0 3 350.467 -0.090 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(CNCc3ncnn3C)CC2)O1 ZINC001165727779 843953410 /nfs/dbraw/zinc/95/34/10/843953410.db2.gz IFVZYSJYQOVMEZ-ZIAGYGMSSA-N 0 3 350.467 -0.090 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(CNCc3cn(C)nn3)CC2)O1 ZINC001165727802 843953516 /nfs/dbraw/zinc/95/35/16/843953516.db2.gz INOIJWLMTKISLF-UKRRQHHQSA-N 0 3 350.467 -0.090 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCC2(CNCc3cnnn3C)CC2)O1 ZINC001165727875 843953628 /nfs/dbraw/zinc/95/36/28/843953628.db2.gz JHSYFGKFHBTJSZ-UKRRQHHQSA-N 0 3 350.467 -0.090 20 0 FBADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ncc4c(n3)CCNC4)C[C@H]2C1 ZINC001166224901 843955987 /nfs/dbraw/zinc/95/59/87/843955987.db2.gz XHMDCQHJWVVRPP-OCCSQVGLSA-N 0 3 366.491 -0.313 20 0 FBADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cc4c(nn3)CCNC4)C[C@H]2C1 ZINC001166225784 843955717 /nfs/dbraw/zinc/95/57/17/843955717.db2.gz OBHHMLLBCXVHTH-OCCSQVGLSA-N 0 3 366.491 -0.313 20 0 FBADHN CN(C)C(=O)CN1C[C@H]2CCN(c3cccc(N)n3)CC[C@H]2S1(=O)=O ZINC001166332096 843956881 /nfs/dbraw/zinc/95/68/81/843956881.db2.gz LEYIJZIMWJPHOU-CHWSQXEVSA-N 0 3 367.475 -0.018 20 0 FBADHN Cc1csc(NC(=O)CNCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001166565046 843957720 /nfs/dbraw/zinc/95/77/20/843957720.db2.gz BYYMGCUYDQULAW-WDEREUQCSA-N 0 3 369.447 -0.481 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)no1 ZINC001166565162 843957699 /nfs/dbraw/zinc/95/76/99/843957699.db2.gz CXJRCTFQVYTXSQ-WDEREUQCSA-N 0 3 353.379 -0.950 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)on1 ZINC001166565277 843957778 /nfs/dbraw/zinc/95/77/78/843957778.db2.gz FXENYKZRWKGYOO-WDEREUQCSA-N 0 3 353.379 -0.950 20 0 FBADHN C[C@H](NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)Nc1nccs1 ZINC001166565644 843957824 /nfs/dbraw/zinc/95/78/24/843957824.db2.gz LJKPEFYBUPJVPK-GARJFASQSA-N 0 3 369.447 -0.401 20 0 FBADHN C[C@@H](NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)Nc1nccs1 ZINC001166565645 843957508 /nfs/dbraw/zinc/95/75/08/843957508.db2.gz LJKPEFYBUPJVPK-OUAUKWLOSA-N 0 3 369.447 -0.401 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCCNCC(=O)Nc2nccs2)O1 ZINC001166566416 843958371 /nfs/dbraw/zinc/95/83/71/843958371.db2.gz ZMYSWYKVRZRCGO-VHSXEESVSA-N 0 3 355.420 -0.790 20 0 FBADHN CCn1nncc1CNCCCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001166570041 843958384 /nfs/dbraw/zinc/95/83/84/843958384.db2.gz MVJWIXMHDIECTI-KGLIPLIRSA-N 0 3 352.439 -0.470 20 0 FBADHN Cc1cc(CNCCCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)nn1C ZINC001166570046 843958543 /nfs/dbraw/zinc/95/85/43/843958543.db2.gz NGOQQPAHPDCEDG-CABCVRRESA-N 0 3 351.451 -0.040 20 0 FBADHN CN(C(=O)CNCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nccs1 ZINC001166575064 843958986 /nfs/dbraw/zinc/95/89/86/843958986.db2.gz MHUIOMHYKNDZCQ-WDEREUQCSA-N 0 3 369.447 -0.765 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCNCC(=O)Nc1nccs1 ZINC001166764648 843961800 /nfs/dbraw/zinc/96/18/00/843961800.db2.gz JGNGPEJPXDFKPD-WDEREUQCSA-N 0 3 353.448 -0.098 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)on1 ZINC001166765120 843961687 /nfs/dbraw/zinc/96/16/87/843961687.db2.gz SFMHZOFIQKKHFA-NWDGAFQWSA-N 0 3 351.407 -0.258 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)no1 ZINC001166768922 843961930 /nfs/dbraw/zinc/96/19/30/843961930.db2.gz HVTQGKIHHJYXMU-NWDGAFQWSA-N 0 3 351.407 -0.258 20 0 FBADHN Cc1nnc(NC(=O)CNCCCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)s1 ZINC001166769056 843961887 /nfs/dbraw/zinc/96/18/87/843961887.db2.gz KHNTWANOHDZZPP-WDEREUQCSA-N 0 3 368.463 -0.395 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166769290 843961834 /nfs/dbraw/zinc/96/18/34/843961834.db2.gz QKIRSMJQLFUQKM-VHSXEESVSA-N 0 3 354.436 -0.703 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCNCC(=O)N(C)c1nccs1 ZINC001166772680 843962456 /nfs/dbraw/zinc/96/24/56/843962456.db2.gz LYDCKROIYXUBTG-NWDGAFQWSA-N 0 3 367.475 -0.074 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)on1 ZINC001166773347 843962247 /nfs/dbraw/zinc/96/22/47/843962247.db2.gz YNGVZXQCCGIENL-NEPJUHHUSA-N 0 3 351.407 -0.081 20 0 FBADHN Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)no1 ZINC001166781653 843962571 /nfs/dbraw/zinc/96/25/71/843962571.db2.gz FGNWQQYNGWJYLS-NEPJUHHUSA-N 0 3 351.407 -0.081 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001166782306 843962536 /nfs/dbraw/zinc/96/25/36/843962536.db2.gz HDLQGMZZVRFIHP-ZJUUUORDSA-N 0 3 354.436 -0.526 20 0 FBADHN Cc1nnc(NC(=O)CNCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)s1 ZINC001166782705 843962331 /nfs/dbraw/zinc/96/23/31/843962331.db2.gz KTXDPAAPPNPZIH-MNOVXSKESA-N 0 3 368.463 -0.217 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCNCCS(=O)(=O)c1ccccc1 ZINC001166789169 843962291 /nfs/dbraw/zinc/96/22/91/843962291.db2.gz IRPREYHWCVCPEJ-KGLIPLIRSA-N 0 3 353.444 -0.322 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCNCC(=O)Nc1nc2c(s1)CCC2 ZINC001166789439 843962307 /nfs/dbraw/zinc/96/23/07/843962307.db2.gz SDRQYKHXLDQPGN-ZJUUUORDSA-N 0 3 365.459 -0.212 20 0 FBADHN CCCn1nccc1NC(=O)CNCCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166796404 843963012 /nfs/dbraw/zinc/96/30/12/843963012.db2.gz IZQHKWYNOGYLQR-NEPJUHHUSA-N 0 3 350.423 -0.551 20 0 FBADHN Cc1nn(C)c(C)c1NC(=O)CNCCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166797120 843963095 /nfs/dbraw/zinc/96/30/95/843963095.db2.gz XMRPUBXRDMGNME-NEPJUHHUSA-N 0 3 350.423 -0.807 20 0 FBADHN COC(=O)C1(N)CCN(c2ncnc3[nH]cc(S(C)(=O)=O)c32)CC1 ZINC001166797507 843962885 /nfs/dbraw/zinc/96/28/85/843962885.db2.gz QTEXTYCRTJGBRV-UHFFFAOYSA-N 0 3 353.404 -0.168 20 0 FBADHN Cc1nn2c(nc(CNCCCNC(=O)[C@H]3C[C@H]3C(N)=O)cc2=O)s1 ZINC001166805986 843962953 /nfs/dbraw/zinc/96/29/53/843962953.db2.gz TXHAFPHUZXYLFJ-MNOVXSKESA-N 0 3 364.431 -0.823 20 0 FBADHN CC(C)n1nccc1NC(=O)CNCCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166819504 843963041 /nfs/dbraw/zinc/96/30/41/843963041.db2.gz CJSDZAWSCVZUEB-NEPJUHHUSA-N 0 3 350.423 -0.380 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NCCCNCC(=O)NCC(=O)NC(C)(C)C ZINC001166937615 843963700 /nfs/dbraw/zinc/96/37/00/843963700.db2.gz NVGUEWBWIDVCLC-DOMZBBRYSA-N 0 3 356.467 -0.462 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)NCCCNCC(=O)NCC(=O)N1CCCC1 ZINC001166952956 843964137 /nfs/dbraw/zinc/96/41/37/843964137.db2.gz DOYANHFGWJEFGK-CJNGLKHVSA-N 0 3 354.451 -0.754 20 0 FBADHN CS(=O)(=O)N(c1nc(N2CCOCC2)nc2c1CCN2)C1CNC1 ZINC001166966147 843964953 /nfs/dbraw/zinc/96/49/53/843964953.db2.gz CCYSISLJAIIOTO-UHFFFAOYSA-N 0 3 354.436 -0.981 20 0 FBADHN COC(=O)C1CCN(c2ccc(N(C3CNC3)S(C)(=O)=O)nn2)CC1 ZINC001166968836 843964813 /nfs/dbraw/zinc/96/48/13/843964813.db2.gz NFJKYPGKPQXKIS-UHFFFAOYSA-N 0 3 369.447 -0.396 20 0 FBADHN CN1c2cnc(N(C3CNC3)S(C)(=O)=O)nc2N2CCC[C@@H]2C1=O ZINC001166969808 843964759 /nfs/dbraw/zinc/96/47/59/843964759.db2.gz XSVMBBBLFRFMPR-SNVBAGLBSA-N 0 3 352.420 -0.840 20 0 FBADHN CS(=O)(=O)N(c1ccc(S(=O)(=O)N2CCCC2)cn1)C1CNC1 ZINC001166969939 843964904 /nfs/dbraw/zinc/96/49/04/843964904.db2.gz ACKYXKKSUMXLLJ-UHFFFAOYSA-N 0 3 360.461 -0.396 20 0 FBADHN CCOC(=O)N1CCc2nnc(N(C3CNC3)S(C)(=O)=O)cc2C1 ZINC001166969940 843964943 /nfs/dbraw/zinc/96/49/43/843964943.db2.gz ACVBMWWVDKRALF-UHFFFAOYSA-N 0 3 355.420 -0.271 20 0 FBADHN CS(=O)(=O)N(c1ncccc1S(=O)(=O)N1CCCC1)C1CNC1 ZINC001166969945 843964707 /nfs/dbraw/zinc/96/47/07/843964707.db2.gz ANHDPPUPHFVNEN-UHFFFAOYSA-N 0 3 360.461 -0.396 20 0 FBADHN CS(=O)(=O)N(c1ccc(S(=O)(=O)N2CCCCC2)cn1)C1CNC1 ZINC001166969948 843964553 /nfs/dbraw/zinc/96/45/53/843964553.db2.gz ANZDHAPINDYUQL-UHFFFAOYSA-N 0 3 374.488 -0.006 20 0 FBADHN CCN(CC)S(=O)(=O)c1ccc(N(C2CNC2)S(C)(=O)=O)nc1 ZINC001166970227 843964917 /nfs/dbraw/zinc/96/49/17/843964917.db2.gz HUARUBCIYLCBHY-UHFFFAOYSA-N 0 3 362.477 -0.150 20 0 FBADHN CCOC(=O)c1nc2ccn(C)c2c(N(C2CNC2)S(C)(=O)=O)n1 ZINC001166970287 843964595 /nfs/dbraw/zinc/96/45/95/843964595.db2.gz JGJLOPOJTLTASF-UHFFFAOYSA-N 0 3 353.404 -0.117 20 0 FBADHN COC(=O)C1CCN(c2ccnc(N(C3CNC3)S(C)(=O)=O)n2)CC1 ZINC001166970307 843964590 /nfs/dbraw/zinc/96/45/90/843964590.db2.gz JOVNXTKYBWDNAX-UHFFFAOYSA-N 0 3 369.447 -0.396 20 0 FBADHN COC(=O)C1CCN(c2nccnc2N(C2CNC2)S(C)(=O)=O)CC1 ZINC001166970459 843964490 /nfs/dbraw/zinc/96/44/90/843964490.db2.gz NKNRGSZWGKUTEW-UHFFFAOYSA-N 0 3 369.447 -0.396 20 0 FBADHN CC1(C)NC(=O)N(Cc2ccc(N(C3CNC3)S(C)(=O)=O)nc2)C1=O ZINC001166970639 843964575 /nfs/dbraw/zinc/96/45/75/843964575.db2.gz RIYVTOYRSGOQHZ-UHFFFAOYSA-N 0 3 367.431 -0.350 20 0 FBADHN CS(=O)(=O)N(c1nc(N2CCCC2)nc(N2CCCC2)n1)C1CNC1 ZINC001166970685 843964800 /nfs/dbraw/zinc/96/48/00/843964800.db2.gz SKHRLRVPACDGOP-UHFFFAOYSA-N 0 3 367.479 -0.190 20 0 FBADHN CS(=O)(=O)N(c1cc(S(=O)(=O)N2CCCC2)ccn1)C1CNC1 ZINC001166970696 843964642 /nfs/dbraw/zinc/96/46/42/843964642.db2.gz SROYWNBBORVCTM-UHFFFAOYSA-N 0 3 360.461 -0.396 20 0 FBADHN CS(=O)(=O)N(c1ncccc1S(=O)(=O)N1CCCCC1)C1CNC1 ZINC001166970814 843964659 /nfs/dbraw/zinc/96/46/59/843964659.db2.gz VZEDGZZJRNYKPE-UHFFFAOYSA-N 0 3 374.488 -0.006 20 0 FBADHN CS(=O)(=O)N(c1ccc(C(=O)NC2CCOCC2)nn1)C1CNC1 ZINC001166970915 843964540 /nfs/dbraw/zinc/96/45/40/843964540.db2.gz ZLKZMLRHWWQWTB-UHFFFAOYSA-N 0 3 355.420 -0.877 20 0 FBADHN CCOC(=O)[C@H]1CCc2nnc(N(C3CNC3)S(C)(=O)=O)cc2C1 ZINC001166971985 843964466 /nfs/dbraw/zinc/96/44/66/843964466.db2.gz MSNMZOCKJJCDNB-JTQLQIEISA-N 0 3 354.432 -0.118 20 0 FBADHN CCOC(=O)[C@@H]1CCc2nnc(N(C3CNC3)S(C)(=O)=O)cc2C1 ZINC001166971986 843964472 /nfs/dbraw/zinc/96/44/72/843964472.db2.gz MSNMZOCKJJCDNB-SNVBAGLBSA-N 0 3 354.432 -0.118 20 0 FBADHN NC(=O)C1CCN(C(=O)C2CCN(CCN3CCOC3=O)CC2)CC1 ZINC001167032352 843965508 /nfs/dbraw/zinc/96/55/08/843965508.db2.gz VVIQRAPQSOUSQG-UHFFFAOYSA-N 0 3 352.435 -0.126 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)NCCCNCC(=O)NCC(=O)NC(C)(C)C)O1 ZINC001167052098 835975157 /nfs/dbraw/zinc/97/51/57/835975157.db2.gz KCLAUKCDJLPROR-CHWSQXEVSA-N 0 3 356.467 -0.319 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)NCCCNCC(=O)NCC(=O)N2CCCC2)O1 ZINC001167065485 835977536 /nfs/dbraw/zinc/97/75/36/835977536.db2.gz RKZDYWQNMMOGTQ-ZIAGYGMSSA-N 0 3 354.451 -0.612 20 0 FBADHN C[C@H](NC(=O)CNCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N(C)C ZINC001167093012 835982488 /nfs/dbraw/zinc/98/24/88/835982488.db2.gz JYULZOIYVVHBLK-DGAVXFQQSA-N 0 3 354.451 -0.757 20 0 FBADHN C[C@@H](NC(=O)CNCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N(C)C ZINC001167093013 835982581 /nfs/dbraw/zinc/98/25/81/835982581.db2.gz JYULZOIYVVHBLK-SYQHCUMBSA-N 0 3 354.451 -0.757 20 0 FBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCN1C ZINC001167127717 835984929 /nfs/dbraw/zinc/98/49/29/835984929.db2.gz XYPKCJBPNRKQQD-DMDPSCGWSA-N 0 3 361.489 -0.014 20 0 FBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCN1C ZINC001167127718 835985236 /nfs/dbraw/zinc/98/52/36/835985236.db2.gz XYPKCJBPNRKQQD-LOWVWBTDSA-N 0 3 361.489 -0.014 20 0 FBADHN C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCN1C ZINC001167127719 835984733 /nfs/dbraw/zinc/98/47/33/835984733.db2.gz XYPKCJBPNRKQQD-NQBHXWOUSA-N 0 3 361.489 -0.014 20 0 FBADHN C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCN1C ZINC001167127720 835985260 /nfs/dbraw/zinc/98/52/60/835985260.db2.gz XYPKCJBPNRKQQD-WZRBSPASSA-N 0 3 361.489 -0.014 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cc3c(nn1)CCNC3)C2 ZINC001167198719 835987836 /nfs/dbraw/zinc/98/78/36/835987836.db2.gz YRTWSGCTLZUFMN-LLVKDONJSA-N 0 3 352.416 -0.711 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1cc3c(nn1)CCNC3)C2 ZINC001167198722 835987614 /nfs/dbraw/zinc/98/76/14/835987614.db2.gz YRTWSGCTLZUFMN-NSHDSACASA-N 0 3 352.416 -0.711 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1ncc3c(n1)CCNC3)C2 ZINC001167199332 835988619 /nfs/dbraw/zinc/98/86/19/835988619.db2.gz KFRJURWRAUFRIX-LLVKDONJSA-N 0 3 352.416 -0.711 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1ncc3c(n1)CCNC3)C2 ZINC001167199333 835989040 /nfs/dbraw/zinc/98/90/40/835989040.db2.gz KFRJURWRAUFRIX-NSHDSACASA-N 0 3 352.416 -0.711 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1ccc3c(n1)CCNC3)C2 ZINC001167200139 835988715 /nfs/dbraw/zinc/98/87/15/835988715.db2.gz VNEDVUVOXVYYPN-GFCCVEGCSA-N 0 3 351.428 -0.106 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1ccc3c(n1)CCNC3)C2 ZINC001167200140 835988527 /nfs/dbraw/zinc/98/85/27/835988527.db2.gz VNEDVUVOXVYYPN-LBPRGKRZSA-N 0 3 351.428 -0.106 20 0 FBADHN Cn1nncc1CNCC1(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001167207447 835989174 /nfs/dbraw/zinc/98/91/74/835989174.db2.gz RRUPPPKXCVMOIT-QWHCGFSZSA-N 0 3 350.423 -0.776 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC1(CNCC(=O)Nc2nncs2)CC1 ZINC001167244910 835990786 /nfs/dbraw/zinc/99/07/86/835990786.db2.gz INVGQSLETGVJIY-ZJUUUORDSA-N 0 3 366.447 -0.526 20 0 FBADHN CC[C@@H]1C[C@H]1C(=O)NCCC1(CNCC(=O)N2CCNC(=O)C2)CC1 ZINC001167282796 835993021 /nfs/dbraw/zinc/99/30/21/835993021.db2.gz JJGXYWKEHXGYDJ-ZIAGYGMSSA-N 0 3 350.463 -0.133 20 0 FBADHN O=C(CNCCCNC(=O)[C@@H]1C[C@H]1C1CC1)NCC(=O)N1CCCC1 ZINC001168013829 836258639 /nfs/dbraw/zinc/25/86/39/836258639.db2.gz SDVVMCOAAXMVFV-LSDHHAIUSA-N 0 3 350.463 -0.133 20 0 FBADHN CN1CCC(NC(=O)c2ccc(NC3CN(S(C)(=O)=O)C3)nn2)CC1 ZINC001168219938 836443176 /nfs/dbraw/zinc/44/31/76/836443176.db2.gz AXVFOLNNSRJXFS-UHFFFAOYSA-N 0 3 368.463 -0.644 20 0 FBADHN CS(=O)(=O)N1CCN(c2cccc(NC[C@H]3COCCO3)n2)CC1 ZINC001168265399 836458246 /nfs/dbraw/zinc/45/82/46/836458246.db2.gz LQTMETOZDISCMF-ZDUSSCGKSA-N 0 3 356.448 -0.010 20 0 FBADHN CN(CCO)CCN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001168341796 836513969 /nfs/dbraw/zinc/51/39/69/836513969.db2.gz TYSINUYASTYAQK-CVEARBPZSA-N 0 3 350.419 -0.638 20 0 FBADHN COC(=O)CNS(=O)(=O)c1ccc(NC(=N)N2CCN(C)CC2)nc1 ZINC001168735971 837663930 /nfs/dbraw/zinc/66/39/30/837663930.db2.gz JFXJTVBHEQUOGW-UHFFFAOYSA-N 0 3 370.435 -0.873 20 0 FBADHN NCc1ncn(-c2ccc(F)c(S(=O)(=O)NCc3c[nH]nn3)c2)n1 ZINC001168756975 837747409 /nfs/dbraw/zinc/74/74/09/837747409.db2.gz VIZIHZJBRXTUBW-UHFFFAOYSA-N 0 3 352.355 -0.538 20 0 FBADHN NCc1nc(=O)[n-]n1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001168762762 837800965 /nfs/dbraw/zinc/80/09/65/837800965.db2.gz 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COC(=O)[C@@H]1C[C@@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C(=O)OC ZINC001173562222 840270874 /nfs/dbraw/zinc/27/08/74/840270874.db2.gz BCHVOQIOPDGSHR-LPWJVIDDSA-N 0 3 362.448 -0.259 20 0 FBADHN COC(=O)[C@@H]1C[C@H](N[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C(=O)OC ZINC001173562224 840270995 /nfs/dbraw/zinc/27/09/95/840270995.db2.gz BCHVOQIOPDGSHR-RVMXOQNASA-N 0 3 362.448 -0.259 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C(=O)OC ZINC001173562227 840271657 /nfs/dbraw/zinc/27/16/57/840271657.db2.gz BCHVOQIOPDGSHR-ZDEQEGDKSA-N 0 3 362.448 -0.259 20 0 FBADHN COC(=O)[C@@H]1C[C@H](N[C@@H]2C[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)C[C@@H]1C(=O)OC ZINC001173565373 840271221 /nfs/dbraw/zinc/27/12/21/840271221.db2.gz RNESRNODVIQYLF-BFJAEPJVSA-N 0 3 357.403 -0.030 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](N[C@@H]2C[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)C[C@@H]1C(=O)OC ZINC001173565374 840270958 /nfs/dbraw/zinc/27/09/58/840270958.db2.gz RNESRNODVIQYLF-ZSKRZSBTSA-N 0 3 357.403 -0.030 20 0 FBADHN COC(=O)CC(CC(=O)OC)N[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173578249 840272470 /nfs/dbraw/zinc/27/24/70/840272470.db2.gz PRWVSQPDYLOLJP-WLLOZRIZSA-N 0 3 359.375 -0.188 20 0 FBADHN COC(=O)CC(CC(=O)OC)N[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173578250 840272812 /nfs/dbraw/zinc/27/28/12/840272812.db2.gz PRWVSQPDYLOLJP-YHPBZONMSA-N 0 3 359.375 -0.188 20 0 FBADHN COC(=O)[C@@H]1C[C@H](N2CCC3(CC2)NC(=O)NC3=O)C[C@@H]1C(=O)OC ZINC001173585308 840274117 /nfs/dbraw/zinc/27/41/17/840274117.db2.gz NQWRNXIVWOFYHZ-JGPRNRPPSA-N 0 3 353.375 -0.599 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](N2CCC3(CC2)NC(=O)NC3=O)C[C@@H]1C(=O)OC ZINC001173585310 840274586 /nfs/dbraw/zinc/27/45/86/840274586.db2.gz NQWRNXIVWOFYHZ-RTCCRHLQSA-N 0 3 353.375 -0.599 20 0 FBADHN COC(=O)[C@@H]1C[C@H](N2CCC3(CC2)CNC(=O)CO3)C[C@@H]1C(=O)OC ZINC001173586889 840273844 /nfs/dbraw/zinc/27/38/44/840273844.db2.gz VYKSQDRSYRYXID-CLLJXQQHSA-N 0 3 354.403 -0.292 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](N2CCC3(CC2)CNC(=O)CO3)C[C@@H]1C(=O)OC ZINC001173586891 840274289 /nfs/dbraw/zinc/27/42/89/840274289.db2.gz VYKSQDRSYRYXID-XYYAHUGASA-N 0 3 354.403 -0.292 20 0 FBADHN COC(=O)[C@]1(N2CCN(C[C@@H](C)CN3CCOCC3)CC2)CCOC1 ZINC001174723837 840278216 /nfs/dbraw/zinc/27/82/16/840278216.db2.gz FYKOMCXFKOOHGX-AEFFLSMTSA-N 0 3 355.479 -0.096 20 0 FBADHN COC(=O)[C@@]1(N2CCN(C[C@H](C)CN3CCOCC3)CC2)CCOC1 ZINC001174723840 840277985 /nfs/dbraw/zinc/27/79/85/840277985.db2.gz FYKOMCXFKOOHGX-FUHWJXTLSA-N 0 3 355.479 -0.096 20 0 FBADHN COC(=O)[C@@]1(N2CCN(C[C@@H](C)CN3CCOCC3)CC2)CCOC1 ZINC001174723842 840277784 /nfs/dbraw/zinc/27/77/84/840277784.db2.gz FYKOMCXFKOOHGX-SJLPKXTDSA-N 0 3 355.479 -0.096 20 0 FBADHN COC(=O)[C@]1(N2CCN(C[C@H](C)CN3CCOCC3)CC2)CCOC1 ZINC001174723843 840278039 /nfs/dbraw/zinc/27/80/39/840278039.db2.gz FYKOMCXFKOOHGX-WMZOPIPTSA-N 0 3 355.479 -0.096 20 0 FBADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001174908278 840278795 /nfs/dbraw/zinc/27/87/95/840278795.db2.gz YCSXZSDMFYESKV-OLZOCXBDSA-N 0 3 361.464 -0.542 20 0 FBADHN NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)ccn1 ZINC001175179633 840282921 /nfs/dbraw/zinc/28/29/21/840282921.db2.gz LFVYIKBZYTYGFU-KBPBESRZSA-N 0 3 368.459 -0.163 20 0 FBADHN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)ccn1 ZINC001175179634 840283054 /nfs/dbraw/zinc/28/30/54/840283054.db2.gz LFVYIKBZYTYGFU-KGLIPLIRSA-N 0 3 368.459 -0.163 20 0 FBADHN NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)ccn1 ZINC001175179635 840282837 /nfs/dbraw/zinc/28/28/37/840282837.db2.gz LFVYIKBZYTYGFU-UONOGXRCSA-N 0 3 368.459 -0.163 20 0 FBADHN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)ccn1 ZINC001175179636 840282816 /nfs/dbraw/zinc/28/28/16/840282816.db2.gz LFVYIKBZYTYGFU-ZIAGYGMSSA-N 0 3 368.459 -0.163 20 0 FBADHN Cc1nnc(CNCCCC[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001175244366 840282865 /nfs/dbraw/zinc/28/28/65/840282865.db2.gz CJBXGHPLWIBVMY-KGYLQXTDSA-N 0 3 352.439 -0.089 20 0 FBADHN Cc1nnc(CNCCCC[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001175244367 840282398 /nfs/dbraw/zinc/28/23/98/840282398.db2.gz CJBXGHPLWIBVMY-WCFLWFBJSA-N 0 3 352.439 -0.089 20 0 FBADHN C[C@@H](CCCCNCc1cn(C)nn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001175245002 840282727 /nfs/dbraw/zinc/28/27/27/840282727.db2.gz JEHZUVGJCYHNKM-FPMFFAJLSA-N 0 3 352.439 -0.387 20 0 FBADHN C[C@H](CCCCNCc1cn(C)nn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001175245004 840282217 /nfs/dbraw/zinc/28/22/17/840282217.db2.gz JEHZUVGJCYHNKM-KWCYVHTRSA-N 0 3 352.439 -0.387 20 0 FBADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001175248639 840283784 /nfs/dbraw/zinc/28/37/84/840283784.db2.gz DRYJLBOCODOLCO-BLBGDKDGSA-N 0 3 364.324 -0.252 20 0 FBADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001175248641 840283552 /nfs/dbraw/zinc/28/35/52/840283552.db2.gz DRYJLBOCODOLCO-KEMBBXRSSA-N 0 3 364.324 -0.252 20 0 FBADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001175248644 840284287 /nfs/dbraw/zinc/28/42/87/840284287.db2.gz DRYJLBOCODOLCO-RDZIJCNDSA-N 0 3 364.324 -0.252 20 0 FBADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001175248646 840284022 /nfs/dbraw/zinc/28/40/22/840284022.db2.gz DRYJLBOCODOLCO-WCDAPOTHSA-N 0 3 364.324 -0.252 20 0 FBADHN C[C@@H](CCCCNCC(=O)Nc1nncs1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001175287814 840283955 /nfs/dbraw/zinc/28/39/55/840283955.db2.gz GVLOZYQQXBHTNK-AXFHLTTASA-N 0 3 368.463 -0.137 20 0 FBADHN C[C@H](CCCCNCC(=O)Nc1nncs1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001175287817 840284277 /nfs/dbraw/zinc/28/42/77/840284277.db2.gz GVLOZYQQXBHTNK-MXWKQRLJSA-N 0 3 368.463 -0.137 20 0 FBADHN CN(CCNC(=O)c1cnc2c(c1)NC(=O)CN2C)CCOCCO ZINC001175821357 840290374 /nfs/dbraw/zinc/29/03/74/840290374.db2.gz AGGCNHPQBQGLPJ-UHFFFAOYSA-N 0 3 351.407 -0.860 20 0 FBADHN CN(CCNC(=O)c1ccc(S(N)(=O)=O)s1)CCOCCO ZINC001175822224 840290210 /nfs/dbraw/zinc/29/02/10/840290210.db2.gz KAMHDNFATCTFGU-UHFFFAOYSA-N 0 3 351.450 -0.934 20 0 FBADHN CN(CCNC(=O)c1cc(S(N)(=O)=O)ccc1F)CCOCCO ZINC001175822243 840290066 /nfs/dbraw/zinc/29/00/66/840290066.db2.gz KQSIHAKOBOCSEP-UHFFFAOYSA-N 0 3 363.411 -0.856 20 0 FBADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCN(C)CCOCCO ZINC001175822415 840289784 /nfs/dbraw/zinc/28/97/84/840289784.db2.gz MFMNAGWPURTLNK-UHFFFAOYSA-N 0 3 363.436 -0.786 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCC2(S(N)(=O)=O)CC2)cn1 ZINC001175827911 840290272 /nfs/dbraw/zinc/29/02/72/840290272.db2.gz DQBYFUSZXAHKGT-CHWSQXEVSA-N 0 3 355.464 -0.607 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC2(S(N)(=O)=O)CC2)cn1 ZINC001175827912 840290300 /nfs/dbraw/zinc/29/03/00/840290300.db2.gz DQBYFUSZXAHKGT-OLZOCXBDSA-N 0 3 355.464 -0.607 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC2(S(N)(=O)=O)CC2)cn1 ZINC001175827913 840289621 /nfs/dbraw/zinc/28/96/21/840289621.db2.gz DQBYFUSZXAHKGT-QWHCGFSZSA-N 0 3 355.464 -0.607 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC2(S(N)(=O)=O)CC2)cn1 ZINC001175827914 840289964 /nfs/dbraw/zinc/28/99/64/840289964.db2.gz DQBYFUSZXAHKGT-STQMWFEESA-N 0 3 355.464 -0.607 20 0 FBADHN CS(=O)(=O)NCCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001176083323 840292552 /nfs/dbraw/zinc/29/25/52/840292552.db2.gz HNKVEOKIBNKQMX-UHFFFAOYSA-N 0 3 360.480 -0.742 20 0 FBADHN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001176354604 840295168 /nfs/dbraw/zinc/29/51/68/840295168.db2.gz NDBTVLCLXDDBLF-OAHLLOKOSA-N 0 3 351.451 -0.238 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CN2CCC1CC2 ZINC001176466242 840296799 /nfs/dbraw/zinc/29/67/99/840296799.db2.gz JHSUHLFVWOCPJD-CYBMUJFWSA-N 0 3 360.480 -0.969 20 0 FBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CN2CCC1CC2 ZINC001176466244 840296836 /nfs/dbraw/zinc/29/68/36/840296836.db2.gz JHSUHLFVWOCPJD-ZDUSSCGKSA-N 0 3 360.480 -0.969 20 0 FBADHN CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)co1 ZINC001176532610 840297215 /nfs/dbraw/zinc/29/72/15/840297215.db2.gz BHDVJJFZUMJHGY-QWHCGFSZSA-N 0 3 357.432 -0.189 20 0 FBADHN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176533129 840297295 /nfs/dbraw/zinc/29/72/95/840297295.db2.gz FILPXBBMEQOBFX-YWPYICTPSA-N 0 3 366.443 -0.616 20 0 FBADHN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176533131 840296678 /nfs/dbraw/zinc/29/66/78/840296678.db2.gz FILPXBBMEQOBFX-ZOWXZIJZSA-N 0 3 366.443 -0.616 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c(C)o1 ZINC001176533283 840297108 /nfs/dbraw/zinc/29/71/08/840297108.db2.gz ILNVFWNBXCPPIB-NWDGAFQWSA-N 0 3 357.432 -0.223 20 0 FBADHN CCCc1nnc(SCC(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)n1N ZINC001176543304 840297063 /nfs/dbraw/zinc/29/70/63/840297063.db2.gz ZLCADNZWZCIEDJ-NWDGAFQWSA-N 0 3 354.480 -0.296 20 0 FBADHN CS(=O)(=O)N1CCC(NC(=O)CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 ZINC001176554785 840297010 /nfs/dbraw/zinc/29/70/10/840297010.db2.gz GTFIARPIZBHZOK-LRDDRELGSA-N 0 3 372.491 -0.886 20 0 FBADHN Cc1nn(C)c(N2CCOCC2)c1CNCC1(C(N)=O)CCOCC1 ZINC001177231386 840311324 /nfs/dbraw/zinc/31/13/24/840311324.db2.gz ODGQVWKPBGWSLC-UHFFFAOYSA-N 0 3 351.451 -0.063 20 0 FBADHN CC(C)NS(=O)(=O)CCNCc1cnc(N2CCN(C)CC2)nc1 ZINC001177749422 840322961 /nfs/dbraw/zinc/32/29/61/840322961.db2.gz UEXCEPRBVVTLLF-UHFFFAOYSA-N 0 3 356.496 -0.354 20 0 FBADHN C[C@H]1[C@H](NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCN1C ZINC001178224934 840331404 /nfs/dbraw/zinc/33/14/04/840331404.db2.gz LKXAODGEEGVDRH-GXSJLCMTSA-N 0 3 368.415 -0.549 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCN1C ZINC001178224937 840331353 /nfs/dbraw/zinc/33/13/53/840331353.db2.gz LKXAODGEEGVDRH-KOLCDFICSA-N 0 3 368.415 -0.549 20 0 FBADHN C[C@@H]1[C@H](NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCN1C ZINC001178224939 840331191 /nfs/dbraw/zinc/33/11/91/840331191.db2.gz LKXAODGEEGVDRH-MWLCHTKSSA-N 0 3 368.415 -0.549 20 0 FBADHN C[C@H]1[C@@H](NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCN1C ZINC001178224941 840331133 /nfs/dbraw/zinc/33/11/33/840331133.db2.gz LKXAODGEEGVDRH-ONGXEEELSA-N 0 3 368.415 -0.549 20 0 FBADHN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C(C)(C)C1 ZINC001178709839 840341541 /nfs/dbraw/zinc/34/15/41/840341541.db2.gz SNYOUTKUTKGOFY-CABCVRRESA-N 0 3 352.479 -0.377 20 0 FBADHN CN1C[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C(C)(C)C1 ZINC001178709840 840340925 /nfs/dbraw/zinc/34/09/25/840340925.db2.gz SNYOUTKUTKGOFY-GJZGRUSLSA-N 0 3 352.479 -0.377 20 0 FBADHN CN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C(C)(C)C1 ZINC001178709841 840341296 /nfs/dbraw/zinc/34/12/96/840341296.db2.gz SNYOUTKUTKGOFY-HUUCEWRRSA-N 0 3 352.479 -0.377 20 0 FBADHN CN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C(C)(C)C1 ZINC001178709842 840340999 /nfs/dbraw/zinc/34/09/99/840340999.db2.gz SNYOUTKUTKGOFY-LSDHHAIUSA-N 0 3 352.479 -0.377 20 0 FBADHN NS(=O)(=O)c1ccc(CNCC2(O)CCS(=O)(=O)CC2)c(F)c1 ZINC001178710140 840341836 /nfs/dbraw/zinc/34/18/36/840341836.db2.gz UZZFZRORMCEJSO-UHFFFAOYSA-N 0 3 366.436 -0.498 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NC2CCOCC2)CCN1C(=O)[C@]12C[C@H]1COC2 ZINC001178730795 840340842 /nfs/dbraw/zinc/34/08/42/840340842.db2.gz DLFZAYCHNVMKOC-ATZCPQFDSA-N 0 3 351.447 -0.103 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)[C@H]1C ZINC001178736052 840341402 /nfs/dbraw/zinc/34/14/02/840341402.db2.gz LXIAXXJKAIFLRK-MRHIQRDNSA-N 0 3 352.435 -0.162 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NC(=O)NC2CC2)CCN1C(=O)[C@]12C[C@H]1COC2 ZINC001178740621 840342611 /nfs/dbraw/zinc/34/26/11/840342611.db2.gz OJTIBDGGMRKBCT-BTIUKSQHSA-N 0 3 350.419 -0.410 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCCCCCNCc2nnnn2C)O1 ZINC001178811380 840344295 /nfs/dbraw/zinc/34/42/95/840344295.db2.gz TVIWPHBIHOEEBI-ZIAGYGMSSA-N 0 3 353.471 -0.305 20 0 FBADHN CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@H]1C ZINC001178921214 840347070 /nfs/dbraw/zinc/34/70/70/840347070.db2.gz CKWHFOONWNGGHK-YXWQFLTLSA-N 0 3 357.451 -0.478 20 0 FBADHN CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@H]1C ZINC001178925406 840346103 /nfs/dbraw/zinc/34/61/03/840346103.db2.gz HAJTZLLRLMVFGB-MNXVOIDGSA-N 0 3 356.423 -0.785 20 0 FBADHN COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@H]1C ZINC001178925429 840346134 /nfs/dbraw/zinc/34/61/34/840346134.db2.gz HLZYZPGYXOVXJX-YXWQFLTLSA-N 0 3 357.451 -0.478 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)CN1CCN(C)CC1)CC2 ZINC001178948202 840347553 /nfs/dbraw/zinc/34/75/53/840347553.db2.gz IJWMWNUZKCGOAW-UHFFFAOYSA-N 0 3 351.495 -0.563 20 0 FBADHN CN(CCNC(=O)CN1CCN(C)CC1)CCNC(=O)OC(C)(C)C ZINC001178953986 840346706 /nfs/dbraw/zinc/34/67/06/840346706.db2.gz UGTOHNYHIPPIJD-UHFFFAOYSA-N 0 3 357.499 -0.194 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001178982011 840348583 /nfs/dbraw/zinc/34/85/83/840348583.db2.gz JBXTZZAERLYCSF-BFJAYTPKSA-N 0 3 352.479 -0.189 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001178982696 840349840 /nfs/dbraw/zinc/34/98/40/840349840.db2.gz QTZWZTATROFFAQ-BFJAYTPKSA-N 0 3 352.479 -0.095 20 0 FBADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C ZINC001178989963 840349096 /nfs/dbraw/zinc/34/90/96/840349096.db2.gz CAZCDPAHEPVSKY-XPXLGCRWSA-N 0 3 353.341 -0.342 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001178990073 840349070 /nfs/dbraw/zinc/34/90/70/840349070.db2.gz GLYNPMCPPALOIP-DJIHRAIXSA-N 0 3 367.368 0.000 20 0 FBADHN O=C(CSc1nnnn1CC(F)(F)F)N1CC(N[C@@H]2CCOC2)C1 ZINC001179007890 840350703 /nfs/dbraw/zinc/35/07/03/840350703.db2.gz FAJPWYHMCCJPLH-MRVPVSSYSA-N 0 3 366.369 -0.083 20 0 FBADHN O=C(CSc1nnnn1CC(F)(F)F)N1CC(N[C@H]2CCOC2)C1 ZINC001179007892 840350990 /nfs/dbraw/zinc/35/09/90/840350990.db2.gz FAJPWYHMCCJPLH-QMMMGPOBSA-N 0 3 366.369 -0.083 20 0 FBADHN NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001179008196 840350756 /nfs/dbraw/zinc/35/07/56/840350756.db2.gz IVSYBSQOYHGYOW-GFCCVEGCSA-N 0 3 367.427 -0.852 20 0 FBADHN NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001179008197 840350894 /nfs/dbraw/zinc/35/08/94/840350894.db2.gz IVSYBSQOYHGYOW-LBPRGKRZSA-N 0 3 367.427 -0.852 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001179008403 840350230 /nfs/dbraw/zinc/35/02/30/840350230.db2.gz KCTBZPODZJNUGS-CYBMUJFWSA-N 0 3 353.444 -0.137 20 0 FBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001179008404 840350166 /nfs/dbraw/zinc/35/01/66/840350166.db2.gz KCTBZPODZJNUGS-ZDUSSCGKSA-N 0 3 353.444 -0.137 20 0 FBADHN NS(=O)(=O)c1ccc(CCC(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001179008653 840350498 /nfs/dbraw/zinc/35/04/98/840350498.db2.gz PFTJMHPGFDSPCP-CYBMUJFWSA-N 0 3 353.444 -0.144 20 0 FBADHN NS(=O)(=O)c1ccc(CCC(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001179008654 840350680 /nfs/dbraw/zinc/35/06/80/840350680.db2.gz PFTJMHPGFDSPCP-ZDUSSCGKSA-N 0 3 353.444 -0.144 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)ccc1F ZINC001179009090 840351056 /nfs/dbraw/zinc/35/10/56/840351056.db2.gz YGEBWSSWWXXMEE-LLVKDONJSA-N 0 3 357.407 -0.063 20 0 FBADHN CNS(=O)(=O)c1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)ccc1F ZINC001179009091 840350828 /nfs/dbraw/zinc/35/08/28/840350828.db2.gz YGEBWSSWWXXMEE-NSHDSACASA-N 0 3 357.407 -0.063 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001179122106 840352945 /nfs/dbraw/zinc/35/29/45/840352945.db2.gz UQIPFCJCAZQQMB-DEQVHRJGSA-N 0 3 352.435 -0.177 20 0 FBADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]1C ZINC001179179043 840353002 /nfs/dbraw/zinc/35/30/02/840353002.db2.gz GNXXLDSOZHLHGV-CRMAGSECSA-N 0 3 350.419 -0.556 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179179082 840353198 /nfs/dbraw/zinc/35/31/98/840353198.db2.gz ICEKWYPLVYSTFN-CRWXNKLISA-N 0 3 354.451 -0.533 20 0 FBADHN CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179179256 840352738 /nfs/dbraw/zinc/35/27/38/840352738.db2.gz OADCGSFQPCVBQB-CRWXNKLISA-N 0 3 354.451 -0.485 20 0 FBADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)[C@H]1C ZINC001179184002 840353063 /nfs/dbraw/zinc/35/30/63/840353063.db2.gz JFPJACTVRFRUGY-QJZXMWHDSA-N 0 3 352.435 -0.164 20 0 FBADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H]1C ZINC001179191300 840355354 /nfs/dbraw/zinc/35/53/54/840355354.db2.gz PRRNWHQKZQZOPA-MJDBTJCESA-N 0 3 352.435 -0.164 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001179202252 840352541 /nfs/dbraw/zinc/35/25/41/840352541.db2.gz DDYPNIDZLLPUDN-XWRNYUAZSA-N 0 3 351.447 -0.105 20 0 FBADHN C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001179203025 840353430 /nfs/dbraw/zinc/35/34/30/840353430.db2.gz VQEPNWAZRAIOOG-YYFQZIEXSA-N 0 3 360.476 -0.339 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179529664 840359582 /nfs/dbraw/zinc/35/95/82/840359582.db2.gz ADMFHEWAEHIPIO-ZDEQEGDKSA-N 0 3 354.451 -0.487 20 0 FBADHN CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179529687 840359678 /nfs/dbraw/zinc/35/96/78/840359678.db2.gz BGXLDBDYDJMXCH-XDQVBPFNSA-N 0 3 354.451 -0.630 20 0 FBADHN CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179529864 840359471 /nfs/dbraw/zinc/35/94/71/840359471.db2.gz FITKTIAASONJMI-XDQVBPFNSA-N 0 3 354.451 -0.485 20 0 FBADHN CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179529902 840359975 /nfs/dbraw/zinc/35/99/75/840359975.db2.gz GFACSOIQHXDAEQ-XDQVBPFNSA-N 0 3 354.451 -0.533 20 0 FBADHN CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179529946 840359706 /nfs/dbraw/zinc/35/97/06/840359706.db2.gz IPAVRIJEPJQCPD-XDQVBPFNSA-N 0 3 354.451 -0.535 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179529964 840359640 /nfs/dbraw/zinc/35/96/40/840359640.db2.gz JRZAXLVYDCEXFB-DOERSZECSA-N 0 3 352.435 -0.781 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001179529966 840360007 /nfs/dbraw/zinc/36/00/07/840360007.db2.gz JTTOKDQQDTYVAL-XDQVBPFNSA-N 0 3 354.451 -0.711 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179530176 840359831 /nfs/dbraw/zinc/35/98/31/840359831.db2.gz SXZVOINAZGURQB-DOERSZECSA-N 0 3 352.435 -0.876 20 0 FBADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1C ZINC001179530370 840359610 /nfs/dbraw/zinc/35/96/10/840359610.db2.gz XXMWTECBKRPZAO-XDQVBPFNSA-N 0 3 354.451 -0.663 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001179539428 840360863 /nfs/dbraw/zinc/36/08/63/840360863.db2.gz XMNNHXDAKPBBAM-ATGSNQNLSA-N 0 3 350.463 -0.090 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001179539459 840360686 /nfs/dbraw/zinc/36/06/86/840360686.db2.gz YLAXPYFINRJRIR-ATGSNQNLSA-N 0 3 350.463 -0.184 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001179543713 840361857 /nfs/dbraw/zinc/36/18/57/840361857.db2.gz GKSGSVWPBJYAAU-ATGSNQNLSA-N 0 3 350.463 -0.007 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)NCC(F)(F)F)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001179544185 840361654 /nfs/dbraw/zinc/36/16/54/840361654.db2.gz ZGEJHQGLRDAZIL-JXUBOQSCSA-N 0 3 350.341 -0.635 20 0 FBADHN C[C@H]1[C@@H](NCC(=O)N(C)CC(F)(F)F)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001179546075 840361420 /nfs/dbraw/zinc/36/14/20/840361420.db2.gz BTPXOLKXBCMXAZ-VLEAKVRGSA-N 0 3 364.368 -0.293 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC(=O)NC2CC2)[C@@H]1C ZINC001179557877 840363021 /nfs/dbraw/zinc/36/30/21/840363021.db2.gz TVNMRDLFLMAZPI-MPXAEWJHSA-N 0 3 352.435 -0.021 20 0 FBADHN CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C ZINC001179569943 840360844 /nfs/dbraw/zinc/36/08/44/840360844.db2.gz ZMYWJVBIOVKFNY-ZSLBOAEBSA-N 0 3 352.435 -0.021 20 0 FBADHN Cn1cc(CNCCCCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001179572895 840360925 /nfs/dbraw/zinc/36/09/25/840360925.db2.gz HABJVOZSKRGPSV-UONOGXRCSA-N 0 3 352.439 -0.386 20 0 FBADHN Cc1nnc(CNCCCCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001179573323 840360800 /nfs/dbraw/zinc/36/08/00/840360800.db2.gz TXUQIRQFUHRFCP-QWHCGFSZSA-N 0 3 352.439 -0.088 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCCCCNCC(=O)Nc1nncs1 ZINC001179601456 840363071 /nfs/dbraw/zinc/36/30/71/840363071.db2.gz DCGVDUNRRLRKEI-MNOVXSKESA-N 0 3 368.463 -0.136 20 0 FBADHN NS(=O)(=O)c1ccc(CNCCCn2ccc(=O)[nH]c2=O)c(F)c1 ZINC001179752788 840366714 /nfs/dbraw/zinc/36/67/14/840366714.db2.gz XUOPPPNGOXLZBR-UHFFFAOYSA-N 0 3 356.379 -0.085 20 0 FBADHN C[C@]1(CCCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)NC(=O)NC1=O ZINC001180055490 840371005 /nfs/dbraw/zinc/37/10/05/840371005.db2.gz ZBJBONVKSNGWJH-GDZNZVCISA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@]1(CCCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)NC(=O)NC1=O ZINC001180055491 840371705 /nfs/dbraw/zinc/37/17/05/840371705.db2.gz ZBJBONVKSNGWJH-IIYDPXPESA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@]1(CCCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)NC(=O)NC1=O ZINC001180055492 840371435 /nfs/dbraw/zinc/37/14/35/840371435.db2.gz ZBJBONVKSNGWJH-OGHNNQOOSA-N 0 3 352.435 -0.188 20 0 FBADHN C[C@]1(CCCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)NC(=O)NC1=O ZINC001180055493 840371741 /nfs/dbraw/zinc/37/17/41/840371741.db2.gz ZBJBONVKSNGWJH-PBFPGSCMSA-N 0 3 352.435 -0.188 20 0 FBADHN CN1CCC(CO)(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001180381522 840377952 /nfs/dbraw/zinc/37/79/52/840377952.db2.gz JOUCZLDPLFHLLQ-UHFFFAOYSA-N 0 3 355.460 -0.161 20 0 FBADHN CCN(CC)CC(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1 ZINC001180387792 840379372 /nfs/dbraw/zinc/37/93/72/840379372.db2.gz JDWRHYGMLGVMNG-UHFFFAOYSA-N 0 3 352.439 -0.433 20 0 FBADHN CCN(CC)CC(=O)N1Cc2ccnn2C[C@@H](C(=O)NCCOC)C1 ZINC001180389586 840378872 /nfs/dbraw/zinc/37/88/72/840378872.db2.gz ZFUKGLDATLPUJF-AWEZNQCLSA-N 0 3 351.451 -0.054 20 0 FBADHN CCN(CC)CC(=O)N1Cc2ccnn2C[C@H](C(=O)NCCOC)C1 ZINC001180389587 840379124 /nfs/dbraw/zinc/37/91/24/840379124.db2.gz ZFUKGLDATLPUJF-CQSZACIVSA-N 0 3 351.451 -0.054 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001180390640 840378737 /nfs/dbraw/zinc/37/87/37/840378737.db2.gz APFLLTVRGMPHSN-OUCADQQQSA-N 0 3 354.407 -0.636 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1CSCC(=O)N1)CC2 ZINC001180549023 840381188 /nfs/dbraw/zinc/38/11/88/840381188.db2.gz HCWWSQPXJJNHCO-GFCCVEGCSA-N 0 3 354.476 -0.579 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CSCC(=O)N1)CC2 ZINC001180549024 840381589 /nfs/dbraw/zinc/38/15/89/840381589.db2.gz HCWWSQPXJJNHCO-LBPRGKRZSA-N 0 3 354.476 -0.579 20 0 FBADHN O=C(CNC(=O)[C@@H]1CSCC(=O)N1)N1CCN(C2CCCCC2)CC1 ZINC001180554432 840384120 /nfs/dbraw/zinc/38/41/20/840384120.db2.gz KZBVOSSPHJWNCS-AWEZNQCLSA-N 0 3 368.503 -0.189 20 0 FBADHN O=C(CNC(=O)[C@H]1CSCC(=O)N1)N1CCN(C2CCCCC2)CC1 ZINC001180554433 840384016 /nfs/dbraw/zinc/38/40/16/840384016.db2.gz KZBVOSSPHJWNCS-CQSZACIVSA-N 0 3 368.503 -0.189 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)N1CCCC1)C[C@@H]2C(=O)N(C)C ZINC001180582009 840383334 /nfs/dbraw/zinc/38/33/34/840383334.db2.gz AHVVNEPMDBCRNH-DZGCQCFKSA-N 0 3 350.463 -0.134 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)N1CCCC1)C[C@H]2C(=O)N(C)C ZINC001180582010 840384175 /nfs/dbraw/zinc/38/41/75/840384175.db2.gz AHVVNEPMDBCRNH-HIFRSBDPSA-N 0 3 350.463 -0.134 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)N1CCCC1)C[C@@H]2C(=O)N(C)C ZINC001180582011 840384063 /nfs/dbraw/zinc/38/40/63/840384063.db2.gz AHVVNEPMDBCRNH-UKRRQHHQSA-N 0 3 350.463 -0.134 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)N1CCCC1)C[C@H]2C(=O)N(C)C ZINC001180582012 840383383 /nfs/dbraw/zinc/38/33/83/840383383.db2.gz AHVVNEPMDBCRNH-ZFWWWQNUSA-N 0 3 350.463 -0.134 20 0 FBADHN CN1CCO[C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001180762416 840392184 /nfs/dbraw/zinc/39/21/84/840392184.db2.gz CGFFLWSMIZHJGB-INIZCTEOSA-N 0 3 352.479 -0.090 20 0 FBADHN CN1CCO[C@@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001180762417 840391757 /nfs/dbraw/zinc/39/17/57/840391757.db2.gz CGFFLWSMIZHJGB-MRXNPFEDSA-N 0 3 352.479 -0.090 20 0 FBADHN CC(C)(C)NS(=O)(=O)C1(CNC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001181809182 840412143 /nfs/dbraw/zinc/41/21/43/840412143.db2.gz XCGDQMRFXXDKLA-GFCCVEGCSA-N 0 3 354.494 -0.624 20 0 FBADHN CC(C)(C)NS(=O)(=O)C1(CNC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001181809183 840412085 /nfs/dbraw/zinc/41/20/85/840412085.db2.gz XCGDQMRFXXDKLA-LBPRGKRZSA-N 0 3 354.494 -0.624 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1CCN(C(C)C)C1)C2 ZINC001181979905 840416097 /nfs/dbraw/zinc/41/60/97/840416097.db2.gz ZFGVYYCITIYBFD-CHWSQXEVSA-N 0 3 358.460 -0.095 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1CCN(C(C)C)C1)C2 ZINC001181979906 840415410 /nfs/dbraw/zinc/41/54/10/840415410.db2.gz ZFGVYYCITIYBFD-OLZOCXBDSA-N 0 3 358.460 -0.095 20 0 FBADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1CCN(C(C)C)C1)C2 ZINC001181979907 840415831 /nfs/dbraw/zinc/41/58/31/840415831.db2.gz ZFGVYYCITIYBFD-QWHCGFSZSA-N 0 3 358.460 -0.095 20 0 FBADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1CCN(C(C)C)C1)C2 ZINC001181979908 840415391 /nfs/dbraw/zinc/41/53/91/840415391.db2.gz ZFGVYYCITIYBFD-STQMWFEESA-N 0 3 358.460 -0.095 20 0 FBADHN CCOC(=O)c1snc(C(N)=O)c1NC(=O)C1(O)CCN(C)CC1 ZINC001182028796 840416046 /nfs/dbraw/zinc/41/60/46/840416046.db2.gz FFZVWQFDEZHEMC-UHFFFAOYSA-N 0 3 356.404 -0.186 20 0 FBADHN CN1CCC(O)(C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CC1 ZINC001182030402 840415441 /nfs/dbraw/zinc/41/54/41/840415441.db2.gz AAWCYAKAUXUMNF-KFWWJZLASA-N 0 3 351.447 -0.272 20 0 FBADHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C3(O)CCN(C)CC3)C[C@@H]21 ZINC001182030457 840415884 /nfs/dbraw/zinc/41/58/84/840415884.db2.gz CCZMAPXYBMQRSQ-RBSFLKMASA-N 0 3 353.463 -0.215 20 0 FBADHN CCN1C[C@H]2CCN(C(=O)C3(O)CCN(C)CC3)CC[C@H]2S1(=O)=O ZINC001182031094 840415680 /nfs/dbraw/zinc/41/56/80/840415680.db2.gz LQIKIGZBGDCQSU-ZIAGYGMSSA-N 0 3 359.492 -0.284 20 0 FBADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)C3(O)CCN(C)CC3)C[C@H]2C1 ZINC001182031593 840415587 /nfs/dbraw/zinc/41/55/87/840415587.db2.gz NYEXXBCMUFNFBV-KGLIPLIRSA-N 0 3 374.507 -0.970 20 0 FBADHN CN1CCC(O)(C(=O)N2CCC(N3CCCCS3(=O)=O)CC2)CC1 ZINC001182031800 840415863 /nfs/dbraw/zinc/41/58/63/840415863.db2.gz DVVVPFMVVHNRFK-UHFFFAOYSA-N 0 3 359.492 -0.140 20 0 FBADHN CN1CCC(O)(C(=O)N(Cc2noc3c2CNCC3)S(C)(=O)=O)CC1 ZINC001182032030 840415774 /nfs/dbraw/zinc/41/57/74/840415774.db2.gz RGBRQNSYNBQFPW-UHFFFAOYSA-N 0 3 372.447 -0.935 20 0 FBADHN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C3(O)CCN(C)CC3)[C@@H]2C1 ZINC001182032620 840416027 /nfs/dbraw/zinc/41/60/27/840416027.db2.gz TXXONFUPRFCWDE-RRFJBIMHSA-N 0 3 353.463 -0.026 20 0 FBADHN CN1CCC(O)(C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)CC1 ZINC001182032906 840415491 /nfs/dbraw/zinc/41/54/91/840415491.db2.gz VYTWWSJAYUWUSU-RBSFLKMASA-N 0 3 351.447 -0.415 20 0 FBADHN CN1CCC(O)(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC001182033037 840415476 /nfs/dbraw/zinc/41/54/76/840415476.db2.gz KKTSKRKZMUZQLV-UHFFFAOYSA-N 0 3 354.451 -0.524 20 0 FBADHN CCOC(=O)c1cnc2n1CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182033758 840415665 /nfs/dbraw/zinc/41/56/65/840415665.db2.gz ONGCCNQZRZFAMI-UHFFFAOYSA-N 0 3 350.419 -0.099 20 0 FBADHN CN1CCC(O)(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001182033901 840415426 /nfs/dbraw/zinc/41/54/26/840415426.db2.gz SABGSLPENMSPOE-UHFFFAOYSA-N 0 3 357.451 -0.069 20 0 FBADHN CN1CCC(O)(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)CC1 ZINC001182034352 840415532 /nfs/dbraw/zinc/41/55/32/840415532.db2.gz RRHLVHAJRPYZLZ-CHWSQXEVSA-N 0 3 357.451 -0.070 20 0 FBADHN CN1CCC(O)(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)CC1 ZINC001182034801 840415356 /nfs/dbraw/zinc/41/53/56/840415356.db2.gz VOUIIDUCURJIFT-CYBMUJFWSA-N 0 3 368.459 -0.583 20 0 FBADHN CN1CCC(O)(C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)CC1 ZINC001182034802 840416071 /nfs/dbraw/zinc/41/60/71/840416071.db2.gz VOUIIDUCURJIFT-ZDUSSCGKSA-N 0 3 368.459 -0.583 20 0 FBADHN C[C@H](NC(=O)C1(O)CCN(C)CC1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001182037077 840415795 /nfs/dbraw/zinc/41/57/95/840415795.db2.gz TZJZXFBVGSUJTE-RYUDHWBXSA-N 0 3 357.451 -0.206 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@H](CCO)NC(C)=O)CC2 ZINC001182121509 840418483 /nfs/dbraw/zinc/41/84/83/840418483.db2.gz SFIGODANOYVAET-AWEZNQCLSA-N 0 3 354.451 -0.924 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](CCO)NC(C)=O)CC2 ZINC001182121534 840418247 /nfs/dbraw/zinc/41/82/47/840418247.db2.gz SFIGODANOYVAET-CQSZACIVSA-N 0 3 354.451 -0.924 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001182660725 840436246 /nfs/dbraw/zinc/43/62/46/840436246.db2.gz FVIUEJDLXODYOJ-MGPQQGTHSA-N 0 3 354.451 -0.756 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC3CC3)C2)C1 ZINC001182661092 840436484 /nfs/dbraw/zinc/43/64/84/840436484.db2.gz IMLNJGWLRDBFIR-BPLDGKMQSA-N 0 3 350.463 -0.040 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001182661397 840436514 /nfs/dbraw/zinc/43/65/14/840436514.db2.gz MBNNCEASIQVOSW-MGPQQGTHSA-N 0 3 354.451 -0.756 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)C1 ZINC001182661501 840436168 /nfs/dbraw/zinc/43/61/68/840436168.db2.gz NBIBHBDNKVWYEI-GMTAPVOTSA-N 0 3 364.368 -0.230 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001182661515 840435953 /nfs/dbraw/zinc/43/59/53/840435953.db2.gz NESPWHMKRWOBPK-JHJVBQTASA-N 0 3 360.480 -0.969 20 0 FBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)C(=O)C3CC3)CC2)C1=O ZINC001182667642 840436135 /nfs/dbraw/zinc/43/61/35/840436135.db2.gz UVTFGYSPXKMVGH-UHFFFAOYSA-N 0 3 350.463 -0.338 20 0 FBADHN CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001182676399 840435977 /nfs/dbraw/zinc/43/59/77/840435977.db2.gz LJHPESXOIOQWGF-QLFBSQMISA-N 0 3 352.460 -0.075 20 0 FBADHN CC(C)(C)NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001182701274 840437819 /nfs/dbraw/zinc/43/78/19/840437819.db2.gz RCJQEUWUAKXDRB-JKDFXYPNSA-N 0 3 352.435 -0.162 20 0 FBADHN CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001182708407 840437881 /nfs/dbraw/zinc/43/78/81/840437881.db2.gz BWURVWWMHGMNBG-AHIWAGSCSA-N 0 3 352.435 -0.161 20 0 FBADHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001182708675 840437858 /nfs/dbraw/zinc/43/78/58/840437858.db2.gz FRRIVWUNKUMPBI-AHIWAGSCSA-N 0 3 352.435 -0.305 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)CN(C)S(C)(=O)=O)CC2 ZINC001182877937 840441033 /nfs/dbraw/zinc/44/10/33/840441033.db2.gz AXYFFENOBWFWRH-UHFFFAOYSA-N 0 3 360.480 -0.919 20 0 FBADHN CN(CC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1)S(C)(=O)=O ZINC001182882240 840441814 /nfs/dbraw/zinc/44/18/14/840441814.db2.gz JPWPKCDITLJBDL-UHFFFAOYSA-N 0 3 374.507 -0.529 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cn1 ZINC001182986059 840445788 /nfs/dbraw/zinc/44/57/88/840445788.db2.gz HVQRLTKPEYAKEB-HZSPNIEDSA-N 0 3 355.464 -0.655 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H](S(N)(=O)=O)C2)cn1 ZINC001182986060 840445363 /nfs/dbraw/zinc/44/53/63/840445363.db2.gz HVQRLTKPEYAKEB-IHRRRGAJSA-N 0 3 355.464 -0.655 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H](S(N)(=O)=O)C2)cn1 ZINC001182986061 840445806 /nfs/dbraw/zinc/44/58/06/840445806.db2.gz HVQRLTKPEYAKEB-MELADBBJSA-N 0 3 355.464 -0.655 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cn1 ZINC001182986062 840445626 /nfs/dbraw/zinc/44/56/26/840445626.db2.gz HVQRLTKPEYAKEB-RDBSUJKOSA-N 0 3 355.464 -0.655 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)C1CN(S(C)(=O)=O)C1)CC2 ZINC001183020667 840446882 /nfs/dbraw/zinc/44/68/82/840446882.db2.gz MYFFCSWXSOSJKV-UHFFFAOYSA-N 0 3 372.491 -0.919 20 0 FBADHN CN1C[C@@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)NC1=O ZINC001183077545 840449385 /nfs/dbraw/zinc/44/93/85/840449385.db2.gz NOGHTSGXHXWFRQ-AWEZNQCLSA-N 0 3 351.451 -0.397 20 0 FBADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC001183123935 840448879 /nfs/dbraw/zinc/44/88/79/840448879.db2.gz FEBCLBKZOBNNIF-AWEZNQCLSA-N 0 3 358.464 -0.078 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC(F)(F)F)C1 ZINC001183361291 840454005 /nfs/dbraw/zinc/45/40/05/840454005.db2.gz OONLXTRKCUXYHD-UMNHJUIQSA-N 0 3 353.341 -0.341 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C(=O)N(C)C ZINC001183363350 840454501 /nfs/dbraw/zinc/45/45/01/840454501.db2.gz QEHPLBYIFLRLEK-HUUCEWRRSA-N 0 3 352.479 -0.032 20 0 FBADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C(=O)N(C)C ZINC001183363354 840454058 /nfs/dbraw/zinc/45/40/58/840454058.db2.gz QEHPLBYIFLRLEK-LSDHHAIUSA-N 0 3 352.479 -0.032 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001183367994 840454385 /nfs/dbraw/zinc/45/43/85/840454385.db2.gz AHDLTUIGNNVCLY-SCRDCRAPSA-N 0 3 356.423 -0.783 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CCOCC2)C1 ZINC001183368019 840454025 /nfs/dbraw/zinc/45/40/25/840454025.db2.gz AMRGUKCEGJVDFS-BJJXKVORSA-N 0 3 355.435 -0.724 20 0 FBADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCc2ccco2)C1 ZINC001183368532 840454746 /nfs/dbraw/zinc/45/47/46/840454746.db2.gz FYINYVLFQZGHGP-ZENOOKHLSA-N 0 3 351.403 -0.110 20 0 FBADHN CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001183391919 840454819 /nfs/dbraw/zinc/45/48/19/840454819.db2.gz SUTKWJDXDWCCEA-KYOSRNDESA-N 0 3 352.435 -0.020 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001183403825 840454583 /nfs/dbraw/zinc/45/45/83/840454583.db2.gz YEEBQSQHLKPFAQ-JHJVBQTASA-N 0 3 355.464 -0.357 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCC3)C2)O1 ZINC001183576006 840458486 /nfs/dbraw/zinc/45/84/86/840458486.db2.gz AACUPUHGYNMKEB-FVQBIDKESA-N 0 3 352.479 -0.045 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183576100 840458548 /nfs/dbraw/zinc/45/85/48/840458548.db2.gz BWWIGHAUFKZPLY-RBSFLKMASA-N 0 3 356.467 -0.951 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183576217 840457856 /nfs/dbraw/zinc/45/78/56/840457856.db2.gz GRIRHYXNAIFUCH-RBSFLKMASA-N 0 3 356.467 -0.951 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(=O)Nc3nncs3)C2)O1 ZINC001183576265 840457942 /nfs/dbraw/zinc/45/79/42/840457942.db2.gz JAQPPJSUPIRBTD-IJLUTSLNSA-N 0 3 368.463 -0.614 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)O1 ZINC001183576467 840458579 /nfs/dbraw/zinc/45/85/79/840458579.db2.gz NZYOQSSGQCSSED-FVQBIDKESA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(=O)Nc3nccs3)C2)O1 ZINC001183576772 840457974 /nfs/dbraw/zinc/45/79/74/840457974.db2.gz SLLZAKCBWUBWPF-JHJVBQTASA-N 0 3 367.475 -0.009 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC3CC3)C2)O1 ZINC001183577029 840458044 /nfs/dbraw/zinc/45/80/44/840458044.db2.gz VEVLIGKYJGWQIJ-FVQBIDKESA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)O1 ZINC001183577032 840458261 /nfs/dbraw/zinc/45/82/61/840458261.db2.gz VHARSKZMNWOFNY-IJLUTSLNSA-N 0 3 366.384 -0.426 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(=O)Nc3ccon3)C2)O1 ZINC001183591236 840460058 /nfs/dbraw/zinc/46/00/58/840460058.db2.gz IABQPXVUNQFGCJ-JHJVBQTASA-N 0 3 351.407 -0.477 20 0 FBADHN CCN(C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)C1CC1 ZINC001183591270 840459635 /nfs/dbraw/zinc/45/96/35/840459635.db2.gz ISUWEZARFRZSIB-IIAWOOMASA-N 0 3 352.479 -0.093 20 0 FBADHN COC(=O)[C@@]1(CN[C@H]2CCCS(=O)(=O)CC2)C[C@@H]1S(C)(=O)=O ZINC001183619810 840459301 /nfs/dbraw/zinc/45/93/01/840459301.db2.gz OEDOQLITHQIDCJ-GMXVVIOVSA-N 0 3 353.462 -0.480 20 0 FBADHN COC(=O)[C@@]1(CN[C@@H]2CCCS(=O)(=O)CC2)C[C@@H]1S(C)(=O)=O ZINC001183619811 840459590 /nfs/dbraw/zinc/45/95/90/840459590.db2.gz OEDOQLITHQIDCJ-NTZNESFSSA-N 0 3 353.462 -0.480 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001183628663 840461000 /nfs/dbraw/zinc/46/10/00/840461000.db2.gz DQBIKTHCPWTPRY-JLLWLGSASA-N 0 3 353.341 -0.389 20 0 FBADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1)NC1CC1 ZINC001183628674 840461184 /nfs/dbraw/zinc/46/11/84/840461184.db2.gz FDUVZNWCYROJLP-RTXFEEFZSA-N 0 3 365.352 -0.198 20 0 FBADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001183630232 840461324 /nfs/dbraw/zinc/46/13/24/840461324.db2.gz ZCBHDXRTYWTVCN-JLLWLGSASA-N 0 3 353.341 -0.341 20 0 FBADHN CS(=O)(=O)N(C(=O)Cn1cc(F)c(=O)[n-]c1=O)c1ccc(C[NH3+])cc1 ZINC001183663298 840463729 /nfs/dbraw/zinc/46/37/29/840463729.db2.gz SSSMIZLIKMXIAA-UHFFFAOYSA-N 0 3 370.362 -0.461 20 0 FBADHN CCOC(=O)CC1([NH3+])CCN(C(=O)Cn2cc(F)c(=O)[n-]c2=O)CC1 ZINC001183667113 840460741 /nfs/dbraw/zinc/46/07/41/840460741.db2.gz XZYLHIKBJPDWEJ-UHFFFAOYSA-N 0 3 356.354 -0.639 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)O)CC2 ZINC001183699508 840466500 /nfs/dbraw/zinc/46/65/00/840466500.db2.gz WEROMEVOBSHWSG-DOMZBBRYSA-N 0 3 354.451 -0.925 20 0 FBADHN COC(=O)CN1CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001183874473 840467462 /nfs/dbraw/zinc/46/74/62/840467462.db2.gz AAZHMQLCPGRYID-UHFFFAOYSA-N 0 3 355.482 -0.729 20 0 FBADHN CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C)CC1 ZINC001183879176 840467248 /nfs/dbraw/zinc/46/72/48/840467248.db2.gz LQLULFJXNHQHLQ-ZDUSSCGKSA-N 0 3 357.451 -0.204 20 0 FBADHN CCc1ncc(CN[C@@H](C)[C@H]2CN(C)CCN2C)n1S(=O)(=O)N(C)C ZINC001183929306 840469318 /nfs/dbraw/zinc/46/93/18/840469318.db2.gz LUXOOVATDOJKTE-DZGCQCFKSA-N 0 3 372.539 -0.176 20 0 FBADHN CCc1ncc(CN[C@H](C)[C@@H]2CN(C)CCN2C)n1S(=O)(=O)N(C)C ZINC001183929308 840469136 /nfs/dbraw/zinc/46/91/36/840469136.db2.gz LUXOOVATDOJKTE-HIFRSBDPSA-N 0 3 372.539 -0.176 20 0 FBADHN CCc1ncc(CN[C@H](C)[C@H]2CN(C)CCN2C)n1S(=O)(=O)N(C)C ZINC001183929310 840468725 /nfs/dbraw/zinc/46/87/25/840468725.db2.gz LUXOOVATDOJKTE-UKRRQHHQSA-N 0 3 372.539 -0.176 20 0 FBADHN CCc1ncc(CN[C@@H](C)[C@@H]2CN(C)CCN2C)n1S(=O)(=O)N(C)C ZINC001183929312 840468833 /nfs/dbraw/zinc/46/88/33/840468833.db2.gz LUXOOVATDOJKTE-ZFWWWQNUSA-N 0 3 372.539 -0.176 20 0 FBADHN COCCN(C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O)C1CCN(C)CC1 ZINC001184073480 840470374 /nfs/dbraw/zinc/47/03/74/840470374.db2.gz AINUNPVRTSMFNE-JSGCOSHPSA-N 0 3 354.451 -0.661 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001184181688 840474441 /nfs/dbraw/zinc/47/44/41/840474441.db2.gz JPEUTEVSWZPNOY-XNJGSVPQSA-N 0 3 352.435 -0.018 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001184201152 840474304 /nfs/dbraw/zinc/47/43/04/840474304.db2.gz AIPIPEBLMDDEJX-HZSPNIEDSA-N 0 3 352.435 -0.305 20 0 FBADHN CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001184201434 840474204 /nfs/dbraw/zinc/47/42/04/840474204.db2.gz KJWLGGDWAMNYHN-QLFBSQMISA-N 0 3 359.492 -0.211 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)O1 ZINC001184388386 840476731 /nfs/dbraw/zinc/47/67/31/840476731.db2.gz AOQRBXMWGIMZCB-MCIONIFRSA-N 0 3 352.435 -0.731 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001184389341 840476856 /nfs/dbraw/zinc/47/68/56/840476856.db2.gz PGBODPQITNAKHQ-MCIONIFRSA-N 0 3 354.451 -0.485 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001184389737 840476335 /nfs/dbraw/zinc/47/63/35/840476335.db2.gz SKHOITFTHOTTAC-UPJWGTAASA-N 0 3 361.464 -0.965 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001184389980 840476620 /nfs/dbraw/zinc/47/66/20/840476620.db2.gz XOIPMZCJXJNGOG-MCIONIFRSA-N 0 3 354.451 -0.484 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001184389985 840476662 /nfs/dbraw/zinc/47/66/62/840476662.db2.gz XTDJXFJCPZPDJJ-MCIONIFRSA-N 0 3 354.451 -0.532 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001184395618 840476602 /nfs/dbraw/zinc/47/66/02/840476602.db2.gz AZNUDHWLDPDRBQ-SFDCQRBFSA-N 0 3 352.435 -0.162 20 0 FBADHN CN(CCN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)S(C)(=O)=O ZINC001184396164 840476867 /nfs/dbraw/zinc/47/68/67/840476867.db2.gz HUUAVKRZYVWGSB-LJISPDSOSA-N 0 3 359.492 -0.117 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001184408622 840477434 /nfs/dbraw/zinc/47/74/34/840477434.db2.gz QIRWKARNKIYIJZ-LJISPDSOSA-N 0 3 359.492 -0.069 20 0 FBADHN CN(CC(=O)NC1(CO)CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC001184414717 840478729 /nfs/dbraw/zinc/47/87/29/840478729.db2.gz KFKXKLPFKLYLSE-UHFFFAOYSA-N 0 3 355.460 -0.120 20 0 FBADHN CN(CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)S(C)(=O)=O ZINC001184423753 840478937 /nfs/dbraw/zinc/47/89/37/840478937.db2.gz DGLSSXCHERKOHV-JEWKUQAESA-N 0 3 357.476 -0.508 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184424342 840479233 /nfs/dbraw/zinc/47/92/33/840479233.db2.gz KBNOAHFPGYTUAE-JWOJSXKRSA-N 0 3 350.419 -0.554 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184425279 840479097 /nfs/dbraw/zinc/47/90/97/840479097.db2.gz UXEALDQMUDQHEP-HLUFSKSISA-N 0 3 351.447 -0.247 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184425825 840479288 /nfs/dbraw/zinc/47/92/88/840479288.db2.gz ZAWUSORMXALAND-HLUFSKSISA-N 0 3 351.447 -0.247 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184432927 840478881 /nfs/dbraw/zinc/47/88/81/840478881.db2.gz AUUQXZOEZQZUJE-JEWKUQAESA-N 0 3 357.476 -0.460 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001184453251 840478811 /nfs/dbraw/zinc/47/88/11/840478811.db2.gz FSWRIAZBSRFHTE-KFWWJZLASA-N 0 3 359.492 -0.069 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001184453443 840479333 /nfs/dbraw/zinc/47/93/33/840479333.db2.gz KOCVKARIWPHKNY-NFAWXSAZSA-N 0 3 352.435 -0.162 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001184453741 840478768 /nfs/dbraw/zinc/47/87/68/840478768.db2.gz PKAKFCWXORRAMY-MCIONIFRSA-N 0 3 352.435 -0.020 20 0 FBADHN CN(CCN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1)S(C)(=O)=O ZINC001184463036 840478750 /nfs/dbraw/zinc/47/87/50/840478750.db2.gz ZZJGGTKSWWTFRH-KFWWJZLASA-N 0 3 359.492 -0.117 20 0 FBADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NCC1CC1 ZINC001184483155 840480462 /nfs/dbraw/zinc/48/04/62/840480462.db2.gz AMIYWXRLNZTZSI-QSJFSLAZSA-N 0 3 351.447 -0.245 20 0 FBADHN CN(CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1)S(C)(=O)=O ZINC001184483410 840480627 /nfs/dbraw/zinc/48/06/27/840480627.db2.gz KNOAAUUMZCKMOA-MGPQQGTHSA-N 0 3 369.491 -0.395 20 0 FBADHN CN(C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)C1CC1 ZINC001184483693 840480552 /nfs/dbraw/zinc/48/05/52/840480552.db2.gz QQSLIIRJVCEJOG-UICACZKSSA-N 0 3 351.447 -0.151 20 0 FBADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001184483745 840480026 /nfs/dbraw/zinc/48/00/26/840480026.db2.gz SQIPNAHPHYHPKX-JHJVBQTASA-N 0 3 355.464 -0.737 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001184483786 840480425 /nfs/dbraw/zinc/48/04/25/840480425.db2.gz STXUKQYXNHNNNN-MGPQQGTHSA-N 0 3 369.491 -0.347 20 0 FBADHN CN(C)CCN1CCN(S(=O)(=O)c2cnc(Cl)nc2)CCC1=O ZINC001185032572 840486518 /nfs/dbraw/zinc/48/65/18/840486518.db2.gz CRRJHHOOXPEXKV-UHFFFAOYSA-N 0 3 361.855 -0.085 20 0 FBADHN CN(CCNC(=O)OC(C)(C)C)CCNC(=O)[C@@H]1CN(C)CCN1C ZINC001185266851 840490788 /nfs/dbraw/zinc/49/07/88/840490788.db2.gz HUEMIWWRRMQVIO-AWEZNQCLSA-N 0 3 357.499 -0.195 20 0 FBADHN CN(CCNC(=O)OC(C)(C)C)CCNC(=O)[C@H]1CN(C)CCN1C ZINC001185266852 840489824 /nfs/dbraw/zinc/48/98/24/840489824.db2.gz HUEMIWWRRMQVIO-CQSZACIVSA-N 0 3 357.499 -0.195 20 0 FBADHN C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185565980 840495863 /nfs/dbraw/zinc/49/58/63/840495863.db2.gz HYCIGXQQRDRJLZ-UHFFFAOYSA-N 0 3 365.463 -0.265 20 0 FBADHN C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185565980 840495858 /nfs/dbraw/zinc/49/58/58/840495858.db2.gz HYCIGXQQRDRJLZ-UHFFFAOYSA-N 0 3 365.463 -0.265 20 0 FBADHN C[N@H+]1CCCN(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185620449 840500952 /nfs/dbraw/zinc/50/09/52/840500952.db2.gz FUTOMXAKNQWYMW-UHFFFAOYSA-N 0 3 365.463 -0.218 20 0 FBADHN C[N@@H+]1CCCN(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185620449 840500941 /nfs/dbraw/zinc/50/09/41/840500941.db2.gz FUTOMXAKNQWYMW-UHFFFAOYSA-N 0 3 365.463 -0.218 20 0 FBADHN C[N@H+]1CCCN(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185620449 840500930 /nfs/dbraw/zinc/50/09/30/840500930.db2.gz FUTOMXAKNQWYMW-UHFFFAOYSA-N 0 3 365.463 -0.218 20 0 FBADHN C[N@@H+]1CCCN(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185620449 840500921 /nfs/dbraw/zinc/50/09/21/840500921.db2.gz FUTOMXAKNQWYMW-UHFFFAOYSA-N 0 3 365.463 -0.218 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)O1 ZINC001185632562 840498700 /nfs/dbraw/zinc/49/87/00/840498700.db2.gz AFJWFMXTVBRBQM-HZSPNIEDSA-N 0 3 352.435 -0.909 20 0 FBADHN CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633065 840498666 /nfs/dbraw/zinc/49/86/66/840498666.db2.gz JFNDFRZENSBKCT-HZSPNIEDSA-N 0 3 352.435 -0.922 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633072 840498956 /nfs/dbraw/zinc/49/89/56/840498956.db2.gz 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ZINC001185684039 840501698 /nfs/dbraw/zinc/50/16/98/840501698.db2.gz BZEKLADBWUPMTL-BNOWGMLFSA-N 0 3 364.471 -0.015 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)CC2CC2)C1 ZINC001185684079 840502301 /nfs/dbraw/zinc/50/23/01/840502301.db2.gz FFEIZQHKYUKBJR-KFWWJZLASA-N 0 3 350.463 -0.230 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001185684094 840502141 /nfs/dbraw/zinc/50/21/41/840502141.db2.gz FTQFKHUCBCDZLS-MCIONIFRSA-N 0 3 354.451 -0.946 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CCCC2)C1 ZINC001185684147 840502187 /nfs/dbraw/zinc/50/21/87/840502187.db2.gz GLDJPSKDKORRGF-KFWWJZLASA-N 0 3 350.463 -0.040 20 0 FBADHN CCN(C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1)C1CC1 ZINC001185684164 840502266 /nfs/dbraw/zinc/50/22/66/840502266.db2.gz GVLLVOXTZXLJGY-YUELXQCFSA-N 0 3 350.463 -0.088 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCCc2ccsc2)C1 ZINC001185684167 840502253 /nfs/dbraw/zinc/50/22/53/840502253.db2.gz HDXNDEBVOCHGPC-MCIONIFRSA-N 0 3 364.471 -0.281 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCc2cccs2)C1 ZINC001185684259 840501614 /nfs/dbraw/zinc/50/16/14/840501614.db2.gz JJCGUOZWVNVQSX-RTXFEEFZSA-N 0 3 350.444 -0.324 20 0 FBADHN CC(C)OCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684279 840501884 /nfs/dbraw/zinc/50/18/84/840501884.db2.gz KLUSXCXWYJUUJE-MCIONIFRSA-N 0 3 354.451 -0.770 20 0 FBADHN CC(C)CN(C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001185684281 840501911 /nfs/dbraw/zinc/50/19/11/840501911.db2.gz KOCLOBIAMBKATK-YUELXQCFSA-N 0 3 350.463 -0.055 20 0 FBADHN CN(CC(F)(F)F)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684286 840502156 /nfs/dbraw/zinc/50/21/56/840502156.db2.gz KQMFFNWMMUHZJU-BBBLOLIVSA-N 0 3 350.341 -0.681 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC(F)(F)F)C1 ZINC001185684439 840501578 /nfs/dbraw/zinc/50/15/78/840501578.db2.gz NELBNYKEINYNSF-MXWKQRLJSA-N 0 3 364.368 -0.420 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001185684486 840501983 /nfs/dbraw/zinc/50/19/83/840501983.db2.gz PNJUYLKNHMUJJM-KFWWJZLASA-N 0 3 350.463 -0.183 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)C1 ZINC001185684494 840502278 /nfs/dbraw/zinc/50/22/78/840502278.db2.gz PYSCDLOEHPDNHL-OUAUKWLOSA-N 0 3 364.368 -0.243 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCCc2cccs2)C1 ZINC001185684801 840502201 /nfs/dbraw/zinc/50/22/01/840502201.db2.gz RHCBEKHPGFXOCF-BNOWGMLFSA-N 0 3 364.471 -0.281 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001185684812 840502227 /nfs/dbraw/zinc/50/22/27/840502227.db2.gz RSGYMSJOEAZPBU-MCIONIFRSA-N 0 3 354.451 -0.946 20 0 FBADHN CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185684860 840501594 /nfs/dbraw/zinc/50/15/94/840501594.db2.gz SVZUSPAQPRZWBV-QLFBSQMISA-N 0 3 350.463 -0.053 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185684897 840501897 /nfs/dbraw/zinc/50/18/97/840501897.db2.gz VJJLQTMMIDSIGR-HZSPNIEDSA-N 0 3 354.451 -0.769 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001185685070 840501851 /nfs/dbraw/zinc/50/18/51/840501851.db2.gz WHBRXTFIDYVUJH-QLFBSQMISA-N 0 3 350.463 -0.005 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185685080 840501826 /nfs/dbraw/zinc/50/18/26/840501826.db2.gz WMSYOPAXHCMVRV-HZSPNIEDSA-N 0 3 354.451 -0.769 20 0 FBADHN Cc1ccsc1CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689471 840501776 /nfs/dbraw/zinc/50/17/76/840501776.db2.gz CTUAZOLXEXDUQA-UPJWGTAASA-N 0 3 364.471 -0.015 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185689517 840501810 /nfs/dbraw/zinc/50/18/10/840501810.db2.gz GNMFOGHQVHBJPC-FRRDWIJNSA-N 0 3 360.480 -0.982 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001185749100 840504792 /nfs/dbraw/zinc/50/47/92/840504792.db2.gz ABJDPUWAZUOUTP-MGPQQGTHSA-N 0 3 369.491 -0.347 20 0 FBADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001185749550 840505290 /nfs/dbraw/zinc/50/52/90/840505290.db2.gz KPPGOFGUWIUJQO-JHJVBQTASA-N 0 3 355.464 -0.737 20 0 FBADHN CN(CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1)S(C)(=O)=O ZINC001185750198 840505526 /nfs/dbraw/zinc/50/55/26/840505526.db2.gz VLIJIAYGPKKESY-MGPQQGTHSA-N 0 3 369.491 -0.395 20 0 FBADHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCCNS(=O)(=O)c2cnn(C)c2)C1 ZINC001185767705 840505496 /nfs/dbraw/zinc/50/54/96/840505496.db2.gz GJVMJOSCEJRZGL-UMVBOHGHSA-N 0 3 369.491 -0.065 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001185784534 840505659 /nfs/dbraw/zinc/50/56/59/840505659.db2.gz XHJUVPARPPRHDW-SYQHCUMBSA-N 0 3 352.435 -0.020 20 0 FBADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)NC(=O)NC1CC1 ZINC001185784547 840505049 /nfs/dbraw/zinc/50/50/49/840505049.db2.gz YEFQWCDHRKXELF-SYQHCUMBSA-N 0 3 350.419 -0.267 20 0 FBADHN Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)cn1 ZINC001185791411 840505148 /nfs/dbraw/zinc/50/51/48/840505148.db2.gz DUWIFJQPBJMBDH-HZSPNIEDSA-N 0 3 355.464 -0.737 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001185791561 840505702 /nfs/dbraw/zinc/50/57/02/840505702.db2.gz HQQKSZGDIJYQDP-QLFBSQMISA-N 0 3 369.491 -0.347 20 0 FBADHN CN(CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1)S(C)(=O)=O ZINC001185791609 840505579 /nfs/dbraw/zinc/50/55/79/840505579.db2.gz KHYWUQQWWQPSFC-QLFBSQMISA-N 0 3 369.491 -0.395 20 0 FBADHN CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001185798181 840505078 /nfs/dbraw/zinc/50/50/78/840505078.db2.gz YZQUYXIVVVWJQO-QLFBSQMISA-N 0 3 352.460 -0.075 20 0 FBADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(CCOC)C1CCN(C)CC1 ZINC001185865427 840508849 /nfs/dbraw/zinc/50/88/49/840508849.db2.gz FXGWVPPOFWETHM-ZDUSSCGKSA-N 0 3 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-0.071 20 0 FBADHN CCOCCC(=O)N1CC[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001187254444 840556651 /nfs/dbraw/zinc/55/66/51/840556651.db2.gz NVSRTUFTTMEWFE-UONOGXRCSA-N 0 3 352.435 -0.112 20 0 FBADHN CCOCCS(=O)(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001187265601 840555075 /nfs/dbraw/zinc/55/50/75/840555075.db2.gz AIEUTTZJKPPYGO-UHFFFAOYSA-N 0 3 358.464 -0.123 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C1 ZINC001187280283 840556561 /nfs/dbraw/zinc/55/65/61/840556561.db2.gz ICUVLTIEVOVXFZ-OFQRWUPVSA-N 0 3 352.435 -0.112 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C1 ZINC001187280284 840556442 /nfs/dbraw/zinc/55/64/42/840556442.db2.gz ICUVLTIEVOVXFZ-SQWLQELKSA-N 0 3 352.435 -0.112 20 0 FBADHN Cc1ncc(C(=O)N2CC[C@H]3CN(CCN(C)S(C)(=O)=O)C[C@H]32)[nH]1 ZINC001187281057 840556357 /nfs/dbraw/zinc/55/63/57/840556357.db2.gz QQABTLIENKSZQA-GXTWGEPZSA-N 0 3 355.464 -0.244 20 0 FBADHN CCNC(=O)CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001187288076 840556791 /nfs/dbraw/zinc/55/67/91/840556791.db2.gz CRMJHWFLESSIQB-UONOGXRCSA-N 0 3 351.451 -0.539 20 0 FBADHN CCNC(=O)CCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187288837 840556034 /nfs/dbraw/zinc/55/60/34/840556034.db2.gz NTAILUSBTOJHSJ-RWMBFGLXSA-N 0 3 350.419 -0.759 20 0 FBADHN CCNC(=O)CCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187288839 840556739 /nfs/dbraw/zinc/55/67/39/840556739.db2.gz NTAILUSBTOJHSJ-YNEHKIRRSA-N 0 3 350.419 -0.759 20 0 FBADHN CN(CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303944 840559556 /nfs/dbraw/zinc/55/95/56/840559556.db2.gz ANZRHLCZPSPWKN-RRFJBIMHSA-N 0 3 358.508 -0.495 20 0 FBADHN CN(CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1)S(C)(=O)=O ZINC001187303945 840559303 /nfs/dbraw/zinc/55/93/03/840559303.db2.gz ANZRHLCZPSPWKN-SOUVJXGZSA-N 0 3 358.508 -0.495 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC001187305246 840559618 /nfs/dbraw/zinc/55/96/18/840559618.db2.gz SJWQNWHEYXHEQM-RRFJBIMHSA-N 0 3 358.508 -0.447 20 0 FBADHN CCS(=O)(=O)NCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 ZINC001187305247 840558976 /nfs/dbraw/zinc/55/89/76/840558976.db2.gz SJWQNWHEYXHEQM-SOUVJXGZSA-N 0 3 358.508 -0.447 20 0 FBADHN COC[C@@H](C)C(=O)N1CC[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001187311647 840559407 /nfs/dbraw/zinc/55/94/07/840559407.db2.gz KFMIFCJWGFHXDN-HZSPNIEDSA-N 0 3 352.435 -0.257 20 0 FBADHN COC[C@H](C)C(=O)N1CC[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001187311648 840558771 /nfs/dbraw/zinc/55/87/71/840558771.db2.gz KFMIFCJWGFHXDN-MELADBBJSA-N 0 3 352.435 -0.257 20 0 FBADHN CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC001187326624 840557691 /nfs/dbraw/zinc/55/76/91/840557691.db2.gz OSQRASAMIPXWKN-ARFHVFGLSA-N 0 3 352.479 -0.234 20 0 FBADHN CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 ZINC001187326625 840557474 /nfs/dbraw/zinc/55/74/74/840557474.db2.gz OSQRASAMIPXWKN-HRCADAONSA-N 0 3 352.479 -0.234 20 0 FBADHN COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC001187326646 840558022 /nfs/dbraw/zinc/55/80/22/840558022.db2.gz PESNPYSATUDCDD-ARFHVFGLSA-N 0 3 352.479 -0.234 20 0 FBADHN COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 ZINC001187326648 840558329 /nfs/dbraw/zinc/55/83/29/840558329.db2.gz PESNPYSATUDCDD-HRCADAONSA-N 0 3 352.479 -0.234 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC001187326686 840558208 /nfs/dbraw/zinc/55/82/08/840558208.db2.gz QAXDPSVKDRHDAE-BFHYXJOUSA-N 0 3 351.451 -0.541 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 ZINC001187326688 840557830 /nfs/dbraw/zinc/55/78/30/840557830.db2.gz QAXDPSVKDRHDAE-MELADBBJSA-N 0 3 351.451 -0.541 20 0 FBADHN O=C(CN1CCC(=O)C1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001187335487 840557870 /nfs/dbraw/zinc/55/78/70/840557870.db2.gz COIYDNXMRUYYBZ-UHFFFAOYSA-N 0 3 350.463 -0.146 20 0 FBADHN COCCOCC(=O)N1CC[C@H]2CN(C[C@@H](O)COCCOC)C[C@H]21 ZINC001187386593 840565612 /nfs/dbraw/zinc/56/56/12/840565612.db2.gz DJQXLLUEZJFDQH-ARFHVFGLSA-N 0 3 360.451 -0.794 20 0 FBADHN COCCOCC(=O)N1CC[C@H]2CN(C[C@H](O)COCCOC)C[C@H]21 ZINC001187386594 840565469 /nfs/dbraw/zinc/56/54/69/840565469.db2.gz DJQXLLUEZJFDQH-HRCADAONSA-N 0 3 360.451 -0.794 20 0 FBADHN COCCOCC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001187387393 840564826 /nfs/dbraw/zinc/56/48/26/840564826.db2.gz SZSVJBGFJKFKLU-JKSUJKDBSA-N 0 3 357.451 -0.665 20 0 FBADHN NC(=O)CC(=O)N1CC[C@H]2CN(C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001187397336 840561667 /nfs/dbraw/zinc/56/16/67/840561667.db2.gz DTDJJYJLNGEJNV-GZBFAFLISA-N 0 3 351.403 -0.435 20 0 FBADHN NC(=O)CC(=O)N1CC[C@H]2CN(C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001187397337 840561210 /nfs/dbraw/zinc/56/12/10/840561210.db2.gz DTDJJYJLNGEJNV-KCQAQPDRSA-N 0 3 351.403 -0.435 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)Cc3ccon3)[C@@H]2C1 ZINC001187407324 840563209 /nfs/dbraw/zinc/56/32/09/840563209.db2.gz ABYXJYUFLONPMW-CWRNSKLLSA-N 0 3 353.419 -0.226 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H]2CCN(C(=O)Cc3ccon3)[C@@H]2C1 ZINC001187407325 840563766 /nfs/dbraw/zinc/56/37/66/840563766.db2.gz ABYXJYUFLONPMW-NUEKZKHPSA-N 0 3 353.419 -0.226 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)Cc3ccon3)[C@@H]2C1 ZINC001187408894 840563118 /nfs/dbraw/zinc/56/31/18/840563118.db2.gz VUSMKQFKQDMPBV-GOEBONIOSA-N 0 3 350.419 -0.098 20 0 FBADHN CCS(=O)(=O)NCCCN1C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H]2C1 ZINC001187417840 840563399 /nfs/dbraw/zinc/56/33/99/840563399.db2.gz AARKQDBZVWGRTQ-DZGCQCFKSA-N 0 3 369.491 -0.186 20 0 FBADHN CN(CCN1C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H]2C1)S(C)(=O)=O ZINC001187418621 840563304 /nfs/dbraw/zinc/56/33/04/840563304.db2.gz MCBOGMDEHNXHHO-GXTWGEPZSA-N 0 3 355.464 -0.624 20 0 FBADHN CCC(=O)NCC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001187418794 840563187 /nfs/dbraw/zinc/56/31/87/840563187.db2.gz PYSNSRAEHPIDSG-LSDHHAIUSA-N 0 3 354.451 -0.802 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC001187424921 840564710 /nfs/dbraw/zinc/56/47/10/840564710.db2.gz MLPGSBDFJCSUNU-DZGCQCFKSA-N 0 3 369.491 -0.234 20 0 FBADHN CN(CCN1C[C@@H]2CCN(C(=O)CCc3nc[nH]n3)[C@@H]2C1)S(C)(=O)=O ZINC001187472906 840564402 /nfs/dbraw/zinc/56/44/02/840564402.db2.gz SEGCFKGIDOMOJN-QWHCGFSZSA-N 0 3 370.479 -0.839 20 0 FBADHN C[C@H](CN1C[C@@H]2CCN(C(=O)CCc3nc[nH]n3)[C@@H]2C1)CS(C)(=O)=O ZINC001187486624 840567346 /nfs/dbraw/zinc/56/73/46/840567346.db2.gz HFXLAYOCGBFIDZ-HZSPNIEDSA-N 0 3 369.491 -0.049 20 0 FBADHN C[C@@H](CN1C[C@@H]2CCN(C(=O)CCc3nc[nH]n3)[C@@H]2C1)CS(C)(=O)=O ZINC001187486626 840568256 /nfs/dbraw/zinc/56/82/56/840568256.db2.gz HFXLAYOCGBFIDZ-MELADBBJSA-N 0 3 369.491 -0.049 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cn(C)cn3)[C@@H]2C1 ZINC001187522712 840569526 /nfs/dbraw/zinc/56/95/26/840569526.db2.gz HFIDGZVZEQXVJH-OFQRWUPVSA-N 0 3 352.435 -0.410 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cn(C)cn3)[C@@H]2C1 ZINC001187522713 840569835 /nfs/dbraw/zinc/56/98/35/840569835.db2.gz HFIDGZVZEQXVJH-SQWLQELKSA-N 0 3 352.435 -0.410 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 ZINC001187605859 840574398 /nfs/dbraw/zinc/57/43/98/840574398.db2.gz VTMSMJOTTVNJGC-CWRNSKLLSA-N 0 3 350.419 -0.353 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 ZINC001187605860 840573942 /nfs/dbraw/zinc/57/39/42/840573942.db2.gz VTMSMJOTTVNJGC-NUEKZKHPSA-N 0 3 350.419 -0.353 20 0 FBADHN CCNC(=O)CC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001187621288 840573650 /nfs/dbraw/zinc/57/36/50/840573650.db2.gz CIGKRWKKNGLCDH-LSDHHAIUSA-N 0 3 354.451 -0.802 20 0 FBADHN CNC(=O)CCCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001187630813 840573778 /nfs/dbraw/zinc/57/37/78/840573778.db2.gz GVZHDYPZDFEYLS-UONOGXRCSA-N 0 3 351.451 -0.539 20 0 FBADHN CNC(=O)CCCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187631145 840574681 /nfs/dbraw/zinc/57/46/81/840574681.db2.gz LCJGDKDSKCLGOX-RWMBFGLXSA-N 0 3 350.419 -0.759 20 0 FBADHN CNC(=O)CCCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187631146 840574250 /nfs/dbraw/zinc/57/42/50/840574250.db2.gz LCJGDKDSKCLGOX-YNEHKIRRSA-N 0 3 350.419 -0.759 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H]2CN(CCCN3CCCC3=O)C[C@H]21 ZINC001187661452 840577187 /nfs/dbraw/zinc/57/71/87/840577187.db2.gz RSEPZAKBEGWFHJ-MELADBBJSA-N 0 3 351.451 -0.412 20 0 FBADHN Cc1noc(CCCN2C[C@@H]3CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]3C2)n1 ZINC001187690912 840578464 /nfs/dbraw/zinc/57/84/64/840578464.db2.gz PKECOPKFZGCQKR-WCFLWFBJSA-N 0 3 350.423 -0.100 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001187722304 840580792 /nfs/dbraw/zinc/58/07/92/840580792.db2.gz BFVBIISKHYTSNP-DZGCQCFKSA-N 0 3 350.423 -0.886 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC001187729008 840581291 /nfs/dbraw/zinc/58/12/91/840581291.db2.gz ILCFIVFDJGQBQI-UONOGXRCSA-N 0 3 361.508 -0.038 20 0 FBADHN CN(C)CCn1c(=O)ccc2c1CCN(S(=O)(=O)c1c[nH]cn1)CC2 ZINC001187741290 840583523 /nfs/dbraw/zinc/58/35/23/840583523.db2.gz PYYMEEPABIHGGV-UHFFFAOYSA-N 0 3 365.459 -0.078 20 0 FBADHN CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001187743019 840583625 /nfs/dbraw/zinc/58/36/25/840583625.db2.gz KAUQKGZLSPKQNJ-OFQRWUPVSA-N 0 3 351.451 -0.005 20 0 FBADHN CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001187743020 840583692 /nfs/dbraw/zinc/58/36/92/840583692.db2.gz KAUQKGZLSPKQNJ-SQWLQELKSA-N 0 3 351.451 -0.005 20 0 FBADHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)c3c[nH]cn3)CC[C@@H]21 ZINC001187746903 840583890 /nfs/dbraw/zinc/58/38/90/840583890.db2.gz DOUJOWCILTZNJV-AGIUHOORSA-N 0 3 351.436 -0.215 20 0 FBADHN CN(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)c1c[nH]cn1)CCC2 ZINC001187747880 840585110 /nfs/dbraw/zinc/58/51/10/840585110.db2.gz SZZNZRNDPORNHD-UHFFFAOYSA-N 0 3 352.420 -0.377 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001187763159 840585265 /nfs/dbraw/zinc/58/52/65/840585265.db2.gz LODMRDXFSBZNJL-DZGCQCFKSA-N 0 3 350.423 -0.886 20 0 FBADHN CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001187772138 840581119 /nfs/dbraw/zinc/58/11/19/840581119.db2.gz PBPUTJQCFXOMNB-OFQRWUPVSA-N 0 3 351.451 -0.005 20 0 FBADHN CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001187772139 840581416 /nfs/dbraw/zinc/58/14/16/840581416.db2.gz PBPUTJQCFXOMNB-SQWLQELKSA-N 0 3 351.451 -0.005 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCNC(=O)NC)[C@@H]3C2)C1=O ZINC001187794107 840586206 /nfs/dbraw/zinc/58/62/06/840586206.db2.gz BELLUXXYBLQOND-BFHYXJOUSA-N 0 3 351.451 -0.541 20 0 FBADHN CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)CCNC(=O)NC)[C@@H]3C2)C1=O ZINC001187794108 840586138 /nfs/dbraw/zinc/58/61/38/840586138.db2.gz BELLUXXYBLQOND-MELADBBJSA-N 0 3 351.451 -0.541 20 0 FBADHN CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001187794120 840586584 /nfs/dbraw/zinc/58/65/84/840586584.db2.gz BTIPTDJJZUYROM-RRFJBIMHSA-N 0 3 351.451 -0.005 20 0 FBADHN CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001187794121 840586349 /nfs/dbraw/zinc/58/63/49/840586349.db2.gz 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O=C(Cn1ncnn1)N1CC[C@H]2CN(CCOC[C@H]3CCCO3)C[C@H]21 ZINC001187937078 840594117 /nfs/dbraw/zinc/59/41/17/840594117.db2.gz FFRMMNCHNPGGEZ-RRFJBIMHSA-N 0 3 350.423 -0.599 20 0 FBADHN O=C(Cn1ncnn1)N1CC[C@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001187937079 840594585 /nfs/dbraw/zinc/59/45/85/840594585.db2.gz FFRMMNCHNPGGEZ-SOUVJXGZSA-N 0 3 350.423 -0.599 20 0 FBADHN CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187939278 840594628 /nfs/dbraw/zinc/59/46/28/840594628.db2.gz ZZSMRFRAOUUQFS-RRFJBIMHSA-N 0 3 352.439 -0.761 20 0 FBADHN CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187939279 840594991 /nfs/dbraw/zinc/59/49/91/840594991.db2.gz ZZSMRFRAOUUQFS-SOUVJXGZSA-N 0 3 352.439 -0.761 20 0 FBADHN CC(C)OCCN1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001187963976 840593302 /nfs/dbraw/zinc/59/33/02/840593302.db2.gz LQSFTVQMOIWSJA-QWHCGFSZSA-N 0 3 350.423 -0.665 20 0 FBADHN O=C(CCOCC(F)F)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187964888 840593328 /nfs/dbraw/zinc/59/33/28/840593328.db2.gz WRTWVBXVZORYRY-QJPTWQEYSA-N 0 3 359.373 -0.004 20 0 FBADHN O=C(CCOCC(F)F)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187964891 840593042 /nfs/dbraw/zinc/59/30/42/840593042.db2.gz WRTWVBXVZORYRY-SDDRHHMPSA-N 0 3 359.373 -0.004 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC001187971108 840595999 /nfs/dbraw/zinc/59/59/99/840595999.db2.gz AYRIJMGCFUDEGC-CUSZFKRNSA-N 0 3 351.447 -0.292 20 0 FBADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC001187971345 840596148 /nfs/dbraw/zinc/59/61/48/840596148.db2.gz JITQAVQIECODFK-MPTYRVRUSA-N 0 3 371.503 -0.163 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001187979272 840596458 /nfs/dbraw/zinc/59/64/58/840596458.db2.gz YRVKINLKZXGBAS-RWMBFGLXSA-N 0 3 352.439 -0.418 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001187979274 840595958 /nfs/dbraw/zinc/59/59/58/840595958.db2.gz YRVKINLKZXGBAS-YNEHKIRRSA-N 0 3 352.439 -0.418 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001187984975 840596324 /nfs/dbraw/zinc/59/63/24/840596324.db2.gz XDJNCCRLNVWMPT-QLFBSQMISA-N 0 3 369.491 -0.256 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001187984976 840596246 /nfs/dbraw/zinc/59/62/46/840596246.db2.gz XDJNCCRLNVWMPT-SOUVJXGZSA-N 0 3 369.491 -0.256 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001187991353 840597088 /nfs/dbraw/zinc/59/70/88/840597088.db2.gz OCEHMSSXUMDHAQ-HZSPNIEDSA-N 0 3 370.479 -0.861 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001187991354 840597846 /nfs/dbraw/zinc/59/78/46/840597846.db2.gz OCEHMSSXUMDHAQ-MELADBBJSA-N 0 3 370.479 -0.861 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1 ZINC001187996619 840597759 /nfs/dbraw/zinc/59/77/59/840597759.db2.gz HUPHBJXBXPDADN-QLFBSQMISA-N 0 3 357.451 -0.667 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)COC)[C@@H]2C1 ZINC001187996620 840597486 /nfs/dbraw/zinc/59/74/86/840597486.db2.gz HUPHBJXBXPDADN-SOUVJXGZSA-N 0 3 357.451 -0.667 20 0 FBADHN O=C(CNC(=O)c1ccoc1)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188004495 840598992 /nfs/dbraw/zinc/59/89/92/840598992.db2.gz LSZZPRFKGCMMKK-DZGCQCFKSA-N 0 3 351.403 -0.449 20 0 FBADHN O=C(CNC(=O)C1CCCC1)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188018376 840600177 /nfs/dbraw/zinc/60/01/77/840600177.db2.gz GPRYYAOMQPDQEP-JKSUJKDBSA-N 0 3 353.463 -0.166 20 0 FBADHN CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051753 840598973 /nfs/dbraw/zinc/59/89/73/840598973.db2.gz SGGQTZKSMYJQNA-ARFHVFGLSA-N 0 3 351.451 -0.156 20 0 FBADHN CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051754 840598757 /nfs/dbraw/zinc/59/87/57/840598757.db2.gz SGGQTZKSMYJQNA-HRCADAONSA-N 0 3 351.451 -0.156 20 0 FBADHN CC(C)N1C[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC1=O ZINC001188087178 840600997 /nfs/dbraw/zinc/60/09/97/840600997.db2.gz KGMWFHMBIVONJY-ARFHVFGLSA-N 0 3 353.463 -0.215 20 0 FBADHN CC(C)N1C[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC1=O ZINC001188087179 840600843 /nfs/dbraw/zinc/60/08/43/840600843.db2.gz KGMWFHMBIVONJY-HRCADAONSA-N 0 3 353.463 -0.215 20 0 FBADHN CS(=O)(=O)NCCC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001188095132 840601437 /nfs/dbraw/zinc/60/14/37/840601437.db2.gz GHJSYQRLVATPDV-UONOGXRCSA-N 0 3 355.464 -0.645 20 0 FBADHN Cn1cc(CCN2C[C@@H]3CCN(C(=O)CCNS(C)(=O)=O)[C@@H]3C2)cn1 ZINC001188095789 840603119 /nfs/dbraw/zinc/60/31/19/840603119.db2.gz RZBXRBNWMHFYFW-LSDHHAIUSA-N 0 3 369.491 -0.565 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001188096016 840602962 /nfs/dbraw/zinc/60/29/62/840602962.db2.gz WWHUVVBRGGFZHF-UONOGXRCSA-N 0 3 363.480 -0.879 20 0 FBADHN Cn1nccc1CCN1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001188096087 840602538 /nfs/dbraw/zinc/60/25/38/840602538.db2.gz YWFRGASQHPFJRP-DZGCQCFKSA-N 0 3 369.491 -0.565 20 0 FBADHN CS(=O)(=O)NCCC(=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001188102119 840602460 /nfs/dbraw/zinc/60/24/60/840602460.db2.gz CARONTGTLWXZDL-LSDHHAIUSA-N 0 3 359.492 -0.115 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CN(CCOC3CCC3)C[C@H]21)S(C)(=O)=O ZINC001188102363 840604414 /nfs/dbraw/zinc/60/44/14/840604414.db2.gz HUHPEZGVLJCHCX-DZGCQCFKSA-N 0 3 359.492 -0.020 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CN(CCc3cnn(C)c3)C[C@H]21)S(C)(=O)=O ZINC001188102403 840604132 /nfs/dbraw/zinc/60/41/32/840604132.db2.gz IUCNFLYRPKULCI-LSDHHAIUSA-N 0 3 369.491 -0.613 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188102603 840604184 /nfs/dbraw/zinc/60/41/84/840604184.db2.gz MUBJFIFEEDMGTC-UONOGXRCSA-N 0 3 363.480 -0.927 20 0 FBADHN CC(C)C(=O)N(C)CC(=O)N1CC[C@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001188102831 840604254 /nfs/dbraw/zinc/60/42/54/840604254.db2.gz PXVQUNZNFFZTNY-RRFJBIMHSA-N 0 3 350.463 -0.136 20 0 FBADHN CC(C)C(=O)N(C)CC(=O)N1CC[C@H]2CN([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001188102832 840604212 /nfs/dbraw/zinc/60/42/12/840604212.db2.gz PXVQUNZNFFZTNY-SOUVJXGZSA-N 0 3 350.463 -0.136 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CN(CCc3ccnn3C)C[C@H]21)S(C)(=O)=O ZINC001188102876 840604342 /nfs/dbraw/zinc/60/43/42/840604342.db2.gz RZFDVXKBRGWMRG-DZGCQCFKSA-N 0 3 369.491 -0.613 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21)S(C)(=O)=O ZINC001188107092 840605782 /nfs/dbraw/zinc/60/57/82/840605782.db2.gz HGISFPBVFUZRPQ-UONOGXRCSA-N 0 3 355.464 -0.693 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21)S(C)(=O)=O ZINC001188107171 840605258 /nfs/dbraw/zinc/60/52/58/840605258.db2.gz JBXJBCZZMQTYOJ-LSDHHAIUSA-N 0 3 359.492 -0.163 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001188107461 840605829 /nfs/dbraw/zinc/60/58/29/840605829.db2.gz QAFMVCHKVRPZQB-RWMBFGLXSA-N 0 3 357.430 -0.606 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001188107462 840605575 /nfs/dbraw/zinc/60/55/75/840605575.db2.gz QAFMVCHKVRPZQB-YNEHKIRRSA-N 0 3 357.430 -0.606 20 0 FBADHN O=C(CCCNC(=O)C1CC1)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188112605 840606871 /nfs/dbraw/zinc/60/68/71/840606871.db2.gz HGQCHEFEYMTISA-JKSUJKDBSA-N 0 3 353.463 -0.166 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1 ZINC001188118532 840607173 /nfs/dbraw/zinc/60/71/73/840607173.db2.gz GMELZVDQDOKCLE-LSDHHAIUSA-N 0 3 357.451 -0.665 20 0 FBADHN CCOCCN1C[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 ZINC001188124235 840607972 /nfs/dbraw/zinc/60/79/72/840607972.db2.gz DUHNFHKJHCYLPU-UONOGXRCSA-N 0 3 350.419 -0.884 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 ZINC001188124574 840608200 /nfs/dbraw/zinc/60/82/00/840608200.db2.gz GIBYZKYIWMTDQV-LSDHHAIUSA-N 0 3 357.451 -0.713 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1CC[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001188124605 840608280 /nfs/dbraw/zinc/60/82/80/840608280.db2.gz IBKUWOBHQZEGKQ-LSDHHAIUSA-N 0 3 369.491 -0.565 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1CC[C@H]2CN(CCc3ccnn3C)C[C@H]21 ZINC001188124692 840607996 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CNC(=O)NCC(=O)N1CC[C@H]2CN(CCCc3nc(C)no3)C[C@H]21 ZINC001188151594 840610550 /nfs/dbraw/zinc/61/05/50/840610550.db2.gz IXSJHLZGAZBIEI-QWHCGFSZSA-N 0 3 350.423 -0.228 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@H]2CN(CCOC[C@H]3CCCO3)C[C@H]21 ZINC001188151978 840611256 /nfs/dbraw/zinc/61/12/56/840611256.db2.gz OGMDFDQJZOPZOF-RRFJBIMHSA-N 0 3 354.451 -0.356 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001188151979 840610743 /nfs/dbraw/zinc/61/07/43/840610743.db2.gz OGMDFDQJZOPZOF-SOUVJXGZSA-N 0 3 354.451 -0.356 20 0 FBADHN CN(CCN1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)[C@@H]2C1)S(C)(=O)=O ZINC001188158103 840612452 /nfs/dbraw/zinc/61/24/52/840612452.db2.gz BRDCJBMCNGTZQU-DZGCQCFKSA-N 0 3 369.491 -0.234 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@H]2CN([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001188158789 840612432 /nfs/dbraw/zinc/61/24/32/840612432.db2.gz PNUHMOYNTPAUAX-BFHYXJOUSA-N 0 3 351.451 -0.543 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@H]2CN([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001188158790 840612495 /nfs/dbraw/zinc/61/24/95/840612495.db2.gz PNUHMOYNTPAUAX-MELADBBJSA-N 0 3 351.451 -0.543 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cnc(C)nc3OC)[C@@H]2C1 ZINC001188173239 840611153 /nfs/dbraw/zinc/61/11/53/840611153.db2.gz GTXQIWRXARVZEH-GZBFAFLISA-N 0 3 350.419 -0.053 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cnc(C)nc3OC)[C@@H]2C1 ZINC001188173242 840611020 /nfs/dbraw/zinc/61/10/20/840611020.db2.gz GTXQIWRXARVZEH-KCQAQPDRSA-N 0 3 350.419 -0.053 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212090 840613631 /nfs/dbraw/zinc/61/36/31/840613631.db2.gz CXHXCCPUWJCLQB-DZGCQCFKSA-N 0 3 358.508 -0.447 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001188218994 840613237 /nfs/dbraw/zinc/61/32/37/840613237.db2.gz BDTIJZNXEJQZSW-LSDHHAIUSA-N 0 3 355.435 -0.959 20 0 FBADHN CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001188219241 840613392 /nfs/dbraw/zinc/61/33/92/840613392.db2.gz IWVZDPOXRZCMIU-GXTWGEPZSA-N 0 3 351.451 -0.541 20 0 FBADHN O=C(CN1CCOCC1=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001188219272 840614208 /nfs/dbraw/zinc/61/42/08/840614208.db2.gz KOWIAFXXTHUKIL-JKSUJKDBSA-N 0 3 351.447 -0.196 20 0 FBADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001188219556 840613514 /nfs/dbraw/zinc/61/35/14/840613514.db2.gz SQEVCMOVYPRQKZ-MBNYWOFBSA-N 0 3 351.451 -0.413 20 0 FBADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001188219557 840613803 /nfs/dbraw/zinc/61/38/03/840613803.db2.gz SQEVCMOVYPRQKZ-SGMGOOAPSA-N 0 3 351.451 -0.413 20 0 FBADHN CC(C)N1CCC(O)(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001188221699 840615082 /nfs/dbraw/zinc/61/50/82/840615082.db2.gz CFLOBKOAFXMNDG-UHFFFAOYSA-N 0 3 368.521 -0.282 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001188237875 840613583 /nfs/dbraw/zinc/61/35/83/840613583.db2.gz PFTWKDMQGLBEMH-DZGCQCFKSA-N 0 3 350.419 -0.410 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC001188247138 840614165 /nfs/dbraw/zinc/61/41/65/840614165.db2.gz RRUCVQYWXCQSGZ-CVEARBPZSA-N 0 3 359.540 -0.564 20 0 FBADHN C[C@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC001188247139 840613438 /nfs/dbraw/zinc/61/34/38/840613438.db2.gz RRUCVQYWXCQSGZ-HOTGVXAUSA-N 0 3 359.540 -0.564 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC001188247140 840613724 /nfs/dbraw/zinc/61/37/24/840613724.db2.gz RRUCVQYWXCQSGZ-HZPDHXFCSA-N 0 3 359.540 -0.564 20 0 FBADHN C[C@H]1CN(S(=O)(=O)N2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC001188247141 840613921 /nfs/dbraw/zinc/61/39/21/840613921.db2.gz RRUCVQYWXCQSGZ-JKSUJKDBSA-N 0 3 359.540 -0.564 20 0 FBADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001188247305 840613698 /nfs/dbraw/zinc/61/36/98/840613698.db2.gz VSXNVINVNVEMLU-MELADBBJSA-N 0 3 350.419 -0.456 20 0 FBADHN CC(C)COCCN1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001188247588 840614047 /nfs/dbraw/zinc/61/40/47/840614047.db2.gz YZJDAQMXFZXPPB-MELADBBJSA-N 0 3 352.435 -0.210 20 0 FBADHN O=C(c1cnc2n1CCOC2)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188255248 840616646 /nfs/dbraw/zinc/61/66/46/840616646.db2.gz DIBNYTDIUCGPJE-DZGCQCFKSA-N 0 3 350.419 -0.432 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)[C@@H]2C1 ZINC001188255400 840616984 /nfs/dbraw/zinc/61/69/84/840616984.db2.gz LYKRBLKVAHHZLL-GZBFAFLISA-N 0 3 350.419 -0.433 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)[C@@H]2C1 ZINC001188255401 840616515 /nfs/dbraw/zinc/61/65/15/840616515.db2.gz LYKRBLKVAHHZLL-KCQAQPDRSA-N 0 3 350.419 -0.433 20 0 FBADHN COCCn1nccc1C(=O)N1CC[C@H]2CN(C[C@H](O)COC)C[C@H]21 ZINC001188285149 840616851 /nfs/dbraw/zinc/61/68/51/840616851.db2.gz IENKKNFMZOBMBU-OFQRWUPVSA-N 0 3 352.435 -0.317 20 0 FBADHN COCCn1nccc1C(=O)N1CC[C@H]2CN(C[C@@H](O)COC)C[C@H]21 ZINC001188285150 840616399 /nfs/dbraw/zinc/61/63/99/840616399.db2.gz IENKKNFMZOBMBU-SQWLQELKSA-N 0 3 352.435 -0.317 20 0 FBADHN COCCn1nccc1C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188286389 840617703 /nfs/dbraw/zinc/61/77/03/840617703.db2.gz SMPJXERYTKVZLS-GOEBONIOSA-N 0 3 352.435 -0.315 20 0 FBADHN Cn1ccnc1COCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188292678 840615414 /nfs/dbraw/zinc/61/54/14/840615414.db2.gz DBOFDWURLSVZCD-LSDHHAIUSA-N 0 3 352.435 -0.522 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)COCc3nccn3C)[C@@H]2C1 ZINC001188292812 840615377 /nfs/dbraw/zinc/61/53/77/840615377.db2.gz FEVJVWJIAOMLAZ-RRFJBIMHSA-N 0 3 352.435 -0.523 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)COCc3nccn3C)[C@@H]2C1 ZINC001188292814 840614982 /nfs/dbraw/zinc/61/49/82/840614982.db2.gz FEVJVWJIAOMLAZ-SOUVJXGZSA-N 0 3 352.435 -0.523 20 0 FBADHN Cc1nc(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)c(=O)[nH]c1C ZINC001188314088 840618402 /nfs/dbraw/zinc/61/84/02/840618402.db2.gz GNDXXTHQWCIHBO-UONOGXRCSA-N 0 3 350.419 -0.458 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)COCc3ccnn3C)[C@@H]2C1 ZINC001188314179 840618119 /nfs/dbraw/zinc/61/81/19/840618119.db2.gz HGCFINLTYOBXEY-CWRNSKLLSA-N 0 3 352.435 -0.523 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)COCc3ccnn3C)[C@@H]2C1 ZINC001188314180 840618341 /nfs/dbraw/zinc/61/83/41/840618341.db2.gz HGCFINLTYOBXEY-NUEKZKHPSA-N 0 3 352.435 -0.523 20 0 FBADHN Cn1nccc1COCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188314212 840618134 /nfs/dbraw/zinc/61/81/34/840618134.db2.gz HQYRDGDXIWRRQY-GOEBONIOSA-N 0 3 352.435 -0.522 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]21)N(C)C ZINC001188315367 840617833 /nfs/dbraw/zinc/61/78/33/840617833.db2.gz WKUJDQOTRVTRLI-RRFJBIMHSA-N 0 3 360.524 -0.249 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001188315484 840617884 /nfs/dbraw/zinc/61/78/84/840617884.db2.gz WUTDTQJDELAZST-BFHYXJOUSA-N 0 3 353.467 -0.295 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H]2CN(CCNS(=O)(=O)CC)C[C@H]21)N(C)C ZINC001188321934 840618152 /nfs/dbraw/zinc/61/81/52/840618152.db2.gz ANJNUPVHBRKHSN-RRFJBIMHSA-N 0 3 360.524 -0.201 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322731 840618088 /nfs/dbraw/zinc/61/80/88/840618088.db2.gz LSDXHUJVXQEJJY-YYIAUSFCSA-N 0 3 355.479 -0.099 20 0 FBADHN O=C(c1cn2c(n1)COCC2)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188336166 840618367 /nfs/dbraw/zinc/61/83/67/840618367.db2.gz FLXTUESXCUOFKT-DZGCQCFKSA-N 0 3 350.419 -0.432 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)[C@@H]2C1 ZINC001188336945 840617931 /nfs/dbraw/zinc/61/79/31/840617931.db2.gz RBIAINCAORSGGK-GZBFAFLISA-N 0 3 350.419 -0.433 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)[C@@H]2C1 ZINC001188336947 840618289 /nfs/dbraw/zinc/61/82/89/840618289.db2.gz RBIAINCAORSGGK-KCQAQPDRSA-N 0 3 350.419 -0.433 20 0 FBADHN COCCN1CCO[C@@H]2CN(S(=O)(=O)CCC(=O)OC)CC[C@@H]2C1 ZINC001188364081 840621949 /nfs/dbraw/zinc/62/19/49/840621949.db2.gz VCZHLZRWFKQZIY-ZIAGYGMSSA-N 0 3 364.464 -0.452 20 0 FBADHN COCc1nn(C)cc1C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188369280 840621913 /nfs/dbraw/zinc/62/19/13/840621913.db2.gz HMTZCPKQKFAWFB-XJKSGUPXSA-N 0 3 352.435 -0.278 20 0 FBADHN COC(=O)CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001188369984 840621550 /nfs/dbraw/zinc/62/15/50/840621550.db2.gz LHSSLSVPODEKCT-RDBSUJKOSA-N 0 3 371.463 -0.434 20 0 FBADHN COCc1nn(C)cc1C(=O)N1CC[C@H]2CN(C[C@H](O)COC)C[C@H]21 ZINC001188370152 840621886 /nfs/dbraw/zinc/62/18/86/840621886.db2.gz YMMZTLCFLCGKGS-HEHGZKQESA-N 0 3 352.435 -0.280 20 0 FBADHN COCc1nn(C)cc1C(=O)N1CC[C@H]2CN(C[C@@H](O)COC)C[C@H]21 ZINC001188370153 840621853 /nfs/dbraw/zinc/62/18/53/840621853.db2.gz YMMZTLCFLCGKGS-WOSRLPQWSA-N 0 3 352.435 -0.280 20 0 FBADHN COC(=O)CCS(=O)(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001188370207 840622013 /nfs/dbraw/zinc/62/20/13/840622013.db2.gz OPOSCCRHWYFUQU-UHFFFAOYSA-N 0 3 372.447 -0.597 20 0 FBADHN CCCCOCCN1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001188387513 840623964 /nfs/dbraw/zinc/62/39/64/840623964.db2.gz DMLCQWLNGGOYBY-LSDHHAIUSA-N 0 3 351.451 -0.069 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N1CC[C@H]2CN(CCOC(C)C)C[C@H]21 ZINC001188387612 840623883 /nfs/dbraw/zinc/62/38/83/840623883.db2.gz IJQPZVDACDRMBR-LSDHHAIUSA-N 0 3 354.451 -0.804 20 0 FBADHN CC(C)OCCN1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001188388092 840624194 /nfs/dbraw/zinc/62/41/94/840624194.db2.gz OASZWWKJHLDXST-JKSUJKDBSA-N 0 3 352.479 -0.282 20 0 FBADHN CC(C)COCCN1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001188388796 840624343 /nfs/dbraw/zinc/62/43/43/840624343.db2.gz UGOOGLAKSUDBNA-LSDHHAIUSA-N 0 3 351.451 -0.213 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)[C@@H]2C1 ZINC001188405934 840629135 /nfs/dbraw/zinc/62/91/35/840629135.db2.gz VPLMPWZDQBIZJM-HEHGZKQESA-N 0 3 352.435 -0.110 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)[C@@H]2C1 ZINC001188405935 840629542 /nfs/dbraw/zinc/62/95/42/840629542.db2.gz VPLMPWZDQBIZJM-WOSRLPQWSA-N 0 3 352.435 -0.110 20 0 FBADHN CN(C)Cc1cc(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)no1 ZINC001188406031 840628852 /nfs/dbraw/zinc/62/88/52/840628852.db2.gz YOEHQFNDTVPVKL-XJKSGUPXSA-N 0 3 352.435 -0.109 20 0 FBADHN NC(=O)C1CCC(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001188406049 840629211 /nfs/dbraw/zinc/62/92/11/840629211.db2.gz ZEVHVDSEQCEIDC-SSHXOBKSSA-N 0 3 353.463 -0.180 20 0 FBADHN O=C(c1cn[nH]n1)N1CC[C@H]2CN(C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001188427803 840626323 /nfs/dbraw/zinc/62/63/23/840626323.db2.gz CFERPBSGIVVPHJ-HOSYDEDBSA-N 0 3 363.340 -0.109 20 0 FBADHN O=C(c1cn[nH]n1)N1CC[C@H]2CN(C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001188427804 840626603 /nfs/dbraw/zinc/62/66/03/840626603.db2.gz CFERPBSGIVVPHJ-JBLDHEPKSA-N 0 3 363.340 -0.109 20 0 FBADHN CN1CCC[C@@H](N2C[C@@H]3CCN(C(=O)C(=O)NCC(F)F)[C@@H]3C2)C1=O ZINC001188435625 840627540 /nfs/dbraw/zinc/62/75/40/840627540.db2.gz LAJOIPXSUYFZAP-QJPTWQEYSA-N 0 3 358.389 -0.479 20 0 FBADHN CN1CCC[C@H](N2C[C@@H]3CCN(C(=O)C(=O)NCC(F)F)[C@@H]3C2)C1=O ZINC001188435626 840627749 /nfs/dbraw/zinc/62/77/49/840627749.db2.gz LAJOIPXSUYFZAP-SDDRHHMPSA-N 0 3 358.389 -0.479 20 0 FBADHN Cn1nccc1CCN1C[C@@H]2CCN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 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ZINC001188469857 840631701 /nfs/dbraw/zinc/63/17/01/840631701.db2.gz DJTNQXBJLXDAQL-RWMBFGLXSA-N 0 3 365.459 -0.216 20 0 FBADHN Cc1nnc(COCC(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)s1 ZINC001188469862 840631538 /nfs/dbraw/zinc/63/15/38/840631538.db2.gz DJTNQXBJLXDAQL-YNEHKIRRSA-N 0 3 365.459 -0.216 20 0 FBADHN Cc1nnc(COCC(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)s1 ZINC001188470535 840631689 /nfs/dbraw/zinc/63/16/89/840631689.db2.gz LMVPTUXNDLJTGA-UONOGXRCSA-N 0 3 370.475 -0.095 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)COCc3nnc(C)s3)[C@@H]2C1 ZINC001188470872 840631740 /nfs/dbraw/zinc/63/17/40/840631740.db2.gz YBXGYLQJYGPUIH-BFHYXJOUSA-N 0 3 370.475 -0.097 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)COCc3nnc(C)s3)[C@@H]2C1 ZINC001188470873 840631720 /nfs/dbraw/zinc/63/17/20/840631720.db2.gz YBXGYLQJYGPUIH-MELADBBJSA-N 0 3 370.475 -0.097 20 0 FBADHN CN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCCCNC(N)=O)[C@@H]3C2)C1=O ZINC001188476070 840633276 /nfs/dbraw/zinc/63/32/76/840633276.db2.gz 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CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188495889 840634190 /nfs/dbraw/zinc/63/41/90/840634190.db2.gz QCWJTHFWKPDYJK-GVDBMIGSSA-N 0 3 353.463 -0.214 20 0 FBADHN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188495890 840634027 /nfs/dbraw/zinc/63/40/27/840634027.db2.gz QCWJTHFWKPDYJK-YESZJQIVSA-N 0 3 353.463 -0.214 20 0 FBADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)CCO1 ZINC001188503990 840635104 /nfs/dbraw/zinc/63/51/04/840635104.db2.gz YEXDOSCQBGLKQH-AWEZNQCLSA-N 0 3 370.475 -0.131 20 0 FBADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)CCO1 ZINC001188503994 840635037 /nfs/dbraw/zinc/63/50/37/840635037.db2.gz YEXDOSCQBGLKQH-CQSZACIVSA-N 0 3 370.475 -0.131 20 0 FBADHN COCCn1ccc(C(=O)N2CC[C@H]3CN(C[C@H](O)COC)C[C@H]32)n1 ZINC001188510653 840635383 /nfs/dbraw/zinc/63/53/83/840635383.db2.gz ZQSFWBRJIJZBKT-OFQRWUPVSA-N 0 3 352.435 -0.317 20 0 FBADHN COCCn1ccc(C(=O)N2CC[C@H]3CN(C[C@@H](O)COC)C[C@H]32)n1 ZINC001188510654 840635131 /nfs/dbraw/zinc/63/51/31/840635131.db2.gz ZQSFWBRJIJZBKT-SQWLQELKSA-N 0 3 352.435 -0.317 20 0 FBADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)[C@@H]2C1 ZINC001188527933 840632871 /nfs/dbraw/zinc/63/28/71/840632871.db2.gz AISXUBLSRYCZHD-GZBFAFLISA-N 0 3 350.419 -0.181 20 0 FBADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)[C@@H]2C1 ZINC001188527934 840632813 /nfs/dbraw/zinc/63/28/13/840632813.db2.gz AISXUBLSRYCZHD-KCQAQPDRSA-N 0 3 350.419 -0.181 20 0 FBADHN CCOCCN1C[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)[C@@H]2C1 ZINC001188563064 840636761 /nfs/dbraw/zinc/63/67/61/840636761.db2.gz WGFRLUOAUQUAMK-LSDHHAIUSA-N 0 3 359.492 -0.019 20 0 FBADHN Cc1cncn1CC(=O)N1CC[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001188569054 840636277 /nfs/dbraw/zinc/63/62/77/840636277.db2.gz YPRDFGJWTVEEIT-LSDHHAIUSA-N 0 3 369.491 -0.384 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001188611281 840638768 /nfs/dbraw/zinc/63/87/68/840638768.db2.gz XIKCAEHAAXVKLK-DZGCQCFKSA-N 0 3 350.419 -0.410 20 0 FBADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188629558 840641049 /nfs/dbraw/zinc/64/10/49/840641049.db2.gz AWLBSIJGYYIWAF-SMLCLMEVSA-N 0 3 354.447 -0.421 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H]2CCN(C(=O)COCC(F)F)[C@@H]2C1 ZINC001188658196 840640103 /nfs/dbraw/zinc/64/01/03/840640103.db2.gz FKNPLULLBMTZBL-BFHYXJOUSA-N 0 3 366.405 -0.175 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)COCC(F)F)[C@@H]2C1 ZINC001188658197 840639539 /nfs/dbraw/zinc/63/95/39/840639539.db2.gz FKNPLULLBMTZBL-MELADBBJSA-N 0 3 366.405 -0.175 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)COCC(F)F)[C@@H]2C1 ZINC001188659466 840639871 /nfs/dbraw/zinc/63/98/71/840639871.db2.gz UWARWGNXZWABAI-UONOGXRCSA-N 0 3 363.405 -0.047 20 0 FBADHN CO[C@H](C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21)c1cnn(C)c1 ZINC001188680357 840642641 /nfs/dbraw/zinc/64/26/41/840642641.db2.gz FMDJQAHWTAQHEH-IMJJTQAJSA-N 0 3 352.435 -0.351 20 0 FBADHN CO[C@@H](C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21)c1cnn(C)c1 ZINC001188680358 840642572 /nfs/dbraw/zinc/64/25/72/840642572.db2.gz FMDJQAHWTAQHEH-NUEKZKHPSA-N 0 3 352.435 -0.351 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1 ZINC001188698419 840643372 /nfs/dbraw/zinc/64/33/72/840643372.db2.gz UNLADYTVVPYCLE-OUCADQQQSA-N 0 3 356.448 -0.292 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1 ZINC001188698420 840643331 /nfs/dbraw/zinc/64/33/31/840643331.db2.gz UNLADYTVVPYCLE-SGMGOOAPSA-N 0 3 356.448 -0.292 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1CC[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001188723984 840644514 /nfs/dbraw/zinc/64/45/14/840644514.db2.gz LHOAIYKEQAOMID-GXTWGEPZSA-N 0 3 360.480 -0.858 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1CC[C@H]2CN(CCOCC(C)C)C[C@H]21 ZINC001188724657 840646484 /nfs/dbraw/zinc/64/64/84/840646484.db2.gz ZGIWFLMMDSKAHU-UONOGXRCSA-N 0 3 362.496 -0.755 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3c[nH]nc3C)[C@@H]2C1 ZINC001188732193 840646371 /nfs/dbraw/zinc/64/63/71/840646371.db2.gz XGVXNWVIHBYIKO-OFQRWUPVSA-N 0 3 352.435 -0.112 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840679574 /nfs/dbraw/zinc/67/95/74/840679574.db2.gz KWXZXXADSQDGBI-GXTWGEPZSA-N 0 3 353.419 -0.765 20 0 FBADHN O=C(CCNC(=O)C1CCC1)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001189414137 840680032 /nfs/dbraw/zinc/68/00/32/840680032.db2.gz MATULQHTVILOQH-JKSUJKDBSA-N 0 3 353.463 -0.166 20 0 FBADHN CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001189418712 840680732 /nfs/dbraw/zinc/68/07/32/840680732.db2.gz JYHQRSQMHOEHQD-OFQRWUPVSA-N 0 3 351.451 -0.005 20 0 FBADHN CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001189418714 840681251 /nfs/dbraw/zinc/68/12/51/840681251.db2.gz JYHQRSQMHOEHQD-SQWLQELKSA-N 0 3 351.451 -0.005 20 0 FBADHN COCCOCCN1C[C@@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001189425058 840680594 /nfs/dbraw/zinc/68/05/94/840680594.db2.gz JRQPRLXVQMTFCJ-DLBZAZTESA-N 0 3 355.479 -0.096 20 0 FBADHN CC(C)CCC(=O)NCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001189444478 840683679 /nfs/dbraw/zinc/68/36/79/840683679.db2.gz BRADDKWUDHVOIH-RRFJBIMHSA-N 0 3 350.463 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840684496 /nfs/dbraw/zinc/68/44/96/840684496.db2.gz LLSWQUHZKKXLMV-GARJFASQSA-N 0 3 363.340 -0.109 20 0 FBADHN O=C(c1nc[nH]n1)N1CC[C@H]2CN(C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001189462514 840684610 /nfs/dbraw/zinc/68/46/10/840684610.db2.gz LLSWQUHZKKXLMV-HBNTYKKESA-N 0 3 363.340 -0.109 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001189463249 840684244 /nfs/dbraw/zinc/68/42/44/840684244.db2.gz YHGUPNYFLCGGLP-OFQRWUPVSA-N 0 3 350.419 -0.353 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001189463250 840684854 /nfs/dbraw/zinc/68/48/54/840684854.db2.gz YHGUPNYFLCGGLP-SQWLQELKSA-N 0 3 350.419 -0.353 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189471521 840681989 /nfs/dbraw/zinc/68/19/89/840681989.db2.gz VFWHOUQADFNHDB-LSDHHAIUSA-N 0 3 360.524 -0.248 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001189471962 840681791 /nfs/dbraw/zinc/68/17/91/840681791.db2.gz YATXYDAUJXGDNJ-JKSUJKDBSA-N 0 3 352.479 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357.436 -0.171 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001191692528 840857088 /nfs/dbraw/zinc/85/70/88/840857088.db2.gz KHPJPPYQYFNISZ-SNVBAGLBSA-N 0 3 357.436 -0.171 20 0 FBADHN CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001191793720 840865835 /nfs/dbraw/zinc/86/58/35/840865835.db2.gz NTAFBEZNGDCLPD-BZUAXINKSA-N 0 3 350.467 -0.296 20 0 FBADHN CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001191793729 840865733 /nfs/dbraw/zinc/86/57/33/840865733.db2.gz NTAFBEZNGDCLPD-OWCLPIDISA-N 0 3 350.467 -0.296 20 0 FBADHN CCC(=O)NCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001191832524 840869830 /nfs/dbraw/zinc/86/98/30/840869830.db2.gz GVSRIMVDABUGEB-GHMZBOCLSA-N 0 3 355.357 -0.357 20 0 FBADHN CCC(=O)NCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001191872723 840871907 /nfs/dbraw/zinc/87/19/07/840871907.db2.gz MWLMNEFFVJBNCQ-ZIAGYGMSSA-N 0 3 352.439 -0.864 20 0 FBADHN COCCOCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001191916206 840882236 /nfs/dbraw/zinc/88/22/36/840882236.db2.gz JBKYCYMOIXLTBP-HUUCEWRRSA-N 0 3 355.439 -0.727 20 0 FBADHN Cc1n[nH]c(C(=O)N[C@@H]2CN(CCNC(=O)NC(C)C)C[C@H]2O)c1C ZINC001191935836 840878385 /nfs/dbraw/zinc/87/83/85/840878385.db2.gz JEGCWVMDQCCAOF-CHWSQXEVSA-N 0 3 352.439 -0.491 20 0 FBADHN CN1CCO[C@@H](C(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001192013880 840886762 /nfs/dbraw/zinc/88/67/62/840886762.db2.gz MXUIPSQZPNIFRJ-JHJVBQTASA-N 0 3 369.384 -0.553 20 0 FBADHN CN1CCO[C@H](C(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001192013917 840887111 /nfs/dbraw/zinc/88/71/11/840887111.db2.gz MXUIPSQZPNIFRJ-UPJWGTAASA-N 0 3 369.384 -0.553 20 0 FBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ncon3)CC2)C1=O ZINC001192016795 840888044 /nfs/dbraw/zinc/88/80/44/840888044.db2.gz VHYXTRUGQSDEOM-UHFFFAOYSA-N 0 3 350.423 -0.620 20 0 FBADHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@@H]2C1 ZINC001192021398 840888011 /nfs/dbraw/zinc/88/80/11/840888011.db2.gz KFFFWFYUVOLBHW-MNOVXSKESA-N 0 3 364.427 -0.211 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ZINC001192040698 840891702 /nfs/dbraw/zinc/89/17/02/840891702.db2.gz CFSNSQAGJLEBKW-QAETUUGQSA-N 0 3 374.503 -0.198 20 0 FBADHN CN(C)CCN1CCN(S(=O)(=O)CCOC2CCOCC2)CC1=O ZINC001192066695 840894623 /nfs/dbraw/zinc/89/46/23/840894623.db2.gz RRNWGXBXAOHOIW-UHFFFAOYSA-N 0 3 363.480 -0.782 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192103217 840895281 /nfs/dbraw/zinc/89/52/81/840895281.db2.gz KJOBHXHRLZJNEO-VXGBXAGGSA-N 0 3 350.448 -0.094 20 0 FBADHN Cc1cc(CC(=O)N[C@@H]2CN(CCCO[C@H]3CCOC3)C[C@H]2O)n[nH]1 ZINC001192109846 840897629 /nfs/dbraw/zinc/89/76/29/840897629.db2.gz QBVJIVUWCCIVMW-ARFHVFGLSA-N 0 3 352.435 -0.382 20 0 FBADHN Cc1cc(CC(=O)N[C@@H]2CN(CCCO[C@H]3CCOC3)C[C@H]2O)[nH]n1 ZINC001192109846 840897620 /nfs/dbraw/zinc/89/76/20/840897620.db2.gz QBVJIVUWCCIVMW-ARFHVFGLSA-N 0 3 352.435 -0.382 20 0 FBADHN Cc1cc(CC(=O)N[C@@H]2CN(CCCO[C@@H]3CCOC3)C[C@H]2O)n[nH]1 ZINC001192109848 840897561 /nfs/dbraw/zinc/89/75/61/840897561.db2.gz QBVJIVUWCCIVMW-BZUAXINKSA-N 0 3 352.435 -0.382 20 0 FBADHN Cc1cc(CC(=O)N[C@@H]2CN(CCCO[C@@H]3CCOC3)C[C@H]2O)[nH]n1 ZINC001192109848 840897555 /nfs/dbraw/zinc/89/75/55/840897555.db2.gz QBVJIVUWCCIVMW-BZUAXINKSA-N 0 3 352.435 -0.382 20 0 FBADHN O=C(CCc1nc[nH]n1)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001192110104 840897238 /nfs/dbraw/zinc/89/72/38/840897238.db2.gz VYBBHGKYGPVSBP-BFHYXJOUSA-N 0 3 353.423 -0.906 20 0 FBADHN O=C(CCc1nc[nH]n1)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O ZINC001192110105 840897045 /nfs/dbraw/zinc/89/70/45/840897045.db2.gz VYBBHGKYGPVSBP-MGPQQGTHSA-N 0 3 353.423 -0.906 20 0 FBADHN O=C(N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001192178553 840903579 /nfs/dbraw/zinc/90/35/79/840903579.db2.gz PCPHYDGPMUOWMM-RBSFLKMASA-N 0 3 351.403 -0.242 20 0 FBADHN O=C(N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001192178554 840904177 /nfs/dbraw/zinc/90/41/77/840904177.db2.gz PCPHYDGPMUOWMM-RRFJBIMHSA-N 0 3 351.403 -0.242 20 0 FBADHN O=C(CN1CCOCC1)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001192270247 840910206 /nfs/dbraw/zinc/91/02/06/840910206.db2.gz CDQKKUUMLAIVRQ-CHWSQXEVSA-N 0 3 369.384 -0.551 20 0 FBADHN CN(C)C(=O)NCCN(C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001192316302 840913785 /nfs/dbraw/zinc/91/37/85/840913785.db2.gz YPPAGOTYFZRQIY-UHFFFAOYSA-N 0 3 371.463 -0.134 20 0 FBADHN O=C(CN1CN=NC1=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001192321367 840914546 /nfs/dbraw/zinc/91/45/46/840914546.db2.gz XYAVNUKAGUSDIE-NXEZZACHSA-N 0 3 367.328 -0.886 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001192362042 840918684 /nfs/dbraw/zinc/91/86/84/840918684.db2.gz CRRUYLFEXQTHKY-GHMZBOCLSA-N 0 3 355.357 -0.357 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001192364844 840918891 /nfs/dbraw/zinc/91/88/91/840918891.db2.gz WTFKWFMUCUYAJV-ZIAGYGMSSA-N 0 3 352.439 -0.864 20 0 FBADHN O=C(N[C@@H]1C[N@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H]1O)c1cncnc1 ZINC001192364941 840918736 /nfs/dbraw/zinc/91/87/36/840918736.db2.gz ZZQPGYBYSFEIJH-GHMZBOCLSA-N 0 3 361.324 -0.680 20 0 FBADHN O=C(N[C@@H]1C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H]1O)c1cncnc1 ZINC001192364941 840918733 /nfs/dbraw/zinc/91/87/33/840918733.db2.gz ZZQPGYBYSFEIJH-GHMZBOCLSA-N 0 3 361.324 -0.680 20 0 FBADHN CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001192368914 840918318 /nfs/dbraw/zinc/91/83/18/840918318.db2.gz VIEJSWOBVBMTKR-ILXRZTDVSA-N 0 3 350.463 -0.053 20 0 FBADHN CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001192368917 840919140 /nfs/dbraw/zinc/91/91/40/840919140.db2.gz VIEJSWOBVBMTKR-QLFBSQMISA-N 0 3 350.463 -0.053 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N(C)CCNC(=O)C2CC2)C1 ZINC001192377234 840920526 /nfs/dbraw/zinc/92/05/26/840920526.db2.gz JMWNKMCRNTVHFP-KFWWJZLASA-N 0 3 350.463 -0.230 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N(C)CCNC(=O)C2CC2)C1 ZINC001192377236 840919580 /nfs/dbraw/zinc/91/95/80/840919580.db2.gz JMWNKMCRNTVHFP-ZNMIVQPWSA-N 0 3 350.463 -0.230 20 0 FBADHN CN(CCNC(=O)NC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377928 840920332 /nfs/dbraw/zinc/92/03/32/840920332.db2.gz PEAGRHHTDDNGFA-UPJWGTAASA-N 0 3 353.467 -0.262 20 0 FBADHN CN(CCNC(=O)NC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377929 840920957 /nfs/dbraw/zinc/92/09/57/840920957.db2.gz PEAGRHHTDDNGFA-XQQFMLRXSA-N 0 3 353.467 -0.262 20 0 FBADHN O=C(CCn1ccnn1)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001192445090 840932889 /nfs/dbraw/zinc/93/28/89/840932889.db2.gz SBHJWYTUYWRDAJ-VXGBXAGGSA-N 0 3 365.356 -0.202 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O ZINC001192467172 840930444 /nfs/dbraw/zinc/93/04/44/840930444.db2.gz BRCPKPRRVIDNEY-NWANDNLSSA-N 0 3 356.467 -0.199 20 0 FBADHN Cn1nccc1CC(=O)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1O ZINC001192494173 840936780 /nfs/dbraw/zinc/93/67/80/840936780.db2.gz DXGBIPADTRVPHU-ARFHVFGLSA-N 0 3 352.435 -0.681 20 0 FBADHN Cn1nccc1CC(=O)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001192494176 840936232 /nfs/dbraw/zinc/93/62/32/840936232.db2.gz DXGBIPADTRVPHU-BZUAXINKSA-N 0 3 352.435 -0.681 20 0 FBADHN O=C(CCn1ccnn1)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001192546476 840939117 /nfs/dbraw/zinc/93/91/17/840939117.db2.gz HDWNKPQZKSKJLN-BZUAXINKSA-N 0 3 351.451 -0.229 20 0 FBADHN O=C(CCn1ccnn1)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001192546478 840939018 /nfs/dbraw/zinc/93/90/18/840939018.db2.gz HDWNKPQZKSKJLN-OWCLPIDISA-N 0 3 351.451 -0.229 20 0 FBADHN O=C(CCc1ncc[nH]1)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001192580904 840944039 /nfs/dbraw/zinc/94/40/39/840944039.db2.gz OLEZPRYQUQVZBQ-RBSFLKMASA-N 0 3 352.435 -0.301 20 0 FBADHN O=C(CCc1ncc[nH]1)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1O ZINC001192580906 840943567 /nfs/dbraw/zinc/94/35/67/840943567.db2.gz OLEZPRYQUQVZBQ-RRFJBIMHSA-N 0 3 352.435 -0.301 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001192590769 840944993 /nfs/dbraw/zinc/94/49/93/840944993.db2.gz KMCGGUNPJXBNKN-QLFBSQMISA-N 0 3 355.435 -0.147 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001192590770 840945607 /nfs/dbraw/zinc/94/56/07/840945607.db2.gz KMCGGUNPJXBNKN-RBSFLKMASA-N 0 3 355.435 -0.147 20 0 FBADHN COC(=O)CC1(NCC(=O)NC2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001192604363 840946529 /nfs/dbraw/zinc/94/65/29/840946529.db2.gz MGKHQZIUSATTKD-UHFFFAOYSA-N 0 3 361.464 -0.398 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001192674534 840952176 /nfs/dbraw/zinc/95/21/76/840952176.db2.gz BPPYBOWXJIMHLO-GHMZBOCLSA-N 0 3 370.372 -0.564 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC001192701956 840955840 /nfs/dbraw/zinc/95/58/40/840955840.db2.gz DKLPUOVNMWPFCI-HUUCEWRRSA-N 0 3 356.467 -0.326 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@H](OC)C2CCCC2)C[C@H]1O ZINC001192702100 840955096 /nfs/dbraw/zinc/95/50/96/840955096.db2.gz JANNAJHSYODXBE-KFWWJZLASA-N 0 3 356.467 -0.328 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@@H](OC)C2CCCC2)C[C@H]1O ZINC001192702102 840955649 /nfs/dbraw/zinc/95/56/49/840955649.db2.gz JANNAJHSYODXBE-RBSFLKMASA-N 0 3 356.467 -0.328 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001192702300 840955558 /nfs/dbraw/zinc/95/55/58/840955558.db2.gz LDBPVTZNXBHLQX-QLFBSQMISA-N 0 3 356.467 -0.592 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001192702301 840955359 /nfs/dbraw/zinc/95/53/59/840955359.db2.gz LDBPVTZNXBHLQX-RBSFLKMASA-N 0 3 356.467 -0.592 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]2O)n[nH]1 ZINC001192751942 840963509 /nfs/dbraw/zinc/96/35/09/840963509.db2.gz NGQSTTRHXIADBQ-BFHYXJOUSA-N 0 3 353.423 -0.987 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@H]2O)n[nH]1 ZINC001192751943 840963394 /nfs/dbraw/zinc/96/33/94/840963394.db2.gz NGQSTTRHXIADBQ-MGPQQGTHSA-N 0 3 353.423 -0.987 20 0 FBADHN Cc1nnc(CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)[nH]1 ZINC001192752170 840963607 /nfs/dbraw/zinc/96/36/07/840963607.db2.gz UNPDDJACDCKSKR-GHMZBOCLSA-N 0 3 365.356 -0.214 20 0 FBADHN Cc1nnc(CC(=O)N[C@@H]2CN(CCCO[C@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001192752386 840963178 /nfs/dbraw/zinc/96/31/78/840963178.db2.gz YNSKRRQMVGLBOD-BFHYXJOUSA-N 0 3 353.423 -0.987 20 0 FBADHN Cc1nnc(CC(=O)N[C@@H]2CN(CCCO[C@@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001192752462 840963017 /nfs/dbraw/zinc/96/30/17/840963017.db2.gz YNSKRRQMVGLBOD-MGPQQGTHSA-N 0 3 353.423 -0.987 20 0 FBADHN O=C(CC1(O)CCC1)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001192784985 840961812 /nfs/dbraw/zinc/96/18/12/840961812.db2.gz QVEUAFVZOAZPAI-HUUCEWRRSA-N 0 3 351.451 -0.085 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O ZINC001192843949 840969076 /nfs/dbraw/zinc/96/90/76/840969076.db2.gz CHGDRNCVKBWIJW-QLFBSQMISA-N 0 3 361.508 -0.545 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O ZINC001192843950 840968495 /nfs/dbraw/zinc/96/84/95/840968495.db2.gz CHGDRNCVKBWIJW-RBSFLKMASA-N 0 3 361.508 -0.545 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001192844025 840968647 /nfs/dbraw/zinc/96/86/47/840968647.db2.gz FXMFVRDWXQDPBA-BZUAXINKSA-N 0 3 354.495 -0.063 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001192844026 840968248 /nfs/dbraw/zinc/96/82/48/840968248.db2.gz FXMFVRDWXQDPBA-OWCLPIDISA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001192844146 840968915 /nfs/dbraw/zinc/96/89/15/840968915.db2.gz JYMKPMQIGUNGMV-BZUAXINKSA-N 0 3 354.495 -0.207 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001192844147 840968670 /nfs/dbraw/zinc/96/86/70/840968670.db2.gz JYMKPMQIGUNGMV-OWCLPIDISA-N 0 3 354.495 -0.207 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O ZINC001192844347 840968979 /nfs/dbraw/zinc/96/89/79/840968979.db2.gz PXLBIKMWWVLJPW-BZUAXINKSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O ZINC001192844348 840969201 /nfs/dbraw/zinc/96/92/01/840969201.db2.gz PXLBIKMWWVLJPW-OWCLPIDISA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O ZINC001192844362 840968444 /nfs/dbraw/zinc/96/84/44/840968444.db2.gz QJHWFAAVPSAAMC-BZUAXINKSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O ZINC001192844363 840968477 /nfs/dbraw/zinc/96/84/77/840968477.db2.gz QJHWFAAVPSAAMC-OWCLPIDISA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001192844370 840969109 /nfs/dbraw/zinc/96/91/09/840969109.db2.gz QNECXULOMWCSCE-BZUAXINKSA-N 0 3 354.495 -0.113 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001192844371 840969030 /nfs/dbraw/zinc/96/90/30/840969030.db2.gz QNECXULOMWCSCE-OWCLPIDISA-N 0 3 354.495 -0.113 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001192844426 840968510 /nfs/dbraw/zinc/96/85/10/840968510.db2.gz SUPRTOZMFCRHKQ-BZUAXINKSA-N 0 3 354.495 -0.111 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001192844427 840968327 /nfs/dbraw/zinc/96/83/27/840968327.db2.gz SUPRTOZMFCRHKQ-OWCLPIDISA-N 0 3 354.495 -0.111 20 0 FBADHN COCC1(CC(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001192844547 840968767 /nfs/dbraw/zinc/96/87/67/840968767.db2.gz XRIZDXHQBFVLOZ-RBSFLKMASA-N 0 3 353.463 -0.119 20 0 FBADHN COCC1(CC(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001192844548 840968798 /nfs/dbraw/zinc/96/87/98/840968798.db2.gz XRIZDXHQBFVLOZ-RRFJBIMHSA-N 0 3 353.463 -0.119 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O ZINC001192844583 840968350 /nfs/dbraw/zinc/96/83/50/840968350.db2.gz YOWAHDVENBSQBR-QLFBSQMISA-N 0 3 354.495 -0.065 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O ZINC001192844584 840968569 /nfs/dbraw/zinc/96/85/69/840968569.db2.gz YOWAHDVENBSQBR-RBSFLKMASA-N 0 3 354.495 -0.065 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001192862301 840971152 /nfs/dbraw/zinc/97/11/52/840971152.db2.gz OWHQKSMLCNTMLG-RBSFLKMASA-N 0 3 354.451 -0.620 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001192862302 840971433 /nfs/dbraw/zinc/97/14/33/840971433.db2.gz OWHQKSMLCNTMLG-RRFJBIMHSA-N 0 3 354.451 -0.620 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001192862766 840971045 /nfs/dbraw/zinc/97/10/45/840971045.db2.gz VBPDMEFRLAADKF-RBSFLKMASA-N 0 3 354.451 -0.478 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001192862768 840971591 /nfs/dbraw/zinc/97/15/91/840971591.db2.gz VBPDMEFRLAADKF-RRFJBIMHSA-N 0 3 354.451 -0.478 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001192862935 840971497 /nfs/dbraw/zinc/97/14/97/840971497.db2.gz YPHSZASUPLOKHN-HUUCEWRRSA-N 0 3 356.467 -0.230 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@H]1O ZINC001192878332 840968605 /nfs/dbraw/zinc/96/86/05/840968605.db2.gz CAVCSMFLYZFBQG-HZPDHXFCSA-N 0 3 369.487 -0.096 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001192915790 840975641 /nfs/dbraw/zinc/97/56/41/840975641.db2.gz FGVMWNBTEMROLT-CHWSQXEVSA-N 0 3 368.475 -0.974 20 0 FBADHN CCCCCCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192915948 840976022 /nfs/dbraw/zinc/97/60/22/840976022.db2.gz JHIZDDDNYJVPFF-ZIAGYGMSSA-N 0 3 364.512 -0.534 20 0 FBADHN CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192916787 840975758 /nfs/dbraw/zinc/97/57/58/840975758.db2.gz QLESCCSCJIFCKC-ZIAGYGMSSA-N 0 3 364.512 -0.678 20 0 FBADHN CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192916835 840975857 /nfs/dbraw/zinc/97/58/57/840975857.db2.gz UAFKNCXKCSABIF-JLVOYYQZSA-N 0 3 362.496 -0.758 20 0 FBADHN CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192916837 840975065 /nfs/dbraw/zinc/97/50/65/840975065.db2.gz UAFKNCXKCSABIF-YOIVVXPQSA-N 0 3 362.496 -0.758 20 0 FBADHN CCCCCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192916977 840975606 /nfs/dbraw/zinc/97/56/06/840975606.db2.gz VZGVYRCKOIDVOD-CHWSQXEVSA-N 0 3 350.485 -0.924 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC001192924191 840982016 /nfs/dbraw/zinc/98/20/16/840982016.db2.gz CFTPNISKYCZAEB-HUUCEWRRSA-N 0 3 355.460 -0.670 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001192924542 840981236 /nfs/dbraw/zinc/98/12/36/840981236.db2.gz LHDGPGRYZDAGTJ-BFHYXJOUSA-N 0 3 363.480 -0.954 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC001192924543 840981368 /nfs/dbraw/zinc/98/13/68/840981368.db2.gz LHDGPGRYZDAGTJ-MGPQQGTHSA-N 0 3 363.480 -0.954 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001192924560 840981290 /nfs/dbraw/zinc/98/12/90/840981290.db2.gz LWWYQWASMBCOPA-HUUCEWRRSA-N 0 3 359.492 -0.023 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001192925096 840981193 /nfs/dbraw/zinc/98/11/93/840981193.db2.gz UGMYNGYGPHDELZ-IJLUTSLNSA-N 0 3 369.434 -0.478 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001192925106 840981601 /nfs/dbraw/zinc/98/16/01/840981601.db2.gz UGMYNGYGPHDELZ-QJPTWQEYSA-N 0 3 369.434 -0.478 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCc2ccc(C)cc2)C[C@H]1O ZINC001192925175 840981351 /nfs/dbraw/zinc/98/13/51/840981351.db2.gz WRCPFPHUPSPMGZ-HZPDHXFCSA-N 0 3 369.487 -0.362 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H]1O ZINC001192925322 840981268 /nfs/dbraw/zinc/98/12/68/840981268.db2.gz ZMMSOXHVGAIVOL-BZUAXINKSA-N 0 3 367.471 -0.226 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H]1O ZINC001192925324 840980949 /nfs/dbraw/zinc/98/09/49/840980949.db2.gz ZMMSOXHVGAIVOL-OWCLPIDISA-N 0 3 367.471 -0.226 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001192932321 840982591 /nfs/dbraw/zinc/98/25/91/840982591.db2.gz UJWRMHBESDCGSJ-HZPDHXFCSA-N 0 3 369.487 -0.280 20 0 FBADHN C[C@H](CC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)NC(N)=O ZINC001192942321 840975208 /nfs/dbraw/zinc/97/52/08/840975208.db2.gz ATTFAXSBZNOPIO-BPLDGKMQSA-N 0 3 356.467 -0.199 20 0 FBADHN C[C@@H](CC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)NC(N)=O ZINC001192942328 840975188 /nfs/dbraw/zinc/97/51/88/840975188.db2.gz ATTFAXSBZNOPIO-NWANDNLSSA-N 0 3 356.467 -0.199 20 0 FBADHN C[C@H](CC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O)NC(N)=O ZINC001192942950 840976688 /nfs/dbraw/zinc/97/66/88/840976688.db2.gz JDTUSIDXIDQJGG-GMTAPVOTSA-N 0 3 370.372 -0.436 20 0 FBADHN C[C@@H](CC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O)NC(N)=O ZINC001192942951 840977114 /nfs/dbraw/zinc/97/71/14/840977114.db2.gz JDTUSIDXIDQJGG-HBNTYKKESA-N 0 3 370.372 -0.436 20 0 FBADHN O=C(CCOCC1CC1)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001192953680 840978927 /nfs/dbraw/zinc/97/89/27/840978927.db2.gz KSHVUYAOIBDZQB-FVQBIDKESA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(CCOCC1CC1)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001192953681 840979138 /nfs/dbraw/zinc/97/91/38/840979138.db2.gz KSHVUYAOIBDZQB-NUEKZKHPSA-N 0 3 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840993660 /nfs/dbraw/zinc/99/36/60/840993660.db2.gz UWEHUXWOTBYVCP-HUUCEWRRSA-N 0 3 352.439 -0.569 20 0 FBADHN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001193031306 840993897 /nfs/dbraw/zinc/99/38/97/840993897.db2.gz BNHCHTLHYOXIAP-RBSFLKMASA-N 0 3 352.435 -0.386 20 0 FBADHN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001193031307 840993492 /nfs/dbraw/zinc/99/34/92/840993492.db2.gz BNHCHTLHYOXIAP-RRFJBIMHSA-N 0 3 352.435 -0.386 20 0 FBADHN O=C(CCOCC(F)F)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001193042084 840990617 /nfs/dbraw/zinc/99/06/17/840990617.db2.gz XLGOEAKGGFUEJI-JHJVBQTASA-N 0 3 363.405 -0.264 20 0 FBADHN O=C(CCOCC(F)F)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001193042085 840990789 /nfs/dbraw/zinc/99/07/89/840990789.db2.gz XLGOEAKGGFUEJI-YNEHKIRRSA-N 0 3 363.405 -0.264 20 0 FBADHN CCOC(=O)C(C)(C)S(=O)(=O)N1CCC(=O)N(CCN(C)C)CC1 ZINC001193047128 840992527 /nfs/dbraw/zinc/99/25/27/840992527.db2.gz PFZVEXTVEPPZBH-UHFFFAOYSA-N 0 3 363.480 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ZINC001193977912 841103307 /nfs/dbraw/zinc/10/33/07/841103307.db2.gz FNHCJBAYNILVHF-LERXQTSPSA-N 0 3 350.419 -0.005 20 0 FBADHN C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001193977913 841103788 /nfs/dbraw/zinc/10/37/88/841103788.db2.gz FNHCJBAYNILVHF-ZLKJLUDKSA-N 0 3 350.419 -0.005 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 ZINC001193988636 841105244 /nfs/dbraw/zinc/10/52/44/841105244.db2.gz RHNKLAGYKMTDMD-HUUCEWRRSA-N 0 3 354.451 -0.085 20 0 FBADHN Cn1ccnc1COCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O ZINC001194009968 841106328 /nfs/dbraw/zinc/10/63/28/841106328.db2.gz FWFVSGAHVNFUME-RBSFLKMASA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1ccnc1COCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O ZINC001194009971 841106747 /nfs/dbraw/zinc/10/67/47/841106747.db2.gz FWFVSGAHVNFUME-RRFJBIMHSA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1ccnc1COCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001194010316 841106247 /nfs/dbraw/zinc/10/62/47/841106247.db2.gz IHXNCQSISPWCHK-RBSFLKMASA-N 0 3 352.435 -0.333 20 0 FBADHN Cn1ccnc1COCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001194010318 841106414 /nfs/dbraw/zinc/10/64/14/841106414.db2.gz IHXNCQSISPWCHK-RRFJBIMHSA-N 0 3 352.435 -0.333 20 0 FBADHN Cn1ccnc1COCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001194010789 841106775 /nfs/dbraw/zinc/10/67/75/841106775.db2.gz PAKANWQUJSISQO-RBSFLKMASA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1ccnc1COCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001194010791 841106639 /nfs/dbraw/zinc/10/66/39/841106639.db2.gz PAKANWQUJSISQO-RRFJBIMHSA-N 0 3 352.435 -0.475 20 0 FBADHN O=C(N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1O)c1cnc[nH]c1=O ZINC001194016178 841107528 /nfs/dbraw/zinc/10/75/28/841107528.db2.gz OZDWEFKIJGIONF-IACUBPJLSA-N 0 3 352.391 -0.847 20 0 FBADHN O=C(N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1O)c1cnc[nH]c1=O ZINC001194016179 841107984 /nfs/dbraw/zinc/10/79/84/841107984.db2.gz OZDWEFKIJGIONF-MRVWCRGKSA-N 0 3 352.391 -0.847 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001194033054 841109645 /nfs/dbraw/zinc/10/96/45/841109645.db2.gz VEYQHCCFZAGTBP-ZIAGYGMSSA-N 0 3 352.435 -0.022 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001194038889 841110335 /nfs/dbraw/zinc/11/03/35/841110335.db2.gz KBKBPQQIFACKQO-FVQBIDKESA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001194038890 841110708 /nfs/dbraw/zinc/11/07/08/841110708.db2.gz KBKBPQQIFACKQO-NUEKZKHPSA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O ZINC001194039064 841111768 /nfs/dbraw/zinc/11/17/68/841111768.db2.gz MGXQRLWCNGUVNF-FVQBIDKESA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O ZINC001194039065 841111401 /nfs/dbraw/zinc/11/14/01/841111401.db2.gz MGXQRLWCNGUVNF-NUEKZKHPSA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001194039287 841111752 /nfs/dbraw/zinc/11/17/52/841111752.db2.gz NILXFMZYQBSSHJ-ARFHVFGLSA-N 0 3 352.435 -0.333 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001194039290 841111451 /nfs/dbraw/zinc/11/14/51/841111451.db2.gz NILXFMZYQBSSHJ-BZUAXINKSA-N 0 3 352.435 -0.333 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194045953 841112587 /nfs/dbraw/zinc/11/25/87/841112587.db2.gz KVHGYYYTRAQNDA-HZPDHXFCSA-N 0 3 354.451 -0.085 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001194073956 841114323 /nfs/dbraw/zinc/11/43/23/841114323.db2.gz AGXDOXILTZXCAT-HUUCEWRRSA-N 0 3 353.419 -0.108 20 0 FBADHN O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001194076991 841114586 /nfs/dbraw/zinc/11/45/86/841114586.db2.gz VGKJILBLQPOVDP-RBSFLKMASA-N 0 3 351.403 -0.498 20 0 FBADHN O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001194076992 841114667 /nfs/dbraw/zinc/11/46/67/841114667.db2.gz VGKJILBLQPOVDP-RRFJBIMHSA-N 0 3 351.403 -0.498 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O)N(C)C ZINC001194085562 841114781 /nfs/dbraw/zinc/11/47/81/841114781.db2.gz CTSSIRNVAYOYCY-BZUAXINKSA-N 0 3 350.467 -0.310 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnc(C)n2C2CC2)C[C@H]1O)N(C)C ZINC001194085592 841114301 /nfs/dbraw/zinc/11/43/01/841114301.db2.gz DWBFFBCMCATQBD-RBSFLKMASA-N 0 3 350.467 -0.077 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@H]1O)N(C)C ZINC001194085635 841114419 /nfs/dbraw/zinc/11/44/19/841114419.db2.gz GTZSHFMEEXSZLL-RBSFLKMASA-N 0 3 352.483 -0.064 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1O)N(C)C ZINC001194085885 841111568 /nfs/dbraw/zinc/11/15/68/841111568.db2.gz LKKPCRIWOYLVNW-IJLUTSLNSA-N 0 3 356.496 -0.394 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)no2)C[C@H]1O)N(C)C ZINC001194085990 841112559 /nfs/dbraw/zinc/11/25/59/841112559.db2.gz MXEBBTQXPLELMM-JHJVBQTASA-N 0 3 353.423 -0.577 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1O)N(C)C ZINC001194086041 841112360 /nfs/dbraw/zinc/11/23/60/841112360.db2.gz OCQVOMCDAKNLCK-RBSFLKMASA-N 0 3 352.435 -0.603 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O)N(C)C ZINC001194086080 841113541 /nfs/dbraw/zinc/11/35/41/841113541.db2.gz OSACKEAYBFWRDH-IJLUTSLNSA-N 0 3 355.464 -0.417 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1O)N(C)C ZINC001194086102 841113318 /nfs/dbraw/zinc/11/33/18/841113318.db2.gz PJLGNBVGJFLVMG-BZUAXINKSA-N 0 3 354.495 -0.063 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)on2)C[C@H]1O)N(C)C ZINC001194086103 841113579 /nfs/dbraw/zinc/11/35/79/841113579.db2.gz PJRDJOWYQDTKHF-JHJVBQTASA-N 0 3 353.423 -0.577 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O)N(C)C ZINC001194086121 841113372 /nfs/dbraw/zinc/11/33/72/841113372.db2.gz QEISCVZGPSBLGG-MGPQQGTHSA-N 0 3 350.467 -0.384 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1O)N(C)C ZINC001194086211 841114495 /nfs/dbraw/zinc/11/44/95/841114495.db2.gz SNFREPKJSYRPGN-BZUAXINKSA-N 0 3 354.495 -0.254 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnc(C(C)C)n2C)C[C@H]1O)N(C)C ZINC001194086213 841114541 /nfs/dbraw/zinc/11/45/41/841114541.db2.gz SOOUGGDSXWLDAC-MGPQQGTHSA-N 0 3 352.483 -0.060 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1O)N(C)C ZINC001194086733 841118897 /nfs/dbraw/zinc/11/88/97/841118897.db2.gz VKFOORDTIXRAOJ-JHJVBQTASA-N 0 3 353.471 -0.570 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2cnc(OC)nc2C)C[C@H]1O)N(C)C ZINC001194086802 841118806 /nfs/dbraw/zinc/11/88/06/841118806.db2.gz WPCZLMXUAMDSLT-RBSFLKMASA-N 0 3 351.451 -0.205 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@H]1O)N(C)C ZINC001194087077 841118541 /nfs/dbraw/zinc/11/85/41/841118541.db2.gz XSNVQLRGUKMYKN-IJLUTSLNSA-N 0 3 360.409 -0.455 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O)N(C)C ZINC001194087145 841118941 /nfs/dbraw/zinc/11/89/41/841118941.db2.gz ZBBOTPYZMIWKRH-GMTAPVOTSA-N 0 3 354.373 -0.834 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O)N(C)C ZINC001194087168 841118527 /nfs/dbraw/zinc/11/85/27/841118527.db2.gz ZJTMYPFIPUXUQV-BZUAXINKSA-N 0 3 354.495 -0.110 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@H]1O)N(C)C ZINC001194087169 841118572 /nfs/dbraw/zinc/11/85/72/841118572.db2.gz ZLUXYGIZIAFMAL-JHJVBQTASA-N 0 3 355.439 -0.740 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1O)N(C)C ZINC001194094949 841118557 /nfs/dbraw/zinc/11/85/57/841118557.db2.gz ACLCFZSIJRJUKY-MGPQQGTHSA-N 0 3 350.467 -0.306 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@H]1O)N(C)C ZINC001194094976 841118602 /nfs/dbraw/zinc/11/86/02/841118602.db2.gz AOPSBACKWUURFH-JHJVBQTASA-N 0 3 355.439 -0.740 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@H]1O)N(C)C ZINC001194094996 841118745 /nfs/dbraw/zinc/11/87/45/841118745.db2.gz AWYVUTURPLKCPI-IJLUTSLNSA-N 0 3 370.479 -0.713 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O)N(C)C ZINC001194094999 841119024 /nfs/dbraw/zinc/11/90/24/841119024.db2.gz BAGOTTWDUJIMEG-MGPQQGTHSA-N 0 3 357.499 -0.414 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1O)N(C)C ZINC001194095021 841118717 /nfs/dbraw/zinc/11/87/17/841118717.db2.gz BPTHPCIOXWPQHI-JHJVBQTASA-N 0 3 369.491 -0.393 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1O)N(C)C ZINC001194095415 841119099 /nfs/dbraw/zinc/11/90/99/841119099.db2.gz HJASABKTYOHLTA-JHJVBQTASA-N 0 3 353.471 -0.570 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1O)N(C)C ZINC001194095627 841118631 /nfs/dbraw/zinc/11/86/31/841118631.db2.gz JFDNBCRJFZTLTI-MGPQQGTHSA-N 0 3 361.508 -0.687 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@H]1O)N(C)C ZINC001194095641 841118928 /nfs/dbraw/zinc/11/89/28/841118928.db2.gz JPIXPLDJPUFXHG-MGPQQGTHSA-N 0 3 356.492 -0.280 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCc2cccs2)C[C@H]1O)N(C)C ZINC001194095731 841118700 /nfs/dbraw/zinc/11/87/00/841118700.db2.gz NGFGYLRTYSQCPT-RBSFLKMASA-N 0 3 368.503 -0.134 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nc(C)cs2)C[C@H]1O)N(C)C ZINC001194095742 841119055 /nfs/dbraw/zinc/11/90/55/841119055.db2.gz NZUTZIXHNNYBOQ-JHJVBQTASA-N 0 3 369.491 -0.108 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001194095886 841120565 /nfs/dbraw/zinc/12/05/65/841120565.db2.gz ULHXIRHEDASYQY-MGPQQGTHSA-N 0 3 353.471 -0.525 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@H]1O)N(C)C ZINC001194095944 841120507 /nfs/dbraw/zinc/12/05/07/841120507.db2.gz WPHHCJDBWZADLI-RBSFLKMASA-N 0 3 352.435 -0.251 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O)N(C)C ZINC001194095985 841119918 /nfs/dbraw/zinc/11/99/18/841119918.db2.gz YIEVPSQGNHZOJN-RBSFLKMASA-N 0 3 361.508 -0.687 20 0 FBADHN CCOc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N(C)C)C2)s1 ZINC001194102142 841120530 /nfs/dbraw/zinc/12/05/30/841120530.db2.gz CNWUWMNCLWUAEB-IJLUTSLNSA-N 0 3 357.480 -0.062 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2cc(=O)c(OC)co2)C[C@H]1O)N(C)C ZINC001194102313 841119936 /nfs/dbraw/zinc/11/99/36/841119936.db2.gz HGMNHSSAGBVOLF-UMVBOHGHSA-N 0 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841137964 /nfs/dbraw/zinc/13/79/64/841137964.db2.gz ACTSWSXWMKRXLU-ZIAGYGMSSA-N 0 3 351.451 -0.123 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nn(CC)nc2C)C[C@H]1O ZINC001194258220 841137928 /nfs/dbraw/zinc/13/79/28/841137928.db2.gz FIKFHFLGRUSEBC-HUUCEWRRSA-N 0 3 352.483 -0.002 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1O ZINC001194258229 841137590 /nfs/dbraw/zinc/13/75/90/841137590.db2.gz FNOQPJQRVILYPU-ZIAGYGMSSA-N 0 3 357.499 -0.414 20 0 FBADHN CCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001194259557 841138213 /nfs/dbraw/zinc/13/82/13/841138213.db2.gz YLEAUQBZALMATM-CHWSQXEVSA-N 0 3 353.471 -0.525 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O ZINC001194265010 841138138 /nfs/dbraw/zinc/13/81/38/841138138.db2.gz KKHRZDKSYODFBZ-CHWSQXEVSA-N 0 3 354.451 -0.973 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1O ZINC001194265069 841137542 /nfs/dbraw/zinc/13/75/42/841137542.db2.gz MGNGFNKANDGAJU-BFHYXJOUSA-N 0 3 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841203390 /nfs/dbraw/zinc/20/33/90/841203390.db2.gz VXDUEAHVNVTUBF-NWANDNLSSA-N 0 3 370.475 -0.729 20 0 FBADHN CO[C@@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O)c1cnn(C)c1 ZINC001195030521 841212930 /nfs/dbraw/zinc/21/29/30/841212930.db2.gz RFMODPBPACEKET-BZUAXINKSA-N 0 3 352.435 -0.305 20 0 FBADHN CO[C@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O)c1cnn(C)c1 ZINC001195030522 841212629 /nfs/dbraw/zinc/21/26/29/841212629.db2.gz RFMODPBPACEKET-OAGGEKHMSA-N 0 3 352.435 -0.305 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001195128362 841221171 /nfs/dbraw/zinc/22/11/71/841221171.db2.gz HFCCFAHMIXYOTI-CHWSQXEVSA-N 0 3 354.407 -0.673 20 0 FBADHN O=C(CCn1ccnc1)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1O ZINC001195128391 841222931 /nfs/dbraw/zinc/22/29/31/841222931.db2.gz IKWLUBPFEXMDTQ-ARFHVFGLSA-N 0 3 352.435 -0.370 20 0 FBADHN O=C(CCn1ccnc1)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001195128392 841222517 /nfs/dbraw/zinc/22/25/17/841222517.db2.gz IKWLUBPFEXMDTQ-BZUAXINKSA-N 0 3 352.435 -0.370 20 0 FBADHN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@H]2O)c1C ZINC001195180887 841224023 /nfs/dbraw/zinc/22/40/23/841224023.db2.gz DRWDUVXKHRNUBA-LERXQTSPSA-N 0 3 352.435 -0.667 20 0 FBADHN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@H]2O)c1C ZINC001195180888 841223617 /nfs/dbraw/zinc/22/36/17/841223617.db2.gz DRWDUVXKHRNUBA-ZLKJLUDKSA-N 0 3 352.435 -0.667 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001195181319 841223446 /nfs/dbraw/zinc/22/34/46/841223446.db2.gz LMCLLKKSPQOFAW-ZIAGYGMSSA-N 0 3 352.435 -0.401 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001195181783 841223687 /nfs/dbraw/zinc/22/36/87/841223687.db2.gz NQDPJNQRSNCRLC-ZIAGYGMSSA-N 0 3 352.435 -0.401 20 0 FBADHN Cc1nn[n-]c1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195198146 841229066 /nfs/dbraw/zinc/22/90/66/841229066.db2.gz MZSKQJBVJJVYTM-NXEZZACHSA-N 0 3 351.329 -0.143 20 0 FBADHN Cc1nn[n-]c1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195198146 841229057 /nfs/dbraw/zinc/22/90/57/841229057.db2.gz MZSKQJBVJJVYTM-NXEZZACHSA-N 0 3 351.329 -0.143 20 0 FBADHN CC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195214066 841230185 /nfs/dbraw/zinc/23/01/85/841230185.db2.gz DLUYJUGHRSAHPC-ZIAGYGMSSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O)N1CCCC1 ZINC001195214221 841230114 /nfs/dbraw/zinc/23/01/14/841230114.db2.gz GPQFSRFDXVFCNW-HUUCEWRRSA-N 0 3 352.479 -0.452 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195214749 841230032 /nfs/dbraw/zinc/23/00/32/841230032.db2.gz MUEARKMJJNMSSQ-HUUCEWRRSA-N 0 3 354.495 -0.062 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195214894 841231383 /nfs/dbraw/zinc/23/13/83/841231383.db2.gz OYFQPFBRUAZVRM-HUUCEWRRSA-N 0 3 354.495 -0.206 20 0 FBADHN CC[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195215267 841231619 /nfs/dbraw/zinc/23/16/19/841231619.db2.gz SRNGJALOLYJAAO-RBSFLKMASA-N 0 3 354.495 -0.063 20 0 FBADHN CC[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195215268 841230912 /nfs/dbraw/zinc/23/09/12/841230912.db2.gz SRNGJALOLYJAAO-RRFJBIMHSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O)N1CCCC1 ZINC001195215602 841230815 /nfs/dbraw/zinc/23/08/15/841230815.db2.gz UYXCHRQHXLYXHI-HUUCEWRRSA-N 0 3 352.479 -0.452 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195215610 841231330 /nfs/dbraw/zinc/23/13/30/841231330.db2.gz VHFQLOWRVRWUFT-HUUCEWRRSA-N 0 3 354.495 -0.110 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195215698 841230843 /nfs/dbraw/zinc/23/08/43/841230843.db2.gz YCGVHTHVPIPCCF-HUUCEWRRSA-N 0 3 354.495 -0.111 20 0 FBADHN CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195223332 841231733 /nfs/dbraw/zinc/23/17/33/841231733.db2.gz XWXWAGZVSUBENW-RBSFLKMASA-N 0 3 354.495 -0.063 20 0 FBADHN CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001195223333 841231475 /nfs/dbraw/zinc/23/14/75/841231475.db2.gz XWXWAGZVSUBENW-RRFJBIMHSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O)N1CCCC1 ZINC001195223351 841230865 /nfs/dbraw/zinc/23/08/65/841230865.db2.gz YJXFKRSURWHGSR-ZIAGYGMSSA-N 0 3 361.508 -0.543 20 0 FBADHN Cn1c(=O)[nH]cc1C(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001195270522 841233704 /nfs/dbraw/zinc/23/37/04/841233704.db2.gz FTSIHJGTNXDFEV-MWLCHTKSSA-N 0 3 366.340 -0.130 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O)[C@H]1CCNC1=O ZINC001195271096 841235090 /nfs/dbraw/zinc/23/50/90/841235090.db2.gz KUEUXDHKLDEQGF-ARFHVFGLSA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001195271099 841234433 /nfs/dbraw/zinc/23/44/33/841234433.db2.gz KUEUXDHKLDEQGF-BZUAXINKSA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O)[C@@H]1CCNC1=O ZINC001195272664 841235024 /nfs/dbraw/zinc/23/50/24/841235024.db2.gz XLSDGNQNJOEZEL-GMTAPVOTSA-N 0 3 353.341 -0.747 20 0 FBADHN O=C(N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O)[C@H]1CCNC1=O ZINC001195272665 841235324 /nfs/dbraw/zinc/23/53/24/841235324.db2.gz XLSDGNQNJOEZEL-HBNTYKKESA-N 0 3 353.341 -0.747 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001195293605 841236792 /nfs/dbraw/zinc/23/67/92/841236792.db2.gz AOJWQULMEURUAQ-BFHYXJOUSA-N 0 3 352.439 -0.879 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001195293606 841236166 /nfs/dbraw/zinc/23/61/66/841236166.db2.gz AOJWQULMEURUAQ-MGPQQGTHSA-N 0 3 352.439 -0.879 20 0 FBADHN CNC(=O)[C@H]1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001195305234 841239154 /nfs/dbraw/zinc/23/91/54/841239154.db2.gz BHRGVDDKDSOJCC-HNNXBMFYSA-N 0 3 350.463 -0.085 20 0 FBADHN CNC(=O)[C@@H]1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001195305236 841238424 /nfs/dbraw/zinc/23/84/24/841238424.db2.gz BHRGVDDKDSOJCC-OAHLLOKOSA-N 0 3 350.463 -0.085 20 0 FBADHN CC(=O)N[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001195306371 841238727 /nfs/dbraw/zinc/23/87/27/841238727.db2.gz JYJLHXXCCKYTHQ-CYBMUJFWSA-N 0 3 354.432 -0.127 20 0 FBADHN CC(=O)N[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001195306372 841239132 /nfs/dbraw/zinc/23/91/32/841239132.db2.gz JYJLHXXCCKYTHQ-ZDUSSCGKSA-N 0 3 354.432 -0.127 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1=O ZINC001195453764 841245695 /nfs/dbraw/zinc/24/56/95/841245695.db2.gz ZHOQOESPNXIKFQ-IJLUTSLNSA-N 0 3 367.368 -0.405 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1=O ZINC001195453765 841245729 /nfs/dbraw/zinc/24/57/29/841245729.db2.gz ZHOQOESPNXIKFQ-QJPTWQEYSA-N 0 3 367.368 -0.405 20 0 FBADHN CCN1CCN(C2CN(S(=O)(=O)c3c[nH]c4ncncc34)C2)CC1 ZINC001195456150 841245891 /nfs/dbraw/zinc/24/58/91/841245891.db2.gz XVCYTWRZOXCJDD-UHFFFAOYSA-N 0 3 350.448 -0.080 20 0 FBADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001195511708 841252460 /nfs/dbraw/zinc/25/24/60/841252460.db2.gz GHWXUWIEMFGCHM-OLZOCXBDSA-N 0 3 353.510 -0.519 20 0 FBADHN CCOC(=O)CNC(=S)N1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001195537172 841255671 /nfs/dbraw/zinc/25/56/71/841255671.db2.gz CTHFGIMNDDJYSV-UHFFFAOYSA-N 0 3 367.475 -0.052 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001195573989 841258074 /nfs/dbraw/zinc/25/80/74/841258074.db2.gz YPLVCPZSEGIMCP-BRWVUGGUSA-N 0 3 355.479 -0.172 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001195573991 841258807 /nfs/dbraw/zinc/25/88/07/841258807.db2.gz YPLVCPZSEGIMCP-IXDOHACOSA-N 0 3 355.479 -0.172 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2O)C1 ZINC001195594010 841260913 /nfs/dbraw/zinc/26/09/13/841260913.db2.gz DKKLBBJKWPAGMI-BRWVUGGUSA-N 0 3 355.479 -0.317 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2O)C1 ZINC001195594011 841260703 /nfs/dbraw/zinc/26/07/03/841260703.db2.gz DKKLBBJKWPAGMI-ZACQAIPSSA-N 0 3 355.479 -0.317 20 0 FBADHN CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001195594517 841262602 /nfs/dbraw/zinc/26/26/02/841262602.db2.gz QOSRLCJFUIQRIS-BRWVUGGUSA-N 0 3 357.495 -0.071 20 0 FBADHN CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001195594522 841261919 /nfs/dbraw/zinc/26/19/19/841261919.db2.gz QOSRLCJFUIQRIS-ZACQAIPSSA-N 0 3 357.495 -0.071 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001195614823 841264498 /nfs/dbraw/zinc/26/44/98/841264498.db2.gz DWOZTHNUERINKJ-JGGQBBKZSA-N 0 3 351.451 -0.492 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001195614824 841264633 /nfs/dbraw/zinc/26/46/33/841264633.db2.gz DWOZTHNUERINKJ-XNRPHZJLSA-N 0 3 351.451 -0.492 20 0 FBADHN Cn1cc(OCC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)cn1 ZINC001195647411 841267716 /nfs/dbraw/zinc/26/77/16/841267716.db2.gz JMKYOKPEESTQQI-HZPDHXFCSA-N 0 3 352.435 -0.223 20 0 FBADHN Cn1cc(OCC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)cn1 ZINC001195648397 841267982 /nfs/dbraw/zinc/26/79/82/841267982.db2.gz TXQAAKLMIWRCHX-FVQBIDKESA-N 0 3 352.435 -0.081 20 0 FBADHN Cn1cc(OCC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)cn1 ZINC001195648398 841267496 /nfs/dbraw/zinc/26/74/96/841267496.db2.gz TXQAAKLMIWRCHX-NUEKZKHPSA-N 0 3 352.435 -0.081 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)COc3cnn(C)c3)C2)C1 ZINC001195648868 841267101 /nfs/dbraw/zinc/26/71/01/841267101.db2.gz WLLUTMFZIKXCRM-BCAXMMLOSA-N 0 3 352.435 -0.225 20 0 FBADHN Cn1cc(OCC(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)cn1 ZINC001195654519 841271652 /nfs/dbraw/zinc/27/16/52/841271652.db2.gz UMOLDSOBVQYEEY-FVQBIDKESA-N 0 3 352.435 -0.223 20 0 FBADHN Cn1cc(OCC(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)cn1 ZINC001195654521 841271687 /nfs/dbraw/zinc/27/16/87/841271687.db2.gz UMOLDSOBVQYEEY-NUEKZKHPSA-N 0 3 352.435 -0.223 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1)C1CCC1 ZINC001195654562 841271032 /nfs/dbraw/zinc/27/10/32/841271032.db2.gz VKIOFQQFRDHSLV-BZUAXINKSA-N 0 3 352.435 -0.225 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1)C1CCC1 ZINC001195654563 841271744 /nfs/dbraw/zinc/27/17/44/841271744.db2.gz VKIOFQQFRDHSLV-OAGGEKHMSA-N 0 3 352.435 -0.225 20 0 FBADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1)C1CC1 ZINC001195654781 841272375 /nfs/dbraw/zinc/27/23/75/841272375.db2.gz ZSOBRFKPGDNHLY-BZUAXINKSA-N 0 3 352.435 -0.225 20 0 FBADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1)C1CC1 ZINC001195654782 841272633 /nfs/dbraw/zinc/27/26/33/841272633.db2.gz ZSOBRFKPGDNHLY-OAGGEKHMSA-N 0 3 352.435 -0.225 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195691099 841271379 /nfs/dbraw/zinc/27/13/79/841271379.db2.gz GNDDLUSRUQMNOK-RBSFLKMASA-N 0 3 354.451 -0.574 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195691100 841271716 /nfs/dbraw/zinc/27/17/16/841271716.db2.gz GNDDLUSRUQMNOK-RRFJBIMHSA-N 0 3 354.451 -0.574 20 0 FBADHN COc1ccc(S(=O)(=O)N2CCC(=O)N(CCN(C)C)CC2)cn1 ZINC001195706987 841275507 /nfs/dbraw/zinc/27/55/07/841275507.db2.gz YMAVSFULSGINHK-UHFFFAOYSA-N 0 3 356.448 -0.125 20 0 FBADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1)C1CC1 ZINC001195745979 841279760 /nfs/dbraw/zinc/27/97/60/841279760.db2.gz CDCUACFIHPOJKW-MCIONIFRSA-N 0 3 363.480 -0.969 20 0 FBADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1)C1CC1 ZINC001195745980 841278986 /nfs/dbraw/zinc/27/89/86/841278986.db2.gz CDCUACFIHPOJKW-MGPQQGTHSA-N 0 3 363.480 -0.969 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001195746123 841279555 /nfs/dbraw/zinc/27/95/55/841279555.db2.gz GGIMIONDXGXDAA-ZIAGYGMSSA-N 0 3 363.480 -0.967 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC001195746133 841279673 /nfs/dbraw/zinc/27/96/73/841279673.db2.gz GOQAQDYYUCVBMV-HUUCEWRRSA-N 0 3 355.460 -0.541 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1)C1CCC1 ZINC001195746245 841279896 /nfs/dbraw/zinc/27/98/96/841279896.db2.gz IFJIEBRTKGMCHT-MCIONIFRSA-N 0 3 363.480 -0.969 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1)C1CCC1 ZINC001195746248 841278718 /nfs/dbraw/zinc/27/87/18/841278718.db2.gz IFJIEBRTKGMCHT-MGPQQGTHSA-N 0 3 363.480 -0.969 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001195746295 841278921 /nfs/dbraw/zinc/27/89/21/841278921.db2.gz JRGIUKALEVMHHL-BFHYXJOUSA-N 0 3 363.480 -0.967 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001195746296 841279866 /nfs/dbraw/zinc/27/98/66/841279866.db2.gz JRGIUKALEVMHHL-MGPQQGTHSA-N 0 3 363.480 -0.967 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195746606 841279131 /nfs/dbraw/zinc/27/91/31/841279131.db2.gz MOJJHKVDERNKTC-CHWSQXEVSA-N 0 3 351.469 -0.967 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001195746682 841279159 /nfs/dbraw/zinc/27/91/59/841279159.db2.gz NXCCHYREVWSBCC-IJLUTSLNSA-N 0 3 369.434 -0.348 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001195746684 841279982 /nfs/dbraw/zinc/27/99/82/841279982.db2.gz NXCCHYREVWSBCC-QJPTWQEYSA-N 0 3 369.434 -0.348 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001195747131 841279938 /nfs/dbraw/zinc/27/99/38/841279938.db2.gz PXNDJBYKMWXQPF-BFHYXJOUSA-N 0 3 363.480 -0.824 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC001195747133 841280071 /nfs/dbraw/zinc/28/00/71/841280071.db2.gz PXNDJBYKMWXQPF-MGPQQGTHSA-N 0 3 363.480 -0.824 20 0 FBADHN Cc1ccc(CCN2C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C2)cc1 ZINC001195747457 841278758 /nfs/dbraw/zinc/27/87/58/841278758.db2.gz TVZRJZAHUAJNFG-HZPDHXFCSA-N 0 3 369.487 -0.232 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H]1O ZINC001195747469 841279783 /nfs/dbraw/zinc/27/97/83/841279783.db2.gz UGNYJIRMQKEEHB-BZUAXINKSA-N 0 3 367.471 -0.096 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H]1O ZINC001195747470 841279842 /nfs/dbraw/zinc/27/98/42/841279842.db2.gz UGNYJIRMQKEEHB-OWCLPIDISA-N 0 3 367.471 -0.096 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C2)C1 ZINC001195747510 841279397 /nfs/dbraw/zinc/27/93/97/841279397.db2.gz WAYWMZDXDWMGCL-NWINJMCUSA-N 0 3 363.480 -0.969 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001195754129 841277405 /nfs/dbraw/zinc/27/74/05/841277405.db2.gz YSBBXZZBUXKGEO-HZPDHXFCSA-N 0 3 369.487 -0.151 20 0 FBADHN O=c1ccn(CCCNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c(=O)[nH]1 ZINC001195786828 841282682 /nfs/dbraw/zinc/28/26/82/841282682.db2.gz FRWYCHPXBNTNKF-HNNXBMFYSA-N 0 3 356.448 -0.256 20 0 FBADHN CN1CC(C(=O)N[C@@H]2CN(C[C@H](O)CC(F)(F)F)C[C@H]2O)=NC1=O ZINC001195841674 841287671 /nfs/dbraw/zinc/28/76/71/841287671.db2.gz AEBICRUFJQQEEQ-NQMVMOMDSA-N 0 3 352.313 -0.786 20 0 FBADHN CN1CC(C(=O)N[C@@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@H]2O)=NC1=O ZINC001195841675 841287169 /nfs/dbraw/zinc/28/71/69/841287169.db2.gz AEBICRUFJQQEEQ-QXFUBDJGSA-N 0 3 352.313 -0.786 20 0 FBADHN CCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C1 ZINC001195841683 841287848 /nfs/dbraw/zinc/28/78/48/841287848.db2.gz ASVFLHMKJAHAMT-ARFHVFGLSA-N 0 3 351.451 -0.192 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)[nH]c1=O ZINC001195869828 841288641 /nfs/dbraw/zinc/28/86/41/841288641.db2.gz DKBUMXXGXXOIAO-MWLCHTKSSA-N 0 3 366.340 -0.130 20 0 FBADHN CN1CC(C(=O)N[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]2O)=NC1=O ZINC001195870032 841290466 /nfs/dbraw/zinc/29/04/66/841290466.db2.gz HKJWIPDFBFOLBN-OUCADQQQSA-N 0 3 354.407 -0.904 20 0 FBADHN CN1CC(C(=O)N[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@H]2O)=NC1=O ZINC001195870033 841290973 /nfs/dbraw/zinc/29/09/73/841290973.db2.gz HKJWIPDFBFOLBN-YRGRVCCFSA-N 0 3 354.407 -0.904 20 0 FBADHN CS(=O)(=O)N1CC(CS(=O)(=O)NC[C@@H]2CN3CCC2CC3)C1 ZINC001195928640 841294670 /nfs/dbraw/zinc/29/46/70/841294670.db2.gz KCNYHSOCPQOMTO-CYBMUJFWSA-N 0 3 351.494 -0.861 20 0 FBADHN CS(=O)(=O)N1CC(CS(=O)(=O)NC[C@H]2CN3CCC2CC3)C1 ZINC001195928641 841294827 /nfs/dbraw/zinc/29/48/27/841294827.db2.gz KCNYHSOCPQOMTO-ZDUSSCGKSA-N 0 3 351.494 -0.861 20 0 FBADHN CC(C)(C)NC(=O)NCCN1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001195932038 841294923 /nfs/dbraw/zinc/29/49/23/841294923.db2.gz FXHNCDRMBHYLCK-GHMZBOCLSA-N 0 3 356.402 -0.579 20 0 FBADHN CC(C)N(C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2F)C1)C(C)C ZINC001195932989 841295755 /nfs/dbraw/zinc/29/57/55/841295755.db2.gz ZSXOKWMAWQFNIJ-CHWSQXEVSA-N 0 3 355.414 -0.031 20 0 FBADHN CCOC(=O)CS(=O)(=O)N1CC[C@@H]2CN(CCOC)CCO[C@@H]2C1 ZINC001195950828 841300669 /nfs/dbraw/zinc/30/06/69/841300669.db2.gz ODOUGSWMSLDCOY-ZIAGYGMSSA-N 0 3 364.464 -0.452 20 0 FBADHN CCOC(=O)CS(=O)(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001195951420 841301123 /nfs/dbraw/zinc/30/11/23/841301123.db2.gz NSWSSAOSKQNWGU-UHFFFAOYSA-N 0 3 372.447 -0.597 20 0 FBADHN CCOC(=O)CS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001195952044 841302055 /nfs/dbraw/zinc/30/20/55/841302055.db2.gz VOCXUSOEKBAQJH-RDBSUJKOSA-N 0 3 371.463 -0.434 20 0 FBADHN CCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001195972392 841297477 /nfs/dbraw/zinc/29/74/77/841297477.db2.gz CBKXDQIWLUVVEE-IIAWOOMASA-N 0 3 352.483 -0.146 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1O)N(C)C ZINC001195972399 841297622 /nfs/dbraw/zinc/29/76/22/841297622.db2.gz CNLATWYSWYSFJG-BFYDXBDKSA-N 0 3 354.495 -0.350 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1O)N(C)C ZINC001195972618 841297459 /nfs/dbraw/zinc/29/74/59/841297459.db2.gz GZLIUSHDBDPNSH-UMVBOHGHSA-N 0 3 356.446 -0.505 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O)N(C)C ZINC001195972915 841297058 /nfs/dbraw/zinc/29/70/58/841297058.db2.gz LVYYWDVUXKGAAF-BFYDXBDKSA-N 0 3 354.495 -0.254 20 0 FBADHN CCCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001195972978 841296911 /nfs/dbraw/zinc/29/69/11/841296911.db2.gz NDWJYZDNNIPPSM-IIAWOOMASA-N 0 3 352.483 -0.064 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@H]1O)N(C)C ZINC001195973168 841297566 /nfs/dbraw/zinc/29/75/66/841297566.db2.gz OXULUGKPRVKFMK-UMVBOHGHSA-N 0 3 353.471 -0.499 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O)N(C)C ZINC001195973177 841297131 /nfs/dbraw/zinc/29/71/31/841297131.db2.gz PJDUUXRKVJOTPJ-NQBHXWOUSA-N 0 3 368.400 -0.588 20 0 FBADHN CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)n1C ZINC001195973197 841297522 /nfs/dbraw/zinc/29/75/22/841297522.db2.gz QBELMTUEAMHWLK-XJKCOSOUSA-N 0 3 352.483 -0.375 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1O)N(C)C ZINC001195973252 841297151 /nfs/dbraw/zinc/29/71/51/841297151.db2.gz SIHRGGUGJUHIKG-UMVBOHGHSA-N 0 3 351.455 -0.745 20 0 FBADHN COCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)n1 ZINC001195973446 841297203 /nfs/dbraw/zinc/29/72/03/841297203.db2.gz SMLMVNUNVAKFII-LALPHHSUSA-N 0 3 355.439 -0.537 20 0 FBADHN COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)nn1 ZINC001195973454 841297009 /nfs/dbraw/zinc/29/70/09/841297009.db2.gz SPUHMZWBMDQNII-IIAWOOMASA-N 0 3 351.451 -0.267 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1O)N(C)C ZINC001195973464 841297234 /nfs/dbraw/zinc/29/72/34/841297234.db2.gz SXXUMTHKOQNNCQ-YRGRVCCFSA-N 0 3 370.523 -0.148 20 0 FBADHN CCn1nnc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001195973484 841297439 /nfs/dbraw/zinc/29/74/39/841297439.db2.gz UMIBCYHVBRQXNA-FVQBIDKESA-N 0 3 352.483 -0.146 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1O)N(C)C ZINC001195973486 841297170 /nfs/dbraw/zinc/29/71/70/841297170.db2.gz UPVXMIAYMJJIEA-BFYDXBDKSA-N 0 3 354.495 -0.398 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O)N(C)C ZINC001195973497 841297352 /nfs/dbraw/zinc/29/73/52/841297352.db2.gz VDNXYOKKYXTTNQ-YRGRVCCFSA-N 0 3 369.491 -0.171 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1O)N(C)C ZINC001195973671 841297287 /nfs/dbraw/zinc/29/72/87/841297287.db2.gz XTLRUGDUKMDJPJ-YRGRVCCFSA-N 0 3 354.455 -0.617 20 0 FBADHN COc1nccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)n1 ZINC001195973715 841297305 /nfs/dbraw/zinc/29/73/05/841297305.db2.gz ZAJPHFHMWVMONL-RBSFLKMASA-N 0 3 351.451 -0.267 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)n1 ZINC001195980626 841298418 /nfs/dbraw/zinc/29/84/18/841298418.db2.gz ATNNLJFBPDTTJA-BZUAXINKSA-N 0 3 352.483 -0.358 20 0 FBADHN CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001195980670 841298957 /nfs/dbraw/zinc/29/89/57/841298957.db2.gz BYOOLHUBXGYYBE-RBSFLKMASA-N 0 3 363.524 -0.441 20 0 FBADHN CCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001195980725 841298556 /nfs/dbraw/zinc/29/85/56/841298556.db2.gz DALJLOOWQPMLGY-UMVBOHGHSA-N 0 3 353.471 -0.669 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1O)N(C)C ZINC001195980753 841298213 /nfs/dbraw/zinc/29/82/13/841298213.db2.gz FEAMMYNIXQCPSX-LALPHHSUSA-N 0 3 353.423 -0.639 20 0 FBADHN CCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)n1 ZINC001195980812 841298311 /nfs/dbraw/zinc/29/83/11/841298311.db2.gz GGWZDEWYIXLSQZ-BZUAXINKSA-N 0 3 352.483 -0.146 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1O)N(C)C ZINC001195980826 841298106 /nfs/dbraw/zinc/29/81/06/841298106.db2.gz GTYJVKKKWKPXPM-NQBHXWOUSA-N 0 3 370.479 -0.776 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1O)N(C)C ZINC001195980867 841297894 /nfs/dbraw/zinc/29/78/94/841297894.db2.gz IQTUOXMNZSEWTG-IIAWOOMASA-N 0 3 356.511 -0.104 20 0 FBADHN CC(C)NC(=O)NCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001195981043 841298018 /nfs/dbraw/zinc/29/80/18/841298018.db2.gz MBRUTWTVGJNCTQ-RBSFLKMASA-N 0 3 357.499 -0.559 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)[n-]2)C[C@H]1O)[NH+](C)C ZINC001195981082 841298755 /nfs/dbraw/zinc/29/87/55/841298755.db2.gz OGSQUFUWKKXXPM-UMVBOHGHSA-N 0 3 350.467 -0.070 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001195981227 841298707 /nfs/dbraw/zinc/29/87/07/841298707.db2.gz PQYLSXUHIDPQIZ-RBSFLKMASA-N 0 3 370.519 -0.034 20 0 FBADHN CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1)C1CC1 ZINC001195981253 841298649 /nfs/dbraw/zinc/29/86/49/841298649.db2.gz QUTVTXRYKJVBDI-BFYDXBDKSA-N 0 3 354.495 -0.255 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1O)N(C)C ZINC001195981276 841298350 /nfs/dbraw/zinc/29/83/50/841298350.db2.gz RWFINEXPJYRJFU-BFYDXBDKSA-N 0 3 354.495 -0.207 20 0 FBADHN COc1cncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)n1 ZINC001195981577 841298850 /nfs/dbraw/zinc/29/88/50/841298850.db2.gz WCZVPIFPESOKCL-IIAWOOMASA-N 0 3 351.451 -0.267 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O)N(C)C ZINC001195981580 841297958 /nfs/dbraw/zinc/29/79/58/841297958.db2.gz WGCGPJDBCUUQKG-BFYDXBDKSA-N 0 3 354.495 -0.254 20 0 FBADHN COC[C@H](OC)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001196031439 841309672 /nfs/dbraw/zinc/30/96/72/841309672.db2.gz WCNDGRZQSXCJMF-KFWWJZLASA-N 0 3 355.439 -0.729 20 0 FBADHN COC[C@@H](OC)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001196031440 841310133 /nfs/dbraw/zinc/31/01/33/841310133.db2.gz WCNDGRZQSXCJMF-RBSFLKMASA-N 0 3 355.439 -0.729 20 0 FBADHN CS(=O)(=O)N1CCC(NC(=O)CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC001196083428 841313233 /nfs/dbraw/zinc/31/32/33/841313233.db2.gz NIDWYYZFLQEJNT-VNHYZAJKSA-N 0 3 359.492 -0.381 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001196145963 841317125 /nfs/dbraw/zinc/31/71/25/841317125.db2.gz QBOSLKGTSKFPIC-TUVASFSCSA-N 0 3 357.451 -0.790 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001196175941 841323773 /nfs/dbraw/zinc/32/37/73/841323773.db2.gz HOAOLVUWUDKQPU-TZMCWYRMSA-N 0 3 352.435 -0.666 20 0 FBADHN CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001196176572 841325222 /nfs/dbraw/zinc/32/52/22/841325222.db2.gz MKKUBFFJBCHKOH-PBFPGSCMSA-N 0 3 358.458 -0.504 20 0 FBADHN CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001196176574 841325039 /nfs/dbraw/zinc/32/50/39/841325039.db2.gz MKKUBFFJBCHKOH-XNJGSVPQSA-N 0 3 358.458 -0.504 20 0 FBADHN CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)C1 ZINC001196177055 841323927 /nfs/dbraw/zinc/32/39/27/841323927.db2.gz RLQDQMNZOMBYCV-CKEIUWERSA-N 0 3 361.458 -0.631 20 0 FBADHN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)C1 ZINC001196177056 841325184 /nfs/dbraw/zinc/32/51/84/841325184.db2.gz RLQDQMNZOMBYCV-CPUCHLNUSA-N 0 3 361.458 -0.631 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O ZINC001196185041 841319276 /nfs/dbraw/zinc/31/92/76/841319276.db2.gz NFSYXFLEDGBIAH-QKPAOTATSA-N 0 3 353.463 -0.134 20 0 FBADHN CCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196199090 841325609 /nfs/dbraw/zinc/32/56/09/841325609.db2.gz BAAHRUWXPFEHRZ-ZIAGYGMSSA-N 0 3 352.483 -0.063 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196199097 841326441 /nfs/dbraw/zinc/32/64/41/841326441.db2.gz BESXIDTUNJOKGL-HUUCEWRRSA-N 0 3 356.511 -0.006 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O)CC(C)(C)C ZINC001196199827 841327074 /nfs/dbraw/zinc/32/70/74/841327074.db2.gz NEZHKGJQKPOYJH-HUUCEWRRSA-N 0 3 354.495 -0.254 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O)CC(C)(C)C ZINC001196199865 841325653 /nfs/dbraw/zinc/32/56/53/841325653.db2.gz NXSDZOSTKIWHQX-HUUCEWRRSA-N 0 3 354.495 -0.348 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O)CC(C)(C)C ZINC001196199874 841325564 /nfs/dbraw/zinc/32/55/64/841325564.db2.gz OKAAADSGRDYNNX-HUUCEWRRSA-N 0 3 354.495 -0.252 20 0 FBADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1)C1CC1 ZINC001196200108 841325689 /nfs/dbraw/zinc/32/56/89/841325689.db2.gz RMIMYFXHVQTEPG-KFWWJZLASA-N 0 3 350.419 -0.296 20 0 FBADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1)C1CC1 ZINC001196200109 841326308 /nfs/dbraw/zinc/32/63/08/841326308.db2.gz RMIMYFXHVQTEPG-RBSFLKMASA-N 0 3 350.419 -0.296 20 0 FBADHN CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C2)n1 ZINC001196200244 841326273 /nfs/dbraw/zinc/32/62/73/841326273.db2.gz TVNKDCCPZRGMHR-HUUCEWRRSA-N 0 3 352.483 -0.063 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196200267 841326992 /nfs/dbraw/zinc/32/69/92/841326992.db2.gz UAVMBRNWRVGASM-HUUCEWRRSA-N 0 3 356.511 -0.008 20 0 FBADHN CCn1nncc1CN1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196200318 841326900 /nfs/dbraw/zinc/32/69/00/841326900.db2.gz UZPZFUMICNKLLN-HUUCEWRRSA-N 0 3 352.483 -0.063 20 0 FBADHN CN(CC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O)CC(C)(C)C ZINC001196206844 841328762 /nfs/dbraw/zinc/32/87/62/841328762.db2.gz HUYCXVYVMXLIBP-QLFBSQMISA-N 0 3 354.495 -0.254 20 0 FBADHN CN(CC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O)CC(C)(C)C ZINC001196206846 841328889 /nfs/dbraw/zinc/32/88/89/841328889.db2.gz HUYCXVYVMXLIBP-RBSFLKMASA-N 0 3 354.495 -0.254 20 0 FBADHN C[C@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196207127 841328180 /nfs/dbraw/zinc/32/81/80/841328180.db2.gz JWEFMTTYJQOQDZ-JHJVBQTASA-N 0 3 353.471 -0.590 20 0 FBADHN C[C@@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196207128 841327724 /nfs/dbraw/zinc/32/77/24/841327724.db2.gz JWEFMTTYJQOQDZ-YNEHKIRRSA-N 0 3 353.471 -0.590 20 0 FBADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1)C1CC1 ZINC001196207149 841328501 /nfs/dbraw/zinc/32/85/01/841328501.db2.gz KZHWLVDKSKHQDV-BZUAXINKSA-N 0 3 351.451 -0.276 20 0 FBADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1)C1CC1 ZINC001196207150 841329052 /nfs/dbraw/zinc/32/90/52/841329052.db2.gz KZHWLVDKSKHQDV-OAGGEKHMSA-N 0 3 351.451 -0.276 20 0 FBADHN CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C2)C1=O ZINC001196207171 841328044 /nfs/dbraw/zinc/32/80/44/841328044.db2.gz LULBUSXKQMNKHM-QLFBSQMISA-N 0 3 354.495 -0.254 20 0 FBADHN CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C2)C1=O ZINC001196207173 841328322 /nfs/dbraw/zinc/32/83/22/841328322.db2.gz LULBUSXKQMNKHM-RBSFLKMASA-N 0 3 354.495 -0.254 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)no2)C[C@H]1O)N(C)C ZINC001196207271 841328990 /nfs/dbraw/zinc/32/89/90/841328990.db2.gz MXEBBTQXPLELMM-FRRDWIJNSA-N 0 3 353.423 -0.577 20 0 FBADHN Cn1ncc(CCC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)n1 ZINC001196207544 841327939 /nfs/dbraw/zinc/32/79/39/841327939.db2.gz OZVBWPGYXWRTTB-ARFHVFGLSA-N 0 3 351.451 -0.132 20 0 FBADHN Cn1ncc(CCC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)n1 ZINC001196207545 841327786 /nfs/dbraw/zinc/32/77/86/841327786.db2.gz OZVBWPGYXWRTTB-BZUAXINKSA-N 0 3 351.451 -0.132 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1O)N(C)C ZINC001196207555 841327756 /nfs/dbraw/zinc/32/77/56/841327756.db2.gz PJLGNBVGJFLVMG-OWCLPIDISA-N 0 3 354.495 -0.063 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1O)N(C)C ZINC001196207610 841328270 /nfs/dbraw/zinc/32/82/70/841328270.db2.gz RTKQUOYNDWNGDO-HZSPNIEDSA-N 0 3 350.467 -0.306 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1O)N(C)C ZINC001196207648 841328811 /nfs/dbraw/zinc/32/88/11/841328811.db2.gz SNFREPKJSYRPGN-OWCLPIDISA-N 0 3 354.495 -0.254 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O)CC(C)(C)C ZINC001196207770 841328387 /nfs/dbraw/zinc/32/83/87/841328387.db2.gz SYDDFJMSGKEHTA-ZIAGYGMSSA-N 0 3 355.483 -0.849 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1)C1CCC1 ZINC001196208022 841328137 /nfs/dbraw/zinc/32/81/37/841328137.db2.gz XDEBQRRSPQOISZ-BZUAXINKSA-N 0 3 351.451 -0.276 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1)C1CCC1 ZINC001196208023 841328431 /nfs/dbraw/zinc/32/84/31/841328431.db2.gz XDEBQRRSPQOISZ-OAGGEKHMSA-N 0 3 351.451 -0.276 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O)N(C)C ZINC001196208157 841328473 /nfs/dbraw/zinc/32/84/73/841328473.db2.gz ZBBOTPYZMIWKRH-OUAUKWLOSA-N 0 3 354.373 -0.834 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@H]1O)N(C)C ZINC001196208171 841328970 /nfs/dbraw/zinc/32/89/70/841328970.db2.gz ZLUXYGIZIAFMAL-FRRDWIJNSA-N 0 3 355.439 -0.740 20 0 FBADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196222160 841332083 /nfs/dbraw/zinc/33/20/83/841332083.db2.gz HVJIHADTDUYLDM-BPLDGKMQSA-N 0 3 354.495 -0.207 20 0 FBADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196222161 841330930 /nfs/dbraw/zinc/33/09/30/841330930.db2.gz HVJIHADTDUYLDM-NWANDNLSSA-N 0 3 354.495 -0.207 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O)CC(C)(C)C ZINC001196222214 841331273 /nfs/dbraw/zinc/33/12/73/841331273.db2.gz JWKIYSDUPOTZEI-HUUCEWRRSA-N 0 3 354.495 -0.348 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O)CC(C)(C)C ZINC001196222419 841332010 /nfs/dbraw/zinc/33/20/10/841332010.db2.gz NYDHWEUJWCRIIH-ZIAGYGMSSA-N 0 3 363.524 -0.440 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 ZINC001196222659 841331539 /nfs/dbraw/zinc/33/15/39/841331539.db2.gz WJRHABBVXQHAGF-GDBMZVCRSA-N 0 3 351.451 -0.255 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001196222662 841332107 /nfs/dbraw/zinc/33/21/07/841332107.db2.gz WPOFDFWXCSAJPG-HUUCEWRRSA-N 0 3 356.511 -0.102 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O)CC(C)(C)C ZINC001196222730 841332241 /nfs/dbraw/zinc/33/22/41/841332241.db2.gz YQPVEEMOSXKTCI-HUUCEWRRSA-N 0 3 354.495 -0.252 20 0 FBADHN CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C2)nn1 ZINC001196222751 841331412 /nfs/dbraw/zinc/33/14/12/841331412.db2.gz ZLFMWCBCUOOUNX-HUUCEWRRSA-N 0 3 352.483 -0.063 20 0 FBADHN Cn1ncc(CCC(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001196234144 841335447 /nfs/dbraw/zinc/33/54/47/841335447.db2.gz AMWQIUJNYHUPIX-FVQBIDKESA-N 0 3 351.451 -0.274 20 0 FBADHN Cn1ncc(CCC(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)n1 ZINC001196234147 841334391 /nfs/dbraw/zinc/33/43/91/841334391.db2.gz AMWQIUJNYHUPIX-NUEKZKHPSA-N 0 3 351.451 -0.274 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CCc3cnn(C)n3)C2)C1 ZINC001196235531 841336108 /nfs/dbraw/zinc/33/61/08/841336108.db2.gz XQEFWUZQWHGKFC-AHNOJICISA-N 0 3 351.451 -0.276 20 0 FBADHN Cn1ncc(CCC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)n1 ZINC001196235685 841336789 /nfs/dbraw/zinc/33/67/89/841336789.db2.gz ZQUYECVBXCQSOH-HZPDHXFCSA-N 0 3 351.451 -0.274 20 0 FBADHN CCOc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C2)s1 ZINC001196258508 841332951 /nfs/dbraw/zinc/33/29/51/841332951.db2.gz CNWUWMNCLWUAEB-GRYCIOLGSA-N 0 3 357.480 -0.062 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1O)N(C)C ZINC001196267534 841334963 /nfs/dbraw/zinc/33/49/63/841334963.db2.gz ACLCFZSIJRJUKY-HZSPNIEDSA-N 0 3 350.467 -0.306 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@H]1O)N(C)C ZINC001196267540 841334299 /nfs/dbraw/zinc/33/42/99/841334299.db2.gz AOPSBACKWUURFH-FRRDWIJNSA-N 0 3 355.439 -0.740 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@H]1O)N(C)C ZINC001196267545 841334836 /nfs/dbraw/zinc/33/48/36/841334836.db2.gz AWYVUTURPLKCPI-GRYCIOLGSA-N 0 3 370.479 -0.713 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O)N(C)C ZINC001196267549 841334477 /nfs/dbraw/zinc/33/44/77/841334477.db2.gz BAGOTTWDUJIMEG-HZSPNIEDSA-N 0 3 357.499 -0.414 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O)N(C)C ZINC001196267584 841334201 /nfs/dbraw/zinc/33/42/01/841334201.db2.gz CTSSIRNVAYOYCY-OWCLPIDISA-N 0 3 350.467 -0.310 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnc(C)n2C2CC2)C[C@H]1O)N(C)C ZINC001196267601 841334986 /nfs/dbraw/zinc/33/49/86/841334986.db2.gz DWBFFBCMCATQBD-QLFBSQMISA-N 0 3 350.467 -0.077 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@H]1O)N(C)C ZINC001196267828 841335103 /nfs/dbraw/zinc/33/51/03/841335103.db2.gz GTZSHFMEEXSZLL-QLFBSQMISA-N 0 3 352.483 -0.064 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1O)N(C)C ZINC001196267904 841335616 /nfs/dbraw/zinc/33/56/16/841335616.db2.gz JFDNBCRJFZTLTI-HZSPNIEDSA-N 0 3 361.508 -0.687 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1O)N(C)C ZINC001196267934 841335707 /nfs/dbraw/zinc/33/57/07/841335707.db2.gz LKKPCRIWOYLVNW-GRYCIOLGSA-N 0 3 356.496 -0.394 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nc(C)cs2)C[C@H]1O)N(C)C ZINC001196268020 841334525 /nfs/dbraw/zinc/33/45/25/841334525.db2.gz NZUTZIXHNNYBOQ-FRRDWIJNSA-N 0 3 369.491 -0.108 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1O)N(C)C ZINC001196268031 841335530 /nfs/dbraw/zinc/33/55/30/841335530.db2.gz OCQVOMCDAKNLCK-QLFBSQMISA-N 0 3 352.435 -0.603 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O)N(C)C ZINC001196268073 841334252 /nfs/dbraw/zinc/33/42/52/841334252.db2.gz OSACKEAYBFWRDH-GRYCIOLGSA-N 0 3 355.464 -0.417 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)on2)C[C@H]1O)N(C)C ZINC001196268145 841334937 /nfs/dbraw/zinc/33/49/37/841334937.db2.gz PJRDJOWYQDTKHF-FRRDWIJNSA-N 0 3 353.423 -0.577 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O)N(C)C ZINC001196268209 841334801 /nfs/dbraw/zinc/33/48/01/841334801.db2.gz QEISCVZGPSBLGG-HZSPNIEDSA-N 0 3 350.467 -0.384 20 0 FBADHN CCCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001196268338 841334882 /nfs/dbraw/zinc/33/48/82/841334882.db2.gz RXPPWNSIIJRFFN-QLFBSQMISA-N 0 3 352.483 -0.002 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnc(C(C)C)n2C)C[C@H]1O)N(C)C ZINC001196268388 841335553 /nfs/dbraw/zinc/33/55/53/841335553.db2.gz SOOUGGDSXWLDAC-HZSPNIEDSA-N 0 3 352.483 -0.060 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1O)N(C)C ZINC001196268493 841334782 /nfs/dbraw/zinc/33/47/82/841334782.db2.gz VKFOORDTIXRAOJ-FRRDWIJNSA-N 0 3 353.471 -0.570 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2cnc(OC)nc2C)C[C@H]1O)N(C)C ZINC001196268600 841335682 /nfs/dbraw/zinc/33/56/82/841335682.db2.gz WPCZLMXUAMDSLT-QLFBSQMISA-N 0 3 351.451 -0.205 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@H]1O)N(C)C ZINC001196268625 841333990 /nfs/dbraw/zinc/33/39/90/841333990.db2.gz XSNVQLRGUKMYKN-GRYCIOLGSA-N 0 3 360.409 -0.455 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O)N(C)C ZINC001196268640 841334346 /nfs/dbraw/zinc/33/43/46/841334346.db2.gz YIEVPSQGNHZOJN-QLFBSQMISA-N 0 3 361.508 -0.687 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O)N(C)C ZINC001196268711 841335057 /nfs/dbraw/zinc/33/50/57/841335057.db2.gz ZJTMYPFIPUXUQV-OWCLPIDISA-N 0 3 354.495 -0.110 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1O)N(C)C ZINC001196275456 841338353 /nfs/dbraw/zinc/33/83/53/841338353.db2.gz BPTHPCIOXWPQHI-FRRDWIJNSA-N 0 3 369.491 -0.393 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2cc(=O)c(OC)co2)C[C@H]1O)N(C)C ZINC001196275938 841338292 /nfs/dbraw/zinc/33/82/92/841338292.db2.gz HGMNHSSAGBVOLF-VNHYZAJKSA-N 0 3 353.419 -0.350 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1O)N(C)C ZINC001196275955 841338373 /nfs/dbraw/zinc/33/83/73/841338373.db2.gz HJASABKTYOHLTA-FRRDWIJNSA-N 0 3 353.471 -0.570 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@H]1O)N(C)C ZINC001196276078 841338174 /nfs/dbraw/zinc/33/81/74/841338174.db2.gz JPIXPLDJPUFXHG-HZSPNIEDSA-N 0 3 356.492 -0.280 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@H]1O)N(C)C ZINC001196276327 841337475 /nfs/dbraw/zinc/33/74/75/841337475.db2.gz MUDXGANYBVDNET-QLFBSQMISA-N 0 3 363.524 -0.299 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCc2cccs2)C[C@H]1O)N(C)C ZINC001196276344 841338269 /nfs/dbraw/zinc/33/82/69/841338269.db2.gz NGFGYLRTYSQCPT-QLFBSQMISA-N 0 3 368.503 -0.134 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1O)N(C)C ZINC001196276700 841339024 /nfs/dbraw/zinc/33/90/24/841339024.db2.gz UCARXSJKMPGMBY-GRYCIOLGSA-N 0 3 368.400 -0.491 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001196276703 841340303 /nfs/dbraw/zinc/34/03/03/841340303.db2.gz ULHXIRHEDASYQY-HZSPNIEDSA-N 0 3 353.471 -0.525 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@H]1O)N(C)C ZINC001196276750 841339440 /nfs/dbraw/zinc/33/94/40/841339440.db2.gz WPHHCJDBWZADLI-QLFBSQMISA-N 0 3 352.435 -0.251 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001196284612 841340030 /nfs/dbraw/zinc/34/00/30/841340030.db2.gz WVIWXZNNHQTOSY-BFHYXJOUSA-N 0 3 352.439 -0.787 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001196284613 841340340 /nfs/dbraw/zinc/34/03/40/841340340.db2.gz WVIWXZNNHQTOSY-MGPQQGTHSA-N 0 3 352.439 -0.787 20 0 FBADHN Cc1nc(CCN2C[C@@H](O)[C@H](NC(=O)CCc3cnn[nH]3)C2)cs1 ZINC001196290162 841339914 /nfs/dbraw/zinc/33/99/14/841339914.db2.gz GIALCBWRPQMUIW-ZIAGYGMSSA-N 0 3 350.448 -0.094 20 0 FBADHN O=C(N[C@@H]1CN(CCCCCF)C[C@H]1O)[C@H]1CCc2nnnn2CC1 ZINC001196290320 841340256 /nfs/dbraw/zinc/34/02/56/841340256.db2.gz JHTRKJGXGPLDCN-BFHYXJOUSA-N 0 3 354.430 -0.073 20 0 FBADHN O=C(N[C@@H]1CN(CCCCCF)C[C@H]1O)[C@@H]1CCc2nnnn2CC1 ZINC001196290322 841339159 /nfs/dbraw/zinc/33/91/59/841339159.db2.gz JHTRKJGXGPLDCN-MGPQQGTHSA-N 0 3 354.430 -0.073 20 0 FBADHN O=C(CCc1cnn[nH]1)N[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001196291163 841340882 /nfs/dbraw/zinc/34/08/82/841340882.db2.gz PLHOXXWFFKPLKO-GMTAPVOTSA-N 0 3 351.329 -0.788 20 0 FBADHN O=C(CCc1cnn[nH]1)N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001196291164 841342140 /nfs/dbraw/zinc/34/21/40/841342140.db2.gz PLHOXXWFFKPLKO-HBNTYKKESA-N 0 3 351.329 -0.788 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196291494 841341162 /nfs/dbraw/zinc/34/11/62/841341162.db2.gz SDSZGUMPEFAVGV-CHWSQXEVSA-N 0 3 350.448 -0.094 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001196291494 841341150 /nfs/dbraw/zinc/34/11/50/841341150.db2.gz SDSZGUMPEFAVGV-CHWSQXEVSA-N 0 3 350.448 -0.094 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001196314358 841338247 /nfs/dbraw/zinc/33/82/47/841338247.db2.gz REIYXGKJNHIUHB-ZIAGYGMSSA-N 0 3 352.435 -0.448 20 0 FBADHN O=C(CCc1c[nH]nn1)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O ZINC001196319569 841341631 /nfs/dbraw/zinc/34/16/31/841341631.db2.gz CCWMWDHHDIJRDA-RBSFLKMASA-N 0 3 353.423 -0.906 20 0 FBADHN O=C(CCc1c[nH]nn1)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001196319571 841341034 /nfs/dbraw/zinc/34/10/34/841341034.db2.gz CCWMWDHHDIJRDA-RRFJBIMHSA-N 0 3 353.423 -0.906 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 ZINC001196332438 841343493 /nfs/dbraw/zinc/34/34/93/841343493.db2.gz CDFWXLHGRYKNCG-HUUCEWRRSA-N 0 3 350.419 -0.601 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 ZINC001196333811 841343108 /nfs/dbraw/zinc/34/31/08/841343108.db2.gz RNVUGPJHUOZPLW-HUUCEWRRSA-N 0 3 350.419 -0.601 20 0 FBADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1)OC ZINC001196339661 841346274 /nfs/dbraw/zinc/34/62/74/841346274.db2.gz TUBKGWGETMEVCF-RBSFLKMASA-N 0 3 350.419 -0.602 20 0 FBADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1)OC ZINC001196339663 841345812 /nfs/dbraw/zinc/34/58/12/841345812.db2.gz TUBKGWGETMEVCF-RRFJBIMHSA-N 0 3 350.419 -0.602 20 0 FBADHN Nc1cn(C(=O)c2snnc2CO)ccc1=NCCN1CCOCC1 ZINC001196351551 841347541 /nfs/dbraw/zinc/34/75/41/841347541.db2.gz LJSAXMMOTRCDIE-UHFFFAOYSA-N 0 3 364.431 -0.665 20 0 FBADHN CNC(=O)CN1CCCC12CCN(C(=O)c1snnc1CO)CC2 ZINC001196354637 841347053 /nfs/dbraw/zinc/34/70/53/841347053.db2.gz MRFGVJYGAJWUPQ-UHFFFAOYSA-N 0 3 353.448 -0.153 20 0 FBADHN Nc1cn(C(=O)c2csc(CO)n2)ccc1=NCCN1CCOCC1 ZINC001196369938 841348378 /nfs/dbraw/zinc/34/83/78/841348378.db2.gz DNOLXOUNXDFDBZ-UHFFFAOYSA-N 0 3 363.443 -0.060 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001196421360 841354230 /nfs/dbraw/zinc/35/42/30/841354230.db2.gz MMHPAFXNSQXOEG-FVQBIDKESA-N 0 3 369.487 -0.282 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001196421380 841353826 /nfs/dbraw/zinc/35/38/26/841353826.db2.gz MMHPAFXNSQXOEG-NUEKZKHPSA-N 0 3 369.487 -0.282 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001196421446 841354992 /nfs/dbraw/zinc/35/49/92/841354992.db2.gz NGJKHFQWPSVSTG-IACUBPJLSA-N 0 3 359.492 -0.334 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001196421448 841354808 /nfs/dbraw/zinc/35/48/08/841354808.db2.gz NGJKHFQWPSVSTG-MRVWCRGKSA-N 0 3 359.492 -0.334 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001196429423 841356519 /nfs/dbraw/zinc/35/65/19/841356519.db2.gz KKJZLESUUCWGLP-BPLDGKMQSA-N 0 3 359.492 -0.024 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001196429424 841355974 /nfs/dbraw/zinc/35/59/74/841355974.db2.gz KKJZLESUUCWGLP-NWANDNLSSA-N 0 3 359.492 -0.024 20 0 FBADHN Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196430143 841357496 /nfs/dbraw/zinc/35/74/96/841357496.db2.gz XCLOTOXCLKVGIG-FVQBIDKESA-N 0 3 369.487 -0.098 20 0 FBADHN Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196430144 841357235 /nfs/dbraw/zinc/35/72/35/841357235.db2.gz 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CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196490619 841363239 /nfs/dbraw/zinc/36/32/39/841363239.db2.gz SXOFKIVYKARYDC-JLVOYYQZSA-N 0 3 362.496 -0.710 20 0 FBADHN CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196490620 841363924 /nfs/dbraw/zinc/36/39/24/841363924.db2.gz SXOFKIVYKARYDC-YOIVVXPQSA-N 0 3 362.496 -0.710 20 0 FBADHN CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001196549825 841366563 /nfs/dbraw/zinc/36/65/63/841366563.db2.gz COLGWGVDMBGDOD-HLMASZERSA-N 0 3 350.419 -0.785 20 0 FBADHN CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001196549830 841367016 /nfs/dbraw/zinc/36/70/16/841367016.db2.gz COLGWGVDMBGDOD-QAMKJQMISA-N 0 3 350.419 -0.785 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@H]1O ZINC001196550050 841366604 /nfs/dbraw/zinc/36/66/04/841366604.db2.gz GEPWRSGPRZUQNN-NEXFUWMNSA-N 0 3 361.508 -0.135 20 0 FBADHN CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001196550471 841367510 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ZINC001196911500 841406124 /nfs/dbraw/zinc/40/61/24/841406124.db2.gz KRZJSEDNJCBUHT-KFWWJZLASA-N 0 3 353.463 -0.121 20 0 FBADHN CNC(=O)C1(C(=O)N[C@@H]2CN(C[C@@H](OC)C3CCCC3)C[C@H]2O)CC1 ZINC001196911501 841406765 /nfs/dbraw/zinc/40/67/65/841406765.db2.gz KRZJSEDNJCBUHT-RBSFLKMASA-N 0 3 353.463 -0.121 20 0 FBADHN CNC(=O)C1(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001196911694 841406749 /nfs/dbraw/zinc/40/67/49/841406749.db2.gz OQDPAAAOFVZUTE-QLFBSQMISA-N 0 3 353.463 -0.385 20 0 FBADHN CNC(=O)C1(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001196911695 841406586 /nfs/dbraw/zinc/40/65/86/841406586.db2.gz OQDPAAAOFVZUTE-RBSFLKMASA-N 0 3 353.463 -0.385 20 0 FBADHN CNC(=O)C1(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CC1 ZINC001196911965 841407996 /nfs/dbraw/zinc/40/79/96/841407996.db2.gz WWMZMDSVZWQRLL-HUUCEWRRSA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(CNC(=O)CC1CCCC1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001196924721 841404002 /nfs/dbraw/zinc/40/40/02/841404002.db2.gz 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ZINC001196946689 841411881 /nfs/dbraw/zinc/41/18/81/841411881.db2.gz OYPIYCDYOARHOO-BRWVUGGUSA-N 0 3 355.479 -0.171 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001196946690 841411245 /nfs/dbraw/zinc/41/12/45/841411245.db2.gz OYPIYCDYOARHOO-GVDBMIGSSA-N 0 3 355.479 -0.171 20 0 FBADHN CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001196946696 841411665 /nfs/dbraw/zinc/41/16/65/841411665.db2.gz PAPTWCYULAUHFH-RBSFLKMASA-N 0 3 356.467 -0.502 20 0 FBADHN CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001196946697 841411365 /nfs/dbraw/zinc/41/13/65/841411365.db2.gz PAPTWCYULAUHFH-RRFJBIMHSA-N 0 3 356.467 -0.502 20 0 FBADHN Cc1nc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)CCN3CCOCC3)C2)n[nH]1 ZINC001196953320 841412626 /nfs/dbraw/zinc/41/26/26/841412626.db2.gz CMWBADWUFIQMNL-IACUBPJLSA-N 0 3 352.439 -0.942 20 0 FBADHN Cc1nc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)CCN3CCOCC3)C2)n[nH]1 ZINC001196953323 841413000 /nfs/dbraw/zinc/41/30/00/841413000.db2.gz CMWBADWUFIQMNL-MRVWCRGKSA-N 0 3 352.439 -0.942 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CCN3CCOCC3)C2)C1 ZINC001196953622 841413333 /nfs/dbraw/zinc/41/33/33/841413333.db2.gz GGIBJZCIXVLHFG-BHUNQDJPSA-N 0 3 355.479 -0.315 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001196953721 841413395 /nfs/dbraw/zinc/41/33/95/841413395.db2.gz ILHJOTAJOYBHTP-BRWVUGGUSA-N 0 3 355.479 -0.313 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001196953722 841413069 /nfs/dbraw/zinc/41/30/69/841413069.db2.gz ILHJOTAJOYBHTP-GVDBMIGSSA-N 0 3 355.479 -0.313 20 0 FBADHN CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001196953885 841412946 /nfs/dbraw/zinc/41/29/46/841412946.db2.gz JXZUBXWMELJVAI-FYFCFCJWSA-N 0 3 354.451 -0.726 20 0 FBADHN CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001196953886 841413199 /nfs/dbraw/zinc/41/31/99/841413199.db2.gz JXZUBXWMELJVAI-NMJJRHIFSA-N 0 3 354.451 -0.726 20 0 FBADHN CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001196953887 841413016 /nfs/dbraw/zinc/41/30/16/841413016.db2.gz JXZUBXWMELJVAI-QVWFHYRISA-N 0 3 354.451 -0.726 20 0 FBADHN CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001196953888 841412585 /nfs/dbraw/zinc/41/25/85/841412585.db2.gz JXZUBXWMELJVAI-XCWUXJFVSA-N 0 3 354.451 -0.726 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196953892 841413096 /nfs/dbraw/zinc/41/30/96/841413096.db2.gz KFMDPQOEZKEGEW-HUUCEWRRSA-N 0 3 368.503 -0.122 20 0 FBADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1)C1CC1 ZINC001196954199 841412568 /nfs/dbraw/zinc/41/25/68/841412568.db2.gz SGJYAMJSODGJFQ-BRWVUGGUSA-N 0 3 355.479 -0.315 20 0 FBADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1)C1CC1 ZINC001196954201 841413457 /nfs/dbraw/zinc/41/34/57/841413457.db2.gz SGJYAMJSODGJFQ-ZACQAIPSSA-N 0 3 355.479 -0.315 20 0 FBADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001196954301 841413245 /nfs/dbraw/zinc/41/32/45/841413245.db2.gz WNWSJKFOBOFTHV-BFHYXJOUSA-N 0 3 360.430 -0.942 20 0 FBADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001196954305 841413559 /nfs/dbraw/zinc/41/35/59/841413559.db2.gz WNWSJKFOBOFTHV-MGPQQGTHSA-N 0 3 360.430 -0.942 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1)C1CCC1 ZINC001196954356 841412797 /nfs/dbraw/zinc/41/27/97/841412797.db2.gz WOYCFIXKQDJPOV-BRWVUGGUSA-N 0 3 355.479 -0.315 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1)C1CCC1 ZINC001196954357 841412868 /nfs/dbraw/zinc/41/28/68/841412868.db2.gz WOYCFIXKQDJPOV-ZACQAIPSSA-N 0 3 355.479 -0.315 20 0 FBADHN CC1(C)CO[C@H](CN2C[C@@H](O)[C@H](NC(=O)CCN3CCOCC3)C2)C1 ZINC001196954408 841412648 /nfs/dbraw/zinc/41/26/48/841412648.db2.gz XEGAWHGYUNUPFJ-ARFHVFGLSA-N 0 3 355.479 -0.315 20 0 FBADHN CC1(C)CO[C@@H](CN2C[C@@H](O)[C@H](NC(=O)CCN3CCOCC3)C2)C1 ZINC001196954410 841413153 /nfs/dbraw/zinc/41/31/53/841413153.db2.gz XEGAWHGYUNUPFJ-BZUAXINKSA-N 0 3 355.479 -0.315 20 0 FBADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1O ZINC001196954510 841413298 /nfs/dbraw/zinc/41/32/98/841413298.db2.gz YQKGQJJFBPYMGF-RBSFLKMASA-N 0 3 356.467 -0.646 20 0 FBADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1O ZINC001196954512 841413179 /nfs/dbraw/zinc/41/31/79/841413179.db2.gz YQKGQJJFBPYMGF-RRFJBIMHSA-N 0 3 356.467 -0.646 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001197000261 841415684 /nfs/dbraw/zinc/41/56/84/841415684.db2.gz AOBOMUQPDHJNIG-HUUCEWRRSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001197000304 841415490 /nfs/dbraw/zinc/41/54/90/841415490.db2.gz CPRTVWDTKIATSQ-ZIAGYGMSSA-N 0 3 353.471 -0.617 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001197000385 841415564 /nfs/dbraw/zinc/41/55/64/841415564.db2.gz FRRNEKMGTHFNOX-HZPDHXFCSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001197000631 841415300 /nfs/dbraw/zinc/41/53/00/841415300.db2.gz GHLOMCMPEOKNND-HZPDHXFCSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001197000829 841417109 /nfs/dbraw/zinc/41/71/09/841417109.db2.gz LYPFVUBTNJNSFW-HUUCEWRRSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001197000861 841417200 /nfs/dbraw/zinc/41/72/00/841417200.db2.gz NBVCMJNPNIUBDH-HZPDHXFCSA-N 0 3 354.495 -0.108 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197001089 841417339 /nfs/dbraw/zinc/41/73/39/841417339.db2.gz SLFOEPVHYPTGOV-BZUAXINKSA-N 0 3 354.495 -0.062 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001197001090 841416674 /nfs/dbraw/zinc/41/66/74/841416674.db2.gz SLFOEPVHYPTGOV-OWCLPIDISA-N 0 3 354.495 -0.062 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197001215 841417226 /nfs/dbraw/zinc/41/72/26/841417226.db2.gz UCMQCWURSKWGRI-BZUAXINKSA-N 0 3 354.495 -0.110 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197001216 841417509 /nfs/dbraw/zinc/41/75/09/841417509.db2.gz UCMQCWURSKWGRI-OWCLPIDISA-N 0 3 354.495 -0.110 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001197001229 841417526 /nfs/dbraw/zinc/41/75/26/841417526.db2.gz VPDMNSBTVFKKEM-HZPDHXFCSA-N 0 3 354.495 -0.062 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001197001278 841417629 /nfs/dbraw/zinc/41/76/29/841417629.db2.gz YBJGQARTWKUTRV-HZPDHXFCSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001197001287 841417238 /nfs/dbraw/zinc/41/72/38/841417238.db2.gz YJZZMANGAFMCOV-ZIAGYGMSSA-N 0 3 353.471 -0.617 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001197009411 841416770 /nfs/dbraw/zinc/41/67/70/841416770.db2.gz DDVCJCHXFPPXQQ-HZPDHXFCSA-N 0 3 352.483 -0.049 20 0 FBADHN CCn1nc(C(=O)N[C@@H]2CN(CCCCCOC)C[C@H]2O)ccc1=O ZINC001197018362 841421458 /nfs/dbraw/zinc/42/14/58/841421458.db2.gz RPVORHUKRFPHQP-HUUCEWRRSA-N 0 3 352.435 -0.145 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1O ZINC001197034051 841421802 /nfs/dbraw/zinc/42/18/02/841421802.db2.gz CVNLBDRAMSBTHJ-HZPDHXFCSA-N 0 3 354.495 -0.062 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001197034166 841421772 /nfs/dbraw/zinc/42/17/72/841421772.db2.gz JHCICVDBGRRFHC-ARFHVFGLSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001197034167 841421328 /nfs/dbraw/zinc/42/13/28/841421328.db2.gz JHCICVDBGRRFHC-BZUAXINKSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)no2)C[C@H]1O ZINC001197034493 841423292 /nfs/dbraw/zinc/42/32/92/841423292.db2.gz QAEFGGVBILNZII-CHWSQXEVSA-N 0 3 353.423 -0.575 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197034685 841422735 /nfs/dbraw/zinc/42/27/35/841422735.db2.gz TXEZMQGMVZNPRT-HZPDHXFCSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O ZINC001197034734 841422883 /nfs/dbraw/zinc/42/28/83/841422883.db2.gz WBPJGZHFOMNHOY-GHMZBOCLSA-N 0 3 354.373 -0.832 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCOCC2)C1 ZINC001197041457 841416931 /nfs/dbraw/zinc/41/69/31/841416931.db2.gz IESBODUQXAEVAR-HUUCEWRRSA-N 0 3 357.451 -0.883 20 0 FBADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCOCC2)C1)OC ZINC001197042125 841418613 /nfs/dbraw/zinc/41/86/13/841418613.db2.gz SZWJXEXMQMRFCV-RBSFLKMASA-N 0 3 357.451 -0.885 20 0 FBADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCOCC2)C1)OC ZINC001197042129 841418712 /nfs/dbraw/zinc/41/87/12/841418712.db2.gz SZWJXEXMQMRFCV-RRFJBIMHSA-N 0 3 357.451 -0.885 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCOCC2)C1 ZINC001197042170 841418625 /nfs/dbraw/zinc/41/86/25/841418625.db2.gz UZTYTKQLPJMVEC-HUUCEWRRSA-N 0 3 357.451 -0.883 20 0 FBADHN O=C(CNC(=O)C1CCOCC1)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001197042230 841418123 /nfs/dbraw/zinc/41/81/23/841418123.db2.gz WKZUOORNYZNGTB-HUUCEWRRSA-N 0 3 359.442 -0.170 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H](O)COCc2cccs2)C[C@H]1O)c1nc[nH]n1 ZINC001197042593 841419005 /nfs/dbraw/zinc/41/90/05/841419005.db2.gz YBPMBZFLUKJLPX-CYZMBNFOSA-N 0 3 367.431 -0.781 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H](O)COCc2cccs2)C[C@H]1O)c1ncn[nH]1 ZINC001197042593 841418997 /nfs/dbraw/zinc/41/89/97/841418997.db2.gz YBPMBZFLUKJLPX-CYZMBNFOSA-N 0 3 367.431 -0.781 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H](O)COCc2cccs2)C[C@H]1O)c1nc[nH]n1 ZINC001197042595 841418860 /nfs/dbraw/zinc/41/88/60/841418860.db2.gz YBPMBZFLUKJLPX-RAIGVLPGSA-N 0 3 367.431 -0.781 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H](O)COCc2cccs2)C[C@H]1O)c1ncn[nH]1 ZINC001197042595 841418856 /nfs/dbraw/zinc/41/88/56/841418856.db2.gz YBPMBZFLUKJLPX-RAIGVLPGSA-N 0 3 367.431 -0.781 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001197048447 841418662 /nfs/dbraw/zinc/41/86/62/841418662.db2.gz BGPJRZKLUDQSAI-FVQBIDKESA-N 0 3 354.495 -0.063 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001197048449 841418784 /nfs/dbraw/zinc/41/87/84/841418784.db2.gz BGPJRZKLUDQSAI-NUEKZKHPSA-N 0 3 354.495 -0.063 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O ZINC001197048475 841418182 /nfs/dbraw/zinc/41/81/82/841418182.db2.gz BRUJULDZJZDQIL-ZIAGYGMSSA-N 0 3 350.467 -0.383 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001197048510 841418891 /nfs/dbraw/zinc/41/88/91/841418891.db2.gz CJUYMVHXNXAELZ-ARFHVFGLSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001197048511 841418407 /nfs/dbraw/zinc/41/84/07/841418407.db2.gz CJUYMVHXNXAELZ-BZUAXINKSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@H]1O ZINC001197048571 841418814 /nfs/dbraw/zinc/41/88/14/841418814.db2.gz DAGMAMKRCZOCJE-HUUCEWRRSA-N 0 3 352.483 -0.063 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCCOC)C[C@H]1O ZINC001197048589 841418475 /nfs/dbraw/zinc/41/84/75/841418475.db2.gz DUSBIVOEXYLICS-RBSFLKMASA-N 0 3 358.483 -0.969 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCCOC)C[C@H]1O ZINC001197048590 841418336 /nfs/dbraw/zinc/41/83/36/841418336.db2.gz DUSBIVOEXYLICS-RRFJBIMHSA-N 0 3 358.483 -0.969 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1O ZINC001197048806 841418556 /nfs/dbraw/zinc/41/85/56/841418556.db2.gz GWJNFHHFKGVVRX-CHWSQXEVSA-N 0 3 353.471 -0.569 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@H]1O ZINC001197048843 841418676 /nfs/dbraw/zinc/41/86/76/841418676.db2.gz HAKDRYCIKNBPOH-HUUCEWRRSA-N 0 3 363.524 -0.297 20 0 FBADHN CCOc1nnc(CN2C[C@@H](O)[C@H](NC(=O)CN(CC)CC)C2)s1 ZINC001197048872 841418586 /nfs/dbraw/zinc/41/85/86/841418586.db2.gz ICONEGHBVIDUTD-VXGBXAGGSA-N 0 3 357.480 -0.060 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2cc(=O)c(OC)co2)C[C@H]1O ZINC001197049101 841418725 /nfs/dbraw/zinc/41/87/25/841418725.db2.gz JRLUNSWJAASXSA-UKRRQHHQSA-N 0 3 353.419 -0.349 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@H]1O ZINC001197049231 841418955 /nfs/dbraw/zinc/41/89/55/841418955.db2.gz LDVNKMRMLWUPCV-CHWSQXEVSA-N 0 3 355.439 -0.738 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1O ZINC001197049338 841418498 /nfs/dbraw/zinc/41/84/98/841418498.db2.gz MNJUAWXZOPQFDU-IJLUTSLNSA-N 0 3 368.400 -0.444 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1O ZINC001197049347 841418572 /nfs/dbraw/zinc/41/85/72/841418572.db2.gz MNJUAWXZOPQFDU-QJPTWQEYSA-N 0 3 368.400 -0.444 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc(C)n2C2CC2)C[C@H]1O ZINC001197049391 841418759 /nfs/dbraw/zinc/41/87/59/841418759.db2.gz NHBDTPCPJCHUSR-HUUCEWRRSA-N 0 3 350.467 -0.075 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc(C(C)C)n2C)C[C@H]1O ZINC001197049628 841418926 /nfs/dbraw/zinc/41/89/26/841418926.db2.gz OSWUCXYJKMEVHD-ZIAGYGMSSA-N 0 3 352.483 -0.058 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1O ZINC001197049654 841418743 /nfs/dbraw/zinc/41/87/43/841418743.db2.gz PHRYZIDVODSSQT-VXGBXAGGSA-N 0 3 356.496 -0.393 20 0 FBADHN CCCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)CN(CC)CC)C1 ZINC001197049681 841418260 /nfs/dbraw/zinc/41/82/60/841418260.db2.gz QDFLZQZXXVXYNG-HUUCEWRRSA-N 0 3 352.483 0.000 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2cnc(OC)nc2C)C[C@H]1O ZINC001197049685 841418269 /nfs/dbraw/zinc/41/82/69/841418269.db2.gz QEZVEGXLBWPJNN-HUUCEWRRSA-N 0 3 351.451 -0.203 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@H]1O ZINC001197049695 841418228 /nfs/dbraw/zinc/41/82/28/841418228.db2.gz QLMZINRZOXQVTI-VXGBXAGGSA-N 0 3 360.409 -0.454 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1O ZINC001197049700 841418872 /nfs/dbraw/zinc/41/88/72/841418872.db2.gz QSHJVXQTSMBIHP-ZIAGYGMSSA-N 0 3 350.467 -0.304 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1O ZINC001197049733 841418356 /nfs/dbraw/zinc/41/83/56/841418356.db2.gz RKRCZEITMQUWJH-VXGBXAGGSA-N 0 3 368.400 -0.490 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1O ZINC001197050027 841418154 /nfs/dbraw/zinc/41/81/54/841418154.db2.gz SRWQZSCKLIHUPJ-CHWSQXEVSA-N 0 3 369.491 -0.391 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O ZINC001197050149 841418967 /nfs/dbraw/zinc/41/89/67/841418967.db2.gz YMVYBNJSOBCOGP-VXGBXAGGSA-N 0 3 355.464 -0.415 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)C[C@H]1O ZINC001197050161 841419917 /nfs/dbraw/zinc/41/99/17/841419917.db2.gz ZCVHFQCLDFKEHL-JHJVBQTASA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nc([C@H](C)OC)no2)C[C@H]1O ZINC001197050162 841420101 /nfs/dbraw/zinc/42/01/01/841420101.db2.gz ZCVHFQCLDFKEHL-YNEHKIRRSA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001197057366 841420390 /nfs/dbraw/zinc/42/03/90/841420390.db2.gz AASFFAXPMDTZOB-RBSFLKMASA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001197057368 841420504 /nfs/dbraw/zinc/42/05/04/841420504.db2.gz AASFFAXPMDTZOB-RRFJBIMHSA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2nc(C)cs2)C[C@H]1O ZINC001197057465 841419577 /nfs/dbraw/zinc/41/95/77/841419577.db2.gz BZZKJMRIUNKXSN-CHWSQXEVSA-N 0 3 369.491 -0.107 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O ZINC001197057534 841419713 /nfs/dbraw/zinc/41/97/13/841419713.db2.gz CVGXZTJXXANSQO-HZPDHXFCSA-N 0 3 354.495 -0.108 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@H]1O ZINC001197057548 841420424 /nfs/dbraw/zinc/42/04/24/841420424.db2.gz DEXYKCAAAYZCJJ-ZIAGYGMSSA-N 0 3 356.492 -0.279 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@H]1O ZINC001197057560 841419957 /nfs/dbraw/zinc/41/99/57/841419957.db2.gz DSXYSHHBURHOOY-HUUCEWRRSA-N 0 3 352.435 -0.250 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001197057575 841420374 /nfs/dbraw/zinc/42/03/74/841420374.db2.gz FKROAPCIPVHRIS-CHWSQXEVSA-N 0 3 353.471 -0.569 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001197057804 841419622 /nfs/dbraw/zinc/41/96/22/841419622.db2.gz JQIOXOAMROPLME-ARFHVFGLSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001197057805 841419844 /nfs/dbraw/zinc/41/98/44/841419844.db2.gz JQIOXOAMROPLME-BZUAXINKSA-N 0 3 354.495 -0.252 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)CN(CC)CC)C1 ZINC001197057879 841420213 /nfs/dbraw/zinc/42/02/13/841420213.db2.gz LBVXMIAAFAZRTO-ZIAGYGMSSA-N 0 3 353.471 -0.524 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001197058085 841420480 /nfs/dbraw/zinc/42/04/80/841420480.db2.gz NOKQPDCRDMOUDE-ZIAGYGMSSA-N 0 3 357.499 -0.413 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)c2nc(COC)no2)C[C@H]1O ZINC001197058093 841420078 /nfs/dbraw/zinc/42/00/78/841420078.db2.gz NWOYDBZLIFMNHH-JHJVBQTASA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)c2nc(COC)no2)C[C@H]1O ZINC001197058094 841419758 /nfs/dbraw/zinc/41/97/58/841419758.db2.gz NWOYDBZLIFMNHH-YNEHKIRRSA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001197058096 841420321 /nfs/dbraw/zinc/42/03/21/841420321.db2.gz NXQVCTJRYPVHHW-QLFBSQMISA-N 0 3 354.495 -0.111 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001197058097 841419682 /nfs/dbraw/zinc/41/96/82/841419682.db2.gz NXQVCTJRYPVHHW-RBSFLKMASA-N 0 3 354.495 -0.111 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NCc2cccs2)C[C@H]1O ZINC001197058098 841420027 /nfs/dbraw/zinc/42/00/27/841420027.db2.gz OAAIWTNXHQBLKC-HUUCEWRRSA-N 0 3 368.503 -0.133 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)Nc2nccs2)C[C@H]1O ZINC001197058101 841419939 /nfs/dbraw/zinc/41/99/39/841419939.db2.gz OGDMIPXNFZMZCQ-JHJVBQTASA-N 0 3 369.491 -0.027 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)Nc2nccs2)C[C@H]1O ZINC001197058102 841420541 /nfs/dbraw/zinc/42/05/41/841420541.db2.gz OGDMIPXNFZMZCQ-YNEHKIRRSA-N 0 3 369.491 -0.027 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)C[C@H]1O ZINC001197058154 841420181 /nfs/dbraw/zinc/42/01/81/841420181.db2.gz POVIGBUSRRCHSE-IACUBPJLSA-N 0 3 351.455 -0.428 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C2CC2)C[C@H]1O ZINC001197058155 841420516 /nfs/dbraw/zinc/42/05/16/841420516.db2.gz POVIGBUSRRCHSE-MRVWCRGKSA-N 0 3 351.455 -0.428 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1O ZINC001197058339 841419974 /nfs/dbraw/zinc/41/99/74/841419974.db2.gz PRZUPOQXBUAIND-ZIAGYGMSSA-N 0 3 350.467 -0.304 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O ZINC001197058349 841419529 /nfs/dbraw/zinc/41/95/29/841419529.db2.gz QIARRPVIKQOWRI-HZPDHXFCSA-N 0 3 350.467 -0.309 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1O ZINC001197058355 841419596 /nfs/dbraw/zinc/41/95/96/841419596.db2.gz QJXZJVLRJBZLCH-ZIAGYGMSSA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197058391 841419890 /nfs/dbraw/zinc/41/98/90/841419890.db2.gz RKAHTEPPIBAXRX-JHJVBQTASA-N 0 3 371.400 -0.571 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197058392 841420415 /nfs/dbraw/zinc/42/04/15/841420415.db2.gz RKAHTEPPIBAXRX-YNEHKIRRSA-N 0 3 371.400 -0.571 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001197058415 841420348 /nfs/dbraw/zinc/42/03/48/841420348.db2.gz SMCYKDMKINSIDS-BZUAXINKSA-N 0 3 352.479 -0.357 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001197058416 841420044 /nfs/dbraw/zinc/42/00/44/841420044.db2.gz SMCYKDMKINSIDS-OWCLPIDISA-N 0 3 352.479 -0.357 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)on2)C[C@H]1O ZINC001197058423 841421921 /nfs/dbraw/zinc/42/19/21/841421921.db2.gz SSBDBZFXXIIBMY-CHWSQXEVSA-N 0 3 353.423 -0.575 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197058648 841421276 /nfs/dbraw/zinc/42/12/76/841421276.db2.gz VNHGCQSDFKNQNT-RBSFLKMASA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197058649 841421358 /nfs/dbraw/zinc/42/13/58/841421358.db2.gz VNHGCQSDFKNQNT-RRFJBIMHSA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1O ZINC001197058652 841421126 /nfs/dbraw/zinc/42/11/26/841421126.db2.gz VRBYJYJYRGIKIU-HUUCEWRRSA-N 0 3 352.435 -0.601 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001197058701 841421827 /nfs/dbraw/zinc/42/18/27/841421827.db2.gz XFDDLCSSZPYVSZ-HUUCEWRRSA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@H]1O ZINC001197058709 841421632 /nfs/dbraw/zinc/42/16/32/841421632.db2.gz XOHWLLDZQNLZBA-VXGBXAGGSA-N 0 3 370.479 -0.712 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@H]1O ZINC001197058753 841421692 /nfs/dbraw/zinc/42/16/92/841421692.db2.gz ZAFANTCFNWJPKB-CHWSQXEVSA-N 0 3 355.439 -0.738 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1O ZINC001197138739 841427028 /nfs/dbraw/zinc/42/70/28/841427028.db2.gz FIECSTQHFXISOX-OASPWFOLSA-N 0 3 354.407 -0.939 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1O ZINC001197138740 841427159 /nfs/dbraw/zinc/42/71/59/841427159.db2.gz FIECSTQHFXISOX-ZWKOPEQDSA-N 0 3 354.407 -0.939 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001197138749 841427339 /nfs/dbraw/zinc/42/73/39/841427339.db2.gz FRVLQNLYQHDFGA-CHWSQXEVSA-N 0 3 354.407 -0.673 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001197140537 841427283 /nfs/dbraw/zinc/42/72/83/841427283.db2.gz YCVIUEHYELJJIP-CHWSQXEVSA-N 0 3 354.407 -0.673 20 0 FBADHN O=C(CCn1cnnn1)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001197156600 841431927 /nfs/dbraw/zinc/43/19/27/841431927.db2.gz VTOHXEIMLSOCAK-GHMZBOCLSA-N 0 3 366.344 -0.807 20 0 FBADHN COC(=O)CNC(=S)N1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001197164187 841433895 /nfs/dbraw/zinc/43/38/95/841433895.db2.gz VSRAOYLVPUASBV-UHFFFAOYSA-N 0 3 366.487 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CCCN(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)Nc2nccs2)C[C@H]1O ZINC001198019959 841522013 /nfs/dbraw/zinc/52/20/13/841522013.db2.gz DHNMQVXRJQDJIA-YNEHKIRRSA-N 0 3 369.491 -0.027 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@H]1O ZINC001198019962 841523196 /nfs/dbraw/zinc/52/31/96/841523196.db2.gz DLRYLLQTJYJKCH-VXGBXAGGSA-N 0 3 360.409 -0.454 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198019979 841523265 /nfs/dbraw/zinc/52/32/65/841523265.db2.gz DWFFJCQKLILEPC-HZPDHXFCSA-N 0 3 354.495 -0.252 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2cnc(OC)nc2C)C[C@H]1O ZINC001198019983 841524005 /nfs/dbraw/zinc/52/40/05/841524005.db2.gz FBZVPLFXCYZNPH-HUUCEWRRSA-N 0 3 351.451 -0.203 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@H]1O ZINC001198019985 841523515 /nfs/dbraw/zinc/52/35/15/841523515.db2.gz FCRWGLOSBOZTIP-VXGBXAGGSA-N 0 3 370.479 -0.712 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@H]1O ZINC001198020005 841523866 /nfs/dbraw/zinc/52/38/66/841523866.db2.gz FKDWKAJSBCOZGT-HUUCEWRRSA-N 0 3 352.483 -0.063 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O ZINC001198020125 841523156 /nfs/dbraw/zinc/52/31/56/841523156.db2.gz GJHLDWBWRKMRSP-GHMZBOCLSA-N 0 3 354.373 -0.832 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001198020187 841523811 /nfs/dbraw/zinc/52/38/11/841523811.db2.gz IHYGKNCYTZODKR-ARFHVFGLSA-N 0 3 354.495 -0.110 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001198020188 841524284 /nfs/dbraw/zinc/52/42/84/841524284.db2.gz IHYGKNCYTZODKR-BZUAXINKSA-N 0 3 354.495 -0.110 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nnc(C)n2C2CC2)C[C@H]1O ZINC001198020192 841522854 /nfs/dbraw/zinc/52/28/54/841522854.db2.gz IKLFFJRWWQVYMA-HUUCEWRRSA-N 0 3 350.467 -0.075 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O ZINC001198020376 841522884 /nfs/dbraw/zinc/52/28/84/841522884.db2.gz LQTILRBCXHFBBR-VXGBXAGGSA-N 0 3 355.464 -0.415 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1O ZINC001198020502 841524140 /nfs/dbraw/zinc/52/41/40/841524140.db2.gz OMVXFANDBOKMDO-CHWSQXEVSA-N 0 3 353.471 -0.569 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)C[C@H]1O ZINC001198020507 841524431 /nfs/dbraw/zinc/52/44/31/841524431.db2.gz ONSPMBJSZFJZLD-JHJVBQTASA-N 0 3 355.439 -0.220 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nc([C@H](C)OC)no2)C[C@H]1O ZINC001198020511 841523980 /nfs/dbraw/zinc/52/39/80/841523980.db2.gz ONSPMBJSZFJZLD-YNEHKIRRSA-N 0 3 355.439 -0.220 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)Nc2nc(C)cs2)C[C@H]1O ZINC001198020520 841524093 /nfs/dbraw/zinc/52/40/93/841524093.db2.gz OTMLGYDDLRLHQX-CHWSQXEVSA-N 0 3 369.491 -0.107 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)on2)C[C@H]1O ZINC001198020890 841523543 /nfs/dbraw/zinc/52/35/43/841523543.db2.gz REBUHBGYDYBTIM-CHWSQXEVSA-N 0 3 353.423 -0.575 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)no2)C[C@H]1O ZINC001198020906 841522981 /nfs/dbraw/zinc/52/29/81/841522981.db2.gz RTCDRJMHPJARJF-CHWSQXEVSA-N 0 3 353.423 -0.575 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1O ZINC001198020943 841524332 /nfs/dbraw/zinc/52/43/32/841524332.db2.gz UGEUKXHGXVIUJP-ZIAGYGMSSA-N 0 3 350.467 -0.304 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O ZINC001198021254 841523734 /nfs/dbraw/zinc/52/37/34/841523734.db2.gz UZFXDEKPXZBRKS-HZPDHXFCSA-N 0 3 350.467 -0.309 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O ZINC001198021273 841523057 /nfs/dbraw/zinc/52/30/57/841523057.db2.gz VZIXNEDQUVSPKG-HZPDHXFCSA-N 0 3 354.495 -0.108 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001198021292 841523331 /nfs/dbraw/zinc/52/33/31/841523331.db2.gz WLUHGHIDULYMNY-ARFHVFGLSA-N 0 3 354.495 -0.252 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001198021293 841524232 /nfs/dbraw/zinc/52/42/32/841524232.db2.gz WLUHGHIDULYMNY-BZUAXINKSA-N 0 3 354.495 -0.252 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nnc(C)n2CCC)C[C@H]1O ZINC001198021301 841523416 /nfs/dbraw/zinc/52/34/16/841523416.db2.gz WYMCJWIIDZRIQA-HUUCEWRRSA-N 0 3 352.483 0.000 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@H]1O ZINC001198021308 841523624 /nfs/dbraw/zinc/52/36/24/841523624.db2.gz XFDQCSONLPTGOP-CHWSQXEVSA-N 0 3 355.439 -0.738 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1O ZINC001198021345 841523591 /nfs/dbraw/zinc/52/35/91/841523591.db2.gz YZQZPWRGVANRLZ-HUUCEWRRSA-N 0 3 352.435 -0.601 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O ZINC001198021396 841522871 /nfs/dbraw/zinc/52/28/71/841522871.db2.gz ZTNZXUFDCIKTOM-ZIAGYGMSSA-N 0 3 350.467 -0.383 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001198028477 841522923 /nfs/dbraw/zinc/52/29/23/841522923.db2.gz AUCSHPDMHNJQES-HUUCEWRRSA-N 0 3 361.508 -0.686 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001198028535 841522960 /nfs/dbraw/zinc/52/29/60/841522960.db2.gz CPYQEMZWEBKSSN-ZIAGYGMSSA-N 0 3 357.499 -0.413 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1O ZINC001198028537 841524184 /nfs/dbraw/zinc/52/41/84/841524184.db2.gz CRMDFHODAZNWNM-ZIAGYGMSSA-N 0 3 350.467 -0.304 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028697 841524590 /nfs/dbraw/zinc/52/45/90/841524590.db2.gz GOGMLAKLZBQLIV-JHJVBQTASA-N 0 3 371.400 -0.571 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028698 841524394 /nfs/dbraw/zinc/52/43/94/841524394.db2.gz GOGMLAKLZBQLIV-YNEHKIRRSA-N 0 3 371.400 -0.571 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@H]1O ZINC001198028784 841524076 /nfs/dbraw/zinc/52/40/76/841524076.db2.gz ITFRBECANOHEEC-CHWSQXEVSA-N 0 3 355.439 -0.738 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198028889 841523948 /nfs/dbraw/zinc/52/39/48/841523948.db2.gz LHKVFWVPBJYLPH-QLFBSQMISA-N 0 3 354.495 -0.111 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198028890 841523702 /nfs/dbraw/zinc/52/37/02/841523702.db2.gz LHKVFWVPBJYLPH-RBSFLKMASA-N 0 3 354.495 -0.111 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001198028897 841524118 /nfs/dbraw/zinc/52/41/18/841524118.db2.gz LKGJNABKIXSEAY-CHWSQXEVSA-N 0 3 353.471 -0.569 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1O ZINC001198028921 841526456 /nfs/dbraw/zinc/52/64/56/841526456.db2.gz MQAVRYLNLMIBOV-ZIAGYGMSSA-N 0 3 361.508 -0.686 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)C[C@H]1O ZINC001198028926 841525765 /nfs/dbraw/zinc/52/57/65/841525765.db2.gz MUNAYIZIRVLENW-IACUBPJLSA-N 0 3 351.455 -0.428 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C2CC2)C[C@H]1O ZINC001198028927 841526472 /nfs/dbraw/zinc/52/64/72/841526472.db2.gz MUNAYIZIRVLENW-MRVWCRGKSA-N 0 3 351.455 -0.428 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001198029131 841526290 /nfs/dbraw/zinc/52/62/90/841526290.db2.gz NIABJWNOGIQLBB-RBSFLKMASA-N 0 3 361.508 -0.686 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001198029132 841525641 /nfs/dbraw/zinc/52/56/41/841525641.db2.gz NIABJWNOGIQLBB-RRFJBIMHSA-N 0 3 361.508 -0.686 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H](C)c2nc(COC)no2)C[C@H]1O ZINC001198030328 841525672 /nfs/dbraw/zinc/52/56/72/841525672.db2.gz YDSJJKIDKHFKHJ-JHJVBQTASA-N 0 3 355.439 -0.220 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H](C)c2nc(COC)no2)C[C@H]1O ZINC001198030329 841525117 /nfs/dbraw/zinc/52/51/17/841525117.db2.gz YDSJJKIDKHFKHJ-YNEHKIRRSA-N 0 3 355.439 -0.220 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001198030366 841525954 /nfs/dbraw/zinc/52/59/54/841525954.db2.gz YWHSICDRFOQZMW-RBSFLKMASA-N 0 3 361.508 -0.686 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001198030367 841526172 /nfs/dbraw/zinc/52/61/72/841526172.db2.gz YWHSICDRFOQZMW-RRFJBIMHSA-N 0 3 361.508 -0.686 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198046827 841520923 /nfs/dbraw/zinc/52/09/23/841520923.db2.gz GILZPFXGJADLQH-FVQBIDKESA-N 0 3 354.495 -0.063 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198046828 841520457 /nfs/dbraw/zinc/52/04/57/841520457.db2.gz GILZPFXGJADLQH-NUEKZKHPSA-N 0 3 354.495 -0.063 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198046889 841520866 /nfs/dbraw/zinc/52/08/66/841520866.db2.gz IDQGUXMQWXDILY-BZUAXINKSA-N 0 3 352.479 -0.357 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198046893 841520826 /nfs/dbraw/zinc/52/08/26/841520826.db2.gz IDQGUXMQWXDILY-OWCLPIDISA-N 0 3 352.479 -0.357 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@H]1O ZINC001198047367 841520472 /nfs/dbraw/zinc/52/04/72/841520472.db2.gz KXQIDCXWFDTISW-HUUCEWRRSA-N 0 3 363.524 -0.297 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1O 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BVTBJRDQSYUZMS-HUUCEWRRSA-N 0 3 352.435 -0.145 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001198520125 841566694 /nfs/dbraw/zinc/56/66/94/841566694.db2.gz DWENLIHMYWSNMY-FVQBIDKESA-N 0 3 353.463 -0.025 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001198520126 841565479 /nfs/dbraw/zinc/56/54/79/841565479.db2.gz DWENLIHMYWSNMY-NUEKZKHPSA-N 0 3 353.463 -0.025 20 0 FBADHN CCCn1nc(C(=O)N[C@@H]2CN(CCCCOC)C[C@H]2O)ccc1=O ZINC001198536521 841568075 /nfs/dbraw/zinc/56/80/75/841568075.db2.gz WBSFQQKXQFVHSB-HUUCEWRRSA-N 0 3 352.435 -0.145 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 ZINC001198565341 841570777 /nfs/dbraw/zinc/57/07/77/841570777.db2.gz WXWDAKGVVCLMTN-ZIAGYGMSSA-N 0 3 353.419 -0.013 20 0 FBADHN Cc1nc(C)c(CC(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@H]2O)c(=O)[nH]1 ZINC001198613851 841573262 /nfs/dbraw/zinc/57/32/62/841573262.db2.gz JASFODRJKPDMRD-COLVAYQJSA-N 0 3 352.435 -0.336 20 0 FBADHN Cc1nc(C)c(CC(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@H]2O)c(=O)[nH]1 ZINC001198613853 841573631 /nfs/dbraw/zinc/57/36/31/841573631.db2.gz JASFODRJKPDMRD-VCTAVGKDSA-N 0 3 352.435 -0.336 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001198613858 841573722 /nfs/dbraw/zinc/57/37/22/841573722.db2.gz JBGKURDNEOLHGR-HUUCEWRRSA-N 0 3 352.435 -0.071 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001198614777 841575454 /nfs/dbraw/zinc/57/54/54/841575454.db2.gz WABVOFPFDJQUKX-HUUCEWRRSA-N 0 3 352.435 -0.071 20 0 FBADHN COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001198614777 841575448 /nfs/dbraw/zinc/57/54/48/841575448.db2.gz WABVOFPFDJQUKX-HUUCEWRRSA-N 0 3 352.435 -0.071 20 0 FBADHN COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001198614777 841575439 /nfs/dbraw/zinc/57/54/39/841575439.db2.gz WABVOFPFDJQUKX-HUUCEWRRSA-N 0 3 352.435 -0.071 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001198637436 841576859 /nfs/dbraw/zinc/57/68/59/841576859.db2.gz CECNZUSVDDLNMW-CHWSQXEVSA-N 0 3 354.407 -0.923 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1 ZINC001198637987 841577206 /nfs/dbraw/zinc/57/72/06/841577206.db2.gz HKQJQOVHPPEYEP-HUUCEWRRSA-N 0 3 353.394 -0.247 20 0 FBADHN CC(C)OCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001198638620 841577065 /nfs/dbraw/zinc/57/70/65/841577065.db2.gz LYSPCBCLVXWQRV-CHWSQXEVSA-N 0 3 354.407 -0.924 20 0 FBADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@H]2O)no1 ZINC001198645259 841576076 /nfs/dbraw/zinc/57/60/76/841576076.db2.gz LXBAZFDJSVMDPN-JHJVBQTASA-N 0 3 352.391 -0.491 20 0 FBADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@H]2O)no1 ZINC001198645260 841576664 /nfs/dbraw/zinc/57/66/64/841576664.db2.gz LXBAZFDJSVMDPN-YNEHKIRRSA-N 0 3 352.391 -0.491 20 0 FBADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CN(CC3CCOCC3)C[C@H]2O)no1 ZINC001198645884 841576602 /nfs/dbraw/zinc/57/66/02/841576602.db2.gz VMRXAGAYXPTMPU-CHWSQXEVSA-N 0 3 352.391 -0.491 20 0 FBADHN Cc1nccn1CC(=O)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198671648 841584005 /nfs/dbraw/zinc/58/40/05/841584005.db2.gz INEZDOASLOHXGC-ARFHVFGLSA-N 0 3 352.435 -0.452 20 0 FBADHN Cc1nccn1CC(=O)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198671651 841584747 /nfs/dbraw/zinc/58/47/47/841584747.db2.gz INEZDOASLOHXGC-BZUAXINKSA-N 0 3 352.435 -0.452 20 0 FBADHN O=C(CN1CCCC1)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001198672364 841583502 /nfs/dbraw/zinc/58/35/02/841583502.db2.gz OKDROVLUXCBELD-HZPDHXFCSA-N 0 3 350.467 -0.295 20 0 FBADHN O=C(CN1CCCC1)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198672697 841583317 /nfs/dbraw/zinc/58/33/17/841583317.db2.gz QIPPXUIIOTZBTE-JHJVBQTASA-N 0 3 369.384 -0.817 20 0 FBADHN O=C(CN1CCCC1)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198672699 841583229 /nfs/dbraw/zinc/58/32/29/841583229.db2.gz QIPPXUIIOTZBTE-YNEHKIRRSA-N 0 3 369.384 -0.817 20 0 FBADHN O=C(CN1CCCC1)N[C@@H]1CN(CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001198672790 841584291 /nfs/dbraw/zinc/58/42/91/841584291.db2.gz SLJROFUXTDLQJR-BRWVUGGUSA-N 0 3 355.479 -0.171 20 0 FBADHN O=C(CN1CCCC1)N[C@@H]1CN(CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001198672791 841584100 /nfs/dbraw/zinc/58/41/00/841584100.db2.gz SLJROFUXTDLQJR-GVDBMIGSSA-N 0 3 355.479 -0.171 20 0 FBADHN Cc1nccn1CC(=O)N[C@@H]1CN(C[C@H](O)COCC(C)C)C[C@H]1O ZINC001198672803 841584342 /nfs/dbraw/zinc/58/43/42/841584342.db2.gz SVMNDVGOJLMLGF-ARFHVFGLSA-N 0 3 354.451 -0.614 20 0 FBADHN Cc1nccn1CC(=O)N[C@@H]1CN(C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001198672804 841584410 /nfs/dbraw/zinc/58/44/10/841584410.db2.gz SVMNDVGOJLMLGF-BZUAXINKSA-N 0 3 354.451 -0.614 20 0 FBADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1)C1CC1 ZINC001198680863 841585751 /nfs/dbraw/zinc/58/57/51/841585751.db2.gz SDTQVQCDIABMBQ-KFWWJZLASA-N 0 3 350.419 -0.296 20 0 FBADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1)C1CC1 ZINC001198680865 841586042 /nfs/dbraw/zinc/58/60/42/841586042.db2.gz SDTQVQCDIABMBQ-RBSFLKMASA-N 0 3 350.419 -0.296 20 0 FBADHN CC(C)OCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198698583 841580840 /nfs/dbraw/zinc/58/08/40/841580840.db2.gz BQMZZDJTANVQIS-BRWVUGGUSA-N 0 3 357.495 -0.069 20 0 FBADHN CC(C)OCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198698586 841581502 /nfs/dbraw/zinc/58/15/02/841581502.db2.gz BQMZZDJTANVQIS-GVDBMIGSSA-N 0 3 357.495 -0.069 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198698666 841581733 /nfs/dbraw/zinc/58/17/33/841581733.db2.gz DSISLCBOKDILOH-BRWVUGGUSA-N 0 3 357.495 -0.067 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198698667 841581339 /nfs/dbraw/zinc/58/13/39/841581339.db2.gz DSISLCBOKDILOH-GVDBMIGSSA-N 0 3 357.495 -0.067 20 0 FBADHN CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198698668 841580996 /nfs/dbraw/zinc/58/09/96/841580996.db2.gz DUVQJSUMUCHFIO-BRWVUGGUSA-N 0 3 357.495 -0.211 20 0 FBADHN CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198698669 841581140 /nfs/dbraw/zinc/58/11/40/841581140.db2.gz DUVQJSUMUCHFIO-GVDBMIGSSA-N 0 3 357.495 -0.211 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1O ZINC001198698866 841581599 /nfs/dbraw/zinc/58/15/99/841581599.db2.gz HBAOKAAXYBZBBT-FVQBIDKESA-N 0 3 368.503 -0.185 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1O ZINC001198698868 841581863 /nfs/dbraw/zinc/58/18/63/841581863.db2.gz HBAOKAAXYBZBBT-NUEKZKHPSA-N 0 3 368.503 -0.185 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1O ZINC001198699125 841581455 /nfs/dbraw/zinc/58/14/55/841581455.db2.gz KDYOKELYNJEHHF-DJIMGWMZSA-N 0 3 355.479 -0.315 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1O ZINC001198699126 841582067 /nfs/dbraw/zinc/58/20/67/841582067.db2.gz KDYOKELYNJEHHF-USXIJHARSA-N 0 3 355.479 -0.315 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O ZINC001198699146 841581093 /nfs/dbraw/zinc/58/10/93/841581093.db2.gz LAKPQODHIVNOCK-DJIMGWMZSA-N 0 3 355.479 -0.457 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O ZINC001198699147 841581750 /nfs/dbraw/zinc/58/17/50/841581750.db2.gz LAKPQODHIVNOCK-USXIJHARSA-N 0 3 355.479 -0.457 20 0 FBADHN CCCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198699148 841581648 /nfs/dbraw/zinc/58/16/48/841581648.db2.gz LBSLDCUMUDNAQN-BRWVUGGUSA-N 0 3 357.495 -0.067 20 0 FBADHN CCCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198699149 841581787 /nfs/dbraw/zinc/58/17/87/841581787.db2.gz LBSLDCUMUDNAQN-GVDBMIGSSA-N 0 3 357.495 -0.067 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O ZINC001198699414 841581230 /nfs/dbraw/zinc/58/12/30/841581230.db2.gz QHHSUNWAAVUPHW-ARFHVFGLSA-N 0 3 351.451 -0.987 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O ZINC001198699415 841581060 /nfs/dbraw/zinc/58/10/60/841581060.db2.gz QHHSUNWAAVUPHW-BZUAXINKSA-N 0 3 351.451 -0.987 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CN(CC2CCC(C)(C)CC2)C[C@H]1O ZINC001198722140 841586668 /nfs/dbraw/zinc/58/66/68/841586668.db2.gz KQJJYENVFFVPGZ-ZIAGYGMSSA-N 0 3 361.508 -0.087 20 0 FBADHN O=C(CCN1CCCC1=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001198744302 841590724 /nfs/dbraw/zinc/59/07/24/841590724.db2.gz PMOCEHJDMYOOLO-ARFHVFGLSA-N 0 3 353.463 -0.023 20 0 FBADHN O=C(CCN1CCCC1=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001198744303 841590840 /nfs/dbraw/zinc/59/08/40/841590840.db2.gz PMOCEHJDMYOOLO-BZUAXINKSA-N 0 3 353.463 -0.023 20 0 FBADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1)C1CC1 ZINC001198744304 841591553 /nfs/dbraw/zinc/59/15/53/841591553.db2.gz PNYMUUYQFMYHAJ-BZUAXINKSA-N 0 3 353.463 -0.025 20 0 FBADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1)C1CC1 ZINC001198744305 841590793 /nfs/dbraw/zinc/59/07/93/841590793.db2.gz PNYMUUYQFMYHAJ-OAGGEKHMSA-N 0 3 353.463 -0.025 20 0 FBADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1)C1CCC1 ZINC001198744511 841591469 /nfs/dbraw/zinc/59/14/69/841591469.db2.gz UYDUFCWZFQLQEW-BZUAXINKSA-N 0 3 353.463 -0.025 20 0 FBADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1)C1CCC1 ZINC001198744512 841590931 /nfs/dbraw/zinc/59/09/31/841590931.db2.gz UYDUFCWZFQLQEW-OAGGEKHMSA-N 0 3 353.463 -0.025 20 0 FBADHN O=C(CCN1CCCC1=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001198744528 841591504 /nfs/dbraw/zinc/59/15/04/841591504.db2.gz VOKNPOKIUBFRKX-HZPDHXFCSA-N 0 3 353.463 -0.023 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CCN3CCCC3=O)C2)C1 ZINC001198744706 841590697 /nfs/dbraw/zinc/59/06/97/841590697.db2.gz WKYXXHMYGWTEBJ-QDIHITRGSA-N 0 3 353.463 -0.025 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CN(CC2CCC3(CC3)CC2)C[C@H]1O ZINC001198761158 841596219 /nfs/dbraw/zinc/59/62/19/841596219.db2.gz FKIQLLXTUYMBKO-ZIAGYGMSSA-N 0 3 359.492 -0.333 20 0 FBADHN CC1CC(CN2C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C2)C1 ZINC001198762606 841597204 /nfs/dbraw/zinc/59/72/04/841597204.db2.gz WXRMGCKQVOMNMW-NWINJMCUSA-N 0 3 361.508 -0.088 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1 ZINC001198786045 841594016 /nfs/dbraw/zinc/59/40/16/841594016.db2.gz VPHANWQKXVEWFT-HUUCEWRRSA-N 0 3 353.419 -0.176 20 0 FBADHN O=C(CNC(=O)c1ccsc1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001198799182 841602726 /nfs/dbraw/zinc/60/27/26/841602726.db2.gz IABVEQKNSXADSZ-IACUBPJLSA-N 0 3 353.444 -0.324 20 0 FBADHN O=C(CNC(=O)c1ccsc1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001198799183 841602611 /nfs/dbraw/zinc/60/26/11/841602611.db2.gz IABVEQKNSXADSZ-MRVWCRGKSA-N 0 3 353.444 -0.324 20 0 FBADHN COCNC(=S)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001198815341 841604661 /nfs/dbraw/zinc/60/46/61/841604661.db2.gz KNPKSBVVFSTQOS-UHFFFAOYSA-N 0 3 357.524 -0.365 20 0 FBADHN COCCCN1C[C@@H](O)[C@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001198827220 841599493 /nfs/dbraw/zinc/59/94/93/841599493.db2.gz UTPGEXUTFXLCKC-HUUCEWRRSA-N 0 3 351.403 -0.638 20 0 FBADHN C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2cnccn2)C1 ZINC001198827495 841600611 /nfs/dbraw/zinc/60/06/11/841600611.db2.gz ZQXPATKCCVEJTF-IACUBPJLSA-N 0 3 353.398 -0.494 20 0 FBADHN C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2cnccn2)C1 ZINC001198827497 841600788 /nfs/dbraw/zinc/60/07/88/841600788.db2.gz ZQXPATKCCVEJTF-MRVWCRGKSA-N 0 3 353.398 -0.494 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001198841484 841608946 /nfs/dbraw/zinc/60/89/46/841608946.db2.gz KGDBDOTWCNOPHS-BZUAXINKSA-N 0 3 357.451 -0.788 20 0 FBADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001198841485 841608645 /nfs/dbraw/zinc/60/86/45/841608645.db2.gz KGDBDOTWCNOPHS-OWCLPIDISA-N 0 3 357.451 -0.788 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001198862515 841607282 /nfs/dbraw/zinc/60/72/82/841607282.db2.gz GWJKPWCOPMVKIJ-BRWVUGGUSA-N 0 3 355.479 -0.315 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001198862518 841607720 /nfs/dbraw/zinc/60/77/20/841607720.db2.gz GWJKPWCOPMVKIJ-ZACQAIPSSA-N 0 3 355.479 -0.315 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001198870454 841610027 /nfs/dbraw/zinc/61/00/27/841610027.db2.gz LHOLBJLTQPVYJH-ZIAGYGMSSA-N 0 3 351.451 -0.177 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001198870637 841609725 /nfs/dbraw/zinc/60/97/25/841609725.db2.gz OIMJXPDEKNYZGE-ZIAGYGMSSA-N 0 3 351.451 -0.177 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC001198879261 841609930 /nfs/dbraw/zinc/60/99/30/841609930.db2.gz DRJXUCNYBALNEB-BFHYXJOUSA-N 0 3 353.419 -0.014 20 0 FBADHN CN(C)C[C@H]1COCCN1C(=O)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198893766 841608739 /nfs/dbraw/zinc/60/87/39/841608739.db2.gz VZLVQZGMPSABCR-HNNXBMFYSA-N 0 3 350.419 -0.003 20 0 FBADHN CN(C)C[C@@H]1COCCN1C(=O)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198893768 841608822 /nfs/dbraw/zinc/60/88/22/841608822.db2.gz VZLVQZGMPSABCR-OAHLLOKOSA-N 0 3 350.419 -0.003 20 0 FBADHN CN1CCC(CO)(NC(=O)c2cnc(=O)n(C3CCOCC3)c2)CC1 ZINC001198900983 841609547 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XYRMBUGMBKWVMV-OAGGEKHMSA-N 0 3 353.463 -0.121 20 0 FBADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CNC(=O)C3CCC3)C2)C1 ZINC001199052053 841625522 /nfs/dbraw/zinc/62/55/22/841625522.db2.gz ZRXBFMWSKYAKCU-AHNOJICISA-N 0 3 353.463 -0.121 20 0 FBADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001199064361 841627154 /nfs/dbraw/zinc/62/71/54/841627154.db2.gz HCRSXGVKGHDFLS-IAGOWNOFSA-N 0 3 351.447 -0.468 20 0 FBADHN CCCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001199064744 841628394 /nfs/dbraw/zinc/62/83/94/841628394.db2.gz PTMAVFHGRFRXAV-TZMCWYRMSA-N 0 3 352.439 -0.669 20 0 FBADHN CC(C)(C)CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001199071160 841628180 /nfs/dbraw/zinc/62/81/80/841628180.db2.gz LVMZKBKPUQMNQG-DGCLKSJQSA-N 0 3 352.439 -0.635 20 0 FBADHN CC(C)C[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001199071241 841627979 /nfs/dbraw/zinc/62/79/79/841627979.db2.gz PCVJFRLGOKUWLI-OUCADQQQSA-N 0 3 352.439 -0.780 20 0 FBADHN 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841631223 /nfs/dbraw/zinc/63/12/23/841631223.db2.gz GJHSVDDWLVLPJD-BFYDXBDKSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O)N1CCCCC1 ZINC001199095278 841631413 /nfs/dbraw/zinc/63/14/13/841631413.db2.gz GJHSVDDWLVLPJD-INMHGKMJSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1O ZINC001199095359 841631181 /nfs/dbraw/zinc/63/11/81/841631181.db2.gz HYAMKCRNIYYVGA-VXGBXAGGSA-N 0 3 368.400 -0.491 20 0 FBADHN CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001199095680 841631295 /nfs/dbraw/zinc/63/12/95/841631295.db2.gz JGXNYKXUISRZMY-BFYDXBDKSA-N 0 3 354.495 -0.206 20 0 FBADHN CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001199095684 841632095 /nfs/dbraw/zinc/63/20/95/841632095.db2.gz JGXNYKXUISRZMY-INMHGKMJSA-N 0 3 354.495 -0.206 20 0 FBADHN COc1coc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)cc1=O ZINC001199096255 841631517 /nfs/dbraw/zinc/63/15/17/841631517.db2.gz OAFZFNITFXKSQF-UKRRQHHQSA-N 0 3 353.419 -0.350 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@H]1O ZINC001199096868 841632157 /nfs/dbraw/zinc/63/21/57/841632157.db2.gz ULACBHDAJRTQFC-HUUCEWRRSA-N 0 3 363.524 -0.299 20 0 FBADHN Cc1csc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001199103581 841631632 /nfs/dbraw/zinc/63/16/32/841631632.db2.gz ANQHGEWNNRZYJG-CHWSQXEVSA-N 0 3 369.491 -0.108 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001199103587 841631494 /nfs/dbraw/zinc/63/14/94/841631494.db2.gz AOQHESSXKCWJMI-RBSFLKMASA-N 0 3 361.508 -0.687 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001199103589 841631569 /nfs/dbraw/zinc/63/15/69/841631569.db2.gz AOQHESSXKCWJMI-RRFJBIMHSA-N 0 3 361.508 -0.687 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O ZINC001199103626 841631356 /nfs/dbraw/zinc/63/13/56/841631356.db2.gz BBNIXXYQPOFNCY-HZPDHXFCSA-N 0 3 354.495 -0.110 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1O ZINC001199103675 841631899 /nfs/dbraw/zinc/63/18/99/841631899.db2.gz BOPGFIZDIXZXHK-VXGBXAGGSA-N 0 3 356.496 -0.394 20 0 FBADHN CCOc1nnc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001199103772 841631837 /nfs/dbraw/zinc/63/18/37/841631837.db2.gz CPNVVYAKDAMDDV-VXGBXAGGSA-N 0 3 357.480 -0.062 20 0 FBADHN CCCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001199103835 841631481 /nfs/dbraw/zinc/63/14/81/841631481.db2.gz DDDJKWKLIYCXEP-HUUCEWRRSA-N 0 3 352.483 -0.002 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)Nc2nccs2)C[C@H]1O ZINC001199103887 841631543 /nfs/dbraw/zinc/63/15/43/841631543.db2.gz DIHFTPIGUFSYOQ-JHJVBQTASA-N 0 3 369.491 -0.028 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)Nc2nccs2)C[C@H]1O ZINC001199103888 841631640 /nfs/dbraw/zinc/63/16/40/841631640.db2.gz DIHFTPIGUFSYOQ-YNEHKIRRSA-N 0 3 369.491 -0.028 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O ZINC001199103935 841631151 /nfs/dbraw/zinc/63/11/51/841631151.db2.gz DUYBFOVBQFLCQK-VXGBXAGGSA-N 0 3 355.464 -0.417 20 0 FBADHN Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1C1CC1 ZINC001199103956 841632128 /nfs/dbraw/zinc/63/21/28/841632128.db2.gz FRSQSWZCOQFTJD-HUUCEWRRSA-N 0 3 350.467 -0.077 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O ZINC001199103965 841631622 /nfs/dbraw/zinc/63/16/22/841631622.db2.gz GGJYUCAYEIUXMC-ZIAGYGMSSA-N 0 3 350.467 -0.384 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1O ZINC001199104004 841631430 /nfs/dbraw/zinc/63/14/30/841631430.db2.gz IELPYDAGKXXPRD-CHWSQXEVSA-N 0 3 353.471 -0.570 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@H]1O ZINC001199104045 841632063 /nfs/dbraw/zinc/63/20/63/841632063.db2.gz IUCNBYOOZNHWHX-VXGBXAGGSA-N 0 3 360.409 -0.455 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1O ZINC001199104059 841631817 /nfs/dbraw/zinc/63/18/17/841631817.db2.gz IYQCRUKSRNZRKJ-HUUCEWRRSA-N 0 3 352.435 -0.603 20 0 FBADHN Cc1nnc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001199104079 841631501 /nfs/dbraw/zinc/63/15/01/841631501.db2.gz JWZQPESJURDBLQ-VXGBXAGGSA-N 0 3 370.479 -0.713 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1O ZINC001199104380 841631769 /nfs/dbraw/zinc/63/17/69/841631769.db2.gz LIEJCBKQRHCJAU-IJLUTSLNSA-N 0 3 368.400 -0.445 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1O ZINC001199104382 841631690 /nfs/dbraw/zinc/63/16/90/841631690.db2.gz LIEJCBKQRHCJAU-QJPTWQEYSA-N 0 3 368.400 -0.445 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001199104414 841631107 /nfs/dbraw/zinc/63/11/07/841631107.db2.gz MAZCXCPLCIOAKA-FVQBIDKESA-N 0 3 354.495 -0.065 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001199104415 841631597 /nfs/dbraw/zinc/63/15/97/841631597.db2.gz MAZCXCPLCIOAKA-NUEKZKHPSA-N 0 3 354.495 -0.065 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O ZINC001199104417 841631971 /nfs/dbraw/zinc/63/19/71/841631971.db2.gz MHHAFLQSVOZVIF-HZPDHXFCSA-N 0 3 350.467 -0.310 20 0 FBADHN COCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001199104510 841631613 /nfs/dbraw/zinc/63/16/13/841631613.db2.gz NSDVLYDHXVXASI-RBSFLKMASA-N 0 3 358.483 -0.971 20 0 FBADHN COCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001199104515 841631560 /nfs/dbraw/zinc/63/15/60/841631560.db2.gz NSDVLYDHXVXASI-RRFJBIMHSA-N 0 3 358.483 -0.971 20 0 FBADHN CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1C ZINC001199104614 841631744 /nfs/dbraw/zinc/63/17/44/841631744.db2.gz PGRRPBBGKCHOFB-ZIAGYGMSSA-N 0 3 352.483 -0.060 20 0 FBADHN CC(C)Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001199104660 841631667 /nfs/dbraw/zinc/63/16/67/841631667.db2.gz RCKOBPOLBBTEFL-HUUCEWRRSA-N 0 3 352.483 -0.064 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001199104783 841632935 /nfs/dbraw/zinc/63/29/35/841632935.db2.gz SJESAQGQNKKGOS-ARFHVFGLSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001199104784 841633591 /nfs/dbraw/zinc/63/35/91/841633591.db2.gz SJESAQGQNKKGOS-BZUAXINKSA-N 0 3 354.495 -0.254 20 0 FBADHN Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)no1 ZINC001199104956 841632864 /nfs/dbraw/zinc/63/28/64/841632864.db2.gz XVACUYQZZCTHFS-CHWSQXEVSA-N 0 3 353.423 -0.577 20 0 FBADHN COc1ncc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)c(C)n1 ZINC001199105038 841633260 /nfs/dbraw/zinc/63/32/60/841633260.db2.gz ZGHYGWHWGTUNHY-HUUCEWRRSA-N 0 3 351.451 -0.205 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@H]1O ZINC001199111554 841638386 /nfs/dbraw/zinc/63/83/86/841638386.db2.gz APBGXJNNXXBPAV-HUUCEWRRSA-N 0 3 352.435 -0.251 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)C[C@H]1O ZINC001199111580 841638957 /nfs/dbraw/zinc/63/89/57/841638957.db2.gz BTSXDWYJBIRCSQ-IACUBPJLSA-N 0 3 351.455 -0.430 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C2CC2)C[C@H]1O ZINC001199111581 841638600 /nfs/dbraw/zinc/63/86/00/841638600.db2.gz BTSXDWYJBIRCSQ-MRVWCRGKSA-N 0 3 351.455 -0.430 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001199111607 841638680 /nfs/dbraw/zinc/63/86/80/841638680.db2.gz CZSIWVVTCPURGL-CHWSQXEVSA-N 0 3 353.471 -0.570 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001199111613 841638690 /nfs/dbraw/zinc/63/86/90/841638690.db2.gz DCBBTPGVLCJCJG-RBSFLKMASA-N 0 3 361.508 -0.687 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1O ZINC001199111614 841638609 /nfs/dbraw/zinc/63/86/09/841638609.db2.gz DCBBTPGVLCJCJG-RRFJBIMHSA-N 0 3 361.508 -0.687 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1O ZINC001199111620 841639084 /nfs/dbraw/zinc/63/90/84/841639084.db2.gz DNMKCEZAXCIYSZ-ZIAGYGMSSA-N 0 3 361.508 -0.687 20 0 FBADHN COCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)no1 ZINC001199111627 841639151 /nfs/dbraw/zinc/63/91/51/841639151.db2.gz DZPCAAAYAXAIOK-CHWSQXEVSA-N 0 3 355.439 -0.740 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)NCc2cccs2)C[C@H]1O ZINC001199111644 841638737 /nfs/dbraw/zinc/63/87/37/841638737.db2.gz FVNPPYYQAAGKPK-HUUCEWRRSA-N 0 3 368.503 -0.134 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111658 841638813 /nfs/dbraw/zinc/63/88/13/841638813.db2.gz GMMQOELBGDNMGX-JHJVBQTASA-N 0 3 371.400 -0.572 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111659 841638476 /nfs/dbraw/zinc/63/84/76/841638476.db2.gz GMMQOELBGDNMGX-YNEHKIRRSA-N 0 3 371.400 -0.572 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001199111682 841638858 /nfs/dbraw/zinc/63/88/58/841638858.db2.gz HHFBIKBWLPFBJN-ZIAGYGMSSA-N 0 3 356.492 -0.280 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1O ZINC001199111750 841638419 /nfs/dbraw/zinc/63/84/19/841638419.db2.gz KOCXAQCGWABHGG-CHWSQXEVSA-N 0 3 369.491 -0.393 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001199111810 841639325 /nfs/dbraw/zinc/63/93/25/841639325.db2.gz NBYCAAGJVURFDL-HUUCEWRRSA-N 0 3 361.508 -0.687 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001199111813 841638626 /nfs/dbraw/zinc/63/86/26/841638626.db2.gz NJALCTRIAZZRMP-ZIAGYGMSSA-N 0 3 357.499 -0.414 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001199111846 841638537 /nfs/dbraw/zinc/63/85/37/841638537.db2.gz OTYLWJABEROROW-BZUAXINKSA-N 0 3 352.479 -0.359 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001199111847 841638648 /nfs/dbraw/zinc/63/86/48/841638648.db2.gz OTYLWJABEROROW-OWCLPIDISA-N 0 3 352.479 -0.359 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001199111870 841638711 /nfs/dbraw/zinc/63/87/11/841638711.db2.gz PVYBFKXMTPEWOU-ZIAGYGMSSA-N 0 3 353.471 -0.525 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001199111871 841638556 /nfs/dbraw/zinc/63/85/56/841638556.db2.gz PWAZDMMGFWMCEY-QLFBSQMISA-N 0 3 354.495 -0.113 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001199111872 841638976 /nfs/dbraw/zinc/63/89/76/841638976.db2.gz PWAZDMMGFWMCEY-RBSFLKMASA-N 0 3 354.495 -0.113 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1O ZINC001199111994 841638915 /nfs/dbraw/zinc/63/89/15/841638915.db2.gz WGBZRCMJEJYGHT-ZIAGYGMSSA-N 0 3 350.467 -0.306 20 0 FBADHN COCc1noc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001199112044 841638894 /nfs/dbraw/zinc/63/88/94/841638894.db2.gz YMYCFSRIKJNBAU-JHJVBQTASA-N 0 3 355.439 -0.222 20 0 FBADHN COCc1noc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001199112045 841639378 /nfs/dbraw/zinc/63/93/78/841639378.db2.gz YMYCFSRIKJNBAU-YNEHKIRRSA-N 0 3 355.439 -0.222 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199119377 841639230 /nfs/dbraw/zinc/63/92/30/841639230.db2.gz BZVKJJRHBMHNCN-HZPDHXFCSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1O ZINC001199119382 841639102 /nfs/dbraw/zinc/63/91/02/841639102.db2.gz CDXQFDNGVXZFAG-ZIAGYGMSSA-N 0 3 350.467 -0.306 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001199119648 841633330 /nfs/dbraw/zinc/63/33/30/841633330.db2.gz OGZUWRSCRVDZSH-ARFHVFGLSA-N 0 3 354.495 -0.111 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001199119649 841633418 /nfs/dbraw/zinc/63/34/18/841633418.db2.gz OGZUWRSCRVDZSH-BZUAXINKSA-N 0 3 354.495 -0.111 20 0 FBADHN Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)on1 ZINC001199119722 841632693 /nfs/dbraw/zinc/63/26/93/841632693.db2.gz QZZHWDZVEBTDIL-CHWSQXEVSA-N 0 3 353.423 -0.577 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1O ZINC001199119787 841632803 /nfs/dbraw/zinc/63/28/03/841632803.db2.gz VBWANDUSVQSXLJ-HZPDHXFCSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O ZINC001199119822 841633173 /nfs/dbraw/zinc/63/31/73/841633173.db2.gz WTFJZNKQKJNXLD-GHMZBOCLSA-N 0 3 354.373 -0.834 20 0 FBADHN CO[C@H](C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001199119863 841633353 /nfs/dbraw/zinc/63/33/53/841633353.db2.gz YZAVVOWFSHRSRS-JHJVBQTASA-N 0 3 355.439 -0.222 20 0 FBADHN CO[C@@H](C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001199119864 841632789 /nfs/dbraw/zinc/63/27/89/841632789.db2.gz YZAVVOWFSHRSRS-YNEHKIRRSA-N 0 3 355.439 -0.222 20 0 FBADHN COCCc1noc(CN2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001199119882 841633070 /nfs/dbraw/zinc/63/30/70/841633070.db2.gz ZNEXWNJTXLEBFT-CHWSQXEVSA-N 0 3 355.439 -0.740 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O)N1CCCC1 ZINC001199127412 841633103 /nfs/dbraw/zinc/63/31/03/841633103.db2.gz BOQQTKSKBVKKOP-BFYDXBDKSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O)N1CCCC1 ZINC001199127413 841633042 /nfs/dbraw/zinc/63/30/42/841633042.db2.gz BOQQTKSKBVKKOP-INMHGKMJSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001199127434 841633516 /nfs/dbraw/zinc/63/35/16/841633516.db2.gz CJQYCCMLVSABCH-BFYDXBDKSA-N 0 3 354.495 -0.207 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001199127435 841633376 /nfs/dbraw/zinc/63/33/76/841633376.db2.gz CJQYCCMLVSABCH-INMHGKMJSA-N 0 3 354.495 -0.207 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O)N1CCCC1 ZINC001199127461 841633603 /nfs/dbraw/zinc/63/36/03/841633603.db2.gz DHRIZXMAKPZHOI-FMKPAKJESA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O)N1CCCC1 ZINC001199127462 841632832 /nfs/dbraw/zinc/63/28/32/841632832.db2.gz DHRIZXMAKPZHOI-IIAWOOMASA-N 0 3 350.467 -0.403 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001199127662 841632842 /nfs/dbraw/zinc/63/28/42/841632842.db2.gz IURSWJRZLBVMCY-BFYDXBDKSA-N 0 3 354.495 -0.254 20 0 FBADHN CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001199127665 841633277 /nfs/dbraw/zinc/63/32/77/841633277.db2.gz IURSWJRZLBVMCY-INMHGKMJSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O)N1CCCC1 ZINC001199128093 841634639 /nfs/dbraw/zinc/63/46/39/841634639.db2.gz NQIZDZWACVBLQZ-BZUAXINKSA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O)N1CCCC1 ZINC001199128095 841634658 /nfs/dbraw/zinc/63/46/58/841634658.db2.gz NQIZDZWACVBLQZ-OAGGEKHMSA-N 0 3 350.467 -0.403 20 0 FBADHN CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001199128331 841634689 /nfs/dbraw/zinc/63/46/89/841634689.db2.gz OPQXGZHUXZXRED-BFYDXBDKSA-N 0 3 354.495 -0.206 20 0 FBADHN CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001199128333 841634342 /nfs/dbraw/zinc/63/43/42/841634342.db2.gz OPQXGZHUXZXRED-INMHGKMJSA-N 0 3 354.495 -0.206 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O)N1CCCC1 ZINC001199128385 841634240 /nfs/dbraw/zinc/63/42/40/841634240.db2.gz QLZZJFVUMYGVCI-FMKPAKJESA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O)N1CCCC1 ZINC001199128387 841634729 /nfs/dbraw/zinc/63/47/29/841634729.db2.gz QLZZJFVUMYGVCI-IIAWOOMASA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O)N1CCCC1 ZINC001199128805 841634188 /nfs/dbraw/zinc/63/41/88/841634188.db2.gz VJBLGAIOESOJFY-BZUAXINKSA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O)N1CCCC1 ZINC001199128807 841634632 /nfs/dbraw/zinc/63/46/32/841634632.db2.gz VJBLGAIOESOJFY-OAGGEKHMSA-N 0 3 350.467 -0.403 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)N1CCCC1 ZINC001199129116 841634609 /nfs/dbraw/zinc/63/46/09/841634609.db2.gz YDFMUEUQHBAMFD-BFYDXBDKSA-N 0 3 352.479 -0.500 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)N1CCCC1 ZINC001199129118 841634616 /nfs/dbraw/zinc/63/46/16/841634616.db2.gz 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CCOCCOCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001199145589 841636495 /nfs/dbraw/zinc/63/64/95/841636495.db2.gz IQVLLRGNWWOERF-RRFJBIMHSA-N 0 3 357.451 -0.883 20 0 FBADHN COCCOCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001199330799 841656475 /nfs/dbraw/zinc/65/64/75/841656475.db2.gz HGWKJWIIZRHDKQ-RBSFLKMASA-N 0 3 357.451 -0.883 20 0 FBADHN COCCOCCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001199330800 841656939 /nfs/dbraw/zinc/65/69/39/841656939.db2.gz HGWKJWIIZRHDKQ-RRFJBIMHSA-N 0 3 357.451 -0.883 20 0 FBADHN CN1CCN(c2ccncc2C(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC001199357807 841657726 /nfs/dbraw/zinc/65/77/26/841657726.db2.gz VPDJGYFSMRUFNI-UHFFFAOYSA-N 0 3 353.448 -0.793 20 0 FBADHN CN1CCN(c2ccncc2C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001199358077 841658002 /nfs/dbraw/zinc/65/80/02/841658002.db2.gz XSAHZBPPRLRWDW-UHFFFAOYSA-N 0 3 367.475 -0.449 20 0 FBADHN CN1CCN(c2ccncc2C(=O)NC2CN(S(C)(=O)=O)C2)CC1 ZINC001199358655 841657701 /nfs/dbraw/zinc/65/77/01/841657701.db2.gz AGFAGFNMOJZKDF-UHFFFAOYSA-N 0 3 353.448 -0.793 20 0 FBADHN CN(C)S(=O)(=O)CCNC(=O)c1cnccc1N1CCN(C)CC1 ZINC001199358876 841657710 /nfs/dbraw/zinc/65/77/10/841657710.db2.gz KWBJEYJRKSGEAU-UHFFFAOYSA-N 0 3 355.464 -0.545 20 0 FBADHN CN1CCN(c2ccncc2C(=O)NCCN2CCCS2(=O)=O)CC1 ZINC001199359092 841657692 /nfs/dbraw/zinc/65/76/92/841657692.db2.gz HIMKUGDQPHVECU-UHFFFAOYSA-N 0 3 367.475 -0.401 20 0 FBADHN NC(=O)CCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001199429712 841662669 /nfs/dbraw/zinc/66/26/69/841662669.db2.gz OYWYEHXXUWWRHG-GHMZBOCLSA-N 0 3 355.357 -0.228 20 0 FBADHN NC(=O)CCCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001199430271 841661891 /nfs/dbraw/zinc/66/18/91/841661891.db2.gz VOJAXUCBQNQBPV-ZIAGYGMSSA-N 0 3 352.439 -0.735 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001199466025 841664680 /nfs/dbraw/zinc/66/46/80/841664680.db2.gz FRMPPYIIUJXKEJ-KFWWJZLASA-N 0 3 357.451 -0.740 20 0 FBADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001199466026 841664524 /nfs/dbraw/zinc/66/45/24/841664524.db2.gz FRMPPYIIUJXKEJ-RBSFLKMASA-N 0 3 357.451 -0.740 20 0 FBADHN O=C(CCNC(=O)[C@@H]1CCCO1)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001199466029 841664870 /nfs/dbraw/zinc/66/48/70/841664870.db2.gz FRXZJCNUFPARNP-KFWWJZLASA-N 0 3 359.442 -0.027 20 0 FBADHN O=C(CCNC(=O)[C@H]1CCCO1)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001199466030 841665078 /nfs/dbraw/zinc/66/50/78/841665078.db2.gz FRXZJCNUFPARNP-RBSFLKMASA-N 0 3 359.442 -0.027 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 ZINC001199467484 841666442 /nfs/dbraw/zinc/66/64/42/841666442.db2.gz SWPFDYSOEHFZDA-KFWWJZLASA-N 0 3 357.451 -0.740 20 0 FBADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001199467486 841666069 /nfs/dbraw/zinc/66/60/69/841666069.db2.gz SWPFDYSOEHFZDA-RBSFLKMASA-N 0 3 357.451 -0.740 20 0 FBADHN Cn1cc(CCC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)nn1 ZINC001199515277 841671476 /nfs/dbraw/zinc/67/14/76/841671476.db2.gz RZPFOUPZVCCLHD-ARFHVFGLSA-N 0 3 351.451 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-0.859 20 0 FBADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C2)cn1 ZINC001206965369 844017343 /nfs/dbraw/zinc/01/73/43/844017343.db2.gz ZHGNFKNCNIJRLG-UKRRQHHQSA-N 0 3 371.507 -0.179 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C2)n1 ZINC001206966840 844018306 /nfs/dbraw/zinc/01/83/06/844018306.db2.gz YMQOURRHYYREAV-JTNHKYCSSA-N 0 3 351.455 -0.222 20 0 FBADHN Cc1nc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)C[C@H](C)NC(N)=O)C2)n1 ZINC001206966841 844017803 /nfs/dbraw/zinc/01/78/03/844017803.db2.gz YMQOURRHYYREAV-UHIISALHSA-N 0 3 351.455 -0.222 20 0 FBADHN COCCn1cc(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2C)c(C)n1 ZINC001206969211 844017893 /nfs/dbraw/zinc/01/78/93/844017893.db2.gz NKVJNWYLUHCVOG-IVMMDQJWSA-N 0 3 354.451 -0.105 20 0 FBADHN COCCn1cc(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2C)c(C)n1 ZINC001206969212 844018521 /nfs/dbraw/zinc/01/85/21/844018521.db2.gz NKVJNWYLUHCVOG-XNRPHZJLSA-N 0 3 354.451 -0.105 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001206969397 844017749 /nfs/dbraw/zinc/01/77/49/844017749.db2.gz UZCWXTAUANPFLK-FVQBIDKESA-N 0 3 357.451 -0.619 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001206969398 844018083 /nfs/dbraw/zinc/01/80/83/844018083.db2.gz UZCWXTAUANPFLK-VNQPRFMTSA-N 0 3 357.451 -0.619 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001206970457 844019531 /nfs/dbraw/zinc/01/95/31/844019531.db2.gz SFAKPBWSORZDDW-MBNYWOFBSA-N 0 3 357.455 -0.978 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001206970458 844019101 /nfs/dbraw/zinc/01/91/01/844019101.db2.gz SFAKPBWSORZDDW-YRGRVCCFSA-N 0 3 357.455 -0.978 20 0 FBADHN COCCn1ncc(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2C)c1C ZINC001206970473 844019124 /nfs/dbraw/zinc/01/91/24/844019124.db2.gz SNZPUSHTLKPFGT-IVMMDQJWSA-N 0 3 354.451 -0.105 20 0 FBADHN COCCn1ncc(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2C)c1C ZINC001206970474 844019284 /nfs/dbraw/zinc/01/92/84/844019284.db2.gz SNZPUSHTLKPFGT-XNRPHZJLSA-N 0 3 354.451 -0.105 20 0 FBADHN C[C@@H](CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1C)NC(N)=O ZINC001206971318 844019258 /nfs/dbraw/zinc/01/92/58/844019258.db2.gz JKNHFXXUBXCAEL-HZSPNIEDSA-N 0 3 353.467 -0.118 20 0 FBADHN C[C@H](CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1C)NC(N)=O ZINC001206971319 844019642 /nfs/dbraw/zinc/01/96/42/844019642.db2.gz JKNHFXXUBXCAEL-MGPQQGTHSA-N 0 3 353.467 -0.118 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001206974454 844020799 /nfs/dbraw/zinc/02/07/99/844020799.db2.gz DVAJFELXVZBJQM-CHWSQXEVSA-N 0 3 355.435 -0.783 20 0 FBADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001206974907 844020251 /nfs/dbraw/zinc/02/02/51/844020251.db2.gz WHJVHQLJOZFXOJ-CHWSQXEVSA-N 0 3 353.467 -0.118 20 0 FBADHN C[C@@H]1CN(CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206977007 844020913 /nfs/dbraw/zinc/02/09/13/844020913.db2.gz OTVUDSYMLYFXMZ-QLFBSQMISA-N 0 3 352.439 -0.305 20 0 FBADHN C[C@@H]1CN(CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206977008 844020567 /nfs/dbraw/zinc/02/05/67/844020567.db2.gz OTVUDSYMLYFXMZ-RBSFLKMASA-N 0 3 352.439 -0.305 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206977867 844021037 /nfs/dbraw/zinc/02/10/37/844021037.db2.gz CBCMXCAMDXRAOD-GMTAPVOTSA-N 0 3 366.344 -0.951 20 0 FBADHN C[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206977868 844020632 /nfs/dbraw/zinc/02/06/32/844020632.db2.gz CBCMXCAMDXRAOD-OUAUKWLOSA-N 0 3 366.344 -0.951 20 0 FBADHN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001206978166 844019842 /nfs/dbraw/zinc/01/98/42/844019842.db2.gz PGNWKCGSADFTIA-IUODEOHRSA-N 0 3 354.451 -0.139 20 0 FBADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 ZINC001206978223 844020774 /nfs/dbraw/zinc/02/07/74/844020774.db2.gz RUVZNFDVBBXWQI-BYCMXARLSA-N 0 3 354.451 -0.140 20 0 FBADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 ZINC001206978224 844021116 /nfs/dbraw/zinc/02/11/16/844021116.db2.gz RUVZNFDVBBXWQI-KCPJHIHWSA-N 0 3 354.451 -0.140 20 0 FBADHN CCCCOCCN1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001206992775 844021738 /nfs/dbraw/zinc/02/17/38/844021738.db2.gz HGCIDKYDHAFRNQ-CHWSQXEVSA-N 0 3 352.439 -0.370 20 0 FBADHN C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001206992842 844022276 /nfs/dbraw/zinc/02/22/76/844022276.db2.gz KIZPCRUMYQLRFA-DGCLKSJQSA-N 0 3 350.423 -0.760 20 0 FBADHN CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001206993058 844022147 /nfs/dbraw/zinc/02/21/47/844022147.db2.gz PQSSLNKDFWFGDT-CHWSQXEVSA-N 0 3 352.439 -0.514 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207037149 844024167 /nfs/dbraw/zinc/02/41/67/844024167.db2.gz CZDNRFWZHSTTAM-UMVBOHGHSA-N 0 3 371.507 -0.273 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207037150 844023667 /nfs/dbraw/zinc/02/36/67/844023667.db2.gz CZDNRFWZHSTTAM-VNHYZAJKSA-N 0 3 371.507 -0.273 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001207037411 844023776 /nfs/dbraw/zinc/02/37/76/844023776.db2.gz IAAJJNNSNWSRGB-UMVBOHGHSA-N 0 3 371.507 -0.273 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001207037413 844024064 /nfs/dbraw/zinc/02/40/64/844024064.db2.gz IAAJJNNSNWSRGB-VNHYZAJKSA-N 0 3 371.507 -0.273 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1C ZINC001207037493 844024019 /nfs/dbraw/zinc/02/40/19/844024019.db2.gz KWSXDQZXVBUNBQ-HZSPNIEDSA-N 0 3 365.496 -0.586 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1C ZINC001207037494 844024460 /nfs/dbraw/zinc/02/44/60/844024460.db2.gz KWSXDQZXVBUNBQ-MGPQQGTHSA-N 0 3 365.496 -0.586 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C ZINC001207037570 844023756 /nfs/dbraw/zinc/02/37/56/844023756.db2.gz NNXCVUILQKBJFZ-HZSPNIEDSA-N 0 3 357.480 -0.353 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C ZINC001207037571 844023732 /nfs/dbraw/zinc/02/37/32/844023732.db2.gz NNXCVUILQKBJFZ-MGPQQGTHSA-N 0 3 357.480 -0.353 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CNC(=O)c1ccncc1 ZINC001207044723 844025679 /nfs/dbraw/zinc/02/56/79/844025679.db2.gz SIGSLLDFSLENOI-UKRRQHHQSA-N 0 3 350.419 -0.743 20 0 FBADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001207057000 844024929 /nfs/dbraw/zinc/02/49/29/844024929.db2.gz JBGXGMXYLSERKJ-FRRDWIJNSA-N 0 3 354.455 -0.586 20 0 FBADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001207057001 844025643 /nfs/dbraw/zinc/02/56/43/844025643.db2.gz JBGXGMXYLSERKJ-JHJVBQTASA-N 0 3 354.455 -0.586 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001207058656 844025797 /nfs/dbraw/zinc/02/57/97/844025797.db2.gz YDTXTHVJKXETBU-CHWSQXEVSA-N 0 3 354.455 -0.584 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001207065397 844024781 /nfs/dbraw/zinc/02/47/81/844024781.db2.gz CGBYSRNAICJMLB-UMVBOHGHSA-N 0 3 351.451 -0.450 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001207065398 844024992 /nfs/dbraw/zinc/02/49/92/844024992.db2.gz CGBYSRNAICJMLB-VNHYZAJKSA-N 0 3 351.451 -0.450 20 0 FBADHN Cc1occc1C(=O)NCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001207066640 844026802 /nfs/dbraw/zinc/02/68/02/844026802.db2.gz RKEQYUSCHLWDNF-IUODEOHRSA-N 0 3 353.419 -0.237 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207067278 844026772 /nfs/dbraw/zinc/02/67/72/844026772.db2.gz YOPGUANMOBSQKC-UMVBOHGHSA-N 0 3 351.451 -0.450 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207067280 844025861 /nfs/dbraw/zinc/02/58/61/844025861.db2.gz YOPGUANMOBSQKC-VNHYZAJKSA-N 0 3 351.451 -0.450 20 0 FBADHN CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001207078988 844026044 /nfs/dbraw/zinc/02/60/44/844026044.db2.gz QVJAGNMVGVMABB-UMVBOHGHSA-N 0 3 356.467 -0.510 20 0 FBADHN CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001207078990 844026291 /nfs/dbraw/zinc/02/62/91/844026291.db2.gz QVJAGNMVGVMABB-VNHYZAJKSA-N 0 3 356.467 -0.510 20 0 FBADHN C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001207079703 844027134 /nfs/dbraw/zinc/02/71/34/844027134.db2.gz ZBZFUVQUHHKUEJ-UMVBOHGHSA-N 0 3 353.419 -0.157 20 0 FBADHN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001207079705 844027641 /nfs/dbraw/zinc/02/76/41/844027641.db2.gz ZBZFUVQUHHKUEJ-VNHYZAJKSA-N 0 3 353.419 -0.157 20 0 FBADHN C[C@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001207084402 844027295 /nfs/dbraw/zinc/02/72/95/844027295.db2.gz AIUWHJRVYBVEJZ-GRYCIOLGSA-N 0 3 369.384 -0.111 20 0 FBADHN C[C@@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001207084403 844027448 /nfs/dbraw/zinc/02/74/48/844027448.db2.gz AIUWHJRVYBVEJZ-IJLUTSLNSA-N 0 3 369.384 -0.111 20 0 FBADHN C[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1nccn1 ZINC001207152807 844029099 /nfs/dbraw/zinc/02/90/99/844029099.db2.gz FYGDJPXEZCDHLK-GRYCIOLGSA-N 0 3 365.356 -0.346 20 0 FBADHN C[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1nccn1 ZINC001207152810 844028803 /nfs/dbraw/zinc/02/88/03/844028803.db2.gz FYGDJPXEZCDHLK-IJLUTSLNSA-N 0 3 365.356 -0.346 20 0 FBADHN COC(CN1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1)OC ZINC001207252933 844031329 /nfs/dbraw/zinc/03/13/29/844031329.db2.gz CNJBCWOGVCNHCE-CHWSQXEVSA-N 0 3 363.480 -0.581 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001207262271 844030429 /nfs/dbraw/zinc/03/04/29/844030429.db2.gz GSIAKCLRAVSNMS-FRRDWIJNSA-N 0 3 359.446 -0.442 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001207262272 844030753 /nfs/dbraw/zinc/03/07/53/844030753.db2.gz GSIAKCLRAVSNMS-JHJVBQTASA-N 0 3 359.446 -0.442 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001207262275 844030566 /nfs/dbraw/zinc/03/05/66/844030566.db2.gz GUNCANBRLBLLQX-HZSPNIEDSA-N 0 3 366.503 -0.348 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001207262276 844030831 /nfs/dbraw/zinc/03/08/31/844030831.db2.gz GUNCANBRLBLLQX-MGPQQGTHSA-N 0 3 366.503 -0.348 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001207274488 844032278 /nfs/dbraw/zinc/03/22/78/844032278.db2.gz UIBXBGWWEBKVIZ-BPLDGKMQSA-N 0 3 354.451 -0.946 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001207274489 844031699 /nfs/dbraw/zinc/03/16/99/844031699.db2.gz UIBXBGWWEBKVIZ-VHDGCEQUSA-N 0 3 354.451 -0.946 20 0 FBADHN CC(C)CN1C[C@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2C)CC1=O ZINC001207283706 844031682 /nfs/dbraw/zinc/03/16/82/844031682.db2.gz FISBPZJCVNQUKA-BZUAXINKSA-N 0 3 355.479 -0.064 20 0 FBADHN CC(C)CN1C[C@@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2C)CC1=O ZINC001207283707 844032584 /nfs/dbraw/zinc/03/25/84/844032584.db2.gz FISBPZJCVNQUKA-OWCLPIDISA-N 0 3 355.479 -0.064 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001207283927 844031461 /nfs/dbraw/zinc/03/14/61/844031461.db2.gz KGHFQHJZQIOXBG-TZMCWYRMSA-N 0 3 357.480 -0.662 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207284068 844031511 /nfs/dbraw/zinc/03/15/11/844031511.db2.gz NRYCDYQBXIUBPJ-TZMCWYRMSA-N 0 3 357.480 -0.662 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001207284287 844032355 /nfs/dbraw/zinc/03/23/55/844032355.db2.gz RERDQTHZCINOQQ-TZMCWYRMSA-N 0 3 370.475 -0.739 20 0 FBADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)CC)C2)cn1 ZINC001207284288 844032918 /nfs/dbraw/zinc/03/29/18/844032918.db2.gz RFFUTQYLKRGSNZ-UKRRQHHQSA-N 0 3 371.507 -0.179 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1C ZINC001207284753 844032966 /nfs/dbraw/zinc/03/29/66/844032966.db2.gz ZDPWFNVFPUFBRU-CHWSQXEVSA-N 0 3 351.469 -0.975 20 0 FBADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207289784 844032833 /nfs/dbraw/zinc/03/28/33/844032833.db2.gz DTODVIUCKDAKBC-TZMCWYRMSA-N 0 3 370.475 -0.739 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1C ZINC001207289993 844032990 /nfs/dbraw/zinc/03/29/90/844032990.db2.gz KSUNUJKDAMSEKF-FRRDWIJNSA-N 0 3 370.479 -0.859 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001207289995 844032807 /nfs/dbraw/zinc/03/28/07/844032807.db2.gz KSUNUJKDAMSEKF-JHJVBQTASA-N 0 3 370.479 -0.859 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1C ZINC001207290312 844034255 /nfs/dbraw/zinc/03/42/55/844034255.db2.gz ZTZUDDDKZAJWMF-IUODEOHRSA-N 0 3 371.507 -0.124 20 0 FBADHN Cc1cc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C2)n1 ZINC001207297809 844035019 /nfs/dbraw/zinc/03/50/19/844035019.db2.gz HKXFAKJGWUJGMC-IUODEOHRSA-N 0 3 371.507 -0.124 20 0 FBADHN C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207297927 844034780 /nfs/dbraw/zinc/03/47/80/844034780.db2.gz IZHZTPREHGMXJO-TZMCWYRMSA-N 0 3 357.480 -0.662 20 0 FBADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207298893 844035305 /nfs/dbraw/zinc/03/53/05/844035305.db2.gz QSRZSRNUKOUDCB-TZMCWYRMSA-N 0 3 370.475 -0.787 20 0 FBADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C2)cn1 ZINC001207298957 844035975 /nfs/dbraw/zinc/03/59/75/844035975.db2.gz TWZCFQXSTIMWMY-UKRRQHHQSA-N 0 3 371.507 -0.179 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207298965 844035331 /nfs/dbraw/zinc/03/53/31/844035331.db2.gz UHDXSKKHRFKGSS-FRRDWIJNSA-N 0 3 370.479 -0.859 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207298966 844036338 /nfs/dbraw/zinc/03/63/38/844036338.db2.gz UHDXSKKHRFKGSS-JHJVBQTASA-N 0 3 370.479 -0.859 20 0 FBADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207299062 844035709 /nfs/dbraw/zinc/03/57/09/844035709.db2.gz VLOXGDPCMCFHJZ-TZMCWYRMSA-N 0 3 357.480 -0.662 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207299283 844035539 /nfs/dbraw/zinc/03/55/39/844035539.db2.gz XQPFPDQYRIHMHN-CHWSQXEVSA-N 0 3 351.469 -0.975 20 0 FBADHN CN(C)C(=O)CO[C@@H]1CN(CC(C)(C)N2CCOCC2)[C@@H]2COC[C@H]12 ZINC001207302068 844035928 /nfs/dbraw/zinc/03/59/28/844035928.db2.gz FTVDOHZHLGHNNH-ARFHVFGLSA-N 0 3 355.479 -0.099 20 0 FBADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C2)cn1 ZINC001207306304 844037213 /nfs/dbraw/zinc/03/72/13/844037213.db2.gz GYSWUYJIIBUUGT-UKRRQHHQSA-N 0 3 371.507 -0.227 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207306632 844037081 /nfs/dbraw/zinc/03/70/81/844037081.db2.gz KFGHZBOPDQXXIW-UKRRQHHQSA-N 0 3 351.451 -0.496 20 0 FBADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207306781 844037003 /nfs/dbraw/zinc/03/70/03/844037003.db2.gz OHGJWOMJNGNGGY-TZMCWYRMSA-N 0 3 357.480 -0.710 20 0 FBADHN C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207307229 844036660 /nfs/dbraw/zinc/03/66/60/844036660.db2.gz SMFWXQCULRILRJ-TZMCWYRMSA-N 0 3 357.480 -0.710 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001207307655 844036750 /nfs/dbraw/zinc/03/67/50/844036750.db2.gz YXWAWNMVLFQGBL-UKRRQHHQSA-N 0 3 351.451 -0.496 20 0 FBADHN C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207314455 844038496 /nfs/dbraw/zinc/03/84/96/844038496.db2.gz HNOZOGHBSCPFKN-FRRDWIJNSA-N 0 3 370.479 -0.907 20 0 FBADHN C[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207314458 844039083 /nfs/dbraw/zinc/03/90/83/844039083.db2.gz HNOZOGHBSCPFKN-JHJVBQTASA-N 0 3 370.479 -0.907 20 0 FBADHN Cc1cc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C2)n1 ZINC001207314927 844038191 /nfs/dbraw/zinc/03/81/91/844038191.db2.gz OJLNTVHEPDMSSS-IUODEOHRSA-N 0 3 371.507 -0.172 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001207323370 844038742 /nfs/dbraw/zinc/03/87/42/844038742.db2.gz DCKSUNRDZNCFQB-HZSPNIEDSA-N 0 3 355.435 -0.377 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001207323372 844038792 /nfs/dbraw/zinc/03/87/92/844038792.db2.gz DCKSUNRDZNCFQB-MGPQQGTHSA-N 0 3 355.435 -0.377 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207330657 844040028 /nfs/dbraw/zinc/04/00/28/844040028.db2.gz FKDZLOCEQVJXKL-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001207331375 844039612 /nfs/dbraw/zinc/03/96/12/844039612.db2.gz SIGIRLBGMRMAQA-ZIAGYGMSSA-N 0 3 352.435 -0.592 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001207331546 844039867 /nfs/dbraw/zinc/03/98/67/844039867.db2.gz ZKYPDEXCQOJFPZ-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001207336273 844039814 /nfs/dbraw/zinc/03/98/14/844039814.db2.gz GQXSGYSAXINOLQ-MCIONIFRSA-N 0 3 353.467 -0.247 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001207336289 844040193 /nfs/dbraw/zinc/04/01/93/844040193.db2.gz GQXSGYSAXINOLQ-MGPQQGTHSA-N 0 3 353.467 -0.247 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001207337490 844039267 /nfs/dbraw/zinc/03/92/67/844039267.db2.gz SFGPPNUQSAMXPR-KFWWJZLASA-N 0 3 360.524 -0.154 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001207337491 844040430 /nfs/dbraw/zinc/04/04/30/844040430.db2.gz SFGPPNUQSAMXPR-RBSFLKMASA-N 0 3 360.524 -0.154 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC001207344078 844040889 /nfs/dbraw/zinc/04/08/89/844040889.db2.gz SMIVNKNSAFWABE-ZIAGYGMSSA-N 0 3 355.435 -0.639 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001207364639 844040643 /nfs/dbraw/zinc/04/06/43/844040643.db2.gz FFQHEVDEIKMGKW-ZIAGYGMSSA-N 0 3 363.480 -0.879 20 0 FBADHN C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001207365141 844040616 /nfs/dbraw/zinc/04/06/16/844040616.db2.gz PZRNWZGTAFLLCH-UKRRQHHQSA-N 0 3 359.492 -0.115 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001207376694 844041727 /nfs/dbraw/zinc/04/17/27/844041727.db2.gz SQUMGWLPILONEL-GMTAPVOTSA-N 0 3 370.372 -0.708 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001207376695 844042604 /nfs/dbraw/zinc/04/26/04/844042604.db2.gz SQUMGWLPILONEL-OUAUKWLOSA-N 0 3 370.372 -0.708 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCOC[C@@H]2CCCCO2)C[C@H]1C ZINC001207384436 844041803 /nfs/dbraw/zinc/04/18/03/844041803.db2.gz OJQJZBDSQACXGV-QLFBSQMISA-N 0 3 356.467 -0.062 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCOC[C@H]2CCCCO2)C[C@H]1C ZINC001207384460 844042148 /nfs/dbraw/zinc/04/21/48/844042148.db2.gz OJQJZBDSQACXGV-RBSFLKMASA-N 0 3 356.467 -0.062 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001207432576 844043025 /nfs/dbraw/zinc/04/30/25/844043025.db2.gz LQOSDVBKNVANJP-QLFBSQMISA-N 0 3 362.442 -0.035 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001207432579 844043132 /nfs/dbraw/zinc/04/31/32/844043132.db2.gz LQOSDVBKNVANJP-RBSFLKMASA-N 0 3 362.442 -0.035 20 0 FBADHN CS(=O)(=O)N1CCC(CN2CCN(CCN3CCOCC3)CC2)CC1 ZINC001207447024 844044197 /nfs/dbraw/zinc/04/41/97/844044197.db2.gz SAQBYMFQZHJLJD-UHFFFAOYSA-N 0 3 374.551 -0.392 20 0 FBADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001207453821 844044281 /nfs/dbraw/zinc/04/42/81/844044281.db2.gz NMTRLLHJOJQYJO-UKRRQHHQSA-N 0 3 369.491 -0.186 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001207454454 844044591 /nfs/dbraw/zinc/04/45/91/844044591.db2.gz XJNGWMNXIQMFKT-TZMCWYRMSA-N 0 3 357.480 -0.330 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454460 844044360 /nfs/dbraw/zinc/04/43/60/844044360.db2.gz XPCDPNWSRVNJAN-CZUORRHYSA-N 0 3 351.451 -0.069 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001207530187 844045912 /nfs/dbraw/zinc/04/59/12/844045912.db2.gz JUKKUKYMNLQAIN-BPLDGKMQSA-N 0 3 354.451 -0.898 20 0 FBADHN CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001207530188 844045937 /nfs/dbraw/zinc/04/59/37/844045937.db2.gz JUKKUKYMNLQAIN-VHDGCEQUSA-N 0 3 354.451 -0.898 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001207530757 844045383 /nfs/dbraw/zinc/04/53/83/844045383.db2.gz MFPIFYMGRIIKOQ-IVMMDQJWSA-N 0 3 355.435 -0.014 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001207530765 844045800 /nfs/dbraw/zinc/04/58/00/844045800.db2.gz MFPIFYMGRIIKOQ-XNRPHZJLSA-N 0 3 355.435 -0.014 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001207543446 844045422 /nfs/dbraw/zinc/04/54/22/844045422.db2.gz PHMLCYOXRGQKEK-FRRDWIJNSA-N 0 3 353.467 -0.249 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001207543447 844045454 /nfs/dbraw/zinc/04/54/54/844045454.db2.gz PHMLCYOXRGQKEK-JHJVBQTASA-N 0 3 353.467 -0.249 20 0 FBADHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001207545098 844045777 /nfs/dbraw/zinc/04/57/77/844045777.db2.gz FMUVQNPLACNMHH-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001207545348 844045514 /nfs/dbraw/zinc/04/55/14/844045514.db2.gz QMZOZYBSJXKPIQ-CHWSQXEVSA-N 0 3 353.467 -0.247 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001207545482 844045969 /nfs/dbraw/zinc/04/59/69/844045969.db2.gz YFLVHTMUFGXBHQ-ZIAGYGMSSA-N 0 3 360.524 -0.201 20 0 FBADHN CCOCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001207547116 844047853 /nfs/dbraw/zinc/04/78/53/844047853.db2.gz LOGKVVUFSRPMNO-FRFSOERESA-N 0 3 354.495 -0.084 20 0 FBADHN CCOCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001207547117 844046493 /nfs/dbraw/zinc/04/64/93/844046493.db2.gz LOGKVVUFSRPMNO-UNEWFSDZSA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001207547207 844046689 /nfs/dbraw/zinc/04/66/89/844046689.db2.gz OSQQLBABNWWRTF-BZUAXINKSA-N 0 3 353.467 -0.741 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H](Cn1cccn1)N(C)C ZINC001207547208 844047598 /nfs/dbraw/zinc/04/75/98/844047598.db2.gz 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CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001207550799 844046954 /nfs/dbraw/zinc/04/69/54/844046954.db2.gz JOFRHVFKBFZGBW-UXIGCNINSA-N 0 3 353.467 -0.391 20 0 FBADHN COCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001207550928 844047883 /nfs/dbraw/zinc/04/78/83/844047883.db2.gz NUSXDSYYXUZSGZ-FRFSOERESA-N 0 3 354.495 -0.084 20 0 FBADHN COCCCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001207550929 844047532 /nfs/dbraw/zinc/04/75/32/844047532.db2.gz NUSXDSYYXUZSGZ-UNEWFSDZSA-N 0 3 354.495 -0.084 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001207551019 844046619 /nfs/dbraw/zinc/04/66/19/844046619.db2.gz QMXCEQLCKKZBMZ-BPLDGKMQSA-N 0 3 360.524 -0.346 20 0 FBADHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001207551020 844047164 /nfs/dbraw/zinc/04/71/64/844047164.db2.gz QMXCEQLCKKZBMZ-YUELXQCFSA-N 0 3 360.524 -0.346 20 0 FBADHN C[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C 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FBADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001207859606 844068117 /nfs/dbraw/zinc/06/81/17/844068117.db2.gz VGDQKALJNYZDMB-MBNYWOFBSA-N 0 3 351.403 -0.090 20 0 FBADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001207859610 844068593 /nfs/dbraw/zinc/06/85/93/844068593.db2.gz VGDQKALJNYZDMB-YRGRVCCFSA-N 0 3 351.403 -0.090 20 0 FBADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001207866001 844067867 /nfs/dbraw/zinc/06/78/67/844067867.db2.gz QRLTTYGDVOMOFO-GRYCIOLGSA-N 0 3 366.447 -0.219 20 0 FBADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001207866006 844067625 /nfs/dbraw/zinc/06/76/25/844067625.db2.gz QRLTTYGDVOMOFO-IJLUTSLNSA-N 0 3 366.447 -0.219 20 0 FBADHN COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001207871216 844067463 /nfs/dbraw/zinc/06/74/63/844067463.db2.gz GLKMXCXSORILEJ-IVMMDQJWSA-N 0 3 352.435 -0.141 20 0 FBADHN COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001207871217 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FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001207882852 844069448 /nfs/dbraw/zinc/06/94/48/844069448.db2.gz PWGUBEFDWDXSQG-CHWSQXEVSA-N 0 3 354.407 -0.952 20 0 FBADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1cnc2sccn2c1=O ZINC001207890844 844069927 /nfs/dbraw/zinc/06/99/27/844069927.db2.gz PCSCIQUDCSQDRP-DGCLKSJQSA-N 0 3 366.443 -0.185 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001207893896 844070227 /nfs/dbraw/zinc/07/02/27/844070227.db2.gz WQEULTNHECWHKU-QLFBSQMISA-N 0 3 356.467 -0.123 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001207893897 844070250 /nfs/dbraw/zinc/07/02/50/844070250.db2.gz WQEULTNHECWHKU-RBSFLKMASA-N 0 3 356.467 -0.123 20 0 FBADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001207901888 844071936 /nfs/dbraw/zinc/07/19/36/844071936.db2.gz KZEKLVKJPAUUDY-ZIAGYGMSSA-N 0 3 355.435 -0.375 20 0 FBADHN CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001207908194 844071652 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CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC001214280000 844456053 /nfs/dbraw/zinc/45/60/53/844456053.db2.gz IWUYWNAFZUGXGR-IJLUTSLNSA-N 0 3 350.423 -0.296 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC001214280341 844455837 /nfs/dbraw/zinc/45/58/37/844455837.db2.gz QTTFLYVDZGIBAS-VXGBXAGGSA-N 0 3 350.423 -0.294 20 0 FBADHN CCCOCC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001214280350 844456226 /nfs/dbraw/zinc/45/62/26/844456226.db2.gz QYZFVMYYRLCWPZ-TZMCWYRMSA-N 0 3 352.435 -0.553 20 0 FBADHN CCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001214282293 844455883 /nfs/dbraw/zinc/45/58/83/844455883.db2.gz FOTAJYQCOIROPD-HZSPNIEDSA-N 0 3 356.467 -0.558 20 0 FBADHN CCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001214282294 844456169 /nfs/dbraw/zinc/45/61/69/844456169.db2.gz FOTAJYQCOIROPD-MGPQQGTHSA-N 0 3 356.467 -0.558 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C ZINC001214287735 844456345 /nfs/dbraw/zinc/45/63/45/844456345.db2.gz AMOAQXQMFHURDK-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C ZINC001214287943 844456272 /nfs/dbraw/zinc/45/62/72/844456272.db2.gz IJNNOXXRVWJKGM-DGCLKSJQSA-N 0 3 350.423 -0.755 20 0 FBADHN COCCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001214290208 844456144 /nfs/dbraw/zinc/45/61/44/844456144.db2.gz DJFYXDYFWWGGIP-ZIAGYGMSSA-N 0 3 354.451 -0.802 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C ZINC001214290622 844455861 /nfs/dbraw/zinc/45/58/61/844455861.db2.gz XWFNXTSMXJMTJN-NQBHXWOUSA-N 0 3 350.423 -0.757 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C ZINC001214290623 844455976 /nfs/dbraw/zinc/45/59/76/844455976.db2.gz XWFNXTSMXJMTJN-NTZNESFSSA-N 0 3 350.423 -0.757 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001214299775 844456130 /nfs/dbraw/zinc/45/61/30/844456130.db2.gz UJVYXYHIKCECOO-MBNYWOFBSA-N 0 3 352.435 -0.162 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001214299776 844456325 /nfs/dbraw/zinc/45/63/25/844456325.db2.gz UJVYXYHIKCECOO-YRGRVCCFSA-N 0 3 352.435 -0.162 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C ZINC001214301849 844456096 /nfs/dbraw/zinc/45/60/96/844456096.db2.gz MHFHSOFOVJYFBI-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN CO[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001214302171 844456192 /nfs/dbraw/zinc/45/61/92/844456192.db2.gz VCNRKGDGLOMFBF-MBNYWOFBSA-N 0 3 352.435 -0.555 20 0 FBADHN CO[C@H](C)CC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001214302172 844457300 /nfs/dbraw/zinc/45/73/00/844457300.db2.gz VCNRKGDGLOMFBF-YRGRVCCFSA-N 0 3 352.435 -0.555 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001214315634 844457367 /nfs/dbraw/zinc/45/73/67/844457367.db2.gz VPKQPBOFOQUMOU-GRYCIOLGSA-N 0 3 355.439 -0.817 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001214315635 844457340 /nfs/dbraw/zinc/45/73/40/844457340.db2.gz VPKQPBOFOQUMOU-IJLUTSLNSA-N 0 3 355.439 -0.817 20 0 FBADHN CCOCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001214317557 844457349 /nfs/dbraw/zinc/45/73/49/844457349.db2.gz INPFSLCRHUKBPW-TZMCWYRMSA-N 0 3 352.435 -0.553 20 0 FBADHN CCOCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001214317768 844457235 /nfs/dbraw/zinc/45/72/35/844457235.db2.gz RWVYRLJOOQYUSW-HZSPNIEDSA-N 0 3 356.467 -0.558 20 0 FBADHN CCOCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001214317769 844457005 /nfs/dbraw/zinc/45/70/05/844457005.db2.gz RWVYRLJOOQYUSW-MGPQQGTHSA-N 0 3 356.467 -0.558 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001214320327 844456926 /nfs/dbraw/zinc/45/69/26/844456926.db2.gz QJLMVHKJNMEVRP-OPRDCNLKSA-N 0 3 350.341 -0.620 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214320483 844457324 /nfs/dbraw/zinc/45/73/24/844457324.db2.gz SSSBVRLTNQZEDR-GMTAPVOTSA-N 0 3 364.368 -0.278 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C)C(=O)N(C)C ZINC001214320492 844456937 /nfs/dbraw/zinc/45/69/37/844456937.db2.gz TYNWXDYNGYFAHD-GRYCIOLGSA-N 0 3 351.407 -0.682 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C)C(=O)N(C)C ZINC001214320493 844457205 /nfs/dbraw/zinc/45/72/05/844457205.db2.gz TYNWXDYNGYFAHD-IJLUTSLNSA-N 0 3 351.407 -0.682 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001214322357 844456887 /nfs/dbraw/zinc/45/68/87/844456887.db2.gz AGMOQALLJYNPTH-ZIAGYGMSSA-N 0 3 354.451 -0.802 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001214322380 844457215 /nfs/dbraw/zinc/45/72/15/844457215.db2.gz BJGWSZBQZCLQRJ-VXGBXAGGSA-N 0 3 355.439 -0.815 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001214322617 844457047 /nfs/dbraw/zinc/45/70/47/844457047.db2.gz NSAHZMDLGGTJET-ZIAGYGMSSA-N 0 3 356.467 -0.508 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001214322739 844457011 /nfs/dbraw/zinc/45/70/11/844457011.db2.gz UFRHZFLIFOMJDH-ZIAGYGMSSA-N 0 3 356.467 -0.508 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C)C(=O)N(C)C ZINC001214325202 844456992 /nfs/dbraw/zinc/45/69/92/844456992.db2.gz SXMLAVOFIJKAEQ-GRYCIOLGSA-N 0 3 367.475 -0.214 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C)C(=O)N(C)C ZINC001214325203 844457316 /nfs/dbraw/zinc/45/73/16/844457316.db2.gz SXMLAVOFIJKAEQ-IJLUTSLNSA-N 0 3 367.475 -0.214 20 0 FBADHN COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001214335693 844458578 /nfs/dbraw/zinc/45/85/78/844458578.db2.gz GGCUWNFOFQUFAB-MBNYWOFBSA-N 0 3 352.435 -0.697 20 0 FBADHN COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001214335694 844458112 /nfs/dbraw/zinc/45/81/12/844458112.db2.gz GGCUWNFOFQUFAB-YRGRVCCFSA-N 0 3 352.435 -0.697 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001214337686 844458427 /nfs/dbraw/zinc/45/84/27/844458427.db2.gz AHZPEDQCHXBMAV-TZMCWYRMSA-N 0 3 354.451 -0.756 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C ZINC001214337747 844458062 /nfs/dbraw/zinc/45/80/62/844458062.db2.gz CPCZEJMBAKBQJM-GRYCIOLGSA-N 0 3 355.439 -0.817 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C ZINC001214337748 844457992 /nfs/dbraw/zinc/45/79/92/844457992.db2.gz CPCZEJMBAKBQJM-IJLUTSLNSA-N 0 3 355.439 -0.817 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001214338199 844458524 /nfs/dbraw/zinc/45/85/24/844458524.db2.gz LFMJSGWOKMVPQW-NXEZZACHSA-N 0 3 352.357 -0.372 20 0 FBADHN CSC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001214340508 844458169 /nfs/dbraw/zinc/45/81/69/844458169.db2.gz ANHJDMANGOZSGZ-FRRDWIJNSA-N 0 3 356.492 -0.620 20 0 FBADHN CSC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001214340509 844458596 /nfs/dbraw/zinc/45/85/96/844458596.db2.gz ANHJDMANGOZSGZ-JHJVBQTASA-N 0 3 356.492 -0.620 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C ZINC001214346647 844458040 /nfs/dbraw/zinc/45/80/40/844458040.db2.gz CWGMOKPZZQCROB-IUODEOHRSA-N 0 3 351.451 -0.069 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C ZINC001214346787 844458029 /nfs/dbraw/zinc/45/80/29/844458029.db2.gz HCMSQHZYVDGGMJ-IUODEOHRSA-N 0 3 351.451 -0.069 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C ZINC001214347274 844458586 /nfs/dbraw/zinc/45/85/86/844458586.db2.gz SMJWVTVOKJZXQS-ZWNOBZJWSA-N 0 3 350.423 -0.376 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001214349525 844458241 /nfs/dbraw/zinc/45/82/41/844458241.db2.gz DBOKYIZBFNGAGT-HZSPNIEDSA-N 0 3 354.451 -0.756 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001214349526 844458293 /nfs/dbraw/zinc/45/82/93/844458293.db2.gz DBOKYIZBFNGAGT-MGPQQGTHSA-N 0 3 354.451 -0.756 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001214349603 844458261 /nfs/dbraw/zinc/45/82/61/844458261.db2.gz HBKMGWGAHZTDGA-HZSPNIEDSA-N 0 3 354.451 -0.804 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001214349604 844458074 /nfs/dbraw/zinc/45/80/74/844458074.db2.gz HBKMGWGAHZTDGA-MGPQQGTHSA-N 0 3 354.451 -0.804 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C ZINC001214349606 844457981 /nfs/dbraw/zinc/45/79/81/844457981.db2.gz HCXNHTQNSRPDBS-VXGBXAGGSA-N 0 3 355.439 -0.815 20 0 FBADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1 ZINC001214349996 844459440 /nfs/dbraw/zinc/45/94/40/844459440.db2.gz ZQYCTLQPQLVPFG-TZMCWYRMSA-N 0 3 350.419 -0.142 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C ZINC001214351786 844459147 /nfs/dbraw/zinc/45/91/47/844459147.db2.gz DAZDSPWHBRJJLL-IRUJWGPZSA-N 0 3 350.423 -0.377 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C ZINC001214351787 844459455 /nfs/dbraw/zinc/45/94/55/844459455.db2.gz DAZDSPWHBRJJLL-SUZMYJTESA-N 0 3 350.423 -0.377 20 0 FBADHN COCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001214351976 844459309 /nfs/dbraw/zinc/45/93/09/844459309.db2.gz LMXYEJDXKRNIFY-GHMZBOCLSA-N 0 3 355.357 -0.236 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCCOC)C[C@H]1C ZINC001214352161 844459394 /nfs/dbraw/zinc/45/93/94/844459394.db2.gz SOSIFNJXPGKBSN-FRRDWIJNSA-N 0 3 358.439 -0.680 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCCOC)C[C@H]1C ZINC001214352162 844459138 /nfs/dbraw/zinc/45/91/38/844459138.db2.gz SOSIFNJXPGKBSN-JHJVBQTASA-N 0 3 358.439 -0.680 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@H]1C ZINC001214352168 844459072 /nfs/dbraw/zinc/45/90/72/844459072.db2.gz STXINVUQGPTTIH-DGCLKSJQSA-N 0 3 350.423 -0.201 20 0 FBADHN COCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001214353228 844459082 /nfs/dbraw/zinc/45/90/82/844459082.db2.gz 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C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(=O)NCc1cccs1 ZINC001214542213 844474359 /nfs/dbraw/zinc/47/43/59/844474359.db2.gz QJNHVNQIMCIASO-RTXFEEFZSA-N 0 3 366.443 -0.091 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001214542488 844474015 /nfs/dbraw/zinc/47/40/15/844474015.db2.gz YNZZEORLUFNWTG-RAIGVLPGSA-N 0 3 350.375 -0.559 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001214542489 844473871 /nfs/dbraw/zinc/47/38/71/844473871.db2.gz YNZZEORLUFNWTG-RTXFEEFZSA-N 0 3 350.375 -0.559 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001214543576 844473992 /nfs/dbraw/zinc/47/39/92/844473992.db2.gz FDTRXRAUCWTYFF-DGCLKSJQSA-N 0 3 350.423 -0.840 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214543578 844473697 /nfs/dbraw/zinc/47/36/97/844473697.db2.gz FGKAQOICMNZOOK-NXEZZACHSA-N 0 3 362.356 -0.114 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543593 844473769 /nfs/dbraw/zinc/47/37/69/844473769.db2.gz GEZYTQORUHEVFZ-GHMZBOCLSA-N 0 3 351.411 -0.899 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214543596 844473843 /nfs/dbraw/zinc/47/38/43/844473843.db2.gz GGXGCYJGZKYIHW-KXUCPTDWSA-N 0 3 362.356 -0.068 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214543597 844473731 /nfs/dbraw/zinc/47/37/31/844473731.db2.gz GGXGCYJGZKYIHW-OPRDCNLKSA-N 0 3 362.356 -0.068 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543645 844474264 /nfs/dbraw/zinc/47/42/64/844474264.db2.gz HXDVJRZGJWXRBC-GMTAPVOTSA-N 0 3 351.411 -0.901 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543646 844473920 /nfs/dbraw/zinc/47/39/20/844473920.db2.gz HXDVJRZGJWXRBC-OUAUKWLOSA-N 0 3 351.411 -0.901 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543651 844473808 /nfs/dbraw/zinc/47/38/08/844473808.db2.gz IBPQTWSMWWGWLV-FRRDWIJNSA-N 0 3 352.439 -0.594 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543652 844474370 /nfs/dbraw/zinc/47/43/70/844474370.db2.gz IBPQTWSMWWGWLV-JHJVBQTASA-N 0 3 352.439 -0.594 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001214543716 844474213 /nfs/dbraw/zinc/47/42/13/844474213.db2.gz KTOBTNPKZLXVGL-FRRDWIJNSA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001214543717 844474103 /nfs/dbraw/zinc/47/41/03/844474103.db2.gz KTOBTNPKZLXVGL-JHJVBQTASA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001214543827 844474315 /nfs/dbraw/zinc/47/43/15/844474315.db2.gz PLAHTKKQSNXYGV-FRRDWIJNSA-N 0 3 350.423 -0.840 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001214543828 844474145 /nfs/dbraw/zinc/47/41/45/844474145.db2.gz PLAHTKKQSNXYGV-JHJVBQTASA-N 0 3 350.423 -0.840 20 0 FBADHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C ZINC001214547891 844474305 /nfs/dbraw/zinc/47/43/05/844474305.db2.gz ACNOIJCHILWLPK-UMVBOHGHSA-N 0 3 356.467 -0.078 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214551047 844474710 /nfs/dbraw/zinc/47/47/10/844474710.db2.gz ZWDVLUXUAVRZSE-BBBLOLIVSA-N 0 3 366.340 -0.448 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214551048 844475248 /nfs/dbraw/zinc/47/52/48/844475248.db2.gz ZWDVLUXUAVRZSE-OPRDCNLKSA-N 0 3 366.340 -0.448 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001214553388 844475222 /nfs/dbraw/zinc/47/52/22/844475222.db2.gz RBXWUVATFQOLAX-FRRDWIJNSA-N 0 3 350.423 -0.840 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001214553389 844474952 /nfs/dbraw/zinc/47/49/52/844474952.db2.gz RBXWUVATFQOLAX-JHJVBQTASA-N 0 3 350.423 -0.840 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214553578 844475100 /nfs/dbraw/zinc/47/51/00/844475100.db2.gz WOVWOSHKNZRZRY-GHMZBOCLSA-N 0 3 351.411 -0.899 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001214553618 844475228 /nfs/dbraw/zinc/47/52/28/844475228.db2.gz XOBRFIMHXMFVEV-DGCLKSJQSA-N 0 3 350.423 -0.840 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214555369 844475115 /nfs/dbraw/zinc/47/51/15/844475115.db2.gz CVIIKACUJCWPRP-GHMZBOCLSA-N 0 3 351.411 -0.899 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214555372 844474854 /nfs/dbraw/zinc/47/48/54/844474854.db2.gz CXXKYUDGMYKVSL-FXPVBKGRSA-N 0 3 352.395 -0.799 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214555373 844474934 /nfs/dbraw/zinc/47/49/34/844474934.db2.gz CXXKYUDGMYKVSL-WCABBAIRSA-N 0 3 352.395 -0.799 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214555424 844475153 /nfs/dbraw/zinc/47/51/53/844475153.db2.gz FTUBOIBKUNCFAA-DGCLKSJQSA-N 0 3 353.423 -0.490 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214555455 844475087 /nfs/dbraw/zinc/47/50/87/844475087.db2.gz HADYDYSSHJWXIK-NXEZZACHSA-N 0 3 362.356 -0.114 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001214555466 844475193 /nfs/dbraw/zinc/47/51/93/844475193.db2.gz HSBPSEMCNJPORC-FRRDWIJNSA-N 0 3 350.423 -0.840 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001214555467 844475206 /nfs/dbraw/zinc/47/52/06/844475206.db2.gz HSBPSEMCNJPORC-JHJVBQTASA-N 0 3 350.423 -0.840 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214555630 844475023 /nfs/dbraw/zinc/47/50/23/844475023.db2.gz OPFPCGDRTYFVRJ-GMTAPVOTSA-N 0 3 351.411 -0.901 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214555631 844475141 /nfs/dbraw/zinc/47/51/41/844475141.db2.gz OPFPCGDRTYFVRJ-OUAUKWLOSA-N 0 3 351.411 -0.901 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214555662 844475272 /nfs/dbraw/zinc/47/52/72/844475272.db2.gz PPUJZRUFDNRCSX-FRRDWIJNSA-N 0 3 352.439 -0.594 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214555663 844475170 /nfs/dbraw/zinc/47/51/70/844475170.db2.gz PPUJZRUFDNRCSX-JHJVBQTASA-N 0 3 352.439 -0.594 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001214555716 844474984 /nfs/dbraw/zinc/47/49/84/844474984.db2.gz RZWGESGYPAHJEU-FRRDWIJNSA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001214555717 844475238 /nfs/dbraw/zinc/47/52/38/844475238.db2.gz RZWGESGYPAHJEU-JHJVBQTASA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001214555733 844475282 /nfs/dbraw/zinc/47/52/82/844475282.db2.gz SPTOOVNQYYPWQM-DGCLKSJQSA-N 0 3 350.423 -0.840 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214555789 844475061 /nfs/dbraw/zinc/47/50/61/844475061.db2.gz VWSYGJMNYVWCBJ-GMTAPVOTSA-N 0 3 351.411 -0.901 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214555790 844475186 /nfs/dbraw/zinc/47/51/86/844475186.db2.gz VWSYGJMNYVWCBJ-OUAUKWLOSA-N 0 3 351.411 -0.901 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214555804 844475129 /nfs/dbraw/zinc/47/51/29/844475129.db2.gz WHGNZTPEQRYHON-KXUCPTDWSA-N 0 3 362.356 -0.068 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214555805 844475300 /nfs/dbraw/zinc/47/53/00/844475300.db2.gz WHGNZTPEQRYHON-OPRDCNLKSA-N 0 3 362.356 -0.068 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214557457 844475309 /nfs/dbraw/zinc/47/53/09/844475309.db2.gz BSDGRHITZRBDDO-KXUCPTDWSA-N 0 3 362.356 -0.068 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214557458 844475216 /nfs/dbraw/zinc/47/52/16/844475216.db2.gz BSDGRHITZRBDDO-OPRDCNLKSA-N 0 3 362.356 -0.068 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214557642 844475266 /nfs/dbraw/zinc/47/52/66/844475266.db2.gz GXHIEZCNEXLSHE-DGCLKSJQSA-N 0 3 353.423 -0.490 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001214557710 844475254 /nfs/dbraw/zinc/47/52/54/844475254.db2.gz JHIIKGJKAYMGSI-FRRDWIJNSA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001214557711 844475951 /nfs/dbraw/zinc/47/59/51/844475951.db2.gz JHIIKGJKAYMGSI-JHJVBQTASA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214557877 844476228 /nfs/dbraw/zinc/47/62/28/844476228.db2.gz MXLOYUZJUFEIKL-NXEZZACHSA-N 0 3 362.356 -0.114 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCCOC)C2)n1 ZINC001214558098 844476047 /nfs/dbraw/zinc/47/60/47/844476047.db2.gz RCDUXUBMFFHDCQ-TZMCWYRMSA-N 0 3 352.439 -0.499 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C ZINC001214558110 844476104 /nfs/dbraw/zinc/47/61/04/844476104.db2.gz RKCWQOMSUXDLQN-ZYHUDNBSSA-N 0 3 351.411 -0.806 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214558248 844475754 /nfs/dbraw/zinc/47/57/54/844475754.db2.gz SYCDWOSVAMOCCA-FRRDWIJNSA-N 0 3 352.439 -0.594 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214558249 844475835 /nfs/dbraw/zinc/47/58/35/844475835.db2.gz SYCDWOSVAMOCCA-JHJVBQTASA-N 0 3 352.439 -0.594 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C ZINC001214558522 844475936 /nfs/dbraw/zinc/47/59/36/844475936.db2.gz XSCDTYVLXHYBTB-TZMCWYRMSA-N 0 3 352.439 -0.499 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214558523 844476075 /nfs/dbraw/zinc/47/60/75/844476075.db2.gz XSTUVWPVZDPKPZ-MWLCHTKSSA-N 0 3 352.395 -0.797 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C2)n1 ZINC001214559146 844475903 /nfs/dbraw/zinc/47/59/03/844475903.db2.gz BZWBDMFQPHWANV-CKYFFXLPSA-N 0 3 351.411 -0.808 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C2)n1 ZINC001214559148 844476113 /nfs/dbraw/zinc/47/61/13/844476113.db2.gz BZWBDMFQPHWANV-JFGNBEQYSA-N 0 3 351.411 -0.808 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C ZINC001214559305 844476064 /nfs/dbraw/zinc/47/60/64/844476064.db2.gz GCGJRKRRGBBEAQ-CHWSQXEVSA-N 0 3 352.439 -0.499 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C ZINC001214559312 844476159 /nfs/dbraw/zinc/47/61/59/844476159.db2.gz GGLPFELZCMSNDN-GHMZBOCLSA-N 0 3 351.411 -0.806 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001214561715 844476117 /nfs/dbraw/zinc/47/61/17/844476117.db2.gz ABVLKXXZCJDGJT-NXEZZACHSA-N 0 3 367.372 -0.580 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001214561863 844475982 /nfs/dbraw/zinc/47/59/82/844475982.db2.gz FMPCTMQYELJNQJ-GMTAPVOTSA-N 0 3 351.411 -0.808 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001214561864 844475928 /nfs/dbraw/zinc/47/59/28/844475928.db2.gz FMPCTMQYELJNQJ-OUAUKWLOSA-N 0 3 351.411 -0.808 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C)C1CC1 ZINC001214561868 844475918 /nfs/dbraw/zinc/47/59/18/844475918.db2.gz FNHKGXICLYZWEO-TZMCWYRMSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCC(C)C)C1 ZINC001214561943 844476033 /nfs/dbraw/zinc/47/60/33/844476033.db2.gz GYDRULJYQCXLKW-HZSPNIEDSA-N 0 3 355.483 -0.097 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCC(C)C)C1 ZINC001214561944 844476089 /nfs/dbraw/zinc/47/60/89/844476089.db2.gz GYDRULJYQCXLKW-MGPQQGTHSA-N 0 3 355.483 -0.097 20 0 FBADHN CCN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C ZINC001214561945 844475967 /nfs/dbraw/zinc/47/59/67/844475967.db2.gz HAGXYSMFQYKSAU-HZSPNIEDSA-N 0 3 355.483 -0.001 20 0 FBADHN CCN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C ZINC001214561946 844476018 /nfs/dbraw/zinc/47/60/18/844476018.db2.gz HAGXYSMFQYKSAU-MGPQQGTHSA-N 0 3 355.483 -0.001 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001214562318 844476056 /nfs/dbraw/zinc/47/60/56/844476056.db2.gz PETDYYPQQGLMEI-HZSPNIEDSA-N 0 3 355.483 -0.003 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001214562320 844475990 /nfs/dbraw/zinc/47/59/90/844475990.db2.gz PETDYYPQQGLMEI-MGPQQGTHSA-N 0 3 355.483 -0.003 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C(C)C)C2=O)C1 ZINC001214562321 844475975 /nfs/dbraw/zinc/47/59/75/844475975.db2.gz PFCVCALAJYMIJZ-HZSPNIEDSA-N 0 3 353.467 -0.249 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001214562323 844475996 /nfs/dbraw/zinc/47/59/96/844475996.db2.gz PFCVCALAJYMIJZ-MGPQQGTHSA-N 0 3 353.467 -0.249 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCCC2)C1 ZINC001214562389 844476049 /nfs/dbraw/zinc/47/60/49/844476049.db2.gz QHKYIVKTWDHOCS-ZIAGYGMSSA-N 0 3 353.467 -0.246 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C2CC2)C1 ZINC001214562403 844475958 /nfs/dbraw/zinc/47/59/58/844475958.db2.gz QKSSYLVFCZYRQY-MBNYWOFBSA-N 0 3 353.467 -0.343 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C2CC2)C1 ZINC001214562404 844475808 /nfs/dbraw/zinc/47/58/08/844475808.db2.gz QKSSYLVFCZYRQY-YRGRVCCFSA-N 0 3 353.467 -0.343 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001214562784 844475861 /nfs/dbraw/zinc/47/58/61/844475861.db2.gz ZVUHQSGZKMCTCT-CHWSQXEVSA-N 0 3 352.439 -0.499 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(C)C)C1 ZINC001214563939 844475784 /nfs/dbraw/zinc/47/57/84/844475784.db2.gz ALECEMZDAOPWJI-HZSPNIEDSA-N 0 3 355.483 -0.097 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(C)C)C1 ZINC001214563940 844475942 /nfs/dbraw/zinc/47/59/42/844475942.db2.gz ALECEMZDAOPWJI-MGPQQGTHSA-N 0 3 355.483 -0.097 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC2CC2)C1 ZINC001214563947 844476140 /nfs/dbraw/zinc/47/61/40/844476140.db2.gz ATVMVPMJIWTGMT-TZMCWYRMSA-N 0 3 353.467 -0.390 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCCC2)C1 ZINC001214564125 844476889 /nfs/dbraw/zinc/47/68/89/844476889.db2.gz KEYSFGJJUABNAP-TZMCWYRMSA-N 0 3 353.467 -0.199 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(C)(C)C)C1 ZINC001214564155 844476964 /nfs/dbraw/zinc/47/69/64/844476964.db2.gz LQGBPGUDQWTUNJ-CHWSQXEVSA-N 0 3 355.483 -0.096 20 0 FBADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C ZINC001214564217 844476817 /nfs/dbraw/zinc/47/68/17/844476817.db2.gz OOXJJEWAGDTMED-DGCLKSJQSA-N 0 3 351.455 -0.138 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CCC2)C1 ZINC001214564347 844477078 /nfs/dbraw/zinc/47/70/78/844477078.db2.gz VXUHXOLFXCVZBC-TZMCWYRMSA-N 0 3 353.467 -0.342 20 0 FBADHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001214568813 844476760 /nfs/dbraw/zinc/47/67/60/844476760.db2.gz CKRIJWSHFYQXLL-VXGBXAGGSA-N 0 3 350.423 -0.058 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C)C(=O)N(C)C ZINC001214571774 844477167 /nfs/dbraw/zinc/47/71/67/844477167.db2.gz XRUMKTRPTARWBM-GRYCIOLGSA-N 0 3 350.423 -0.947 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C)C(=O)N(C)C ZINC001214571775 844477086 /nfs/dbraw/zinc/47/70/86/844477086.db2.gz XRUMKTRPTARWBM-IJLUTSLNSA-N 0 3 350.423 -0.947 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C ZINC001214573427 844476947 /nfs/dbraw/zinc/47/69/47/844476947.db2.gz AGFVDVDPVRNGOL-FRRDWIJNSA-N 0 3 354.451 -0.038 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C ZINC001214573428 844477062 /nfs/dbraw/zinc/47/70/62/844477062.db2.gz AGFVDVDPVRNGOL-JHJVBQTASA-N 0 3 354.451 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001214573444 844477142 /nfs/dbraw/zinc/47/71/42/844477142.db2.gz ATZPSRHDEJWICJ-DGCLKSJQSA-N 0 3 352.435 -0.284 20 0 FBADHN C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001214573826 844476780 /nfs/dbraw/zinc/47/67/80/844476780.db2.gz PBLGZJXLTTVFAE-QLFBSQMISA-N 0 3 353.463 -0.119 20 0 FBADHN C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001214573827 844476905 /nfs/dbraw/zinc/47/69/05/844476905.db2.gz PBLGZJXLTTVFAE-RBSFLKMASA-N 0 3 353.463 -0.119 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C ZINC001214573869 844476932 /nfs/dbraw/zinc/47/69/32/844476932.db2.gz QZQIBWBCDJFMEZ-CHWSQXEVSA-N 0 3 354.451 -0.036 20 0 FBADHN Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C2)[nH]1 ZINC001214585256 844476976 /nfs/dbraw/zinc/47/69/76/844476976.db2.gz GHSHGKXAPHTIFY-PSASIEDQSA-N 0 3 362.356 -0.229 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C ZINC001214585505 844476719 /nfs/dbraw/zinc/47/67/19/844476719.db2.gz MIQIVNBYDFKIGO-DGCLKSJQSA-N 0 3 352.439 -0.755 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C ZINC001214586263 844478031 /nfs/dbraw/zinc/47/80/31/844478031.db2.gz WMGXZDVZUOEPSX-DGCLKSJQSA-N 0 3 352.439 -0.755 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC001214587211 844478316 /nfs/dbraw/zinc/47/83/16/844478316.db2.gz AZIGSRVRAQWNQU-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C ZINC001214587572 844477852 /nfs/dbraw/zinc/47/78/52/844477852.db2.gz LBEWOIMPIPMRGY-TZMCWYRMSA-N 0 3 351.451 -0.069 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C ZINC001214587629 844478238 /nfs/dbraw/zinc/47/82/38/844478238.db2.gz MENPPIFTBSAUQS-ZYHUDNBSSA-N 0 3 350.423 -0.376 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC001214587739 844478346 /nfs/dbraw/zinc/47/83/46/844478346.db2.gz OKHPEEOQCQNDMH-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C ZINC001214587762 844477783 /nfs/dbraw/zinc/47/77/83/844477783.db2.gz OSJNPGOCLYICFI-TZMCWYRMSA-N 0 3 351.451 -0.069 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC001214588454 844478354 /nfs/dbraw/zinc/47/83/54/844478354.db2.gz ZPOQFSGCIUDFRY-DGCLKSJQSA-N 0 3 350.423 -0.755 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C ZINC001214589181 844478300 /nfs/dbraw/zinc/47/83/00/844478300.db2.gz HTOUABMANVPGID-ADEWGFFLSA-N 0 3 350.423 -0.377 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C ZINC001214589183 844478083 /nfs/dbraw/zinc/47/80/83/844478083.db2.gz HTOUABMANVPGID-YUSALJHKSA-N 0 3 350.423 -0.377 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC001214593303 844478361 /nfs/dbraw/zinc/47/83/61/844478361.db2.gz NAKGHMKFMQKAIL-NQBHXWOUSA-N 0 3 350.423 -0.757 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC001214593304 844478333 /nfs/dbraw/zinc/47/83/33/844478333.db2.gz NAKGHMKFMQKAIL-NTZNESFSSA-N 0 3 350.423 -0.757 20 0 FBADHN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)nn1C ZINC001214593460 844477734 /nfs/dbraw/zinc/47/77/34/844477734.db2.gz URIPLDZWBYPDJL-ZYHUDNBSSA-N 0 3 350.423 -0.212 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C ZINC001214595021 844477818 /nfs/dbraw/zinc/47/78/18/844477818.db2.gz BSVYLZHFDXNGOA-CHWSQXEVSA-N 0 3 352.439 -0.547 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(C)C)C2)nn1 ZINC001214595029 844477662 /nfs/dbraw/zinc/47/76/62/844477662.db2.gz BUVCAASCYBBSGJ-CHWSQXEVSA-N 0 3 352.439 -0.501 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1C ZINC001214595051 844478183 /nfs/dbraw/zinc/47/81/83/844478183.db2.gz CFSLYPLPFXPYDM-ZIAGYGMSSA-N 0 3 353.467 -0.246 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1NCCS(C)(=O)=O ZINC001214595163 844477672 /nfs/dbraw/zinc/47/76/72/844477672.db2.gz HQMHYHITOKBQJZ-CHWSQXEVSA-N 0 3 360.480 -0.727 20 0 FBADHN COCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)nn1 ZINC001214595376 844478098 /nfs/dbraw/zinc/47/80/98/844478098.db2.gz LTWSPHLDFZLSQY-VXGBXAGGSA-N 0 3 359.452 -0.981 20 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LXKKNQQVIYYPEU-MGPQQGTHSA-N 0 3 371.503 -0.084 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001214627871 844483037 /nfs/dbraw/zinc/48/30/37/844483037.db2.gz QLALNKGYUJPZPP-CHWSQXEVSA-N 0 3 359.492 -0.226 20 0 FBADHN CC[C@H](N[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C)C(N)=O ZINC001214629385 844482720 /nfs/dbraw/zinc/48/27/20/844482720.db2.gz HEOMEORQZKKQOK-FRRDWIJNSA-N 0 3 359.492 -0.098 20 0 FBADHN CC[C@@H](N[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C)C(N)=O ZINC001214629387 844483001 /nfs/dbraw/zinc/48/30/01/844483001.db2.gz HEOMEORQZKKQOK-JHJVBQTASA-N 0 3 359.492 -0.098 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001214629446 844482675 /nfs/dbraw/zinc/48/26/75/844482675.db2.gz IKPDLHOSZPBZHP-FRRDWIJNSA-N 0 3 359.492 -0.228 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001214629447 844483059 /nfs/dbraw/zinc/48/30/59/844483059.db2.gz IKPDLHOSZPBZHP-JHJVBQTASA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1NCCS(C)(=O)=O ZINC001214629480 844482930 /nfs/dbraw/zinc/48/29/30/844482930.db2.gz JMVPHNNGQKIVDR-DGCLKSJQSA-N 0 3 355.464 -0.363 20 0 FBADHN C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001214629634 844482791 /nfs/dbraw/zinc/48/27/91/844482791.db2.gz KXPDLFMDNXGYCC-HZSPNIEDSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001214629637 844482743 /nfs/dbraw/zinc/48/27/43/844482743.db2.gz KXPDLFMDNXGYCC-MGPQQGTHSA-N 0 3 371.503 -0.132 20 0 FBADHN CC(C)Cc1nc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)c[nH]1 ZINC001214630336 844482647 /nfs/dbraw/zinc/48/26/47/844482647.db2.gz VQQOEGQTQOPMMR-ZYHUDNBSSA-N 0 3 350.423 -0.147 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@H]1NCC(=O)NC(N)=O ZINC001214632834 844483166 /nfs/dbraw/zinc/48/31/66/844483166.db2.gz ROIFGZIUQOERGI-RKDXNWHRSA-N 0 3 358.349 -0.607 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1C ZINC001214636172 844483018 /nfs/dbraw/zinc/48/30/18/844483018.db2.gz DNVQTVYRVJKHMW-MPKXVKKWSA-N 0 3 351.451 -0.013 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1C ZINC001214636173 844482818 /nfs/dbraw/zinc/48/28/18/844482818.db2.gz DNVQTVYRVJKHMW-SCDSUCTJSA-N 0 3 351.451 -0.013 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC001214636216 844483049 /nfs/dbraw/zinc/48/30/49/844483049.db2.gz FRVHRKJYBFVIJI-GRYCIOLGSA-N 0 3 352.435 -0.658 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC001214636224 844482622 /nfs/dbraw/zinc/48/26/22/844482622.db2.gz FRVHRKJYBFVIJI-IJLUTSLNSA-N 0 3 352.435 -0.658 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1C ZINC001214636615 844482735 /nfs/dbraw/zinc/48/27/35/844482735.db2.gz NUIMNYBPPIMZLF-BXUZGUMPSA-N 0 3 351.451 -0.012 20 0 FBADHN Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214636660 844482985 /nfs/dbraw/zinc/48/29/85/844482985.db2.gz OUYMWIPJJSKQQN-BXUZGUMPSA-N 0 3 351.451 -0.060 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC001214636865 844482686 /nfs/dbraw/zinc/48/26/86/844482686.db2.gz VBIGTGLATSKJMR-VXGBXAGGSA-N 0 3 352.435 -0.656 20 0 FBADHN C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1NCC(=O)N(C)C ZINC001214636979 844483800 /nfs/dbraw/zinc/48/38/00/844483800.db2.gz ZHTQZHKVOVWRDG-VXGBXAGGSA-N 0 3 352.435 -0.704 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214640304 844483942 /nfs/dbraw/zinc/48/39/42/844483942.db2.gz BGBASXJQLNZVJK-KXUCPTDWSA-N 0 3 363.344 -0.823 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001214640305 844483961 /nfs/dbraw/zinc/48/39/61/844483961.db2.gz BGBASXJQLNZVJK-OPRDCNLKSA-N 0 3 363.344 -0.823 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C ZINC001214640340 844483782 /nfs/dbraw/zinc/48/37/82/844483782.db2.gz CYZPKGCVLCRDPL-PSASIEDQSA-N 0 3 356.814 -0.421 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214640356 844483686 /nfs/dbraw/zinc/48/36/86/844483686.db2.gz DSQBBRFRQCZFQR-NXEZZACHSA-N 0 3 363.344 -0.870 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCC(=O)NCc1cccs1 ZINC001214640363 844483770 /nfs/dbraw/zinc/48/37/70/844483770.db2.gz DWAONDBPJYAPQA-DGCLKSJQSA-N 0 3 363.447 -0.513 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001214640436 844483933 /nfs/dbraw/zinc/48/39/33/844483933.db2.gz HFPOLYHQWDENIS-KHQFGBGNSA-N 0 3 356.814 -0.293 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001214640437 844483811 /nfs/dbraw/zinc/48/38/11/844483811.db2.gz HFPOLYHQWDENIS-NQMVMOMDSA-N 0 3 356.814 -0.293 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C ZINC001214640931 844483676 /nfs/dbraw/zinc/48/36/76/844483676.db2.gz QBJKCJSBVWNJMM-MWLCHTKSSA-N 0 3 370.841 -0.031 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C ZINC001214641011 844483909 /nfs/dbraw/zinc/48/39/09/844483909.db2.gz RWKSXKDNDRSWEA-FXPVBKGRSA-N 0 3 370.841 -0.032 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C ZINC001214641015 844483729 /nfs/dbraw/zinc/48/37/29/844483729.db2.gz RWKSXKDNDRSWEA-WCABBAIRSA-N 0 3 370.841 -0.032 20 0 FBADHN CCC(CC)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641044 844483777 /nfs/dbraw/zinc/48/37/77/844483777.db2.gz SOOMWMXIWDJXGT-MBNYWOFBSA-N 0 3 351.455 -0.197 20 0 FBADHN CCC(CC)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641045 844483736 /nfs/dbraw/zinc/48/37/36/844483736.db2.gz SOOMWMXIWDJXGT-YRGRVCCFSA-N 0 3 351.455 -0.197 20 0 FBADHN CCC(C)(C)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641275 844483637 /nfs/dbraw/zinc/48/36/37/844483637.db2.gz WFVQDHQPEJEXTK-FRRDWIJNSA-N 0 3 351.455 -0.197 20 0 FBADHN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641276 844483838 /nfs/dbraw/zinc/48/38/38/844483838.db2.gz WFVQDHQPEJEXTK-JHJVBQTASA-N 0 3 351.455 -0.197 20 0 FBADHN CC(C)CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641312 844483668 /nfs/dbraw/zinc/48/36/68/844483668.db2.gz XSCRCVSSLOCMKW-HZSPNIEDSA-N 0 3 351.455 -0.340 20 0 FBADHN CC(C)CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214641314 844483758 /nfs/dbraw/zinc/48/37/58/844483758.db2.gz XSCRCVSSLOCMKW-MGPQQGTHSA-N 0 3 351.455 -0.340 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C ZINC001214643010 844483806 /nfs/dbraw/zinc/48/38/06/844483806.db2.gz AFFLFCXTLOAFNM-GMTAPVOTSA-N 0 3 364.393 -0.061 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C ZINC001214643011 844483768 /nfs/dbraw/zinc/48/37/68/844483768.db2.gz AFFLFCXTLOAFNM-OUAUKWLOSA-N 0 3 364.393 -0.061 20 0 FBADHN CCCN(CCC)C(=O)CN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214643084 844483715 /nfs/dbraw/zinc/48/37/15/844483715.db2.gz CWLDADROAQGQMD-ZIAGYGMSSA-N 0 3 351.455 -0.242 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C)C(=O)NC(N)=O ZINC001214643116 844483819 /nfs/dbraw/zinc/48/38/19/844483819.db2.gz FBPKOHVCIRUNCB-KXUCPTDWSA-N 0 3 350.366 -0.322 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C)C(=O)NC(N)=O ZINC001214643117 844483645 /nfs/dbraw/zinc/48/36/45/844483645.db2.gz FBPKOHVCIRUNCB-OPRDCNLKSA-N 0 3 350.366 -0.322 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)ncn1 ZINC001214643333 844483774 /nfs/dbraw/zinc/48/37/74/844483774.db2.gz NBBNKRHDHRRZOW-FXPVBKGRSA-N 0 3 350.379 -0.881 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)ncn1 ZINC001214643334 844483832 /nfs/dbraw/zinc/48/38/32/844483832.db2.gz NBBNKRHDHRRZOW-WCABBAIRSA-N 0 3 350.379 -0.881 20 0 FBADHN CC(C)N(C(=O)CN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)C(C)C ZINC001214645931 844483826 /nfs/dbraw/zinc/48/38/26/844483826.db2.gz JDTPKATVKKTTFP-ZIAGYGMSSA-N 0 3 351.455 -0.245 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001214646164 844483902 /nfs/dbraw/zinc/48/39/02/844483902.db2.gz MCELPYISVZSFGY-CHWSQXEVSA-N 0 3 351.455 -0.338 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C ZINC001214648236 844484652 /nfs/dbraw/zinc/48/46/52/844484652.db2.gz DCQMREVKVGMLEG-GHMZBOCLSA-N 0 3 364.393 -0.060 20 0 FBADHN C[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1NCC(=O)N1CCOCC1 ZINC001214648376 844484798 /nfs/dbraw/zinc/48/47/98/844484798.db2.gz KLBSQOJRKMQFOS-CHWSQXEVSA-N 0 3 363.405 -0.047 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1C ZINC001214648462 844484726 /nfs/dbraw/zinc/48/47/26/844484726.db2.gz OYBMLDJSNFIGAZ-NXEZZACHSA-N 0 3 350.366 -0.450 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214655179 844485192 /nfs/dbraw/zinc/48/51/92/844485192.db2.gz CFCBSYAXWWDEBZ-QHSBEEBCSA-N 0 3 350.463 -0.042 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCC(=O)NCC1CC1 ZINC001214655590 844485126 /nfs/dbraw/zinc/48/51/26/844485126.db2.gz OAACNYSXVRSYLW-QHSBEEBCSA-N 0 3 350.463 -0.136 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@H]1C ZINC001214655919 844484945 /nfs/dbraw/zinc/48/49/45/844484945.db2.gz WZTOHVSHBSINKO-COMQUAJESA-N 0 3 354.451 -0.060 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1C ZINC001214657051 844484845 /nfs/dbraw/zinc/48/48/45/844484845.db2.gz AXNLTAXWDXTOMB-GRYCIOLGSA-N 0 3 350.423 -0.584 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)c2ccnn2C)C[C@H]1C ZINC001214657057 844485028 /nfs/dbraw/zinc/48/50/28/844485028.db2.gz AXNLTAXWDXTOMB-IJLUTSLNSA-N 0 3 350.423 -0.584 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1C ZINC001214659272 844485206 /nfs/dbraw/zinc/48/52/06/844485206.db2.gz FHSKZBCITXZWMQ-RKDXNWHRSA-N 0 3 355.420 -0.343 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)sn1 ZINC001214659543 844484517 /nfs/dbraw/zinc/48/45/17/844484517.db2.gz LTRXTIQIKSSLDG-HRDYMLBCSA-N 0 3 355.420 -0.215 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)sn1 ZINC001214659544 844485163 /nfs/dbraw/zinc/48/51/63/844485163.db2.gz LTRXTIQIKSSLDG-IWSPIJDZSA-N 0 3 355.420 -0.215 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncnc3sccc32)C[C@H]1NCC(=O)NC(N)=O ZINC001214664007 844485151 /nfs/dbraw/zinc/48/51/51/844485151.db2.gz IDEZKASWQJKWOQ-PSASIEDQSA-N 0 3 362.415 -0.064 20 0 FBADHN C[C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1NCC(=O)NC(N)=O ZINC001214664298 844484784 /nfs/dbraw/zinc/48/47/84/844484784.db2.gz VNMMBDSHALXQTB-NXEZZACHSA-N 0 3 350.423 -0.048 20 0 FBADHN CCn1ccc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)n1 ZINC001214665763 844484490 /nfs/dbraw/zinc/48/44/90/844484490.db2.gz JDGKLHBSYKIDIZ-DGCLKSJQSA-N 0 3 350.423 -0.662 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C ZINC001214667778 844484638 /nfs/dbraw/zinc/48/46/38/844484638.db2.gz AIAXCBKBZRYKSQ-ZYHUDNBSSA-N 0 3 357.432 -0.131 20 0 FBADHN C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1NCC(=O)N(C)C ZINC001214667871 844485737 /nfs/dbraw/zinc/48/57/37/844485737.db2.gz FQFLRLVODOGFDR-ZYHUDNBSSA-N 0 3 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CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001214928290 844509350 /nfs/dbraw/zinc/50/93/50/844509350.db2.gz UVBOTHCGTWNNOY-BXUZGUMPSA-N 0 3 351.407 -0.615 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1C ZINC001214928333 844509087 /nfs/dbraw/zinc/50/90/87/844509087.db2.gz XCDQLHFMUDCKKN-ZIAGYGMSSA-N 0 3 351.451 -0.101 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1C ZINC001214928352 844509369 /nfs/dbraw/zinc/50/93/69/844509369.db2.gz XMPDYJDYXXSQAA-ZIAGYGMSSA-N 0 3 351.451 -0.102 20 0 FBADHN CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001214928359 844510481 /nfs/dbraw/zinc/51/04/81/844510481.db2.gz XVWAIYQFSAVAGX-DGCLKSJQSA-N 0 3 371.463 -0.438 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001214929663 844510535 /nfs/dbraw/zinc/51/05/35/844510535.db2.gz FAFLWKDXGYWCJK-FXPVBKGRSA-N 0 3 350.379 -0.924 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001214929664 844510983 /nfs/dbraw/zinc/51/09/83/844510983.db2.gz FAFLWKDXGYWCJK-WCABBAIRSA-N 0 3 350.379 -0.924 20 0 FBADHN Cc1cnc2nc(C(=O)N3C[C@@H](C)[C@H](NCCS(C)(=O)=O)C3)nn2c1 ZINC001214929687 844511004 /nfs/dbraw/zinc/51/10/04/844511004.db2.gz HEDACGNHHQZSTF-VXGBXAGGSA-N 0 3 366.447 -0.473 20 0 FBADHN C[C@@H](C[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)CS(C)(=O)=O ZINC001214929861 844510915 /nfs/dbraw/zinc/51/09/15/844510915.db2.gz WWFODCHUWXSSRV-DMDPSCGWSA-N 0 3 356.448 -0.087 20 0 FBADHN C[C@H](C[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)CS(C)(=O)=O ZINC001214929862 844510505 /nfs/dbraw/zinc/51/05/05/844510505.db2.gz WWFODCHUWXSSRV-NQBHXWOUSA-N 0 3 356.448 -0.087 20 0 FBADHN CCOc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)[nH]n1 ZINC001214931222 844510442 /nfs/dbraw/zinc/51/04/42/844510442.db2.gz BCXIHXPEORBUBF-MWLCHTKSSA-N 0 3 352.395 -0.686 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C)C(=O)N(C)C ZINC001214932157 844510968 /nfs/dbraw/zinc/51/09/68/844510968.db2.gz SDWACGAYYIGHOB-NQBHXWOUSA-N 0 3 367.475 -0.214 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C)C(=O)N(C)C ZINC001214932158 844510870 /nfs/dbraw/zinc/51/08/70/844510870.db2.gz SDWACGAYYIGHOB-NTZNESFSSA-N 0 3 367.475 -0.214 20 0 FBADHN CCOc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)[nH]n1 ZINC001214935895 844510905 /nfs/dbraw/zinc/51/09/05/844510905.db2.gz HXNHDHXQWWENIW-FXPVBKGRSA-N 0 3 352.395 -0.558 20 0 FBADHN CCOc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)[nH]n1 ZINC001214935897 844510662 /nfs/dbraw/zinc/51/06/62/844510662.db2.gz HXNHDHXQWWENIW-WCABBAIRSA-N 0 3 352.395 -0.558 20 0 FBADHN Cc1nc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)c(=O)[nH]c1C ZINC001214936581 844510642 /nfs/dbraw/zinc/51/06/42/844510642.db2.gz RHPBHMHKPDIRKX-BXKDBHETSA-N 0 3 356.448 -0.519 20 0 FBADHN Cc1cc(COCC(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)no1 ZINC001214936627 844510461 /nfs/dbraw/zinc/51/04/61/844510461.db2.gz SMHAWNSJFOMJEE-BXUZGUMPSA-N 0 3 359.448 -0.019 20 0 FBADHN Cc1cc(COCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)no1 ZINC001214938881 844510602 /nfs/dbraw/zinc/51/06/02/844510602.db2.gz QFNNWJUXKKPPCV-BXKDBHETSA-N 0 3 353.379 -0.869 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1C)C(=O)N(C)C ZINC001214943784 844510735 /nfs/dbraw/zinc/51/07/35/844510735.db2.gz FAQNVTXDMTWTFY-UMVBOHGHSA-N 0 3 351.451 -0.150 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1C)C(=O)N(C)C ZINC001214943786 844510896 /nfs/dbraw/zinc/51/08/96/844510896.db2.gz FAQNVTXDMTWTFY-VNHYZAJKSA-N 0 3 351.451 -0.150 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1C ZINC001214944340 844511023 /nfs/dbraw/zinc/51/10/23/844511023.db2.gz QSIMDNBIPTVNPB-UKRRQHHQSA-N 0 3 351.451 -0.101 20 0 FBADHN Cc1cc(COCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)on1 ZINC001214946043 844510677 /nfs/dbraw/zinc/51/06/77/844510677.db2.gz JJRMXYBYXOGALG-BXKDBHETSA-N 0 3 353.379 -0.869 20 0 FBADHN Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)cn1 ZINC001214946228 844510776 /nfs/dbraw/zinc/51/07/76/844510776.db2.gz RAUZLQNNAHSQJI-ZYHUDNBSSA-N 0 3 350.423 -0.442 20 0 FBADHN Cc1cc(COCC(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)on1 ZINC001214946335 844510858 /nfs/dbraw/zinc/51/08/58/844510858.db2.gz WBIDVDVBDDFVHJ-BXUZGUMPSA-N 0 3 359.448 -0.019 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1C ZINC001214948228 844510923 /nfs/dbraw/zinc/51/09/23/844510923.db2.gz LTQDTIMJGPLCNI-UKRRQHHQSA-N 0 3 351.451 -0.149 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1C ZINC001214948567 844510953 /nfs/dbraw/zinc/51/09/53/844510953.db2.gz RDSMYFMCVYVEPV-UKRRQHHQSA-N 0 3 351.451 -0.102 20 0 FBADHN C[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1NCCS(C)(=O)=O ZINC001214948570 844510756 /nfs/dbraw/zinc/51/07/56/844510756.db2.gz RFWLAFRNBNGZLY-TZMCWYRMSA-N 0 3 358.464 -0.582 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214950028 844510946 /nfs/dbraw/zinc/51/09/46/844510946.db2.gz KAJKGMKPKSCQKW-RRCSTGOVSA-N 0 3 352.479 -0.237 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001214950340 844510888 /nfs/dbraw/zinc/51/08/88/844510888.db2.gz PFRNGLLRDJWJKQ-KLHDSHLOSA-N 0 3 354.495 -0.086 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCC(=O)NCC1CC1 ZINC001214950627 844510937 /nfs/dbraw/zinc/51/09/37/844510937.db2.gz VBCCBAVSZFKDML-RRCSTGOVSA-N 0 3 352.479 -0.332 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214954947 844511495 /nfs/dbraw/zinc/51/14/95/844511495.db2.gz MBEQIVHAFKHBMX-DFHBCGBQSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214954948 844511444 /nfs/dbraw/zinc/51/14/44/844511444.db2.gz MBEQIVHAFKHBMX-RVZJWNSFSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001214955304 844512058 /nfs/dbraw/zinc/51/20/58/844512058.db2.gz VAICWDWWIVDDJP-DFHBCGBQSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001214955305 844512163 /nfs/dbraw/zinc/51/21/63/844512163.db2.gz VAICWDWWIVDDJP-RVZJWNSFSA-N 0 3 350.463 -0.135 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1C ZINC001214956839 844512105 /nfs/dbraw/zinc/51/21/05/844512105.db2.gz IZSIKKOOLDFLKT-TZMCWYRMSA-N 0 3 350.419 -0.124 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1C ZINC001214956867 844511766 /nfs/dbraw/zinc/51/17/66/844511766.db2.gz JZDZVJVIUSGFGF-MBNYWOFBSA-N 0 3 350.419 -0.125 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1C ZINC001214956868 844512133 /nfs/dbraw/zinc/51/21/33/844512133.db2.gz JZDZVJVIUSGFGF-YRGRVCCFSA-N 0 3 350.419 -0.125 20 0 FBADHN C[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1NCCS(C)(=O)=O ZINC001214957074 844512089 /nfs/dbraw/zinc/51/20/89/844512089.db2.gz SOGOBGHFJWMAAJ-TZMCWYRMSA-N 0 3 371.459 -0.215 20 0 FBADHN C[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1NCC(=O)N(C)C ZINC001214957130 844511648 /nfs/dbraw/zinc/51/16/48/844511648.db2.gz VZXOGARLKFVPGR-TZMCWYRMSA-N 0 3 350.419 -0.172 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC001214960437 844511558 /nfs/dbraw/zinc/51/15/58/844511558.db2.gz FXFSTBCYXMILMS-DGCLKSJQSA-N 0 3 357.476 -0.616 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC001214960445 844512194 /nfs/dbraw/zinc/51/21/94/844512194.db2.gz GETBEINJRIXMND-TZMCWYRMSA-N 0 3 371.503 -0.226 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC001214960494 844511518 /nfs/dbraw/zinc/51/15/18/844511518.db2.gz IAPWGEMTHHAODK-TZMCWYRMSA-N 0 3 371.503 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1NCC(=O)N(C)C ZINC001214960626 844511420 /nfs/dbraw/zinc/51/14/20/844511420.db2.gz JAVSVBILJGZDSS-DGCLKSJQSA-N 0 3 357.476 -0.664 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C ZINC001214960656 844511569 /nfs/dbraw/zinc/51/15/69/844511569.db2.gz KIEBWMPSUSQYRD-IQIPOGNMSA-N 0 3 353.341 -0.485 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1NCCS(C)(=O)=O ZINC001214960662 844512233 /nfs/dbraw/zinc/51/22/33/844512233.db2.gz KONLEHARLVLIIS-BXUZGUMPSA-N 0 3 368.459 -0.796 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC001214960674 844511741 /nfs/dbraw/zinc/51/17/41/844511741.db2.gz LGXBFYRQJINIJL-NQBHXWOUSA-N 0 3 357.476 -0.618 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC001214960675 844511849 /nfs/dbraw/zinc/51/18/49/844511849.db2.gz LGXBFYRQJINIJL-NTZNESFSSA-N 0 3 357.476 -0.618 20 0 FBADHN COc1cc(COCC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C2)ccn1 ZINC001214960712 844511482 /nfs/dbraw/zinc/51/14/82/844511482.db2.gz MUQHGZSKWHXIKO-MBNYWOFBSA-N 0 3 350.419 -0.083 20 0 FBADHN COc1cc(COCC(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C2)ccn1 ZINC001214960913 844511913 /nfs/dbraw/zinc/51/19/13/844511913.db2.gz MUQHGZSKWHXIKO-YRGRVCCFSA-N 0 3 350.419 -0.083 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1NCC(=O)NC1CC1 ZINC001214961146 844512074 /nfs/dbraw/zinc/51/20/74/844512074.db2.gz UQEGPJCRKVAMNW-BXUZGUMPSA-N 0 3 369.487 -0.474 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC001214961197 844512150 /nfs/dbraw/zinc/51/21/50/844512150.db2.gz WULMDHDYGOQHSU-TZMCWYRMSA-N 0 3 371.503 -0.228 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C)C(=O)N(C)C ZINC001214961215 844511544 /nfs/dbraw/zinc/51/15/44/844511544.db2.gz XLJHVKWKMOQCPG-MBNYWOFBSA-N 0 3 371.503 -0.276 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C)C(=O)N(C)C ZINC001214961268 844512212 /nfs/dbraw/zinc/51/22/12/844512212.db2.gz XLJHVKWKMOQCPG-YRGRVCCFSA-N 0 3 371.503 -0.276 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1NCC(=O)NC(N)=O ZINC001214961286 844511607 /nfs/dbraw/zinc/51/16/07/844511607.db2.gz XUJSQLMVBYKJIS-GMSGAONNSA-N 0 3 356.333 -0.341 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)COCc2ccnc(OC)c2)C[C@H]1C ZINC001214961323 844511785 /nfs/dbraw/zinc/51/17/85/844511785.db2.gz ZLSAGAJGHRCQFQ-TZMCWYRMSA-N 0 3 350.419 -0.211 20 0 FBADHN COc1ccc(COCC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C2)cn1 ZINC001214962484 844511728 /nfs/dbraw/zinc/51/17/28/844511728.db2.gz GPBXAHBBSQRHCS-MBNYWOFBSA-N 0 3 350.419 -0.083 20 0 FBADHN COc1ccc(COCC(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C2)cn1 ZINC001214962485 844511534 /nfs/dbraw/zinc/51/15/34/844511534.db2.gz GPBXAHBBSQRHCS-YRGRVCCFSA-N 0 3 350.419 -0.083 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1NCCS(C)(=O)=O ZINC001214962530 844511715 /nfs/dbraw/zinc/51/17/15/844511715.db2.gz IHSCZODPJPOUBD-VXGBXAGGSA-N 0 3 356.448 -0.492 20 0 FBADHN Cc1nc2sccn2c1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214962759 844511584 /nfs/dbraw/zinc/51/15/84/844511584.db2.gz POJPNQKRVAPNGJ-PSASIEDQSA-N 0 3 364.431 -0.051 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)COCc2ccc(OC)nc2)C[C@H]1C ZINC001214963120 844512000 /nfs/dbraw/zinc/51/20/00/844512000.db2.gz ZDNBCIUROAOGFT-TZMCWYRMSA-N 0 3 350.419 -0.211 20 0 FBADHN Cc1nc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)c(C)s1 ZINC001214964629 844511703 /nfs/dbraw/zinc/51/17/03/844511703.db2.gz JNHUEKYFVJDZQE-PRHODGIISA-N 0 3 353.448 -0.066 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C ZINC001214964663 844511887 /nfs/dbraw/zinc/51/18/87/844511887.db2.gz LHWGSNBDPOUKNW-WFFHOREQSA-N 0 3 367.368 -0.095 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1NCC(=O)N(C)C ZINC001214964703 844511814 /nfs/dbraw/zinc/51/18/14/844511814.db2.gz NMXKMSMSGPWVAF-WFFHOREQSA-N 0 3 367.368 -0.143 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C ZINC001214966850 844511829 /nfs/dbraw/zinc/51/18/29/844511829.db2.gz FRVCVAVAQNELBS-MWLCHTKSSA-N 0 3 370.841 -0.031 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C ZINC001214967086 844511959 /nfs/dbraw/zinc/51/19/59/844511959.db2.gz OJBSXJDJOUKJGJ-PSASIEDQSA-N 0 3 356.814 -0.421 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1C ZINC001214968963 844512765 /nfs/dbraw/zinc/51/27/65/844512765.db2.gz GCRHFLDCPJGGGO-GMTAPVOTSA-N 0 3 351.407 -0.322 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1C ZINC001214968964 844512915 /nfs/dbraw/zinc/51/29/15/844512915.db2.gz GCRHFLDCPJGGGO-OUAUKWLOSA-N 0 3 351.407 -0.322 20 0 FBADHN COc1cc(OC)nc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C)C2)n1 ZINC001214968972 844512808 /nfs/dbraw/zinc/51/28/08/844512808.db2.gz GIBQVIDCEUSSPI-GHMZBOCLSA-N 0 3 351.407 -0.368 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1C ZINC001214969498 844512852 /nfs/dbraw/zinc/51/28/52/844512852.db2.gz SMWXXGZEVXUJKY-GHMZBOCLSA-N 0 3 351.407 -0.320 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCCC2)C1)S(C)(=O)=O ZINC001214970753 844512894 /nfs/dbraw/zinc/51/28/94/844512894.db2.gz BWPSULJRRCOBFC-MBNYWOFBSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCCC2)C1)S(C)(=O)=O ZINC001214970754 844512840 /nfs/dbraw/zinc/51/28/40/844512840.db2.gz BWPSULJRRCOBFC-YRGRVCCFSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C)C(=O)NC(N)=O ZINC001214971021 844512977 /nfs/dbraw/zinc/51/29/77/844512977.db2.gz JKOXPDWZQJXAJR-KHQFGBGNSA-N 0 3 356.814 -0.293 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C)C(=O)NC(N)=O ZINC001214971022 844512955 /nfs/dbraw/zinc/51/29/55/844512955.db2.gz JKOXPDWZQJXAJR-NQMVMOMDSA-N 0 3 356.814 -0.293 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CCC2)C1)S(C)(=O)=O ZINC001214971035 844512997 /nfs/dbraw/zinc/51/29/97/844512997.db2.gz JYVUQRHCOMBSNI-MBNYWOFBSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CCC2)C1)S(C)(=O)=O ZINC001214971036 844513064 /nfs/dbraw/zinc/51/30/64/844513064.db2.gz JYVUQRHCOMBSNI-YRGRVCCFSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1)S(C)(=O)=O ZINC001214971044 844512680 /nfs/dbraw/zinc/51/26/80/844512680.db2.gz KFZSZVFQPVKOHV-MBNYWOFBSA-N 0 3 371.459 -0.235 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1)S(C)(=O)=O ZINC001214971045 844512964 /nfs/dbraw/zinc/51/29/64/844512964.db2.gz KFZSZVFQPVKOHV-YRGRVCCFSA-N 0 3 371.459 -0.235 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C ZINC001214971048 844512787 /nfs/dbraw/zinc/51/27/87/844512787.db2.gz KHRZHPCHEBMHMZ-LDYMZIIASA-N 0 3 355.345 -0.135 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC2CC2)C1)S(C)(=O)=O ZINC001214971074 844512732 /nfs/dbraw/zinc/51/27/32/844512732.db2.gz KXMAKKVXBYYHMX-MBNYWOFBSA-N 0 3 359.492 -0.276 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC2CC2)C1)S(C)(=O)=O ZINC001214971075 844513013 /nfs/dbraw/zinc/51/30/13/844513013.db2.gz KXMAKKVXBYYHMX-YRGRVCCFSA-N 0 3 359.492 -0.276 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C ZINC001214971090 844512695 /nfs/dbraw/zinc/51/26/95/844512695.db2.gz LLKDOXZKZNZOTJ-FRRDWIJNSA-N 0 3 363.480 -0.991 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C ZINC001214971091 844512986 /nfs/dbraw/zinc/51/29/86/844512986.db2.gz LLKDOXZKZNZOTJ-JHJVBQTASA-N 0 3 363.480 -0.991 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C ZINC001214971261 844512886 /nfs/dbraw/zinc/51/28/86/844512886.db2.gz OMURDWTVOZYAHN-FRRDWIJNSA-N 0 3 363.480 -0.991 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C ZINC001214971262 844512942 /nfs/dbraw/zinc/51/29/42/844512942.db2.gz OMURDWTVOZYAHN-JHJVBQTASA-N 0 3 363.480 -0.991 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C ZINC001214971591 844512665 /nfs/dbraw/zinc/51/26/65/844512665.db2.gz ZTBUVZHINYIOCG-FXPVBKGRSA-N 0 3 370.841 -0.032 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1C ZINC001214971592 844512858 /nfs/dbraw/zinc/51/28/58/844512858.db2.gz ZTBUVZHINYIOCG-WCABBAIRSA-N 0 3 370.841 -0.032 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C ZINC001214972979 844513050 /nfs/dbraw/zinc/51/30/50/844513050.db2.gz GPGILVGWLVHTEB-MBNYWOFBSA-N 0 3 359.492 -0.085 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C ZINC001214972980 844512778 /nfs/dbraw/zinc/51/27/78/844512778.db2.gz GPGILVGWLVHTEB-YRGRVCCFSA-N 0 3 359.492 -0.085 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C)C1CC1 ZINC001214973023 844512799 /nfs/dbraw/zinc/51/27/99/844512799.db2.gz ITMSBTMUGVEGBM-MBNYWOFBSA-N 0 3 359.492 -0.133 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C)C1CC1 ZINC001214973024 844513150 /nfs/dbraw/zinc/51/31/50/844513150.db2.gz ITMSBTMUGVEGBM-YRGRVCCFSA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001214973062 844512907 /nfs/dbraw/zinc/51/29/07/844512907.db2.gz KXQBOKDWFCSZMF-TZMCWYRMSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C)C(=O)NC(N)=O ZINC001214973069 844512816 /nfs/dbraw/zinc/51/28/16/844512816.db2.gz LILSTEKVZRYFLF-SOCHQFKDSA-N 0 3 355.345 -0.007 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C)C(=O)NC(N)=O ZINC001214973070 844512620 /nfs/dbraw/zinc/51/26/20/844512620.db2.gz LILSTEKVZRYFLF-VHSKPIJISA-N 0 3 355.345 -0.007 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C ZINC001214973118 844513089 /nfs/dbraw/zinc/51/30/89/844513089.db2.gz NFTFTYLZJMKXGZ-TZMCWYRMSA-N 0 3 359.492 -0.084 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NCC(=O)NC1CCCC1 ZINC001214976037 844513695 /nfs/dbraw/zinc/51/36/95/844513695.db2.gz GJSMCZCPJMJSRF-TZMCWYRMSA-N 0 3 359.492 -0.084 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C ZINC001214976150 844513840 /nfs/dbraw/zinc/51/38/40/844513840.db2.gz JMYWQCCMYLOYJD-CHWSQXEVSA-N 0 3 363.480 -0.990 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C ZINC001214976269 844513881 /nfs/dbraw/zinc/51/38/81/844513881.db2.gz MYRMVJVICGCVLP-CHWSQXEVSA-N 0 3 363.480 -0.990 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NCC(=O)NCc1ccco1 ZINC001214976345 844513704 /nfs/dbraw/zinc/51/37/04/844513704.db2.gz PUCIXJVTJKFCEI-TZMCWYRMSA-N 0 3 371.459 -0.233 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NCC(=O)NCC1CCC1 ZINC001214976491 844513614 /nfs/dbraw/zinc/51/36/14/844513614.db2.gz UNWNIGNSOZVDEE-TZMCWYRMSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001214976542 844513858 /nfs/dbraw/zinc/51/38/58/844513858.db2.gz XCBDQXBORDSAJF-TZMCWYRMSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001214976558 844513787 /nfs/dbraw/zinc/51/37/87/844513787.db2.gz XVVDRRCRJVJOOA-ZIAGYGMSSA-N 0 3 359.492 -0.130 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C)C1CC1 ZINC001214979295 844513567 /nfs/dbraw/zinc/51/35/67/844513567.db2.gz HECQMJQTRKDUSU-MBNYWOFBSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C)C1CC1 ZINC001214979296 844513966 /nfs/dbraw/zinc/51/39/66/844513966.db2.gz HECQMJQTRKDUSU-YRGRVCCFSA-N 0 3 359.492 -0.228 20 0 FBADHN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214979508 844513773 /nfs/dbraw/zinc/51/37/73/844513773.db2.gz PGZGDFNNKDMGAO-ZIAGYGMSSA-N 0 3 361.508 -0.028 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214979528 844514010 /nfs/dbraw/zinc/51/40/10/844514010.db2.gz QBHGFQYRCYSHBY-UMVBOHGHSA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214979529 844513998 /nfs/dbraw/zinc/51/39/98/844513998.db2.gz QBHGFQYRCYSHBY-VNHYZAJKSA-N 0 3 350.463 -0.088 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C)C1CC1 ZINC001214979582 844513756 /nfs/dbraw/zinc/51/37/56/844513756.db2.gz SGSSDVIKJQPQLN-TZMCWYRMSA-N 0 3 359.492 -0.132 20 0 FBADHN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214979596 844515214 /nfs/dbraw/zinc/51/52/14/844515214.db2.gz SXYUBRDIRVVHOS-HZSPNIEDSA-N 0 3 359.492 -0.228 20 0 FBADHN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214979597 844514875 /nfs/dbraw/zinc/51/48/75/844514875.db2.gz SXYUBRDIRVVHOS-MGPQQGTHSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001214979650 844514914 /nfs/dbraw/zinc/51/49/14/844514914.db2.gz WHBPUSJFHHCDRV-BPLDGKMQSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001214979651 844515121 /nfs/dbraw/zinc/51/51/21/844515121.db2.gz WHBPUSJFHHCDRV-VHDGCEQUSA-N 0 3 350.463 -0.183 20 0 FBADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@H]2C)C1=O ZINC001214979689 844514860 /nfs/dbraw/zinc/51/48/60/844514860.db2.gz XYDGEDUHUKMHPN-HZSPNIEDSA-N 0 3 359.492 -0.133 20 0 FBADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@H]2C)C1=O ZINC001214979690 844515072 /nfs/dbraw/zinc/51/50/72/844515072.db2.gz XYDGEDUHUKMHPN-MGPQQGTHSA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1NCCS(C)(=O)=O ZINC001214982082 844514831 /nfs/dbraw/zinc/51/48/31/844514831.db2.gz MFEZSWOCVCWGMD-BXUZGUMPSA-N 0 3 353.444 -0.120 20 0 FBADHN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001214984281 844514729 /nfs/dbraw/zinc/51/47/29/844514729.db2.gz FKQVZGYDAMKZTI-TZMCWYRMSA-N 0 3 359.492 -0.228 20 0 FBADHN COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001214984284 844515041 /nfs/dbraw/zinc/51/50/41/844515041.db2.gz FQGPMKDBSLXRIB-IUODEOHRSA-N 0 3 370.475 -0.217 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)C[C@H]1C ZINC001214984303 844515345 /nfs/dbraw/zinc/51/53/45/844515345.db2.gz HBQGARMLQGQMDR-ZIAGYGMSSA-N 0 3 361.508 -0.028 20 0 FBADHN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCCNC2=O)C1 ZINC001214984308 844515089 /nfs/dbraw/zinc/51/50/89/844515089.db2.gz HFDHJXWFMQYVBK-HZSPNIEDSA-N 0 3 359.492 -0.228 20 0 FBADHN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001214984309 844514672 /nfs/dbraw/zinc/51/46/72/844514672.db2.gz HFDHJXWFMQYVBK-MGPQQGTHSA-N 0 3 359.492 -0.228 20 0 FBADHN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001214984339 844515282 /nfs/dbraw/zinc/51/52/82/844515282.db2.gz IWWAXGCZFUBMRI-CHWSQXEVSA-N 0 3 368.521 -0.462 20 0 FBADHN COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1 ZINC001214984354 844514713 /nfs/dbraw/zinc/51/47/13/844514713.db2.gz JVOWOROAXGVXBP-TZMCWYRMSA-N 0 3 358.464 -0.582 20 0 FBADHN COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1 ZINC001214984407 844514749 /nfs/dbraw/zinc/51/47/49/844514749.db2.gz MKBOTIJOMKWNPR-TZMCWYRMSA-N 0 3 358.464 -0.582 20 0 FBADHN COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)C)C1 ZINC001214984409 844515316 /nfs/dbraw/zinc/51/53/16/844515316.db2.gz MKOKPBIDOZQBNS-CHWSQXEVSA-N 0 3 363.480 -0.991 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C ZINC001214984479 844515183 /nfs/dbraw/zinc/51/51/83/844515183.db2.gz PIMSWFQSHRGGJI-CHWSQXEVSA-N 0 3 363.480 -0.990 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ZINC001215029283 844519034 /nfs/dbraw/zinc/51/90/34/844519034.db2.gz HAKQEASRZZGTNI-CKYFFXLPSA-N 0 3 354.386 -0.514 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1C)C(=O)NC(N)=O ZINC001215029288 844518889 /nfs/dbraw/zinc/51/88/89/844518889.db2.gz HAKQEASRZZGTNI-JFGNBEQYSA-N 0 3 354.386 -0.514 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1NCC(=O)NC1CC1 ZINC001215029290 844519117 /nfs/dbraw/zinc/51/91/17/844519117.db2.gz HBHJVINPOQSTHS-XZNOPERXSA-N 0 3 350.463 -0.007 20 0 FBADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C ZINC001215029360 844518923 /nfs/dbraw/zinc/51/89/23/844518923.db2.gz INSPKYJBCVZEBR-GRYCIOLGSA-N 0 3 362.421 -0.035 20 0 FBADHN CC(C)[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C ZINC001215029361 844518771 /nfs/dbraw/zinc/51/87/71/844518771.db2.gz INSPKYJBCVZEBR-IJLUTSLNSA-N 0 3 362.421 -0.035 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1C ZINC001215029469 844518531 /nfs/dbraw/zinc/51/85/31/844518531.db2.gz KJFPTEDHZZTNGD-ZYHUDNBSSA-N 0 3 354.386 -0.642 20 0 FBADHN C[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1NCCS(C)(=O)=O ZINC001215029738 844518584 /nfs/dbraw/zinc/51/85/84/844518584.db2.gz QGUIEGWLGQSILM-BLYZHGLHSA-N 0 3 359.492 -0.241 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215030015 844518793 /nfs/dbraw/zinc/51/87/93/844518793.db2.gz ZYBLNXRYLNIZRP-ZYHUDNBSSA-N 0 3 360.405 -0.280 20 0 FBADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@H]2C)C1=O ZINC001215031285 844518660 /nfs/dbraw/zinc/51/86/60/844518660.db2.gz AAULRDXBUKROJJ-GRYCIOLGSA-N 0 3 360.405 -0.187 20 0 FBADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@H]2C)C1=O ZINC001215031286 844518564 /nfs/dbraw/zinc/51/85/64/844518564.db2.gz AAULRDXBUKROJJ-IJLUTSLNSA-N 0 3 360.405 -0.187 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C)C1CC1 ZINC001215031371 844518809 /nfs/dbraw/zinc/51/88/09/844518809.db2.gz FUFPNNMLOFDCHW-ZYHUDNBSSA-N 0 3 360.405 -0.185 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)C[C@H]1NCC(=O)NC(N)=O ZINC001215031422 844519124 /nfs/dbraw/zinc/51/91/24/844519124.db2.gz IMBUBTDAQPVGAN-ZYHUDNBSSA-N 0 3 350.423 -0.117 20 0 FBADHN CC(C)CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C ZINC001215031425 844518992 /nfs/dbraw/zinc/51/89/92/844518992.db2.gz INUINFAAPOAAOX-GRYCIOLGSA-N 0 3 362.421 -0.035 20 0 FBADHN CC(C)CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C ZINC001215031426 844518840 /nfs/dbraw/zinc/51/88/40/844518840.db2.gz INUINFAAPOAAOX-IJLUTSLNSA-N 0 3 362.421 -0.035 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001215031562 844519803 /nfs/dbraw/zinc/51/98/03/844519803.db2.gz OFMKDDIHSCJLIA-GHMZBOCLSA-N 0 3 362.421 -0.034 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C)C1CC1 ZINC001215031584 844519581 /nfs/dbraw/zinc/51/95/81/844519581.db2.gz OYVRKCJCXOPLLV-CKYFFXLPSA-N 0 3 360.405 -0.281 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C)C1CC1 ZINC001215031585 844519815 /nfs/dbraw/zinc/51/98/15/844519815.db2.gz OYVRKCJCXOPLLV-JFGNBEQYSA-N 0 3 360.405 -0.281 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C ZINC001215033494 844519910 /nfs/dbraw/zinc/51/99/10/844519910.db2.gz ADXDXHRKKREXLF-HZSPNIEDSA-N 0 3 354.451 -0.898 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C ZINC001215033495 844519598 /nfs/dbraw/zinc/51/95/98/844519598.db2.gz ADXDXHRKKREXLF-MGPQQGTHSA-N 0 3 354.451 -0.898 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215033514 844519686 /nfs/dbraw/zinc/51/96/86/844519686.db2.gz AUIXNAYMQSKXKI-GMTAPVOTSA-N 0 3 364.368 -0.372 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215033515 844519698 /nfs/dbraw/zinc/51/96/98/844519698.db2.gz AUIXNAYMQSKXKI-OUAUKWLOSA-N 0 3 364.368 -0.372 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215033650 844519982 /nfs/dbraw/zinc/51/99/82/844519982.db2.gz IJTGQRCEKSAKOS-BPLDGKMQSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215033651 844520062 /nfs/dbraw/zinc/52/00/62/844520062.db2.gz IJTGQRCEKSAKOS-VHDGCEQUSA-N 0 3 350.463 -0.135 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C ZINC001215033683 844519782 /nfs/dbraw/zinc/51/97/82/844519782.db2.gz JGZCASYDGQWCTG-HZSPNIEDSA-N 0 3 354.451 -0.898 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C ZINC001215033684 844519793 /nfs/dbraw/zinc/51/97/93/844519793.db2.gz JGZCASYDGQWCTG-MGPQQGTHSA-N 0 3 354.451 -0.898 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1C ZINC001215033799 844519762 /nfs/dbraw/zinc/51/97/62/844519762.db2.gz NFQIYKPVDJXIIP-NXEZZACHSA-N 0 3 368.356 -0.153 20 0 FBADHN C[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1NCC(=O)NC(N)=O ZINC001215033967 844519625 /nfs/dbraw/zinc/51/96/25/844519625.db2.gz SUJMPCVLJCYTOJ-RKDXNWHRSA-N 0 3 354.329 -0.413 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215034100 844520028 /nfs/dbraw/zinc/52/00/28/844520028.db2.gz ZEFCHXLSQKDSIJ-BPLDGKMQSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215034101 844519673 /nfs/dbraw/zinc/51/96/73/844519673.db2.gz ZEFCHXLSQKDSIJ-VHDGCEQUSA-N 0 3 350.463 -0.183 20 0 FBADHN CCCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001215036012 844519875 /nfs/dbraw/zinc/51/98/75/844519875.db2.gz LTSYBSHZLDNCCX-ZWNOBZJWSA-N 0 3 350.423 -0.132 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C)C1CC1 ZINC001215036281 844520039 /nfs/dbraw/zinc/52/00/39/844520039.db2.gz VGIORQNMRUAQNY-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C)C1CC1 ZINC001215036282 844519732 /nfs/dbraw/zinc/51/97/32/844519732.db2.gz VGIORQNMRUAQNY-VNHYZAJKSA-N 0 3 350.463 -0.040 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1C ZINC001215037761 844519889 /nfs/dbraw/zinc/51/98/89/844519889.db2.gz DZDPODMGTAWWFO-ZWNOBZJWSA-N 0 3 350.423 -0.132 20 0 FBADHN CCCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001215037771 844519853 /nfs/dbraw/zinc/51/98/53/844519853.db2.gz FJXPEZBHUOOBQR-GBIKHYSHSA-N 0 3 350.423 -0.004 20 0 FBADHN CCCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001215037772 844519996 /nfs/dbraw/zinc/51/99/96/844519996.db2.gz FJXPEZBHUOOBQR-GIPNMCIBSA-N 0 3 350.423 -0.004 20 0 FBADHN CCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001215040841 844520409 /nfs/dbraw/zinc/52/04/09/844520409.db2.gz SNUTTZSMKFPDPQ-GBIKHYSHSA-N 0 3 350.423 -0.134 20 0 FBADHN CCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001215040842 844520705 /nfs/dbraw/zinc/52/07/05/844520705.db2.gz SNUTTZSMKFPDPQ-GIPNMCIBSA-N 0 3 350.423 -0.134 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1C)C(=O)NC(N)=O ZINC001215040845 844520686 /nfs/dbraw/zinc/52/06/86/844520686.db2.gz SRKOQDQUYDBLOZ-KXUCPTDWSA-N 0 3 368.356 -0.025 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H]1C)C(=O)NC(N)=O ZINC001215040846 844520648 /nfs/dbraw/zinc/52/06/48/844520648.db2.gz SRKOQDQUYDBLOZ-OPRDCNLKSA-N 0 3 368.356 -0.025 20 0 FBADHN C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1NCC(=O)NC(N)=O ZINC001215040917 844520469 /nfs/dbraw/zinc/52/04/69/844520469.db2.gz WBTKMYOIRJXIPX-FRRDWIJNSA-N 0 3 356.423 -0.797 20 0 FBADHN C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1NCC(=O)NC(N)=O ZINC001215040918 844520773 /nfs/dbraw/zinc/52/07/73/844520773.db2.gz WBTKMYOIRJXIPX-JHJVBQTASA-N 0 3 356.423 -0.797 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1NCC(=O)NC(N)=O ZINC001215043073 844520522 /nfs/dbraw/zinc/52/05/22/844520522.db2.gz VWONTYZUWMTWEB-MWLCHTKSSA-N 0 3 350.423 -0.048 20 0 FBADHN CC(=O)Nc1nc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)cs1 ZINC001215046635 844520810 /nfs/dbraw/zinc/52/08/10/844520810.db2.gz ACOJAWGWLSBSMK-VXNVDRBHSA-N 0 3 368.419 -0.654 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1NCC(=O)NCC1CC1 ZINC001215047902 844520636 /nfs/dbraw/zinc/52/06/36/844520636.db2.gz WESGDRCUDFPDJC-UKRRQHHQSA-N 0 3 350.463 -0.038 20 0 FBADHN Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001215049148 844520783 /nfs/dbraw/zinc/52/07/83/844520783.db2.gz HYYYLUXHGMBHCI-IUODEOHRSA-N 0 3 352.435 -0.131 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C ZINC001215049194 844520609 /nfs/dbraw/zinc/52/06/09/844520609.db2.gz KBQMDXWIEGAYCY-TZMCWYRMSA-N 0 3 350.419 -0.709 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C)C(=O)NC(N)=O ZINC001215049202 844520765 /nfs/dbraw/zinc/52/07/65/844520765.db2.gz KOUAHKVVDNSLEL-GRYCIOLGSA-N 0 3 353.423 -0.981 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C)C(=O)NC(N)=O ZINC001215049203 844520832 /nfs/dbraw/zinc/52/08/32/844520832.db2.gz KOUAHKVVDNSLEL-IJLUTSLNSA-N 0 3 353.423 -0.981 20 0 FBADHN Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001215049542 844520723 /nfs/dbraw/zinc/52/07/23/844520723.db2.gz XRXRJFAUYGNSHA-BXUZGUMPSA-N 0 3 370.475 -0.096 20 0 FBADHN COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001215049573 844520892 /nfs/dbraw/zinc/52/08/92/844520892.db2.gz YKPFKQKIAKVKIP-OSAQELSMSA-N 0 3 352.435 -0.133 20 0 FBADHN COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001215049579 844520802 /nfs/dbraw/zinc/52/08/02/844520802.db2.gz YKPFKQKIAKVKIP-UXIGCNINSA-N 0 3 352.435 -0.133 20 0 FBADHN CCCc1c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)cnn1C ZINC001215052182 844521519 /nfs/dbraw/zinc/52/15/19/844521519.db2.gz BIJDFAMWXAHEEX-ZYHUDNBSSA-N 0 3 350.423 -0.382 20 0 FBADHN CCc1c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)cnn1C ZINC001215052291 844521972 /nfs/dbraw/zinc/52/19/72/844521972.db2.gz HDAQCWGLBAEQKF-ZYHUDNBSSA-N 0 3 350.423 -0.512 20 0 FBADHN CCc1c(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)cnn1C ZINC001215052658 844521992 /nfs/dbraw/zinc/52/19/92/844521992.db2.gz YBNMAZOHCONEMC-CKYFFXLPSA-N 0 3 350.423 -0.384 20 0 FBADHN CCc1c(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)cnn1C ZINC001215052659 844522095 /nfs/dbraw/zinc/52/20/95/844522095.db2.gz YBNMAZOHCONEMC-JFGNBEQYSA-N 0 3 350.423 -0.384 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C ZINC001215054403 844521777 /nfs/dbraw/zinc/52/17/77/844521777.db2.gz AQQMODUBMZXXSN-GHMZBOCLSA-N 0 3 363.447 -0.090 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054421 844521732 /nfs/dbraw/zinc/52/17/32/844521732.db2.gz BTWFNSGHSZYIBY-ZIAGYGMSSA-N 0 3 353.467 -0.293 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054425 844521815 /nfs/dbraw/zinc/52/18/15/844521815.db2.gz BXGOYWAGWAHOSL-ZIAGYGMSSA-N 0 3 353.467 -0.295 20 0 FBADHN C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1NCC(=O)N(C)C ZINC001215054434 844522081 /nfs/dbraw/zinc/52/20/81/844522081.db2.gz CNVCSTHCJCRHRS-GHMZBOCLSA-N 0 3 363.447 -0.138 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215054442 844521414 /nfs/dbraw/zinc/52/14/14/844521414.db2.gz CYTIZNAFMICODN-CHWSQXEVSA-N 0 3 353.467 -0.247 20 0 FBADHN CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054450 844522065 /nfs/dbraw/zinc/52/20/65/844522065.db2.gz DMWQWYDPKGBSSO-HZSPNIEDSA-N 0 3 353.467 -0.247 20 0 FBADHN CC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054451 844521690 /nfs/dbraw/zinc/52/16/90/844521690.db2.gz DMWQWYDPKGBSSO-MGPQQGTHSA-N 0 3 353.467 -0.247 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1NCCNS(C)(=O)=O ZINC001215054505 844521449 /nfs/dbraw/zinc/52/14/49/844521449.db2.gz GOIXKMOZMRNFCG-TZMCWYRMSA-N 0 3 368.459 -0.389 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215054647 844521462 /nfs/dbraw/zinc/52/14/62/844521462.db2.gz MEGRYXQVSFHBEJ-TZMCWYRMSA-N 0 3 351.451 -0.541 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054691 844521534 /nfs/dbraw/zinc/52/15/34/844521534.db2.gz OLLQGHDHSOPPRY-ZIAGYGMSSA-N 0 3 353.467 -0.390 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C)C(=O)NC1CC1 ZINC001215054750 844521404 /nfs/dbraw/zinc/52/14/04/844521404.db2.gz RVUWKBGYXWMVSU-MBNYWOFBSA-N 0 3 351.451 -0.495 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C)C(=O)NC1CC1 ZINC001215054751 844521862 /nfs/dbraw/zinc/52/18/62/844521862.db2.gz RVUWKBGYXWMVSU-YRGRVCCFSA-N 0 3 351.451 -0.495 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215054798 844521677 /nfs/dbraw/zinc/52/16/77/844521677.db2.gz VBDSLHADNOPUDB-ZIAGYGMSSA-N 0 3 353.467 -0.246 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1NCC(=O)NCC1CC1 ZINC001215054838 844521619 /nfs/dbraw/zinc/52/16/19/844521619.db2.gz WWNNPZGQQCXVNZ-TZMCWYRMSA-N 0 3 351.451 -0.636 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C ZINC001215056720 844521607 /nfs/dbraw/zinc/52/16/07/844521607.db2.gz DMSLTAIKILLFSO-GMTAPVOTSA-N 0 3 363.447 -0.092 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C ZINC001215056721 844521651 /nfs/dbraw/zinc/52/16/51/844521651.db2.gz DMSLTAIKILLFSO-OUAUKWLOSA-N 0 3 363.447 -0.092 20 0 FBADHN CCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215056836 844521381 /nfs/dbraw/zinc/52/13/81/844521381.db2.gz KICZZTUGFSMQCA-HZSPNIEDSA-N 0 3 353.467 -0.247 20 0 FBADHN CCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001215056837 844521712 /nfs/dbraw/zinc/52/17/12/844521712.db2.gz KICZZTUGFSMQCA-MGPQQGTHSA-N 0 3 353.467 -0.247 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1NCCS(C)(=O)=O ZINC001215057156 844521482 /nfs/dbraw/zinc/52/14/82/844521482.db2.gz ZCCXNOIVQZYZBH-VXGBXAGGSA-N 0 3 351.432 -0.176 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@H]1NCCS(C)(=O)=O ZINC001215058489 844521943 /nfs/dbraw/zinc/52/19/43/844521943.db2.gz SHEFVJSEXRSTOK-DGCLKSJQSA-N 0 3 369.443 -0.053 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C ZINC001215060349 844521559 /nfs/dbraw/zinc/52/15/59/844521559.db2.gz BJVYRAQESWAWNK-HZSPNIEDSA-N 0 3 355.483 -0.986 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C ZINC001215060350 844521833 /nfs/dbraw/zinc/52/18/33/844521833.db2.gz BJVYRAQESWAWNK-MGPQQGTHSA-N 0 3 355.483 -0.986 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@H]1NCCS(C)(=O)=O ZINC001215060506 844521756 /nfs/dbraw/zinc/52/17/56/844521756.db2.gz KARNNCGCMDLEAO-ZWNOBZJWSA-N 0 3 366.443 -0.329 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C ZINC001215060563 844522957 /nfs/dbraw/zinc/52/29/57/844522957.db2.gz MXOWGZNDDUXKJO-ZIAGYGMSSA-N 0 3 355.483 -0.985 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1NCCS(C)(=O)=O ZINC001215062705 844522576 /nfs/dbraw/zinc/52/25/76/844522576.db2.gz DVJBCQIOYXJWBB-DGCLKSJQSA-N 0 3 356.448 -0.240 20 0 FBADHN Cc1nn(C)c(Cl)c1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215064813 844522918 /nfs/dbraw/zinc/52/29/18/844522918.db2.gz MXHUEIPRWABHPU-LDYMZIIASA-N 0 3 370.841 -0.444 20 0 FBADHN CCOc1nc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)co1 ZINC001215064913 844522754 /nfs/dbraw/zinc/52/27/54/844522754.db2.gz OIWVUBLAQVXQBC-KXUCPTDWSA-N 0 3 353.379 -0.293 20 0 FBADHN CCOc1nc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)co1 ZINC001215064916 844522823 /nfs/dbraw/zinc/52/28/23/844522823.db2.gz OIWVUBLAQVXQBC-OPRDCNLKSA-N 0 3 353.379 -0.293 20 0 FBADHN CCOc1nc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)co1 ZINC001215064984 844523002 /nfs/dbraw/zinc/52/30/02/844523002.db2.gz QYUZTGJSZJPMBS-NXEZZACHSA-N 0 3 353.379 -0.421 20 0 FBADHN C[C@@H]1CN(C(=O)c2coc(C(F)(F)F)n2)C[C@H]1NCC(=O)NC(N)=O ZINC001215065205 844522642 /nfs/dbraw/zinc/52/26/42/844522642.db2.gz VXIZIBIPHYDIQJ-RNFRBKRXSA-N 0 3 363.296 -0.062 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1NCCS(C)(=O)=O ZINC001215070996 844522779 /nfs/dbraw/zinc/52/27/79/844522779.db2.gz DZGWVWCTQJMSLK-ZYHUDNBSSA-N 0 3 356.448 -0.781 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1C ZINC001215071321 844522831 /nfs/dbraw/zinc/52/28/31/844522831.db2.gz VBFWFKKZLWSXOU-CKYFFXLPSA-N 0 3 355.464 -0.066 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1C ZINC001215071322 844522795 /nfs/dbraw/zinc/52/27/95/844522795.db2.gz VBFWFKKZLWSXOU-JFGNBEQYSA-N 0 3 355.464 -0.066 20 0 FBADHN C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1NCCS(C)(=O)=O ZINC001215071380 844522889 /nfs/dbraw/zinc/52/28/89/844522889.db2.gz YPJFVXAFEDEMCV-VXGBXAGGSA-N 0 3 351.432 -0.176 20 0 FBADHN Cc1nnc(COCC(=O)N2C[C@@H](C)[C@H](N[C@H]3CCNC3=O)C2)s1 ZINC001215072945 844522629 /nfs/dbraw/zinc/52/26/29/844522629.db2.gz BWKWUTGZQLAXBM-ADEWGFFLSA-N 0 3 353.448 -0.312 20 0 FBADHN Cc1nnc(COCC(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCNC3=O)C2)s1 ZINC001215072946 844522608 /nfs/dbraw/zinc/52/26/08/844522608.db2.gz BWKWUTGZQLAXBM-YUSALJHKSA-N 0 3 353.448 -0.312 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)COCc2nnc(C)s2)C[C@H]1C ZINC001215073149 844522660 /nfs/dbraw/zinc/52/26/60/844522660.db2.gz HGTDBTBMGNMJHY-ZYHUDNBSSA-N 0 3 355.464 -0.064 20 0 FBADHN Cc1nnc(COCC(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C)C2)s1 ZINC001215073496 844524013 /nfs/dbraw/zinc/52/40/13/844524013.db2.gz TZDIVAVTRVBYHC-ZYHUDNBSSA-N 0 3 355.464 -0.112 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC001215075091 844523882 /nfs/dbraw/zinc/52/38/82/844523882.db2.gz DRZSCGMJXKGSKD-VXGBXAGGSA-N 0 3 350.423 -0.294 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC001215075278 844523548 /nfs/dbraw/zinc/52/35/48/844523548.db2.gz KTQOERHBNYYXEL-GRYCIOLGSA-N 0 3 350.423 -0.296 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC001215075279 844523839 /nfs/dbraw/zinc/52/38/39/844523839.db2.gz KTQOERHBNYYXEL-IJLUTSLNSA-N 0 3 350.423 -0.296 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001215083668 844523968 /nfs/dbraw/zinc/52/39/68/844523968.db2.gz HQPQHUZXXBJLMP-PSASIEDQSA-N 0 3 354.436 -0.394 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2snnc2CC)C[C@H]1C ZINC001215083786 844523762 /nfs/dbraw/zinc/52/37/62/844523762.db2.gz MZMKOWCUTSXWAV-MWLCHTKSSA-N 0 3 368.463 -0.004 20 0 FBADHN C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215085536 844523850 /nfs/dbraw/zinc/52/38/50/844523850.db2.gz AFCBCJHHYPHGOJ-TZMCWYRMSA-N 0 3 353.467 -0.118 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001215085545 844523642 /nfs/dbraw/zinc/52/36/42/844523642.db2.gz AWMYPGYAWKJQOS-FXPVBKGRSA-N 0 3 368.463 -0.005 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001215085549 844523946 /nfs/dbraw/zinc/52/39/46/844523946.db2.gz AWMYPGYAWKJQOS-WCABBAIRSA-N 0 3 368.463 -0.005 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C)C(=O)NC1CC1 ZINC001215085715 844523659 /nfs/dbraw/zinc/52/36/59/844523659.db2.gz GBBZPYQMRSYNGV-MBNYWOFBSA-N 0 3 353.467 -0.071 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C)C(=O)NC1CC1 ZINC001215085716 844523807 /nfs/dbraw/zinc/52/38/07/844523807.db2.gz GBBZPYQMRSYNGV-YRGRVCCFSA-N 0 3 353.467 -0.071 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001215086003 844523821 /nfs/dbraw/zinc/52/38/21/844523821.db2.gz OPWJKVIGILECSJ-KHQFGBGNSA-N 0 3 354.436 -0.266 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001215086004 844523908 /nfs/dbraw/zinc/52/39/08/844523908.db2.gz OPWJKVIGILECSJ-NQMVMOMDSA-N 0 3 354.436 -0.266 20 0 FBADHN C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001215086193 844523925 /nfs/dbraw/zinc/52/39/25/844523925.db2.gz XLXHQDSJWCAMPU-ZIAGYGMSSA-N 0 3 353.467 -0.116 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCCNC(N)=O)C[C@H]2C)C1=O ZINC001215088051 844523316 /nfs/dbraw/zinc/52/33/16/844523316.db2.gz LLHZYKNLFFLEBG-HZSPNIEDSA-N 0 3 353.467 -0.118 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCCNC(N)=O)C[C@H]2C)C1=O ZINC001215088052 844523898 /nfs/dbraw/zinc/52/38/98/844523898.db2.gz LLHZYKNLFFLEBG-MGPQQGTHSA-N 0 3 353.467 -0.118 20 0 FBADHN C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1NCC(=O)NCC1CC1 ZINC001215088271 844523786 /nfs/dbraw/zinc/52/37/86/844523786.db2.gz RDFHXQCEIGIVLH-TZMCWYRMSA-N 0 3 353.467 -0.212 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215090006 844523738 /nfs/dbraw/zinc/52/37/38/844523738.db2.gz CXTFWHFUZFPGPH-BPLDGKMQSA-N 0 3 371.503 -0.226 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215090007 844523360 /nfs/dbraw/zinc/52/33/60/844523360.db2.gz CXTFWHFUZFPGPH-VHDGCEQUSA-N 0 3 371.503 -0.226 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090081 844523976 /nfs/dbraw/zinc/52/39/76/844523976.db2.gz GYPHEZUSNMDFDF-HZSPNIEDSA-N 0 3 359.492 -0.226 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090082 844523393 /nfs/dbraw/zinc/52/33/93/844523393.db2.gz GYPHEZUSNMDFDF-MGPQQGTHSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001215090107 844523471 /nfs/dbraw/zinc/52/34/71/844523471.db2.gz IRWBAZYCFMUJGO-MBNYWOFBSA-N 0 3 357.476 -0.474 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001215090108 844523775 /nfs/dbraw/zinc/52/37/75/844523775.db2.gz IRWBAZYCFMUJGO-YRGRVCCFSA-N 0 3 357.476 -0.474 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215090276 844523338 /nfs/dbraw/zinc/52/33/38/844523338.db2.gz MBFNZMCXLOCDEU-UMVBOHGHSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215090277 844523938 /nfs/dbraw/zinc/52/39/38/844523938.db2.gz MBFNZMCXLOCDEU-VNHYZAJKSA-N 0 3 371.503 -0.132 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090314 844523794 /nfs/dbraw/zinc/52/37/94/844523794.db2.gz OFAJGPPHYPGZIY-HZSPNIEDSA-N 0 3 359.492 -0.274 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090315 844523571 /nfs/dbraw/zinc/52/35/71/844523571.db2.gz OFAJGPPHYPGZIY-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C ZINC001215090667 844524340 /nfs/dbraw/zinc/52/43/40/844524340.db2.gz WGUGINDDCHJYLJ-ZYHUDNBSSA-N 0 3 363.443 -0.058 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090675 844524957 /nfs/dbraw/zinc/52/49/57/844524957.db2.gz WPGNJWYFZDGSJR-HZSPNIEDSA-N 0 3 359.492 -0.228 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215090676 844524935 /nfs/dbraw/zinc/52/49/35/844524935.db2.gz WPGNJWYFZDGSJR-MGPQQGTHSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1NCC(=O)N(C)C ZINC001215090702 844524668 /nfs/dbraw/zinc/52/46/68/844524668.db2.gz XHCGOWQKSHGIMT-ZYHUDNBSSA-N 0 3 363.443 -0.106 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215092132 844524722 /nfs/dbraw/zinc/52/47/22/844524722.db2.gz BCJUJIPTTJJTBY-BPLDGKMQSA-N 0 3 371.503 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215092133 844524602 /nfs/dbraw/zinc/52/46/02/844524602.db2.gz BCJUJIPTTJJTBY-VHDGCEQUSA-N 0 3 371.503 -0.274 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C)C(=O)N(C)C ZINC001215092188 844524679 /nfs/dbraw/zinc/52/46/79/844524679.db2.gz CVPKDVJRWXYLSF-FRRDWIJNSA-N 0 3 352.435 -0.561 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C)C(=O)N(C)C ZINC001215092189 844524622 /nfs/dbraw/zinc/52/46/22/844524622.db2.gz CVPKDVJRWXYLSF-JHJVBQTASA-N 0 3 352.435 -0.561 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092202 844524860 /nfs/dbraw/zinc/52/48/60/844524860.db2.gz DXIOEJCGYVSQDD-HZSPNIEDSA-N 0 3 359.492 -0.276 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092203 844524311 /nfs/dbraw/zinc/52/43/11/844524311.db2.gz DXIOEJCGYVSQDD-MGPQQGTHSA-N 0 3 359.492 -0.276 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215092214 844524907 /nfs/dbraw/zinc/52/49/07/844524907.db2.gz FJEVUDOOQZIPCU-MBNYWOFBSA-N 0 3 357.476 -0.522 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215092215 844524473 /nfs/dbraw/zinc/52/44/73/844524473.db2.gz FJEVUDOOQZIPCU-YRGRVCCFSA-N 0 3 357.476 -0.522 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215092238 844524753 /nfs/dbraw/zinc/52/47/53/844524753.db2.gz GHDDBCGJLGBHMV-UMVBOHGHSA-N 0 3 371.503 -0.084 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215092239 844524743 /nfs/dbraw/zinc/52/47/43/844524743.db2.gz GHDDBCGJLGBHMV-VNHYZAJKSA-N 0 3 371.503 -0.084 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC001215092250 844524488 /nfs/dbraw/zinc/52/44/88/844524488.db2.gz GTSDWVWACKPLNQ-CHWSQXEVSA-N 0 3 352.435 -0.513 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1NCC(=O)NC1CC1 ZINC001215092277 844524454 /nfs/dbraw/zinc/52/44/54/844524454.db2.gz HZTSLBBIIQYKGO-DGCLKSJQSA-N 0 3 350.419 -0.759 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215092284 844524872 /nfs/dbraw/zinc/52/48/72/844524872.db2.gz IJAMIQQYPUSSAX-FRRDWIJNSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215092285 844524583 /nfs/dbraw/zinc/52/45/83/844524583.db2.gz IJAMIQQYPUSSAX-JHJVBQTASA-N 0 3 359.492 -0.228 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC001215092292 844524825 /nfs/dbraw/zinc/52/48/25/844524825.db2.gz IMZDLDLZGDOETC-CHWSQXEVSA-N 0 3 352.435 -0.512 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1NCCS(C)(=O)=O ZINC001215092426 844524946 /nfs/dbraw/zinc/52/49/46/844524946.db2.gz KGHQPOTVGHOVKF-VXGBXAGGSA-N 0 3 359.448 -0.993 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092431 844524567 /nfs/dbraw/zinc/52/45/67/844524567.db2.gz KLHVZQXWVAUSNI-HZSPNIEDSA-N 0 3 359.492 -0.370 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092432 844524575 /nfs/dbraw/zinc/52/45/75/844524575.db2.gz KLHVZQXWVAUSNI-MGPQQGTHSA-N 0 3 359.492 -0.370 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C ZINC001215092631 844524733 /nfs/dbraw/zinc/52/47/33/844524733.db2.gz OAOBETUPSXTICX-CKYFFXLPSA-N 0 3 363.443 -0.059 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C ZINC001215092632 844524689 /nfs/dbraw/zinc/52/46/89/844524689.db2.gz OAOBETUPSXTICX-JFGNBEQYSA-N 0 3 363.443 -0.059 20 0 FBADHN CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215092696 844524783 /nfs/dbraw/zinc/52/47/83/844524783.db2.gz QMKWNTQXJGVYFJ-IVMMDQJWSA-N 0 3 350.463 -0.040 20 0 FBADHN CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215092697 844524881 /nfs/dbraw/zinc/52/48/81/844524881.db2.gz QMKWNTQXJGVYFJ-XNRPHZJLSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215092779 844524893 /nfs/dbraw/zinc/52/48/93/844524893.db2.gz REGYBBLMFGFMJO-BPLDGKMQSA-N 0 3 371.503 -0.226 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215092781 844524633 /nfs/dbraw/zinc/52/46/33/844524633.db2.gz REGYBBLMFGFMJO-VHDGCEQUSA-N 0 3 371.503 -0.226 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092802 844524555 /nfs/dbraw/zinc/52/45/55/844524555.db2.gz RKLAVNYTDAPHJB-HZSPNIEDSA-N 0 3 359.492 -0.274 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215092804 844524646 /nfs/dbraw/zinc/52/46/46/844524646.db2.gz RKLAVNYTDAPHJB-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C)C1CC1 ZINC001215092889 844524417 /nfs/dbraw/zinc/52/44/17/844524417.db2.gz STTDQCZBPQXOQW-UMVBOHGHSA-N 0 3 371.503 -0.132 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C)C1CC1 ZINC001215092890 844524708 /nfs/dbraw/zinc/52/47/08/844524708.db2.gz STTDQCZBPQXOQW-VNHYZAJKSA-N 0 3 371.503 -0.132 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC001215092938 844524331 /nfs/dbraw/zinc/52/43/31/844524331.db2.gz UPYJCFUJZIDGHZ-CHWSQXEVSA-N 0 3 352.435 -0.560 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215093055 844524612 /nfs/dbraw/zinc/52/46/12/844524612.db2.gz WVGPBVXSIWKAER-HZSPNIEDSA-N 0 3 359.492 -0.226 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001215093056 844524767 /nfs/dbraw/zinc/52/47/67/844524767.db2.gz WVGPBVXSIWKAER-MGPQQGTHSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215093151 844524402 /nfs/dbraw/zinc/52/44/02/844524402.db2.gz YRSRQMRVSLQHQG-KWCYVHTRSA-N 0 3 357.476 -0.616 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215093153 844524386 /nfs/dbraw/zinc/52/43/86/844524386.db2.gz YRSRQMRVSLQHQG-MRVWCRGKSA-N 0 3 357.476 -0.616 20 0 FBADHN CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215093166 844524437 /nfs/dbraw/zinc/52/44/37/844524437.db2.gz YZGJWBCTEOSRCV-BPLDGKMQSA-N 0 3 359.492 -0.274 20 0 FBADHN CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215093168 844524660 /nfs/dbraw/zinc/52/46/60/844524660.db2.gz YZGJWBCTEOSRCV-VHDGCEQUSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001215094470 844525517 /nfs/dbraw/zinc/52/55/17/844525517.db2.gz CXSNLCIQYSLVQW-MBNYWOFBSA-N 0 3 351.451 -0.508 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001215094471 844525540 /nfs/dbraw/zinc/52/55/40/844525540.db2.gz CXSNLCIQYSLVQW-YRGRVCCFSA-N 0 3 351.451 -0.508 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1NCCS(C)(=O)=O ZINC001215094506 844525687 /nfs/dbraw/zinc/52/56/87/844525687.db2.gz FJDCVEMRTRGSKI-FRRDWIJNSA-N 0 3 360.480 -0.742 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1NCCS(C)(=O)=O ZINC001215094507 844525643 /nfs/dbraw/zinc/52/56/43/844525643.db2.gz FJDCVEMRTRGSKI-JHJVBQTASA-N 0 3 360.480 -0.742 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215094735 844525630 /nfs/dbraw/zinc/52/56/30/844525630.db2.gz LBYMXLGJXNWFKD-HZSPNIEDSA-N 0 3 353.467 -0.308 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215094736 844525611 /nfs/dbraw/zinc/52/56/11/844525611.db2.gz LBYMXLGJXNWFKD-MGPQQGTHSA-N 0 3 353.467 -0.308 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215094950 844525508 /nfs/dbraw/zinc/52/55/08/844525508.db2.gz OUTHSIUULZFVAN-HZSPNIEDSA-N 0 3 353.467 -0.262 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215094951 844525720 /nfs/dbraw/zinc/52/57/20/844525720.db2.gz OUTHSIUULZFVAN-MGPQQGTHSA-N 0 3 353.467 -0.262 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215094983 844525571 /nfs/dbraw/zinc/52/55/71/844525571.db2.gz PXOFJFUCCFZEBP-HZSPNIEDSA-N 0 3 353.467 -0.260 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC001215094984 844525692 /nfs/dbraw/zinc/52/56/92/844525692.db2.gz PXOFJFUCCFZEBP-MGPQQGTHSA-N 0 3 353.467 -0.260 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccc(COC)o2)C[C@H]1C ZINC001215100939 844525748 /nfs/dbraw/zinc/52/57/48/844525748.db2.gz TZBJWZSMNOBWBL-ZYHUDNBSSA-N 0 3 352.391 -0.068 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1C ZINC001215101024 844525585 /nfs/dbraw/zinc/52/55/85/844525585.db2.gz WJTBQDYXVCSMLE-ZWNOBZJWSA-N 0 3 350.423 -0.608 20 0 FBADHN Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215103734 844525696 /nfs/dbraw/zinc/52/56/96/844525696.db2.gz ONHUHGXXDZHHRL-JIMOISOXSA-N 0 3 350.423 -0.480 20 0 FBADHN Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215103736 844525491 /nfs/dbraw/zinc/52/54/91/844525491.db2.gz ONHUHGXXDZHHRL-OASPWFOLSA-N 0 3 350.423 -0.480 20 0 FBADHN Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215104370 844525560 /nfs/dbraw/zinc/52/55/60/844525560.db2.gz WRHGSAVJENWWES-MWLCHTKSSA-N 0 3 350.375 -0.498 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C ZINC001215108382 844525678 /nfs/dbraw/zinc/52/56/78/844525678.db2.gz NDNQGCVULSDTIO-FXPVBKGRSA-N 0 3 370.841 -0.032 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C ZINC001215108383 844525550 /nfs/dbraw/zinc/52/55/50/844525550.db2.gz NDNQGCVULSDTIO-WCABBAIRSA-N 0 3 370.841 -0.032 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C)C(=O)NC(N)=O ZINC001215108825 844525478 /nfs/dbraw/zinc/52/54/78/844525478.db2.gz ZLINCYLGCQRGKS-KHQFGBGNSA-N 0 3 356.814 -0.293 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C)C(=O)NC(N)=O ZINC001215108826 844525592 /nfs/dbraw/zinc/52/55/92/844525592.db2.gz ZLINCYLGCQRGKS-NQMVMOMDSA-N 0 3 356.814 -0.293 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C ZINC001215110288 844525531 /nfs/dbraw/zinc/52/55/31/844525531.db2.gz GKDJTODMAZPEFN-PSASIEDQSA-N 0 3 356.814 -0.421 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C)C(=O)NC(N)=O ZINC001215110758 844525760 /nfs/dbraw/zinc/52/57/60/844525760.db2.gz UDMFEGVXJUKCCH-HRDYMLBCSA-N 0 3 351.363 -0.988 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1C)C(=O)NC(N)=O ZINC001215110759 844525700 /nfs/dbraw/zinc/52/57/00/844525700.db2.gz UDMFEGVXJUKCCH-IWSPIJDZSA-N 0 3 351.363 -0.988 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1C ZINC001215110841 844525616 /nfs/dbraw/zinc/52/56/16/844525616.db2.gz UTDLVTJKFBMZPE-MWLCHTKSSA-N 0 3 370.841 -0.031 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)nn1C ZINC001215112230 844525656 /nfs/dbraw/zinc/52/56/56/844525656.db2.gz GXIRGFSFBYONHT-FXPVBKGRSA-N 0 3 352.395 -0.938 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)nn1C ZINC001215112231 844525649 /nfs/dbraw/zinc/52/56/49/844525649.db2.gz GXIRGFSFBYONHT-WCABBAIRSA-N 0 3 352.395 -0.938 20 0 FBADHN COc1cnc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)nc1 ZINC001215112995 844526670 /nfs/dbraw/zinc/52/66/70/844526670.db2.gz YMKMHWOUCNANPW-FXPVBKGRSA-N 0 3 350.379 -0.881 20 0 FBADHN COc1cnc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)nc1 ZINC001215112997 844526389 /nfs/dbraw/zinc/52/63/89/844526389.db2.gz YMKMHWOUCNANPW-WCABBAIRSA-N 0 3 350.379 -0.881 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1NCCN(C)S(C)(=O)=O ZINC001215114014 844526573 /nfs/dbraw/zinc/52/65/73/844526573.db2.gz BSBBKIUTICBIJQ-TZMCWYRMSA-N 0 3 370.475 -0.673 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1C ZINC001215114240 844526538 /nfs/dbraw/zinc/52/65/38/844526538.db2.gz MSAQNGNFYRKMQL-TZMCWYRMSA-N 0 3 370.475 -0.625 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc3cnccc3s2)C[C@H]1NCC(=O)NC(N)=O ZINC001215114342 844526438 /nfs/dbraw/zinc/52/64/38/844526438.db2.gz RXIZSVZWAYVQPS-PSASIEDQSA-N 0 3 362.415 -0.064 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1C ZINC001215114365 844526753 /nfs/dbraw/zinc/52/67/53/844526753.db2.gz SVGZADINWFZBCZ-DGCLKSJQSA-N 0 3 351.403 -0.100 20 0 FBADHN Cc1occc(=O)c1OCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001215114529 844526411 /nfs/dbraw/zinc/52/64/11/844526411.db2.gz XRDVEBWVJOUFSK-DGCLKSJQSA-N 0 3 351.403 -0.148 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1C ZINC001215116541 844526320 /nfs/dbraw/zinc/52/63/20/844526320.db2.gz UMMDDECLXVGFJQ-NQBHXWOUSA-N 0 3 351.403 -0.102 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1C ZINC001215116542 844526420 /nfs/dbraw/zinc/52/64/20/844526420.db2.gz UMMDDECLXVGFJQ-NTZNESFSSA-N 0 3 351.403 -0.102 20 0 FBADHN COCCn1ccc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)n1 ZINC001215116636 844526341 /nfs/dbraw/zinc/52/63/41/844526341.db2.gz ZLIPXFAAGQHPCZ-TZMCWYRMSA-N 0 3 358.464 -0.376 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1NCCS(C)(=O)=O ZINC001215118699 844526453 /nfs/dbraw/zinc/52/64/53/844526453.db2.gz SKKGOKLTAQMKJM-MWLCHTKSSA-N 0 3 352.420 -0.552 20 0 FBADHN Cc1cnc(COCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)o1 ZINC001215122274 844526565 /nfs/dbraw/zinc/52/65/65/844526565.db2.gz OPSFUGXCXJGOLB-MWLCHTKSSA-N 0 3 353.379 -0.869 20 0 FBADHN Cc1cnc(COCC(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)o1 ZINC001215122912 844526459 /nfs/dbraw/zinc/52/64/59/844526459.db2.gz ZTTZDJVZVBQOMJ-DGCLKSJQSA-N 0 3 359.448 -0.019 20 0 FBADHN COc1nccc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215124197 844526634 /nfs/dbraw/zinc/52/66/34/844526634.db2.gz ZTOVCUFWVXMDMF-FXPVBKGRSA-N 0 3 350.379 -0.881 20 0 FBADHN COc1nccc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215124198 844526622 /nfs/dbraw/zinc/52/66/22/844526622.db2.gz ZTOVCUFWVXMDMF-WCABBAIRSA-N 0 3 350.379 -0.881 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1NCCS(C)(=O)=O ZINC001215125856 844526275 /nfs/dbraw/zinc/52/62/75/844526275.db2.gz DPQKJXPOQYFHKQ-DGCLKSJQSA-N 0 3 356.448 -0.240 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1C ZINC001215126460 844526443 /nfs/dbraw/zinc/52/64/43/844526443.db2.gz VPVQCLMMZCKMAZ-ZFRZLUBXSA-N 0 3 352.435 -0.162 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215130692 844526746 /nfs/dbraw/zinc/52/67/46/844526746.db2.gz IHJJEJBKNIQRHD-YXCITZCRSA-N 0 3 352.435 -0.320 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1NCCS(C)(=O)=O ZINC001215134310 844526555 /nfs/dbraw/zinc/52/65/55/844526555.db2.gz HMIGELHPSGUQRB-ZYHUDNBSSA-N 0 3 352.420 -0.781 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@H]1NCC(=O)NC(N)=O ZINC001215134530 844526713 /nfs/dbraw/zinc/52/67/13/844526713.db2.gz SFVXJWDDVZDQDS-VXNVDRBHSA-N 0 3 358.349 -0.397 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1C ZINC001215134688 844526483 /nfs/dbraw/zinc/52/64/83/844526483.db2.gz ZNCKLOQUHFYVFL-ZWNOBZJWSA-N 0 3 350.423 -0.837 20 0 FBADHN Cc1cc(CC(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)n(C)n1 ZINC001215136700 844526496 /nfs/dbraw/zinc/52/64/96/844526496.db2.gz NTIOZQUGJCPFCR-IRUJWGPZSA-N 0 3 350.423 -0.709 20 0 FBADHN Cc1cc(CC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)n(C)n1 ZINC001215136701 844526661 /nfs/dbraw/zinc/52/66/61/844526661.db2.gz NTIOZQUGJCPFCR-SUZMYJTESA-N 0 3 350.423 -0.709 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C ZINC001215139705 844526584 /nfs/dbraw/zinc/52/65/84/844526584.db2.gz FAMWSXHWGOVXHJ-RKDXNWHRSA-N 0 3 356.814 -0.421 20 0 FBADHN COCC1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC3CC3)C2)CC1 ZINC001215139804 844526491 /nfs/dbraw/zinc/52/64/91/844526491.db2.gz IWGWMHMHPRIPDW-DGCLKSJQSA-N 0 3 352.435 -0.162 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C ZINC001215140385 844526729 /nfs/dbraw/zinc/52/67/29/844526729.db2.gz QAMXZNDGJIVXKX-NXEZZACHSA-N 0 3 370.841 -0.031 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1NCCS(C)(=O)=O ZINC001215141411 844526720 /nfs/dbraw/zinc/52/67/20/844526720.db2.gz AJRQAXRTAHKYJS-DGCLKSJQSA-N 0 3 351.432 -0.176 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C)C(=O)NC(N)=O ZINC001215141526 844526305 /nfs/dbraw/zinc/52/63/05/844526305.db2.gz GDIDFGIBGSHJDC-HRDYMLBCSA-N 0 3 356.814 -0.293 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C)C(=O)NC(N)=O ZINC001215141527 844526688 /nfs/dbraw/zinc/52/66/88/844526688.db2.gz GDIDFGIBGSHJDC-IWSPIJDZSA-N 0 3 356.814 -0.293 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C ZINC001215141695 844526448 /nfs/dbraw/zinc/52/64/48/844526448.db2.gz NOOFCBNABDTSBW-KXUCPTDWSA-N 0 3 370.841 -0.032 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1C ZINC001215141696 844526360 /nfs/dbraw/zinc/52/63/60/844526360.db2.gz NOOFCBNABDTSBW-OPRDCNLKSA-N 0 3 370.841 -0.032 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1C ZINC001215144021 844526699 /nfs/dbraw/zinc/52/66/99/844526699.db2.gz FRHDRFLJKKSKGV-DGCLKSJQSA-N 0 3 350.419 -0.088 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C ZINC001215144059 844526510 /nfs/dbraw/zinc/52/65/10/844526510.db2.gz HTHWDOWABOZTAC-NQBHXWOUSA-N 0 3 351.407 -0.112 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C ZINC001215144060 844526595 /nfs/dbraw/zinc/52/65/95/844526595.db2.gz HTHWDOWABOZTAC-NTZNESFSSA-N 0 3 351.407 -0.112 20 0 FBADHN COc1coc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)cc1=O ZINC001215144337 844527642 /nfs/dbraw/zinc/52/76/42/844527642.db2.gz OXKWOVLSHPSBPC-GHMZBOCLSA-N 0 3 358.416 -0.257 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C ZINC001215144398 844527580 /nfs/dbraw/zinc/52/75/80/844527580.db2.gz RAOIERJICYJNME-DGCLKSJQSA-N 0 3 351.407 -0.111 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@H]1NCC(=O)NC(N)=O ZINC001215144684 844527625 /nfs/dbraw/zinc/52/76/25/844527625.db2.gz XOAQJBJSIOGFPD-VXNVDRBHSA-N 0 3 358.349 -0.397 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc3c(s2)CCC3)C[C@H]1NCC(=O)NC(N)=O ZINC001215146223 844527549 /nfs/dbraw/zinc/52/75/49/844527549.db2.gz 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361.493 -0.558 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(OC)n2)C1 ZINC001215234126 844532582 /nfs/dbraw/zinc/53/25/82/844532582.db2.gz FBRZPVBQYZUQMJ-DGCLKSJQSA-N 0 3 371.463 -0.920 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2cncc(F)c2)C1 ZINC001215234182 844532710 /nfs/dbraw/zinc/53/27/10/844532710.db2.gz HTXVHBIQIAWMAP-ZWNOBZJWSA-N 0 3 359.427 -0.789 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)s2)C1 ZINC001215234231 844532510 /nfs/dbraw/zinc/53/25/10/844532510.db2.gz KVKKTYHENDPAIX-BXKDBHETSA-N 0 3 361.493 -0.558 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2ccnc(OC)c2)C1 ZINC001215234251 844532872 /nfs/dbraw/zinc/53/28/72/844532872.db2.gz MISPAFMDIZJBJW-DGCLKSJQSA-N 0 3 371.463 -0.920 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(OC)nc2)C1 ZINC001215234280 844532836 /nfs/dbraw/zinc/53/28/36/844532836.db2.gz NJYONBXRGPAOBR-DGCLKSJQSA-N 0 3 371.463 -0.920 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001215234379 844532795 /nfs/dbraw/zinc/53/27/95/844532795.db2.gz RGQPAWMTYGGKLD-BXUZGUMPSA-N 0 3 358.439 -0.184 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2ncccc2C)C1 ZINC001215234456 844532917 /nfs/dbraw/zinc/53/29/17/844532917.db2.gz WLCFGANVLPNIPV-TZMCWYRMSA-N 0 3 355.464 -0.620 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1C ZINC001215236652 844533489 /nfs/dbraw/zinc/53/34/89/844533489.db2.gz ISEBZCFYFAKUAM-VXGBXAGGSA-N 0 3 354.407 -0.114 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1C ZINC001215237215 844533514 /nfs/dbraw/zinc/53/35/14/844533514.db2.gz UIZZKQCSZSLLJK-NXEZZACHSA-N 0 3 353.379 -0.421 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ns2)C1 ZINC001215237377 844533703 /nfs/dbraw/zinc/53/37/03/844533703.db2.gz ZKFMXJRCIZCYCR-BXKDBHETSA-N 0 3 361.493 -0.558 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C[C@H]1C ZINC001215240103 844533566 /nfs/dbraw/zinc/53/35/66/844533566.db2.gz NWWLIGWRDKTAOV-FAAHXZRKSA-N 0 3 354.451 -0.805 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1C ZINC001215240194 844533736 /nfs/dbraw/zinc/53/37/36/844533736.db2.gz QHCGXIZWFVIZLY-KXUCPTDWSA-N 0 3 353.379 -0.423 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1C ZINC001215240195 844533539 /nfs/dbraw/zinc/53/35/39/844533539.db2.gz QHCGXIZWFVIZLY-OPRDCNLKSA-N 0 3 353.379 -0.423 20 0 FBADHN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C)C2)N(C(C)=O)C1 ZINC001215240444 844533641 /nfs/dbraw/zinc/53/36/41/844533641.db2.gz YTKZIQIALRVWDZ-FAAHXZRKSA-N 0 3 354.451 -0.853 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1C ZINC001215242466 844533583 /nfs/dbraw/zinc/53/35/83/844533583.db2.gz MAQDHGPAUFSRIT-VXGBXAGGSA-N 0 3 354.407 -0.114 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215249945 844533722 /nfs/dbraw/zinc/53/37/22/844533722.db2.gz YOGSRNUDFWFPLO-FXPVBKGRSA-N 0 3 366.447 -0.035 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215249946 844533885 /nfs/dbraw/zinc/53/38/85/844533885.db2.gz YOGSRNUDFWFPLO-WCABBAIRSA-N 0 3 366.447 -0.035 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C)C(=O)N(C)C ZINC001215249961 844533808 /nfs/dbraw/zinc/53/38/08/844533808.db2.gz ZBCRUZNHWPWKRH-GMTAPVOTSA-N 0 3 368.463 -0.819 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C)C(=O)N(C)C ZINC001215249962 844533389 /nfs/dbraw/zinc/53/33/89/844533389.db2.gz ZBCRUZNHWPWKRH-OUAUKWLOSA-N 0 3 368.463 -0.819 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001215251474 844534632 /nfs/dbraw/zinc/53/46/32/844534632.db2.gz VFZIXKVOCUORSQ-GRYCIOLGSA-N 0 3 353.448 -0.259 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001215251476 844534962 /nfs/dbraw/zinc/53/49/62/844534962.db2.gz VFZIXKVOCUORSQ-IJLUTSLNSA-N 0 3 353.448 -0.259 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215254646 844534913 /nfs/dbraw/zinc/53/49/13/844534913.db2.gz ASRCBHHUEBNXEW-GRYCIOLGSA-N 0 3 353.448 -0.117 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215254647 844535112 /nfs/dbraw/zinc/53/51/12/844535112.db2.gz ASRCBHHUEBNXEW-IJLUTSLNSA-N 0 3 353.448 -0.117 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215254769 844534547 /nfs/dbraw/zinc/53/45/47/844534547.db2.gz HUYVEUNYAXRYLL-ZYHUDNBSSA-N 0 3 353.448 -0.117 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C ZINC001215254833 844535048 /nfs/dbraw/zinc/53/50/48/844535048.db2.gz KNOKNTUPYLWLDU-KXUCPTDWSA-N 0 3 354.436 -0.178 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C ZINC001215254834 844534671 /nfs/dbraw/zinc/53/46/71/844534671.db2.gz KNOKNTUPYLWLDU-OPRDCNLKSA-N 0 3 354.436 -0.178 20 0 FBADHN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001215254912 844534775 /nfs/dbraw/zinc/53/47/75/844534775.db2.gz OIDMPLXCVGBLGL-PSASIEDQSA-N 0 3 352.420 -0.424 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C ZINC001215255118 844534947 /nfs/dbraw/zinc/53/49/47/844534947.db2.gz ZTXUZILHPRMWDJ-NXEZZACHSA-N 0 3 354.436 -0.176 20 0 FBADHN Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215259780 844534505 /nfs/dbraw/zinc/53/45/05/844534505.db2.gz LLFQXTKPZDZTRR-NOZJJQNGSA-N 0 3 350.423 -0.789 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C)C(=O)N(C)C ZINC001215261830 844535077 /nfs/dbraw/zinc/53/50/77/844535077.db2.gz OHBFYSHXHIRLKD-GRYCIOLGSA-N 0 3 351.407 -0.682 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C)C(=O)N(C)C ZINC001215261833 844534719 /nfs/dbraw/zinc/53/47/19/844534719.db2.gz OHBFYSHXHIRLKD-IJLUTSLNSA-N 0 3 351.407 -0.682 20 0 FBADHN Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001215263722 844534534 /nfs/dbraw/zinc/53/45/34/844534534.db2.gz FPXOXSAWMVMQJL-HLUHBDAQSA-N 0 3 350.423 -0.330 20 0 FBADHN Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001215263723 844535028 /nfs/dbraw/zinc/53/50/28/844535028.db2.gz FPXOXSAWMVMQJL-UBHAPETDSA-N 0 3 350.423 -0.330 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1C ZINC001215264562 844534827 /nfs/dbraw/zinc/53/48/27/844534827.db2.gz OZHBEQUQWJVBFY-BXKDBHETSA-N 0 3 350.423 -0.457 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC001215266739 844535125 /nfs/dbraw/zinc/53/51/25/844535125.db2.gz FEWXCEHCPNKSQP-BXKDBHETSA-N 0 3 351.407 -0.689 20 0 FBADHN Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215266797 844534932 /nfs/dbraw/zinc/53/49/32/844534932.db2.gz HJOKXNYQRHKXAT-VXNVDRBHSA-N 0 3 356.814 -0.373 20 0 FBADHN Cc1cc(C)n(CCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001215266893 844535100 /nfs/dbraw/zinc/53/51/00/844535100.db2.gz MPHYVGAGFVFFMW-ZWNOBZJWSA-N 0 3 350.423 -0.479 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C ZINC001215268867 844534614 /nfs/dbraw/zinc/53/46/14/844534614.db2.gz AQNCDDGDZBEGMU-CHWSQXEVSA-N 0 3 350.423 -0.445 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C ZINC001215268978 844534657 /nfs/dbraw/zinc/53/46/57/844534657.db2.gz GFVJPYGLJDQUCI-HUUCEWRRSA-N 0 3 351.451 -0.138 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C ZINC001215269118 844534367 /nfs/dbraw/zinc/53/43/67/844534367.db2.gz MZMSYOHLBPTICA-HUUCEWRRSA-N 0 3 351.451 -0.138 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C ZINC001215269296 844535202 /nfs/dbraw/zinc/53/52/02/844535202.db2.gz UVNYUVAMCAXAJW-FRRDWIJNSA-N 0 3 350.423 -0.446 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C ZINC001215269297 844535015 /nfs/dbraw/zinc/53/50/15/844535015.db2.gz UVNYUVAMCAXAJW-JHJVBQTASA-N 0 3 350.423 -0.446 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@H]1C ZINC001215269409 844534809 /nfs/dbraw/zinc/53/48/09/844534809.db2.gz ZISSTQDEZLROLS-PSASIEDQSA-N 0 3 370.841 -0.112 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1C ZINC001215272657 844534786 /nfs/dbraw/zinc/53/47/86/844534786.db2.gz CWYISJHSYGOURI-MWLCHTKSSA-N 0 3 352.395 -0.797 20 0 FBADHN Cc1noc(CCC(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215272801 844534897 /nfs/dbraw/zinc/53/48/97/844534897.db2.gz KQWZHDVCVMWHSD-FXPVBKGRSA-N 0 3 352.395 -0.669 20 0 FBADHN Cc1noc(CCC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215272802 844535182 /nfs/dbraw/zinc/53/51/82/844535182.db2.gz KQWZHDVCVMWHSD-WCABBAIRSA-N 0 3 352.395 -0.669 20 0 FBADHN C[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1NCC(=O)NC(N)=O ZINC001215277104 844535141 /nfs/dbraw/zinc/53/51/41/844535141.db2.gz JKZPOOGVEVVOLM-GHMZBOCLSA-N 0 3 355.439 -0.830 20 0 FBADHN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215277392 844534875 /nfs/dbraw/zinc/53/48/75/844534875.db2.gz RKUUQWJAUUGDSY-GMTAPVOTSA-N 0 3 355.439 -0.831 20 0 FBADHN C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215277393 844534731 /nfs/dbraw/zinc/53/47/31/844534731.db2.gz RKUUQWJAUUGDSY-OUAUKWLOSA-N 0 3 355.439 -0.831 20 0 FBADHN CCCc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)[nH]n1 ZINC001215281731 844536027 /nfs/dbraw/zinc/53/60/27/844536027.db2.gz NDKVLSJEVQITPR-ZWNOBZJWSA-N 0 3 350.423 -0.132 20 0 FBADHN CCCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)[nH]n1 ZINC001215283706 844535563 /nfs/dbraw/zinc/53/55/63/844535563.db2.gz AUTPVQSOGITMFO-GBIKHYSHSA-N 0 3 350.423 -0.004 20 0 FBADHN CCCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)[nH]n1 ZINC001215283707 844536099 /nfs/dbraw/zinc/53/60/99/844536099.db2.gz AUTPVQSOGITMFO-GIPNMCIBSA-N 0 3 350.423 -0.004 20 0 FBADHN Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)c1C ZINC001215283726 844536019 /nfs/dbraw/zinc/53/60/19/844536019.db2.gz BXVXKJJHLKIECX-ZWNOBZJWSA-N 0 3 370.475 -0.508 20 0 FBADHN Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)c1C ZINC001215286209 844536156 /nfs/dbraw/zinc/53/61/56/844536156.db2.gz VCKGOJSLWZWNHQ-GMSGAONNSA-N 0 3 350.379 -0.956 20 0 FBADHN Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)c1C ZINC001215286296 844535538 /nfs/dbraw/zinc/53/55/38/844535538.db2.gz ZUBRBTLUOCYIGM-BXKDBHETSA-N 0 3 356.448 -0.106 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1NCCS(C)(=O)=O ZINC001215288115 844535998 /nfs/dbraw/zinc/53/59/98/844535998.db2.gz GAHQMJQVXGAAOR-IUODEOHRSA-N 0 3 367.471 -0.191 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001215288360 844536132 /nfs/dbraw/zinc/53/61/32/844536132.db2.gz QVMHQXGLGTYALE-KGYLQXTDSA-N 0 3 350.423 -0.542 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001215288361 844535919 /nfs/dbraw/zinc/53/59/19/844535919.db2.gz QVMHQXGLGTYALE-RAIGVLPGSA-N 0 3 350.423 -0.542 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001215288462 844535840 /nfs/dbraw/zinc/53/58/40/844535840.db2.gz WHUYNWZYWVDTEY-ZWNOBZJWSA-N 0 3 350.423 -0.542 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1NCCS(C)(=O)=O ZINC001215288508 844535609 /nfs/dbraw/zinc/53/56/09/844535609.db2.gz YFNSSMHHUGCPCM-DGCLKSJQSA-N 0 3 351.432 -0.176 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001215292563 844535809 /nfs/dbraw/zinc/53/58/09/844535809.db2.gz YBLZKGLXKLKFMF-KGYLQXTDSA-N 0 3 350.423 -0.684 20 0 FBADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001215292564 844535628 /nfs/dbraw/zinc/53/56/28/844535628.db2.gz YBLZKGLXKLKFMF-RAIGVLPGSA-N 0 3 350.423 -0.684 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1NCC(=O)NCC1CC1 ZINC001215294241 844536402 /nfs/dbraw/zinc/53/64/02/844536402.db2.gz PFEYKDYBUMJWBK-BPLDGKMQSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1NCC(=O)NCC1CC1 ZINC001215294242 844535888 /nfs/dbraw/zinc/53/58/88/844535888.db2.gz PFEYKDYBUMJWBK-VHDGCEQUSA-N 0 3 350.463 -0.040 20 0 FBADHN COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001215296546 844535964 /nfs/dbraw/zinc/53/59/64/844535964.db2.gz KYYWGFLJEOSRPJ-FXPVBKGRSA-N 0 3 352.395 -0.938 20 0 FBADHN COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001215296547 844536435 /nfs/dbraw/zinc/53/64/35/844536435.db2.gz KYYWGFLJEOSRPJ-WCABBAIRSA-N 0 3 352.395 -0.938 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1NCCS(C)(=O)=O ZINC001215296840 844536997 /nfs/dbraw/zinc/53/69/97/844536997.db2.gz YUHXIDUFUKEWJX-ZYHUDNBSSA-N 0 3 352.420 -0.781 20 0 FBADHN Cc1ccn([C@@H](C)CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001215301485 844536980 /nfs/dbraw/zinc/53/69/80/844536980.db2.gz XEAPKAKPMJWFSI-KGYLQXTDSA-N 0 3 350.423 -0.226 20 0 FBADHN Cc1ccn([C@H](C)CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001215301486 844537439 /nfs/dbraw/zinc/53/74/39/844537439.db2.gz XEAPKAKPMJWFSI-RAIGVLPGSA-N 0 3 350.423 -0.226 20 0 FBADHN CCC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001215302545 844537021 /nfs/dbraw/zinc/53/70/21/844537021.db2.gz AVPVXKKNHQBWFB-MCIONIFRSA-N 0 3 354.451 -0.804 20 0 FBADHN CCC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001215302546 844537236 /nfs/dbraw/zinc/53/72/36/844537236.db2.gz AVPVXKKNHQBWFB-MGPQQGTHSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215308918 844537035 /nfs/dbraw/zinc/53/70/35/844537035.db2.gz ABLIDEVKBFMHRF-GMTAPVOTSA-N 0 3 364.368 -0.420 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215308921 844537052 /nfs/dbraw/zinc/53/70/52/844537052.db2.gz ABLIDEVKBFMHRF-OUAUKWLOSA-N 0 3 364.368 -0.420 20 0 FBADHN CCC(C)(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001215308993 844537398 /nfs/dbraw/zinc/53/73/98/844537398.db2.gz BAFBFCJDQOMNIG-JHJVBQTASA-N 0 3 353.467 -0.249 20 0 FBADHN CCC(C)(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001215308995 844536854 /nfs/dbraw/zinc/53/68/54/844536854.db2.gz BAFBFCJDQOMNIG-UPJWGTAASA-N 0 3 353.467 -0.249 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309011 844537163 /nfs/dbraw/zinc/53/71/63/844537163.db2.gz BMJMPPSFVVHPMT-VXGBXAGGSA-N 0 3 353.423 -0.672 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215309203 844536827 /nfs/dbraw/zinc/53/68/27/844536827.db2.gz DWVCFSCXHAPNSR-BNOWGMLFSA-N 0 3 351.451 -0.495 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215309205 844537146 /nfs/dbraw/zinc/53/71/46/844537146.db2.gz DWVCFSCXHAPNSR-MRVWCRGKSA-N 0 3 351.451 -0.495 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215309234 844537181 /nfs/dbraw/zinc/53/71/81/844537181.db2.gz FNMMJJHHCRCETP-BNOWGMLFSA-N 0 3 351.451 -0.637 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215309235 844536935 /nfs/dbraw/zinc/53/69/35/844536935.db2.gz FNMMJJHHCRCETP-MRVWCRGKSA-N 0 3 351.451 -0.637 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309364 844537473 /nfs/dbraw/zinc/53/74/73/844537473.db2.gz GNQSQDWNGDCZCO-NXEZZACHSA-N 0 3 352.395 -0.979 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309653 844536844 /nfs/dbraw/zinc/53/68/44/844536844.db2.gz OYQYBVDVKVQOMC-KXUCPTDWSA-N 0 3 352.395 -0.980 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309654 844536873 /nfs/dbraw/zinc/53/68/73/844536873.db2.gz OYQYBVDVKVQOMC-OPRDCNLKSA-N 0 3 352.395 -0.980 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(=O)NCc1cccs1 ZINC001215309682 844536886 /nfs/dbraw/zinc/53/68/86/844536886.db2.gz QIVYOSKRDWVHJT-KWCYVHTRSA-N 0 3 364.471 -0.063 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(=O)NCc1cccs1 ZINC001215309683 844537416 /nfs/dbraw/zinc/53/74/16/844537416.db2.gz QIVYOSKRDWVHJT-MRVWCRGKSA-N 0 3 364.471 -0.063 20 0 FBADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215309703 844537100 /nfs/dbraw/zinc/53/71/00/844537100.db2.gz QYZNUKYUDDZEGN-RKDXNWHRSA-N 0 3 363.340 -0.146 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215309716 844537267 /nfs/dbraw/zinc/53/72/67/844537267.db2.gz RFCGSXYIFFHBCD-BBBLOLIVSA-N 0 3 365.356 -0.875 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215309717 844537076 /nfs/dbraw/zinc/53/70/76/844537076.db2.gz RFCGSXYIFFHBCD-OPRDCNLKSA-N 0 3 365.356 -0.875 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215309883 844538363 /nfs/dbraw/zinc/53/83/63/844538363.db2.gz XVFREHZRNPFUHZ-BNOWGMLFSA-N 0 3 351.451 -0.685 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215309884 844537843 /nfs/dbraw/zinc/53/78/43/844537843.db2.gz XVFREHZRNPFUHZ-MRVWCRGKSA-N 0 3 351.451 -0.685 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309899 844538250 /nfs/dbraw/zinc/53/82/50/844538250.db2.gz YEELTKCAHBSZGG-VXGBXAGGSA-N 0 3 353.423 -0.672 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C)C1CC1 ZINC001215311753 844538260 /nfs/dbraw/zinc/53/82/60/844538260.db2.gz BXVHOJKDIYSSOT-BNOWGMLFSA-N 0 3 351.451 -0.543 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C)C1CC1 ZINC001215311754 844537970 /nfs/dbraw/zinc/53/79/70/844537970.db2.gz BXVHOJKDIYSSOT-MRVWCRGKSA-N 0 3 351.451 -0.543 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001215311920 844538394 /nfs/dbraw/zinc/53/83/94/844538394.db2.gz IVJLIXQZEBLDAH-BNOWGMLFSA-N 0 3 353.467 -0.249 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001215311921 844538018 /nfs/dbraw/zinc/53/80/18/844538018.db2.gz IVJLIXQZEBLDAH-MRVWCRGKSA-N 0 3 353.467 -0.249 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001215312198 844538371 /nfs/dbraw/zinc/53/83/71/844538371.db2.gz VIHSJQCUSNRKLB-JHJVBQTASA-N 0 3 353.467 -0.391 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001215312199 844537891 /nfs/dbraw/zinc/53/78/91/844537891.db2.gz VIHSJQCUSNRKLB-UPJWGTAASA-N 0 3 353.467 -0.391 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001215314053 844538204 /nfs/dbraw/zinc/53/82/04/844538204.db2.gz BLKJFDFPIZTBIN-IVZWLZJFSA-N 0 3 352.357 -0.387 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001215314054 844538317 /nfs/dbraw/zinc/53/83/17/844538317.db2.gz BLKJFDFPIZTBIN-OPRDCNLKSA-N 0 3 352.357 -0.387 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001215314094 844538053 /nfs/dbraw/zinc/53/80/53/844538053.db2.gz DCPRVVZWMIWDSA-OUCADQQQSA-N 0 3 354.451 -0.770 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001215314095 844537914 /nfs/dbraw/zinc/53/79/14/844537914.db2.gz DCPRVVZWMIWDSA-YRGRVCCFSA-N 0 3 354.451 -0.770 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C ZINC001215314336 844538128 /nfs/dbraw/zinc/53/81/28/844538128.db2.gz LLQVCZCQTIWYQZ-IJLUTSLNSA-N 0 3 355.439 -0.830 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C ZINC001215314337 844538423 /nfs/dbraw/zinc/53/84/23/844538423.db2.gz LLQVCZCQTIWYQZ-QJPTWQEYSA-N 0 3 355.439 -0.830 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1 ZINC001215314936 844538430 /nfs/dbraw/zinc/53/84/30/844538430.db2.gz YYGJPCPZNDOHHU-OUCADQQQSA-N 0 3 350.419 -0.156 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1 ZINC001215314937 844538034 /nfs/dbraw/zinc/53/80/34/844538034.db2.gz YYGJPCPZNDOHHU-YRGRVCCFSA-N 0 3 350.419 -0.156 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215316966 844538233 /nfs/dbraw/zinc/53/82/33/844538233.db2.gz PVFFJTAGTARRTI-KXUCPTDWSA-N 0 3 350.341 -0.763 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215316967 844538194 /nfs/dbraw/zinc/53/81/94/844538194.db2.gz PVFFJTAGTARRTI-OPRDCNLKSA-N 0 3 350.341 -0.763 20 0 FBADHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(=O)N2CCCC2)C1 ZINC001215318974 844539526 /nfs/dbraw/zinc/53/95/26/844539526.db2.gz KYPRBRLXGSJICW-KBUPBQIOSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC(F)(F)F)C1 ZINC001215319250 844539245 /nfs/dbraw/zinc/53/92/45/844539245.db2.gz QZTPYOQMCNTXCZ-GMTAPVOTSA-N 0 3 366.384 -0.045 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC(F)(F)F)C1 ZINC001215319251 844539333 /nfs/dbraw/zinc/53/93/33/844539333.db2.gz QZTPYOQMCNTXCZ-HBNTYKKESA-N 0 3 366.384 -0.045 20 0 FBADHN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(=O)N2CCCC2)C1 ZINC001215331671 844539580 /nfs/dbraw/zinc/53/95/80/844539580.db2.gz KYPRBRLXGSJICW-LJISPDSOSA-N 0 3 350.463 -0.183 20 0 FBADHN CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(=O)N2CCCC2)C1 ZINC001215332555 844538825 /nfs/dbraw/zinc/53/88/25/844538825.db2.gz XAPSEFWTOIVPSL-HZSPNIEDSA-N 0 3 356.442 -0.090 20 0 FBADHN CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(=O)N2CCCC2)C1 ZINC001215332557 844539315 /nfs/dbraw/zinc/53/93/15/844539315.db2.gz XAPSEFWTOIVPSL-MGPQQGTHSA-N 0 3 356.442 -0.090 20 0 FBADHN CC(C)N(C(=O)CN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)C(C)C ZINC001215334141 844539353 /nfs/dbraw/zinc/53/93/53/844539353.db2.gz HTOXLSDHQXEIKB-CHWSQXEVSA-N 0 3 351.455 -0.094 20 0 FBADHN CCCN(CCC)C(=O)CN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334404 844538775 /nfs/dbraw/zinc/53/87/75/844538775.db2.gz LJATWBLGZICUHT-CHWSQXEVSA-N 0 3 351.455 -0.091 20 0 FBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCC(=O)NCc1cccs1 ZINC001215334736 844539047 /nfs/dbraw/zinc/53/90/47/844539047.db2.gz RFIJGTAAESCPBE-ZYHUDNBSSA-N 0 3 363.447 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001215334867 844539370 /nfs/dbraw/zinc/53/93/70/844539370.db2.gz WCMUBRZEDJLTHK-VXGBXAGGSA-N 0 3 351.455 -0.187 20 0 FBADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215334907 844538991 /nfs/dbraw/zinc/53/89/91/844538991.db2.gz XVRFRSOGNLSJAL-RKDXNWHRSA-N 0 3 363.344 -0.719 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215335445 844539301 /nfs/dbraw/zinc/53/93/01/844539301.db2.gz CDFAPLKTVOHVIK-HRDYMLBCSA-N 0 3 363.344 -0.673 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215335446 844539155 /nfs/dbraw/zinc/53/91/55/844539155.db2.gz CDFAPLKTVOHVIK-IWSPIJDZSA-N 0 3 363.344 -0.673 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215335542 844539082 /nfs/dbraw/zinc/53/90/82/844539082.db2.gz FYOIPFGLMIYFPL-YUELXQCFSA-N 0 3 350.463 -0.088 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C ZINC001215335689 844539472 /nfs/dbraw/zinc/53/94/72/844539472.db2.gz IDQHOTISYXOPGL-MCIONIFRSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215335852 844539488 /nfs/dbraw/zinc/53/94/88/844539488.db2.gz KWBLBJRKESVQLX-MXWKQRLJSA-N 0 3 364.368 -0.278 20 0 FBADHN CCC(C)(C)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215336227 844539226 /nfs/dbraw/zinc/53/92/26/844539226.db2.gz RNKVYKDVBGNFGL-GRYCIOLGSA-N 0 3 351.455 -0.047 20 0 FBADHN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215336228 844539066 /nfs/dbraw/zinc/53/90/66/844539066.db2.gz RNKVYKDVBGNFGL-IJLUTSLNSA-N 0 3 351.455 -0.047 20 0 FBADHN CC(C)CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215336368 844538928 /nfs/dbraw/zinc/53/89/28/844538928.db2.gz SJGJWVPGEQCWMU-FRRDWIJNSA-N 0 3 351.455 -0.189 20 0 FBADHN CC(C)CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215336370 844538860 /nfs/dbraw/zinc/53/88/60/844538860.db2.gz SJGJWVPGEQCWMU-JHJVBQTASA-N 0 3 351.455 -0.189 20 0 FBADHN 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/nfs/dbraw/zinc/54/04/55/844540455.db2.gz XFBLWEWZFDYKMO-ZIAGYGMSSA-N 0 3 351.451 -0.069 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1C ZINC001215342585 844540092 /nfs/dbraw/zinc/54/00/92/844540092.db2.gz YKTJUMHPZCNCRN-VXGBXAGGSA-N 0 3 350.423 -0.376 20 0 FBADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)CCCF)C[C@H]2C)CC1 ZINC001215343909 844540013 /nfs/dbraw/zinc/54/00/13/844540013.db2.gz CDBAMSOPHCMYKS-UKRRQHHQSA-N 0 3 356.442 -0.137 20 0 FBADHN C[C@@H]1CN(C(=O)CCCF)C[C@H]1NCC(=O)N1CCC(C(N)=O)CC1 ZINC001215343947 844540417 /nfs/dbraw/zinc/54/04/17/844540417.db2.gz DGCQZSBYXBPOBB-TZMCWYRMSA-N 0 3 356.442 -0.104 20 0 FBADHN C[C@@H]1CN(C(=O)CCCF)C[C@H]1NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001215344127 844540151 /nfs/dbraw/zinc/54/01/51/844540151.db2.gz HZOPUMLIDLCVDP-HZSPNIEDSA-N 0 3 356.442 -0.104 20 0 FBADHN C[C@@H]1CN(C(=O)CCCF)C[C@H]1NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001215344128 844540267 /nfs/dbraw/zinc/54/02/67/844540267.db2.gz HZOPUMLIDLCVDP-MGPQQGTHSA-N 0 3 356.442 -0.104 20 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ZINC001215355625 844540252 /nfs/dbraw/zinc/54/02/52/844540252.db2.gz HPQWKLLNXOMNKW-HZSPNIEDSA-N 0 3 354.451 -0.946 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001215355628 844539986 /nfs/dbraw/zinc/53/99/86/844539986.db2.gz HPQWKLLNXOMNKW-MGPQQGTHSA-N 0 3 354.451 -0.946 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215355633 844540129 /nfs/dbraw/zinc/54/01/29/844540129.db2.gz HQHSQSGCYQTYMR-BPLDGKMQSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215355635 844540388 /nfs/dbraw/zinc/54/03/88/844540388.db2.gz HQHSQSGCYQTYMR-VHDGCEQUSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215356170 844540113 /nfs/dbraw/zinc/54/01/13/844540113.db2.gz RCRZXRARFSNMKD-BPLDGKMQSA-N 0 3 350.463 -0.230 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215356171 844540584 /nfs/dbraw/zinc/54/05/84/844540584.db2.gz RCRZXRARFSNMKD-VHDGCEQUSA-N 0 3 350.463 -0.230 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001215357556 844540034 /nfs/dbraw/zinc/54/00/34/844540034.db2.gz FXQBXXWDSWHAHL-HUXGKSLCSA-N 0 3 352.435 -0.451 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001215357557 844540485 /nfs/dbraw/zinc/54/04/85/844540485.db2.gz FXQBXXWDSWHAHL-WZBKEBKWSA-N 0 3 352.435 -0.451 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215357725 844540189 /nfs/dbraw/zinc/54/01/89/844540189.db2.gz IBJFEVQCCNRNPR-BMNMPBFRSA-N 0 3 351.447 -0.390 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215357726 844539961 /nfs/dbraw/zinc/53/99/61/844539961.db2.gz IBJFEVQCCNRNPR-QKEJGYSESA-N 0 3 351.447 -0.390 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C ZINC001215357933 844540025 /nfs/dbraw/zinc/54/00/25/844540025.db2.gz MKYARJXCBMSDJP-RKDXNWHRSA-N 0 3 355.420 -0.256 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001215357936 844540345 /nfs/dbraw/zinc/54/03/45/844540345.db2.gz MMXLMLMVJBERDR-APACUCGBSA-N 0 3 350.419 -0.697 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001215357942 844540166 /nfs/dbraw/zinc/54/01/66/844540166.db2.gz MSGKMUOHDAFMKT-FWXGHANASA-N 0 3 353.463 -0.144 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001215357943 844540504 /nfs/dbraw/zinc/54/05/04/844540504.db2.gz MSGKMUOHDAFMKT-TWHJKIGZSA-N 0 3 353.463 -0.144 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215358079 844541097 /nfs/dbraw/zinc/54/10/97/844541097.db2.gz SSSGDFHOPPXZKF-AQFIFQLPSA-N 0 3 351.447 -0.390 20 0 FBADHN C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001215358146 844541354 /nfs/dbraw/zinc/54/13/54/844541354.db2.gz WBSIUVIHPHFHDL-PSASIEDQSA-N 0 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C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215364930 844541249 /nfs/dbraw/zinc/54/12/49/844541249.db2.gz BYGOZWXTPGNCCJ-VHDGCEQUSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215365284 844541419 /nfs/dbraw/zinc/54/14/19/844541419.db2.gz ICCMBPOOVVBWPV-GMTAPVOTSA-N 0 3 364.368 -0.420 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215365285 844541333 /nfs/dbraw/zinc/54/13/33/844541333.db2.gz ICCMBPOOVVBWPV-OUAUKWLOSA-N 0 3 364.368 -0.420 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C ZINC001215366098 844541144 /nfs/dbraw/zinc/54/11/44/844541144.db2.gz ZCZMMVZOIKUBRV-HZSPNIEDSA-N 0 3 354.451 -0.946 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001215366099 844541314 /nfs/dbraw/zinc/54/13/14/844541314.db2.gz ZCZMMVZOIKUBRV-MGPQQGTHSA-N 0 3 354.451 -0.946 20 0 FBADHN C[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001215367736 844541072 /nfs/dbraw/zinc/54/10/72/844541072.db2.gz UESOCMILQHSSEJ-UKRRQHHQSA-N 0 3 350.463 -0.038 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001215373830 844541176 /nfs/dbraw/zinc/54/11/76/844541176.db2.gz FXTXKCURUUNBAU-ZYHUDNBSSA-N 0 3 371.463 -0.568 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215379468 844541166 /nfs/dbraw/zinc/54/11/66/844541166.db2.gz OZQXELYJCAOPCH-DFHBCGBQSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215379469 844541118 /nfs/dbraw/zinc/54/11/18/844541118.db2.gz OZQXELYJCAOPCH-RVZJWNSFSA-N 0 3 350.463 -0.040 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001215383152 844541224 /nfs/dbraw/zinc/54/12/24/844541224.db2.gz CHMAYFORXOLHNO-DGCLKSJQSA-N 0 3 351.407 -0.111 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215383432 844541103 /nfs/dbraw/zinc/54/11/03/844541103.db2.gz UXWDEOIGTLXZLD-BPLDGKMQSA-N 0 3 350.419 -0.051 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215383433 844541034 /nfs/dbraw/zinc/54/10/34/844541034.db2.gz UXWDEOIGTLXZLD-VHDGCEQUSA-N 0 3 350.419 -0.051 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215383441 844541137 /nfs/dbraw/zinc/54/11/37/844541137.db2.gz VMHCFGYDDMCMGB-IUODEOHRSA-N 0 3 350.419 -0.051 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001215383507 844541042 /nfs/dbraw/zinc/54/10/42/844541042.db2.gz ZLLADWMCAQHLLF-NQBHXWOUSA-N 0 3 351.407 -0.112 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001215383508 844541183 /nfs/dbraw/zinc/54/11/83/844541183.db2.gz ZLLADWMCAQHLLF-NTZNESFSSA-N 0 3 351.407 -0.112 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215384850 844542284 /nfs/dbraw/zinc/54/22/84/844542284.db2.gz FYOIPFGLMIYFPL-BPLDGKMQSA-N 0 3 350.463 -0.088 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C ZINC001215384945 844542685 /nfs/dbraw/zinc/54/26/85/844542685.db2.gz IDQHOTISYXOPGL-MGPQQGTHSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001215385048 844542392 /nfs/dbraw/zinc/54/23/92/844542392.db2.gz KBGQSGPTUIUDJD-UMVBOHGHSA-N 0 3 350.419 -0.194 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001215385049 844542309 /nfs/dbraw/zinc/54/23/09/844542309.db2.gz KBGQSGPTUIUDJD-VNHYZAJKSA-N 0 3 350.419 -0.194 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215385094 844542176 /nfs/dbraw/zinc/54/21/76/844542176.db2.gz KWBLBJRKESVQLX-GMTAPVOTSA-N 0 3 364.368 -0.278 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)C[C@H]1C ZINC001215385662 844542152 /nfs/dbraw/zinc/54/21/52/844542152.db2.gz TWRDMQUYFMGODT-BMFZPTHFSA-N 0 3 352.479 -0.188 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@H]1C ZINC001215385663 844542225 /nfs/dbraw/zinc/54/22/25/844542225.db2.gz TWRDMQUYFMGODT-FVQBIDKESA-N 0 3 352.479 -0.188 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215385728 844542707 /nfs/dbraw/zinc/54/27/07/844542707.db2.gz WYHSPJUCNGZXQI-BPLDGKMQSA-N 0 3 350.463 -0.040 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C ZINC001215385746 844542542 /nfs/dbraw/zinc/54/25/42/844542542.db2.gz YDGFWVWACTVPKK-MGPQQGTHSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)N(C)CC(F)(F)F ZINC001215388476 844542660 /nfs/dbraw/zinc/54/26/60/844542660.db2.gz FLIUTLBAPNEJAP-KXUCPTDWSA-N 0 3 367.372 -0.500 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)N(C)CC(F)(F)F ZINC001215388477 844542337 /nfs/dbraw/zinc/54/23/37/844542337.db2.gz FLIUTLBAPNEJAP-OPRDCNLKSA-N 0 3 367.372 -0.500 20 0 FBADHN CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001215388518 844542250 /nfs/dbraw/zinc/54/22/50/844542250.db2.gz HIZPXKMLOYUTOV-MCIONIFRSA-N 0 3 359.492 -0.133 20 0 FBADHN CC(C)N1C(=O)CC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215388737 844542601 /nfs/dbraw/zinc/54/26/01/844542601.db2.gz LLEAKZJTVMUQSV-UTUOFQBUSA-N 0 3 353.423 -0.983 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215392870 844542352 /nfs/dbraw/zinc/54/23/52/844542352.db2.gz FTMRRBRWKFOYLA-MRRJBJDNSA-N 0 3 357.426 -0.153 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215392871 844542716 /nfs/dbraw/zinc/54/27/16/844542716.db2.gz FTMRRBRWKFOYLA-SUYBPPKGSA-N 0 3 357.426 -0.153 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001215392947 844542194 /nfs/dbraw/zinc/54/21/94/844542194.db2.gz ICUQHUQGMGCFHB-NSODJVPESA-N 0 3 356.398 -0.460 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001215392948 844542467 /nfs/dbraw/zinc/54/24/67/844542467.db2.gz ICUQHUQGMGCFHB-SIVJFFJCSA-N 0 3 356.398 -0.460 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215393341 844542449 /nfs/dbraw/zinc/54/24/49/844542449.db2.gz YFBWUPUOZQCVMO-KFWWJZLASA-N 0 3 361.508 -0.423 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215393342 844542328 /nfs/dbraw/zinc/54/23/28/844542328.db2.gz YFBWUPUOZQCVMO-RBSFLKMASA-N 0 3 361.508 -0.423 20 0 FBADHN CC(C)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215393371 844542524 /nfs/dbraw/zinc/54/25/24/844542524.db2.gz YYGOTLCRNNXWII-BMFZPTHFSA-N 0 3 352.479 -0.189 20 0 FBADHN CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215393372 844542563 /nfs/dbraw/zinc/54/25/63/844542563.db2.gz YYGOTLCRNNXWII-FVQBIDKESA-N 0 3 352.479 -0.189 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C ZINC001215393384 844542632 /nfs/dbraw/zinc/54/26/32/844542632.db2.gz ZETMIJAJVOFSOI-HSMVNMDESA-N 0 3 358.414 -0.213 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C ZINC001215393385 844542382 /nfs/dbraw/zinc/54/23/82/844542382.db2.gz ZETMIJAJVOFSOI-XHBSWPGZSA-N 0 3 358.414 -0.213 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C ZINC001215396769 844543367 /nfs/dbraw/zinc/54/33/67/844543367.db2.gz APLAOUMTFDKAEY-TZMCWYRMSA-N 0 3 351.451 -0.069 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C ZINC001215396881 844543530 /nfs/dbraw/zinc/54/35/30/844543530.db2.gz IBAAWUSRABLACA-ZYHUDNBSSA-N 0 3 350.423 -0.376 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C ZINC001215396891 844543707 /nfs/dbraw/zinc/54/37/07/844543707.db2.gz IMMLTNZBJUWGKU-TZMCWYRMSA-N 0 3 351.451 -0.069 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1C ZINC001215397019 844543457 /nfs/dbraw/zinc/54/34/57/844543457.db2.gz OSAQXCLYMWCMFD-ZWNOBZJWSA-N 0 3 351.382 -0.345 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1C)C(=O)NC(N)=O ZINC001215398657 844543606 /nfs/dbraw/zinc/54/36/06/844543606.db2.gz DFUQATKSXXIHBV-GBIKHYSHSA-N 0 3 351.382 -0.217 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1C)C(=O)NC(N)=O ZINC001215398658 844543331 /nfs/dbraw/zinc/54/33/31/844543331.db2.gz DFUQATKSXXIHBV-GIPNMCIBSA-N 0 3 351.382 -0.217 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C ZINC001215399388 844543411 /nfs/dbraw/zinc/54/34/11/844543411.db2.gz XVKUMIVALHAHLW-CKYFFXLPSA-N 0 3 350.423 -0.377 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C ZINC001215399390 844543274 /nfs/dbraw/zinc/54/32/74/844543274.db2.gz XVKUMIVALHAHLW-JFGNBEQYSA-N 0 3 350.423 -0.377 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1NCCS(C)(=O)=O ZINC001215400861 844543390 /nfs/dbraw/zinc/54/33/90/844543390.db2.gz FYPQQKDEPNVDAA-MBNYWOFBSA-N 0 3 369.491 -0.599 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1NCCS(C)(=O)=O ZINC001215400862 844543600 /nfs/dbraw/zinc/54/36/00/844543600.db2.gz FYPQQKDEPNVDAA-YRGRVCCFSA-N 0 3 369.491 -0.599 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C[C@H]1NCCS(C)(=O)=O ZINC001215401491 844543719 /nfs/dbraw/zinc/54/37/19/844543719.db2.gz PVCVDFIONQXDPT-BXKDBHETSA-N 0 3 367.431 -0.242 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC001215402676 844543168 /nfs/dbraw/zinc/54/31/68/844543168.db2.gz AYGQHAMJKZBYEB-DGCLKSJQSA-N 0 3 350.419 -0.164 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC001215402696 844543381 /nfs/dbraw/zinc/54/33/81/844543381.db2.gz BTPLTEUWKTZMRG-DGCLKSJQSA-N 0 3 350.419 -0.118 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1NCCS(C)(=O)=O ZINC001215402771 844543643 /nfs/dbraw/zinc/54/36/43/844543643.db2.gz DHVTVCRPUILXPB-ZYHUDNBSSA-N 0 3 357.432 -0.598 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@H]1NCCS(C)(=O)=O ZINC001215403411 844543464 /nfs/dbraw/zinc/54/34/64/844543464.db2.gz UQTKPLFZQALELK-ZYHUDNBSSA-N 0 3 366.447 -0.542 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001215403747 844543546 /nfs/dbraw/zinc/54/35/46/844543546.db2.gz YMVBVLKESVFLNY-NQBHXWOUSA-N 0 3 350.419 -0.166 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001215403748 844543290 /nfs/dbraw/zinc/54/32/90/844543290.db2.gz YMVBVLKESVFLNY-NTZNESFSSA-N 0 3 350.419 -0.166 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC001215403771 844543435 /nfs/dbraw/zinc/54/34/35/844543435.db2.gz ZRZZESNZJYFMRI-DGCLKSJQSA-N 0 3 350.419 -0.116 20 0 FBADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215409952 844543218 /nfs/dbraw/zinc/54/32/18/844543218.db2.gz JYZSMRNRUQQHCA-PSASIEDQSA-N 0 3 361.324 -0.502 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1NCCS(C)(=O)=O ZINC001215410280 844543739 /nfs/dbraw/zinc/54/37/39/844543739.db2.gz QSSOGVGRDOFXIB-NQBHXWOUSA-N 0 3 355.464 -0.294 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1NCCS(C)(=O)=O ZINC001215410288 844543319 /nfs/dbraw/zinc/54/33/19/844543319.db2.gz QSSOGVGRDOFXIB-NTZNESFSSA-N 0 3 355.464 -0.294 20 0 FBADHN CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215429419 844544464 /nfs/dbraw/zinc/54/44/64/844544464.db2.gz BODHXEOXTAYLDW-FRRDWIJNSA-N 0 3 362.496 -0.594 20 0 FBADHN CC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215429420 844544820 /nfs/dbraw/zinc/54/48/20/844544820.db2.gz BODHXEOXTAYLDW-JHJVBQTASA-N 0 3 362.496 -0.594 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215429445 844544782 /nfs/dbraw/zinc/54/47/82/844544782.db2.gz CPAKEYQYVVOPPT-BXUZGUMPSA-N 0 3 357.480 -0.266 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001215429520 844544450 /nfs/dbraw/zinc/54/44/50/844544450.db2.gz GWKOKTPIVKLGEO-CHWSQXEVSA-N 0 3 360.480 -0.886 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215429702 844544571 /nfs/dbraw/zinc/54/45/71/844544571.db2.gz NJENWNIPGXIPCA-CHWSQXEVSA-N 0 3 362.496 -0.640 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215429790 844544534 /nfs/dbraw/zinc/54/45/34/844544534.db2.gz OYSUWBCWHIGSRM-DGCLKSJQSA-N 0 3 360.480 -0.888 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1NCC(=O)NCC1CC1 ZINC001215429923 844544552 /nfs/dbraw/zinc/54/45/52/844544552.db2.gz UAAFJFUAKWSMPY-DGCLKSJQSA-N 0 3 360.480 -0.982 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215430046 844544763 /nfs/dbraw/zinc/54/47/63/844544763.db2.gz XHTZNPYRBZXYLO-CHWSQXEVSA-N 0 3 362.496 -0.592 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215430052 844544321 /nfs/dbraw/zinc/54/43/21/844544321.db2.gz XMLVQMIJIZWCMC-VXGBXAGGSA-N 0 3 362.496 -0.594 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215430155 844544310 /nfs/dbraw/zinc/54/43/10/844544310.db2.gz ZDMSKSLDFILUCY-CHWSQXEVSA-N 0 3 362.496 -0.642 20 0 FBADHN Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C)n[nH]1 ZINC001215431499 844544857 /nfs/dbraw/zinc/54/48/57/844544857.db2.gz ADJJLGOHIFXUII-CKYFFXLPSA-N 0 3 358.468 -0.321 20 0 FBADHN Cc1nc([C@H](C)N[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C)n[nH]1 ZINC001215431500 844544337 /nfs/dbraw/zinc/54/43/37/844544337.db2.gz ADJJLGOHIFXUII-JFGNBEQYSA-N 0 3 358.468 -0.321 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215431507 844544801 /nfs/dbraw/zinc/54/48/01/844544801.db2.gz ASTOGPLNQOPYDY-RKDXNWHRSA-N 0 3 350.341 -0.633 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001215431518 844544350 /nfs/dbraw/zinc/54/43/50/844544350.db2.gz BNVAUWFWVURFJU-CHWSQXEVSA-N 0 3 362.496 -0.736 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215431544 844544770 /nfs/dbraw/zinc/54/47/70/844544770.db2.gz DMTJJNQUDYUNNM-KXUCPTDWSA-N 0 3 364.368 -0.245 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215431545 844544691 /nfs/dbraw/zinc/54/46/91/844544691.db2.gz DMTJJNQUDYUNNM-OPRDCNLKSA-N 0 3 364.368 -0.245 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215431676 844545523 /nfs/dbraw/zinc/54/55/23/844545523.db2.gz KGURKUOVIDDMSR-NXEZZACHSA-N 0 3 364.368 -0.291 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001215431793 844545682 /nfs/dbraw/zinc/54/56/82/844545682.db2.gz OHIFDKNMCNJIAX-ZYHUDNBSSA-N 0 3 370.479 -0.313 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C)C1=O ZINC001215431794 844545823 /nfs/dbraw/zinc/54/58/23/844545823.db2.gz OHKKXWZWEQTOEP-FRRDWIJNSA-N 0 3 360.480 -0.888 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C)C1=O ZINC001215431795 844545192 /nfs/dbraw/zinc/54/51/92/844545192.db2.gz OHKKXWZWEQTOEP-JHJVBQTASA-N 0 3 360.480 -0.888 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C)cn1 ZINC001215431869 844545251 /nfs/dbraw/zinc/54/52/51/844545251.db2.gz RRPFEJJVXZNGSZ-BXUZGUMPSA-N 0 3 355.464 -0.210 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215432026 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844546539 /nfs/dbraw/zinc/54/65/39/844546539.db2.gz DEIADJDBEKTJEA-KXUCPTDWSA-N 0 3 352.395 -0.980 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C ZINC001215462963 844546587 /nfs/dbraw/zinc/54/65/87/844546587.db2.gz DEIADJDBEKTJEA-OPRDCNLKSA-N 0 3 352.395 -0.980 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C ZINC001215463340 844546529 /nfs/dbraw/zinc/54/65/29/844546529.db2.gz SAGYXSCRMZDNHH-VXGBXAGGSA-N 0 3 353.423 -0.672 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C ZINC001215463359 844546833 /nfs/dbraw/zinc/54/68/33/844546833.db2.gz TYQOQEISQJAPPL-NXEZZACHSA-N 0 3 352.395 -0.979 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C ZINC001215465170 844546686 /nfs/dbraw/zinc/54/66/86/844546686.db2.gz GPCFBFFEPBCAPZ-VXGBXAGGSA-N 0 3 353.423 -0.672 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215465235 844546766 /nfs/dbraw/zinc/54/67/66/844546766.db2.gz JJDOHRQBNTTWHC-RKDXNWHRSA-N 0 3 363.340 -0.146 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C ZINC001215481917 844547712 /nfs/dbraw/zinc/54/77/12/844547712.db2.gz DQCJGYKFSPNRAO-XNJGSVPQSA-N 0 3 354.451 -0.756 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215482730 844548048 /nfs/dbraw/zinc/54/80/48/844548048.db2.gz RNOYMNUPVYHMPP-RULNRJAQSA-N 0 3 364.368 -0.230 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215482774 844547659 /nfs/dbraw/zinc/54/76/59/844547659.db2.gz SPEYRRXLVBGYPD-DFHBCGBQSA-N 0 3 350.463 -0.040 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C ZINC001215482860 844547973 /nfs/dbraw/zinc/54/79/73/844547973.db2.gz XLYGHTNIFIEDBP-XNJGSVPQSA-N 0 3 354.451 -0.756 20 0 FBADHN CCCC1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCNC(=O)C3)C2)CC1 ZINC001215490422 844547956 /nfs/dbraw/zinc/54/79/56/844547956.db2.gz BAXRBAIJZMROPT-ZIAGYGMSSA-N 0 3 350.463 -0.038 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001215495480 844547645 /nfs/dbraw/zinc/54/76/45/844547645.db2.gz BCZYIGYVKBCFMM-GMTAPVOTSA-N 0 3 355.357 -0.237 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001215495481 844548015 /nfs/dbraw/zinc/54/80/15/844548015.db2.gz BCZYIGYVKBCFMM-MXWKQRLJSA-N 0 3 355.357 -0.237 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001215495836 844548086 /nfs/dbraw/zinc/54/80/86/844548086.db2.gz IYUXKMAMJUEOQD-BPLDGKMQSA-N 0 3 357.451 -0.621 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001215495838 844547620 /nfs/dbraw/zinc/54/76/20/844547620.db2.gz IYUXKMAMJUEOQD-YUELXQCFSA-N 0 3 357.451 -0.621 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1C ZINC001215511418 844548766 /nfs/dbraw/zinc/54/87/66/844548766.db2.gz LHELVHKFYXICBN-GMSGAONNSA-N 0 3 358.349 -0.147 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C)C(=O)N(C)C ZINC001215511679 844548578 /nfs/dbraw/zinc/54/85/78/844548578.db2.gz NMAXGJAOWDFQLF-FRRDWIJNSA-N 0 3 356.442 -0.235 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C)C(=O)N(C)C ZINC001215511680 844549046 /nfs/dbraw/zinc/54/90/46/844549046.db2.gz NMAXGJAOWDFQLF-JHJVBQTASA-N 0 3 356.442 -0.235 20 0 FBADHN Cc1cc(CCC(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)no1 ZINC001215514444 844548911 /nfs/dbraw/zinc/54/89/11/844548911.db2.gz NVEHWIJXYSDRSM-IRUJWGPZSA-N 0 3 351.407 -0.064 20 0 FBADHN Cc1cc(CCC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)no1 ZINC001215514445 844548814 /nfs/dbraw/zinc/54/88/14/844548814.db2.gz NVEHWIJXYSDRSM-SUZMYJTESA-N 0 3 351.407 -0.064 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@H]1C ZINC001215514687 844549035 /nfs/dbraw/zinc/54/90/35/844549035.db2.gz XBVYGZNHTZVCGL-ZWNOBZJWSA-N 0 3 351.407 -0.192 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C)C(=O)NC(N)=O ZINC001215520426 844549055 /nfs/dbraw/zinc/54/90/55/844549055.db2.gz BECZDISMNNDCRY-KHQFGBGNSA-N 0 3 351.363 -0.988 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1C)C(=O)NC(N)=O ZINC001215520428 844548882 /nfs/dbraw/zinc/54/88/82/844548882.db2.gz BECZDISMNNDCRY-NQMVMOMDSA-N 0 3 351.363 -0.988 20 0 FBADHN CCc1c(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)nnn1CC ZINC001215523155 844548851 /nfs/dbraw/zinc/54/88/51/844548851.db2.gz DAFPTPXLNMPXON-VXGBXAGGSA-N 0 3 357.480 -0.045 20 0 FBADHN CCc1c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)nnn1CC ZINC001215524053 844548628 /nfs/dbraw/zinc/54/86/28/844548628.db2.gz XMMPVEDPDVUQHC-NXEZZACHSA-N 0 3 351.411 -0.895 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C ZINC001215525103 844548779 /nfs/dbraw/zinc/54/87/79/844548779.db2.gz BTFNSIZQSZHLNA-YIYPIFLZSA-N 0 3 354.451 -0.805 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215525108 844548922 /nfs/dbraw/zinc/54/89/22/844548922.db2.gz CAFAWAOUIRSFCQ-DFHBCGBQSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215525109 844548664 /nfs/dbraw/zinc/54/86/64/844548664.db2.gz CAFAWAOUIRSFCQ-RVZJWNSFSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1NCC(=O)N(C)C ZINC001215525358 844548685 /nfs/dbraw/zinc/54/86/85/844548685.db2.gz MVLWGLVHBVNXMR-YIYPIFLZSA-N 0 3 354.451 -0.853 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C)C1CC1 ZINC001215525516 844548484 /nfs/dbraw/zinc/54/84/84/844548484.db2.gz SBNMNMAMRBYLGS-DFHBCGBQSA-N 0 3 350.463 -0.040 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C)C1CC1 ZINC001215525517 844548602 /nfs/dbraw/zinc/54/86/02/844548602.db2.gz SBNMNMAMRBYLGS-RVZJWNSFSA-N 0 3 350.463 -0.040 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C ZINC001215525518 844548461 /nfs/dbraw/zinc/54/84/61/844548461.db2.gz SDYSFBVPRQWFGU-PBFPGSCMSA-N 0 3 354.451 -0.898 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C ZINC001215525519 844548932 /nfs/dbraw/zinc/54/89/32/844548932.db2.gz SDYSFBVPRQWFGU-XNJGSVPQSA-N 0 3 354.451 -0.898 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215527663 844548802 /nfs/dbraw/zinc/54/88/02/844548802.db2.gz LRZPQQVOHDCJLZ-FVCCEPFGSA-N 0 3 354.451 -0.630 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215527666 844548532 /nfs/dbraw/zinc/54/85/32/844548532.db2.gz LUSBQAMMYGBTOJ-RUZUBIRVSA-N 0 3 352.435 -0.923 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527673 844548825 /nfs/dbraw/zinc/54/88/25/844548825.db2.gz MIULZYUJRYNGAX-YIYPIFLZSA-N 0 3 354.451 -0.677 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527690 844549073 /nfs/dbraw/zinc/54/90/73/844549073.db2.gz MZBQHQCZZKAXCF-YIYPIFLZSA-N 0 3 354.451 -0.628 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527702 844548892 /nfs/dbraw/zinc/54/88/92/844548892.db2.gz NKPRISPXSOBJIE-YIYPIFLZSA-N 0 3 354.451 -0.772 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215527718 844548949 /nfs/dbraw/zinc/54/89/49/844548949.db2.gz ODRXTSXBRZEXJY-GPCCPHFNSA-N 0 3 364.368 -0.372 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215527719 844548840 /nfs/dbraw/zinc/54/88/40/844548840.db2.gz ODRXTSXBRZEXJY-RULNRJAQSA-N 0 3 364.368 -0.372 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001215527746 844548902 /nfs/dbraw/zinc/54/89/02/844548902.db2.gz OWYRYKVJCLSYDQ-YIYPIFLZSA-N 0 3 354.451 -0.676 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C ZINC001215527798 844548887 /nfs/dbraw/zinc/54/88/87/844548887.db2.gz RNZQZITVCKRLKK-PBFPGSCMSA-N 0 3 354.451 -0.898 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C ZINC001215527799 844548974 /nfs/dbraw/zinc/54/89/74/844548974.db2.gz RNZQZITVCKRLKK-XNJGSVPQSA-N 0 3 354.451 -0.898 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215527806 844548860 /nfs/dbraw/zinc/54/88/60/844548860.db2.gz RWAQFFLSWGFNOO-DFHBCGBQSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215527807 844548962 /nfs/dbraw/zinc/54/89/62/844548962.db2.gz RWAQFFLSWGFNOO-RVZJWNSFSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1NCC(=O)NC(N)=O ZINC001215531987 844548871 /nfs/dbraw/zinc/54/88/71/844548871.db2.gz FYSOVPVWCAIUHM-PSASIEDQSA-N 0 3 356.814 -0.753 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1C)C(=O)NC(N)=O ZINC001215532545 844549802 /nfs/dbraw/zinc/54/98/02/844549802.db2.gz OOHBIWKZOKVYNP-FXPVBKGRSA-N 0 3 370.841 -0.364 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1C)C(=O)NC(N)=O ZINC001215532569 844549860 /nfs/dbraw/zinc/54/98/60/844549860.db2.gz OOHBIWKZOKVYNP-WCABBAIRSA-N 0 3 370.841 -0.364 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1C ZINC001215536028 844549584 /nfs/dbraw/zinc/54/95/84/844549584.db2.gz DVIJPNWFZOLTNW-MWLCHTKSSA-N 0 3 370.841 -0.492 20 0 FBADHN C[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1NCC(=O)NC(N)=O ZINC001215536610 844549783 /nfs/dbraw/zinc/54/97/83/844549783.db2.gz VDZDWFKTQNROMY-NXEZZACHSA-N 0 3 351.411 -0.722 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1C ZINC001215540309 844549792 /nfs/dbraw/zinc/54/97/92/844549792.db2.gz LLFBOJXJVDXOOR-VXGBXAGGSA-N 0 3 358.414 -0.355 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215544251 844549510 /nfs/dbraw/zinc/54/95/10/844549510.db2.gz MKVOXDVPLOHZLQ-GRYCIOLGSA-N 0 3 358.414 -0.227 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215544252 844549570 /nfs/dbraw/zinc/54/95/70/844549570.db2.gz MKVOXDVPLOHZLQ-IJLUTSLNSA-N 0 3 358.414 -0.227 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2ccncc2Cl)C[C@H]1NCC(=O)NC(N)=O ZINC001215544464 844549760 /nfs/dbraw/zinc/54/97/60/844549760.db2.gz WEHSLQDOUFZHGS-BXKDBHETSA-N 0 3 353.810 -0.091 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215547999 844550065 /nfs/dbraw/zinc/55/00/65/844550065.db2.gz DQZIBHPAIYPBMB-REBRKWNGSA-N 0 3 350.463 -0.232 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCC(=O)NCC1CC1 ZINC001215548087 844549957 /nfs/dbraw/zinc/54/99/57/844549957.db2.gz HLPFVXKUFWNBBW-REBRKWNGSA-N 0 3 350.463 -0.327 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215550560 844549494 /nfs/dbraw/zinc/54/94/94/844549494.db2.gz ATBLZTCROFRZLQ-REBRKWNGSA-N 0 3 350.463 -0.149 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)NC1CCCCC1 ZINC001215551134 844549520 /nfs/dbraw/zinc/54/95/20/844549520.db2.gz LGRXWBPMZPHOAO-REBRKWNGSA-N 0 3 350.463 -0.007 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215551142 844550117 /nfs/dbraw/zinc/55/01/17/844550117.db2.gz LMJDZUDAZQTXAL-DOLQZWNJSA-N 0 3 350.341 -0.777 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215551788 844549919 /nfs/dbraw/zinc/54/99/19/844549919.db2.gz ZDZPUJWJWJEILX-GUIRCDHDSA-N 0 3 350.463 -0.055 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215554128 844549705 /nfs/dbraw/zinc/54/97/05/844549705.db2.gz CDBOUZONDLEDHR-CHWFTXMASA-N 0 3 364.368 -0.435 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001215554355 844550214 /nfs/dbraw/zinc/55/02/14/844550214.db2.gz MGIUFGAFISEGDL-APIJFGDWSA-N 0 3 352.479 -0.081 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)NCc1cccs1 ZINC001215554513 844549778 /nfs/dbraw/zinc/54/97/78/844549778.db2.gz URNSGGUVUXRRHI-RUZUBIRVSA-N 0 3 364.471 -0.078 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C ZINC001215557758 844550988 /nfs/dbraw/zinc/55/09/88/844550988.db2.gz BNRHBVHTUNATKV-UKRRQHHQSA-N 0 3 350.467 -0.044 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1C ZINC001215558164 844551118 /nfs/dbraw/zinc/55/11/18/844551118.db2.gz MQFHHVRKPJLHIC-ZYHUDNBSSA-N 0 3 353.448 -0.032 20 0 FBADHN C[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1NCCS(C)(=O)=O ZINC001215567634 844551035 /nfs/dbraw/zinc/55/10/35/844551035.db2.gz BAVORPNZWYOGJS-TZMCWYRMSA-N 0 3 369.491 -0.362 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C ZINC001215575119 844550697 /nfs/dbraw/zinc/55/06/97/844550697.db2.gz KQVNUKPELAGYEY-BXKDBHETSA-N 0 3 350.423 -0.078 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C ZINC001215579124 844550871 /nfs/dbraw/zinc/55/08/71/844550871.db2.gz HECXVSISTXUSFW-UKRRQHHQSA-N 0 3 351.451 -0.219 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C ZINC001215579155 844550751 /nfs/dbraw/zinc/55/07/51/844550751.db2.gz HSNKPAVXLUKAKC-DGCLKSJQSA-N 0 3 350.423 -0.526 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C ZINC001215579316 844551728 /nfs/dbraw/zinc/55/17/28/844551728.db2.gz LFWKWDNWGDSKLG-HLUHBDAQSA-N 0 3 350.423 -0.079 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C ZINC001215579319 844552095 /nfs/dbraw/zinc/55/20/95/844552095.db2.gz LFWKWDNWGDSKLG-UBHAPETDSA-N 0 3 350.423 -0.079 20 0 FBADHN C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1NCCS(C)(=O)=O ZINC001215579435 844552067 /nfs/dbraw/zinc/55/20/67/844552067.db2.gz NRFYCFXSBREXGO-VXGBXAGGSA-N 0 3 351.432 -0.176 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C ZINC001215579703 844551685 /nfs/dbraw/zinc/55/16/85/844551685.db2.gz UBDSWJWWQFRWNC-UKRRQHHQSA-N 0 3 351.451 -0.219 20 0 FBADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001215589405 844551466 /nfs/dbraw/zinc/55/14/66/844551466.db2.gz TWHUDMKELZUXHJ-CVMIBZJCSA-N 0 3 352.435 -0.164 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)ncc1C(N)=O ZINC001215594418 844551614 /nfs/dbraw/zinc/55/16/14/844551614.db2.gz KHCHNMCIEPUKAI-BXUZGUMPSA-N 0 3 368.459 -0.416 20 0 FBADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC3CC3)C2)O1 ZINC001215594846 844551492 /nfs/dbraw/zinc/55/14/92/844551492.db2.gz YTKINTVJCJGBCI-HBJVGIJOSA-N 0 3 352.435 -0.021 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1NCCS(C)(=O)=O ZINC001215602641 844551638 /nfs/dbraw/zinc/55/16/38/844551638.db2.gz IEADAUSDSAIKLX-FRRDWIJNSA-N 0 3 370.479 -0.893 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1NCCS(C)(=O)=O ZINC001215602642 844551578 /nfs/dbraw/zinc/55/15/78/844551578.db2.gz IEADAUSDSAIKLX-JHJVBQTASA-N 0 3 370.479 -0.893 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C ZINC001215602927 844551445 /nfs/dbraw/zinc/55/14/45/844551445.db2.gz QXTDXHRTWYTYCW-KSTCHIGDSA-N 0 3 352.435 -0.164 20 0 FBADHN Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001215604449 844552122 /nfs/dbraw/zinc/55/21/22/844552122.db2.gz BLIFPQNYHAPZHK-DGCLKSJQSA-N 0 3 370.475 -0.554 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1C ZINC001215614082 844552517 /nfs/dbraw/zinc/55/25/17/844552517.db2.gz XIVKZXIMGCTVFI-BPLDGKMQSA-N 0 3 356.467 -0.510 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1C ZINC001215614084 844552765 /nfs/dbraw/zinc/55/27/65/844552765.db2.gz XIVKZXIMGCTVFI-VHDGCEQUSA-N 0 3 356.467 -0.510 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1C ZINC001215616310 844552749 /nfs/dbraw/zinc/55/27/49/844552749.db2.gz AVQCMTPOYPLOBM-KGYLQXTDSA-N 0 3 355.439 -0.817 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1C ZINC001215616311 844552735 /nfs/dbraw/zinc/55/27/35/844552735.db2.gz AVQCMTPOYPLOBM-RAIGVLPGSA-N 0 3 355.439 -0.817 20 0 FBADHN CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001215616491 844552614 /nfs/dbraw/zinc/55/26/14/844552614.db2.gz DBQORDRCMJYMJA-BPLDGKMQSA-N 0 3 354.451 -0.804 20 0 FBADHN CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001215616492 844552626 /nfs/dbraw/zinc/55/26/26/844552626.db2.gz DBQORDRCMJYMJA-VHDGCEQUSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1NCCS(C)(=O)=O ZINC001215616499 844552721 /nfs/dbraw/zinc/55/27/21/844552721.db2.gz DJSQJQFNUZSYLK-TZMCWYRMSA-N 0 3 368.459 -0.708 20 0 FBADHN CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001215617024 844552589 /nfs/dbraw/zinc/55/25/89/844552589.db2.gz MXNOJMZVDOGWME-BPLDGKMQSA-N 0 3 356.467 -0.510 20 0 FBADHN CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001215617025 844552689 /nfs/dbraw/zinc/55/26/89/844552689.db2.gz MXNOJMZVDOGWME-VHDGCEQUSA-N 0 3 356.467 -0.510 20 0 FBADHN CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001215642462 844553251 /nfs/dbraw/zinc/55/32/51/844553251.db2.gz QRGXGBVMKWGWPR-ZYHUDNBSSA-N 0 3 350.423 -0.283 20 0 FBADHN CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001215646728 844553536 /nfs/dbraw/zinc/55/35/36/844553536.db2.gz RSAGGNAXTXPRGY-ADEWGFFLSA-N 0 3 350.423 -0.155 20 0 FBADHN CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001215646737 844553452 /nfs/dbraw/zinc/55/34/52/844553452.db2.gz RSAGGNAXTXPRGY-YUSALJHKSA-N 0 3 350.423 -0.155 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001215681060 844553819 /nfs/dbraw/zinc/55/38/19/844553819.db2.gz QYMCLTBLQAXMDN-DGCLKSJQSA-N 0 3 350.423 -0.376 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001215681098 844553774 /nfs/dbraw/zinc/55/37/74/844553774.db2.gz SFIRUHDXUVZSDH-NQBHXWOUSA-N 0 3 350.423 -0.377 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001215681099 844554777 /nfs/dbraw/zinc/55/47/77/844554777.db2.gz SFIRUHDXUVZSDH-NTZNESFSSA-N 0 3 350.423 -0.377 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C)cn1 ZINC001215684741 844554384 /nfs/dbraw/zinc/55/43/84/844554384.db2.gz AHQYXQPIXDJUHC-JTNHKYCSSA-N 0 3 355.464 -0.341 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C)cn1 ZINC001215684742 844554547 /nfs/dbraw/zinc/55/45/47/844554547.db2.gz AHQYXQPIXDJUHC-UHIISALHSA-N 0 3 355.464 -0.341 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215684904 844554656 /nfs/dbraw/zinc/55/46/56/844554656.db2.gz IJUNBAZBQKIDEJ-FRRDWIJNSA-N 0 3 362.496 -0.773 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215684905 844554830 /nfs/dbraw/zinc/55/48/30/844554830.db2.gz IJUNBAZBQKIDEJ-JHJVBQTASA-N 0 3 362.496 -0.773 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C)ccn1 ZINC001215684942 844554476 /nfs/dbraw/zinc/55/44/76/844554476.db2.gz JPBOQUZWPFSMNH-MBNYWOFBSA-N 0 3 370.475 -0.036 20 0 FBADHN COc1cc(CN[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C)ccn1 ZINC001215684943 844554622 /nfs/dbraw/zinc/55/46/22/844554622.db2.gz JPBOQUZWPFSMNH-YRGRVCCFSA-N 0 3 370.475 -0.036 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001215685174 844554739 /nfs/dbraw/zinc/55/47/39/844554739.db2.gz ODGHYWUFKOUWBK-UMVBOHGHSA-N 0 3 351.451 -0.070 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001215685175 844554609 /nfs/dbraw/zinc/55/46/09/844554609.db2.gz ODGHYWUFKOUWBK-VNHYZAJKSA-N 0 3 351.451 -0.070 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001215685383 844554239 /nfs/dbraw/zinc/55/42/39/844554239.db2.gz QDIVHYJTFSLYKO-CKYFFXLPSA-N 0 3 370.479 -0.444 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001215685385 844554694 /nfs/dbraw/zinc/55/46/94/844554694.db2.gz QDIVHYJTFSLYKO-JFGNBEQYSA-N 0 3 370.479 -0.444 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215685509 844554533 /nfs/dbraw/zinc/55/45/33/844554533.db2.gz RWGYWBXGPJYUPG-FRRDWIJNSA-N 0 3 362.496 -0.723 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215685510 844554856 /nfs/dbraw/zinc/55/48/56/844554856.db2.gz RWGYWBXGPJYUPG-JHJVBQTASA-N 0 3 362.496 -0.723 20 0 FBADHN COc1cccc(CN[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C)n1 ZINC001215685762 844554218 /nfs/dbraw/zinc/55/42/18/844554218.db2.gz VJLPTNKHLOYGER-MBNYWOFBSA-N 0 3 370.475 -0.036 20 0 FBADHN COc1cccc(CN[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C)n1 ZINC001215685764 844555405 /nfs/dbraw/zinc/55/54/05/844555405.db2.gz VJLPTNKHLOYGER-YRGRVCCFSA-N 0 3 370.475 -0.036 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215685817 844555800 /nfs/dbraw/zinc/55/58/00/844555800.db2.gz WBWZNQFSCJFWMK-FRRDWIJNSA-N 0 3 362.496 -0.771 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215685818 844555302 /nfs/dbraw/zinc/55/53/02/844555302.db2.gz WBWZNQFSCJFWMK-JHJVBQTASA-N 0 3 362.496 -0.771 20 0 FBADHN COc1ccc(CN[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C)cn1 ZINC001215685994 844555463 /nfs/dbraw/zinc/55/54/63/844555463.db2.gz XVHRTPHVHRKIOB-MBNYWOFBSA-N 0 3 370.475 -0.036 20 0 FBADHN COc1ccc(CN[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C)cn1 ZINC001215685995 844555525 /nfs/dbraw/zinc/55/55/25/844555525.db2.gz XVHRTPHVHRKIOB-YRGRVCCFSA-N 0 3 370.475 -0.036 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215686049 844555894 /nfs/dbraw/zinc/55/58/94/844555894.db2.gz YMZHYFSNJLRILA-MPKXVKKWSA-N 0 3 357.480 -0.397 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215686051 844555835 /nfs/dbraw/zinc/55/58/35/844555835.db2.gz YMZHYFSNJLRILA-SCDSUCTJSA-N 0 3 357.480 -0.397 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215686132 844555693 /nfs/dbraw/zinc/55/56/93/844555693.db2.gz ZPTJYVNOSBRAMO-FRRDWIJNSA-N 0 3 362.496 -0.867 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215686133 844555318 /nfs/dbraw/zinc/55/53/18/844555318.db2.gz ZPTJYVNOSBRAMO-JHJVBQTASA-N 0 3 362.496 -0.867 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001215686145 844555418 /nfs/dbraw/zinc/55/54/18/844555418.db2.gz ZVONWEOMPFLWFF-GRYCIOLGSA-N 0 3 362.496 -0.725 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001215686146 844555327 /nfs/dbraw/zinc/55/53/27/844555327.db2.gz ZVONWEOMPFLWFF-IJLUTSLNSA-N 0 3 362.496 -0.725 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C ZINC001215704925 844555582 /nfs/dbraw/zinc/55/55/82/844555582.db2.gz CZQHGCYIQLQGRQ-CKYFFXLPSA-N 0 3 370.841 -0.183 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C ZINC001215704926 844555853 /nfs/dbraw/zinc/55/58/53/844555853.db2.gz CZQHGCYIQLQGRQ-JFGNBEQYSA-N 0 3 370.841 -0.183 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C ZINC001215705135 844555293 /nfs/dbraw/zinc/55/52/93/844555293.db2.gz FCJFQQKQJIRRNY-MWLCHTKSSA-N 0 3 356.814 -0.571 20 0 FBADHN CCCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)CC1=O ZINC001215705187 844555817 /nfs/dbraw/zinc/55/58/17/844555817.db2.gz GXGCGIJBKMTTNW-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN CCCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)CC1=O ZINC001215705188 844555869 /nfs/dbraw/zinc/55/58/69/844555869.db2.gz GXGCGIJBKMTTNW-VNHYZAJKSA-N 0 3 350.463 -0.040 20 0 FBADHN CCCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)CC1=O ZINC001215705403 844555709 /nfs/dbraw/zinc/55/57/09/844555709.db2.gz KLWPPBDSHLAQRN-HZSPNIEDSA-N 0 3 359.492 -0.274 20 0 FBADHN CCCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)CC1=O ZINC001215705404 844555880 /nfs/dbraw/zinc/55/58/80/844555880.db2.gz KLWPPBDSHLAQRN-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C ZINC001215705453 844555598 /nfs/dbraw/zinc/55/55/98/844555598.db2.gz LWOOBLQSXVOCPD-ZYHUDNBSSA-N 0 3 370.841 -0.181 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1C ZINC001215705467 844556652 /nfs/dbraw/zinc/55/66/52/844556652.db2.gz MHWCDZVQNKVWPO-FRRDWIJNSA-N 0 3 350.423 -0.274 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001215705468 844556747 /nfs/dbraw/zinc/55/67/47/844556747.db2.gz MHWCDZVQNKVWPO-JHJVBQTASA-N 0 3 350.423 -0.274 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001215705578 844556852 /nfs/dbraw/zinc/55/68/52/844556852.db2.gz MQCNZBFDPXZELO-FXPVBKGRSA-N 0 3 356.814 -0.444 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001215705579 844556580 /nfs/dbraw/zinc/55/65/80/844556580.db2.gz MQCNZBFDPXZELO-WCABBAIRSA-N 0 3 356.814 -0.444 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C ZINC001215709627 844556690 /nfs/dbraw/zinc/55/66/90/844556690.db2.gz DGFLFPYJWIMUOW-UKRRQHHQSA-N 0 3 351.451 -0.219 20 0 FBADHN Cc1c(Cl)c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)nn1C ZINC001215709779 844556944 /nfs/dbraw/zinc/55/69/44/844556944.db2.gz GITPYBRRUNAWQK-VXNVDRBHSA-N 0 3 356.814 -0.373 20 0 FBADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1NCc1ccccn1 ZINC001215710039 844556869 /nfs/dbraw/zinc/55/68/69/844556869.db2.gz OPAJNXXZMARETB-TZMCWYRMSA-N 0 3 355.464 -0.586 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)c(C)n1 ZINC001215710165 844556360 /nfs/dbraw/zinc/55/63/60/844556360.db2.gz PTBRGEKXVHFLRW-IRUJWGPZSA-N 0 3 350.423 -0.155 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)c(C)n1 ZINC001215710166 844556765 /nfs/dbraw/zinc/55/67/65/844556765.db2.gz PTBRGEKXVHFLRW-SUZMYJTESA-N 0 3 350.423 -0.155 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C ZINC001215710258 844556456 /nfs/dbraw/zinc/55/64/56/844556456.db2.gz TWWKENLRDZKWMH-UKRRQHHQSA-N 0 3 351.451 -0.219 20 0 FBADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1NCc1cccnc1 ZINC001215710364 844556605 /nfs/dbraw/zinc/55/66/05/844556605.db2.gz UIEBKOZUPRZJSF-TZMCWYRMSA-N 0 3 355.464 -0.586 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C ZINC001215710452 844556777 /nfs/dbraw/zinc/55/67/77/844556777.db2.gz YBQCKPJXUPRFQZ-DGCLKSJQSA-N 0 3 350.423 -0.526 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1C ZINC001215710481 844556569 /nfs/dbraw/zinc/55/65/69/844556569.db2.gz YVRQIEVKBFEMDF-PSASIEDQSA-N 0 3 370.841 -0.112 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C ZINC001215714587 844556964 /nfs/dbraw/zinc/55/69/64/844556964.db2.gz KAOHSTAVBBDWPQ-KGYLQXTDSA-N 0 3 350.423 -0.528 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C ZINC001215714588 844556717 /nfs/dbraw/zinc/55/67/17/844556717.db2.gz KAOHSTAVBBDWPQ-RAIGVLPGSA-N 0 3 350.423 -0.528 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)c(C)n1 ZINC001215714978 844556837 /nfs/dbraw/zinc/55/68/37/844556837.db2.gz RPLCKLZCJYNRSW-ZWNOBZJWSA-N 0 3 350.423 -0.283 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)cn1 ZINC001215714994 844556512 /nfs/dbraw/zinc/55/65/12/844556512.db2.gz SCCKHQRLDNVIDA-DGCLKSJQSA-N 0 3 350.423 -0.201 20 0 FBADHN Cc1ncc(CN[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]2C)cn1 ZINC001215718631 844556976 /nfs/dbraw/zinc/55/69/76/844556976.db2.gz CKUSMKKAQWKHMQ-BXUZGUMPSA-N 0 3 370.479 -0.882 20 0 FBADHN Cc1ccn(CC(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)c(=O)c1 ZINC001215718679 844556790 /nfs/dbraw/zinc/55/67/90/844556790.db2.gz DYIYXIXABRCUFA-ZIAGYGMSSA-N 0 3 355.460 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1NCc1ccns1 ZINC001215718912 844556437 /nfs/dbraw/zinc/55/64/37/844556437.db2.gz HNSBTJPVOCCKBM-ZYHUDNBSSA-N 0 3 361.493 -0.524 20 0 FBADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1NCc1cncs1 ZINC001215719020 844556670 /nfs/dbraw/zinc/55/66/70/844556670.db2.gz JSBBOAAGIJEEQO-ZYHUDNBSSA-N 0 3 361.493 -0.524 20 0 FBADHN Cc1cccnc1CN[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C ZINC001215720027 844557523 /nfs/dbraw/zinc/55/75/23/844557523.db2.gz VYYCVEAJNYKDSU-UKRRQHHQSA-N 0 3 369.491 -0.277 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)cn1 ZINC001215720068 844557437 /nfs/dbraw/zinc/55/74/37/844557437.db2.gz XLBZJSDCFXGRTG-NQBHXWOUSA-N 0 3 350.423 -0.073 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)cn1 ZINC001215720069 844557567 /nfs/dbraw/zinc/55/75/67/844557567.db2.gz XLBZJSDCFXGRTG-NTZNESFSSA-N 0 3 350.423 -0.073 20 0 FBADHN CC(C)c1nccn1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215723026 844557854 /nfs/dbraw/zinc/55/78/54/844557854.db2.gz QXGTYXCYFXVZLA-VXGBXAGGSA-N 0 3 350.423 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1NCC(=O)N(C)C ZINC001215732097 844557653 /nfs/dbraw/zinc/55/76/53/844557653.db2.gz GXTURGSNMBCMEN-GHMZBOCLSA-N 0 3 357.432 -0.179 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1C ZINC001215732358 844557819 /nfs/dbraw/zinc/55/78/19/844557819.db2.gz KPUDPWYWBYSQME-GHMZBOCLSA-N 0 3 357.432 -0.131 20 0 FBADHN COc1c(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)c(C)nn1C ZINC001215732924 844557397 /nfs/dbraw/zinc/55/73/97/844557397.db2.gz RTLDANOUNOITRP-ZYHUDNBSSA-N 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ZINC001215773959 844560534 /nfs/dbraw/zinc/56/05/34/844560534.db2.gz FRBDIYRDZQQGMZ-VXGBXAGGSA-N 0 3 362.496 -0.435 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001215774185 844560385 /nfs/dbraw/zinc/56/03/85/844560385.db2.gz KUFOQSUMFOYHKI-FRRDWIJNSA-N 0 3 355.483 -0.003 20 0 FBADHN CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001215774186 844560769 /nfs/dbraw/zinc/56/07/69/844560769.db2.gz KUFOQSUMFOYHKI-JHJVBQTASA-N 0 3 355.483 -0.003 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1C ZINC001215778170 844561193 /nfs/dbraw/zinc/56/11/93/844561193.db2.gz CJNDTFGTDSJUOZ-DGCLKSJQSA-N 0 3 350.423 -0.201 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1C ZINC001215781243 844561583 /nfs/dbraw/zinc/56/15/83/844561583.db2.gz FNKYNWZVMPOPSD-FRRDWIJNSA-N 0 3 353.467 -0.071 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1C ZINC001215781245 844561696 /nfs/dbraw/zinc/56/16/96/844561696.db2.gz FNKYNWZVMPOPSD-JHJVBQTASA-N 0 3 353.467 -0.071 20 0 FBADHN CCn1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C2)n1 ZINC001215781482 844561246 /nfs/dbraw/zinc/56/12/46/844561246.db2.gz KOPAUIWMCRIXDV-NQBHXWOUSA-N 0 3 350.423 -0.203 20 0 FBADHN CCn1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C2)n1 ZINC001215781483 844561132 /nfs/dbraw/zinc/56/11/32/844561132.db2.gz KOPAUIWMCRIXDV-NTZNESFSSA-N 0 3 350.423 -0.203 20 0 FBADHN C[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001215782057 844561363 /nfs/dbraw/zinc/56/13/63/844561363.db2.gz TWLSBKCZHUJHNP-FRRDWIJNSA-N 0 3 351.451 -0.317 20 0 FBADHN C[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001215782060 844561324 /nfs/dbraw/zinc/56/13/24/844561324.db2.gz TWLSBKCZHUJHNP-JHJVBQTASA-N 0 3 351.451 -0.317 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1C ZINC001215782202 844561523 /nfs/dbraw/zinc/56/15/23/844561523.db2.gz XVOCZYXKTFJAST-CHWSQXEVSA-N 0 3 353.467 -0.070 20 0 FBADHN C[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1NCC(=O)N(C)C ZINC001215782228 844561642 /nfs/dbraw/zinc/56/16/42/844561642.db2.gz YKQRADBFRSECNN-CHWSQXEVSA-N 0 3 353.467 -0.118 20 0 FBADHN Cc1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001215789165 844561674 /nfs/dbraw/zinc/56/16/74/844561674.db2.gz MXHLXOCSIBEVPK-GMSGAONNSA-N 0 3 354.798 -0.317 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCc2scnc2C)C1)C(N)=O ZINC001215798179 844561656 /nfs/dbraw/zinc/56/16/56/844561656.db2.gz OOCRTQCRJGJVIS-JIMOISOXSA-N 0 3 367.475 -0.232 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)s2)C1)C(N)=O ZINC001215798193 844561614 /nfs/dbraw/zinc/56/16/14/844561614.db2.gz OUVVCPYMYIUXAE-BIGNPOOSSA-N 0 3 367.475 -0.232 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1C ZINC001215798487 844561506 /nfs/dbraw/zinc/56/15/06/844561506.db2.gz VSWKUCCHTFHOMH-LDYMZIIASA-N 0 3 368.825 -0.056 20 0 FBADHN COc1cncc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215798766 844561708 /nfs/dbraw/zinc/56/17/08/844561708.db2.gz YBQGQMWFANHOKU-FXPVBKGRSA-N 0 3 350.379 -0.881 20 0 FBADHN COc1cncc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)n1 ZINC001215798767 844561632 /nfs/dbraw/zinc/56/16/32/844561632.db2.gz YBQGQMWFANHOKU-WCABBAIRSA-N 0 3 350.379 -0.881 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1)C(N)=O ZINC001215802521 844561559 /nfs/dbraw/zinc/56/15/59/844561559.db2.gz FSSPFTMLFGMHIB-JIMOISOXSA-N 0 3 353.448 -0.540 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1)C(N)=O ZINC001215802577 844561811 /nfs/dbraw/zinc/56/18/11/844561811.db2.gz HHGRTFYUSDTWDF-JIMOISOXSA-N 0 3 353.448 -0.540 20 0 FBADHN CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ns2)C1)C(N)=O ZINC001215803335 844562826 /nfs/dbraw/zinc/56/28/26/844562826.db2.gz YZHNGHYCDBRUBL-BIGNPOOSSA-N 0 3 367.475 -0.232 20 0 FBADHN Cc1nc(N(C)C)sc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215807755 844562529 /nfs/dbraw/zinc/56/25/29/844562529.db2.gz GLGQSHOOJWGZFC-PSASIEDQSA-N 0 3 368.463 -0.237 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001215808237 844562426 /nfs/dbraw/zinc/56/24/26/844562426.db2.gz QNBLSUOVBOULKH-GZBFAFLISA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001215808238 844562697 /nfs/dbraw/zinc/56/26/97/844562697.db2.gz QNBLSUOVBOULKH-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C ZINC001215808525 844562520 /nfs/dbraw/zinc/56/25/20/844562520.db2.gz WTDPIBURHOCTTQ-CKYFFXLPSA-N 0 3 353.448 -0.034 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C ZINC001215808527 844562958 /nfs/dbraw/zinc/56/29/58/844562958.db2.gz WTDPIBURHOCTTQ-JFGNBEQYSA-N 0 3 353.448 -0.034 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1C ZINC001215812033 844562873 /nfs/dbraw/zinc/56/28/73/844562873.db2.gz DZUWAWPDSWPKJU-YUELXQCFSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1NCCS(C)(=O)=O ZINC001215812893 844562491 /nfs/dbraw/zinc/56/24/91/844562491.db2.gz QLECWYBRDWLQBM-YUELXQCFSA-N 0 3 371.503 -0.132 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1C ZINC001215812944 844562937 /nfs/dbraw/zinc/56/29/37/844562937.db2.gz SKQYFJVBCPYSEZ-BXKDBHETSA-N 0 3 353.379 -0.673 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1NCC(=O)N(C)C ZINC001215813160 844563029 /nfs/dbraw/zinc/56/30/29/844563029.db2.gz ZYPFMXQMBLVEPV-YUELXQCFSA-N 0 3 350.463 -0.088 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1NCCS(C)(=O)=O ZINC001215818180 844562295 /nfs/dbraw/zinc/56/22/95/844562295.db2.gz VMDKRAHZFVPITC-VXGBXAGGSA-N 0 3 351.432 -0.176 20 0 FBADHN COCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)no1 ZINC001215821033 844562548 /nfs/dbraw/zinc/56/25/48/844562548.db2.gz JMNRHJWDDMPYLV-KBVBSXBZSA-N 0 3 353.379 -0.546 20 0 FBADHN COCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)no1 ZINC001215821034 844562308 /nfs/dbraw/zinc/56/23/08/844562308.db2.gz JMNRHJWDDMPYLV-VDDIYKPWSA-N 0 3 353.379 -0.546 20 0 FBADHN COCC(=O)N[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1)C(C)C ZINC001215821105 844562979 /nfs/dbraw/zinc/56/29/79/844562979.db2.gz MPQRWOFKBSFULS-IOASZLSFSA-N 0 3 356.467 -0.702 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C ZINC001215821280 844562506 /nfs/dbraw/zinc/56/25/06/844562506.db2.gz PRQQEGYJOZHFLU-IOASZLSFSA-N 0 3 356.467 -0.654 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215825346 844562859 /nfs/dbraw/zinc/56/28/59/844562859.db2.gz NSAHTJQUZRNRNM-GRYCIOLGSA-N 0 3 355.439 -0.865 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215825347 844562733 /nfs/dbraw/zinc/56/27/33/844562733.db2.gz NSAHTJQUZRNRNM-IJLUTSLNSA-N 0 3 355.439 -0.865 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215825554 844562336 /nfs/dbraw/zinc/56/23/36/844562336.db2.gz XENWIYJPFCSPJC-TZMCWYRMSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215825556 844563503 /nfs/dbraw/zinc/56/35/03/844563503.db2.gz XJMZHZDHZBNTNC-NXEZZACHSA-N 0 3 352.357 -0.420 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215829025 844563821 /nfs/dbraw/zinc/56/38/21/844563821.db2.gz FDTDMFMOLQBXAK-VXGBXAGGSA-N 0 3 355.439 -0.863 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)NCc1ccco1 ZINC001215829377 844563422 /nfs/dbraw/zinc/56/34/22/844563422.db2.gz LFNWJPVWRMFXQL-TZMCWYRMSA-N 0 3 350.419 -0.189 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215829982 844563487 /nfs/dbraw/zinc/56/34/87/844563487.db2.gz WKEALXYMUSHMSS-HZSPNIEDSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215829983 844564011 /nfs/dbraw/zinc/56/40/11/844564011.db2.gz WKEALXYMUSHMSS-MGPQQGTHSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1NCC(=O)NC1CC1 ZINC001215832217 844563900 /nfs/dbraw/zinc/56/39/00/844563900.db2.gz FJHRDXXROQTJRF-ZYHUDNBSSA-N 0 3 360.480 -0.971 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215832339 844564041 /nfs/dbraw/zinc/56/40/41/844564041.db2.gz GLIKIJVARUKHIM-VXGBXAGGSA-N 0 3 362.496 -0.771 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1C)C(N)=O ZINC001215832593 844563636 /nfs/dbraw/zinc/56/36/36/844563636.db2.gz LLXXCFUJCJITAJ-JTNHKYCSSA-N 0 3 350.394 -0.248 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1C)C(N)=O ZINC001215832595 844563974 /nfs/dbraw/zinc/56/39/74/844563974.db2.gz LLXXCFUJCJITAJ-UHIISALHSA-N 0 3 350.394 -0.248 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215832614 844563940 /nfs/dbraw/zinc/56/39/40/844563940.db2.gz LWPFYRKTHIBPPP-VXGBXAGGSA-N 0 3 362.496 -0.723 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1NCc1ccnn1C ZINC001215832631 844563962 /nfs/dbraw/zinc/56/39/62/844563962.db2.gz MBADHXISOKKQHS-DGCLKSJQSA-N 0 3 357.480 -0.316 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1NCc1cncn1C ZINC001215832853 844564024 /nfs/dbraw/zinc/56/40/24/844564024.db2.gz PRMNXPDTPZFMLI-DGCLKSJQSA-N 0 3 357.480 -0.316 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1NCc1cnn(C)c1 ZINC001215832895 844563575 /nfs/dbraw/zinc/56/35/75/844563575.db2.gz QYHIJVRLUHBEBB-DGCLKSJQSA-N 0 3 357.480 -0.316 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215833027 844563536 /nfs/dbraw/zinc/56/35/36/844563536.db2.gz UZYYBCOIKZYYBX-BXUZGUMPSA-N 0 3 371.507 -0.007 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1C ZINC001215833046 844563446 /nfs/dbraw/zinc/56/34/46/844563446.db2.gz VPTNUEKESQPHMZ-BXUZGUMPSA-N 0 3 350.394 -0.376 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC001215833175 844563916 /nfs/dbraw/zinc/56/39/16/844563916.db2.gz YADSQOSKKVDUAE-VXGBXAGGSA-N 0 3 362.496 -0.725 20 0 FBADHN C[C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@H]1NCC(=O)N(C)C ZINC001215833267 844563613 /nfs/dbraw/zinc/56/36/13/844563613.db2.gz ZUHVRYGPQPKMDI-RKDXNWHRSA-N 0 3 362.356 -0.028 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215835796 844563762 /nfs/dbraw/zinc/56/37/62/844563762.db2.gz GGXNENNWRVERAF-GHMZBOCLSA-N 0 3 366.384 -0.078 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215835808 844564685 /nfs/dbraw/zinc/56/46/85/844564685.db2.gz GLZNEAYPEDVNQD-GMTAPVOTSA-N 0 3 366.384 -0.032 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215835809 844564634 /nfs/dbraw/zinc/56/46/34/844564634.db2.gz GLZNEAYPEDVNQD-OUAUKWLOSA-N 0 3 366.384 -0.032 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215835941 844564579 /nfs/dbraw/zinc/56/45/79/844564579.db2.gz JTQSBMRGNRBMIS-HZSPNIEDSA-N 0 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Cc1nc(CN[C@@H]2CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]2C)n[nH]1 ZINC001215836466 844565024 /nfs/dbraw/zinc/56/50/24/844565024.db2.gz VAALDNJTWTVHHM-MWLCHTKSSA-N 0 3 358.468 -0.623 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001215836562 844564472 /nfs/dbraw/zinc/56/44/72/844564472.db2.gz YMYCLLKCXZTPPM-HZSPNIEDSA-N 0 3 354.451 -0.852 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001215836564 844564728 /nfs/dbraw/zinc/56/47/28/844564728.db2.gz YMYCLLKCXZTPPM-MGPQQGTHSA-N 0 3 354.451 -0.852 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@H]1C ZINC001215840037 844564654 /nfs/dbraw/zinc/56/46/54/844564654.db2.gz BWKBOIWMDMKUME-BZPMIXESSA-N 0 3 362.496 -0.867 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2scnc2COC)C[C@H]1C ZINC001215840057 844564529 /nfs/dbraw/zinc/56/45/29/844564529.db2.gz CROTYCRGKKCDAJ-NXEZZACHSA-N 0 3 369.447 -0.205 20 0 FBADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 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ZINC001215888854 844566936 /nfs/dbraw/zinc/56/69/36/844566936.db2.gz SVRNKRQVBNMUMX-CHWSQXEVSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1NCCS(C)(=O)=O ZINC001215889012 844567115 /nfs/dbraw/zinc/56/71/15/844567115.db2.gz YUUWBMYTAVINLX-TZMCWYRMSA-N 0 3 359.492 -0.226 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1C ZINC001215891658 844566862 /nfs/dbraw/zinc/56/68/62/844566862.db2.gz HNJHCSGNPNAYOU-ZYHUDNBSSA-N 0 3 355.439 -0.959 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001215896226 844567248 /nfs/dbraw/zinc/56/72/48/844567248.db2.gz BKPDXUHYFHYEHI-GRYCIOLGSA-N 0 3 359.448 -0.947 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001215896227 844567286 /nfs/dbraw/zinc/56/72/86/844567286.db2.gz BKPDXUHYFHYEHI-IJLUTSLNSA-N 0 3 359.448 -0.947 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCS(C)(=O)=O)C[C@H]2C)C1=O ZINC001215896977 844568115 /nfs/dbraw/zinc/56/81/15/844568115.db2.gz ULGSVLQSKKAHCQ-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCS(C)(=O)=O)C[C@H]2C)C1=O ZINC001215896980 844568110 /nfs/dbraw/zinc/56/81/10/844568110.db2.gz ULGSVLQSKKAHCQ-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1N[C@H]1CCCN(C)C1=O ZINC001215896995 844568131 /nfs/dbraw/zinc/56/81/31/844568131.db2.gz USDAVFIPCUQBIF-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1N[C@@H]1CCCN(C)C1=O ZINC001215896997 844567860 /nfs/dbraw/zinc/56/78/60/844567860.db2.gz USDAVFIPCUQBIF-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1NCCS(C)(=O)=O ZINC001215899397 844568329 /nfs/dbraw/zinc/56/83/29/844568329.db2.gz GECRXRXRKZAORR-DGCLKSJQSA-N 0 3 351.432 -0.176 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001215899553 844567964 /nfs/dbraw/zinc/56/79/64/844567964.db2.gz JGVFANIDONIUIO-CHWSQXEVSA-N 0 3 359.492 -0.084 20 0 FBADHN CC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215903961 844568024 /nfs/dbraw/zinc/56/80/24/844568024.db2.gz LJGWCDUEVSOCFV-NQBHXWOUSA-N 0 3 352.435 -0.610 20 0 FBADHN CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215903962 844568346 /nfs/dbraw/zinc/56/83/46/844568346.db2.gz LJGWCDUEVSOCFV-NTZNESFSSA-N 0 3 352.435 -0.610 20 0 FBADHN CCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215903989 844567781 /nfs/dbraw/zinc/56/77/81/844567781.db2.gz MIUDCCXSKUBTEU-NQBHXWOUSA-N 0 3 352.435 -0.610 20 0 FBADHN CCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215903990 844568050 /nfs/dbraw/zinc/56/80/50/844568050.db2.gz MIUDCCXSKUBTEU-NTZNESFSSA-N 0 3 352.435 -0.610 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1NCC(=O)NC(N)=O ZINC001215904001 844568103 /nfs/dbraw/zinc/56/81/03/844568103.db2.gz MQNVQULEHYFQJW-HTQZYQBOSA-N 0 3 353.404 -0.908 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215904038 844567820 /nfs/dbraw/zinc/56/78/20/844567820.db2.gz OSYJWQYKDSNUBS-DGCLKSJQSA-N 0 3 352.435 -0.608 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215904047 844567922 /nfs/dbraw/zinc/56/79/22/844567922.db2.gz PDBSNSBAAACZKT-ZWNOBZJWSA-N 0 3 350.419 -0.904 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215904082 844568180 /nfs/dbraw/zinc/56/81/80/844568180.db2.gz QSVOZDNPBKVQCR-DGCLKSJQSA-N 0 3 352.435 -0.752 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215904094 844568193 /nfs/dbraw/zinc/56/81/93/844568193.db2.gz RHQAKEUEJFOQRI-DGCLKSJQSA-N 0 3 352.435 -0.656 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC001215904131 844568356 /nfs/dbraw/zinc/56/83/56/844568356.db2.gz SWTWCYUUUFKAHJ-DGCLKSJQSA-N 0 3 352.435 -0.658 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C)C(=O)NC(N)=O ZINC001215904139 844568211 /nfs/dbraw/zinc/56/82/11/844568211.db2.gz TYWUVGNMSNWCGW-HRDYMLBCSA-N 0 3 367.431 -0.520 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C)C(=O)NC(N)=O ZINC001215904140 844568163 /nfs/dbraw/zinc/56/81/63/844568163.db2.gz TYWUVGNMSNWCGW-IWSPIJDZSA-N 0 3 367.431 -0.520 20 0 FBADHN Cc1noc(Cl)c1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215904194 844568337 /nfs/dbraw/zinc/56/83/37/844568337.db2.gz WMEWJAPVKBDOFC-GMSGAONNSA-N 0 3 357.798 -0.190 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C ZINC001215904249 844568288 /nfs/dbraw/zinc/56/82/88/844568288.db2.gz YGKDCKMNZMRBDC-RKDXNWHRSA-N 0 3 367.431 -0.647 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1NCCS(C)(=O)=O ZINC001215904278 844568038 /nfs/dbraw/zinc/56/80/38/844568038.db2.gz YYSRFSFQRPALFB-NXEZZACHSA-N 0 3 359.473 -0.058 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215904282 844567979 /nfs/dbraw/zinc/56/79/79/844567979.db2.gz ZBJHOHGHQNOYEX-GBIKHYSHSA-N 0 3 350.419 -0.857 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215904287 844568227 /nfs/dbraw/zinc/56/82/27/844568227.db2.gz ZBJHOHGHQNOYEX-GIPNMCIBSA-N 0 3 350.419 -0.857 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215904325 844568264 /nfs/dbraw/zinc/56/82/64/844568264.db2.gz ZXXSTJFCWOJKCH-ZYHUDNBSSA-N 0 3 352.435 -0.610 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215904327 844567851 /nfs/dbraw/zinc/56/78/51/844567851.db2.gz ZYJLYUPMMHNBNM-ZWNOBZJWSA-N 0 3 350.419 -0.998 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001215907469 844567908 /nfs/dbraw/zinc/56/79/08/844567908.db2.gz AAOLQGUVNRPZFL-MBNYWOFBSA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001215907470 844567937 /nfs/dbraw/zinc/56/79/37/844567937.db2.gz AAOLQGUVNRPZFL-YRGRVCCFSA-N 0 3 350.423 -0.982 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215907634 844567881 /nfs/dbraw/zinc/56/78/81/844567881.db2.gz HPSIGGQIIZCVRK-MBNYWOFBSA-N 0 3 350.423 -0.840 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215907635 844568128 /nfs/dbraw/zinc/56/81/28/844568128.db2.gz HPSIGGQIIZCVRK-YRGRVCCFSA-N 0 3 350.423 -0.840 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907666 844567949 /nfs/dbraw/zinc/56/79/49/844567949.db2.gz JGIFGXVBDXHVOH-ZYHUDNBSSA-N 0 3 351.411 -0.899 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215907831 844568091 /nfs/dbraw/zinc/56/80/91/844568091.db2.gz QZVKVDWLDPAUGY-BXUZGUMPSA-N 0 3 350.423 -0.840 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907904 844567805 /nfs/dbraw/zinc/56/78/05/844567805.db2.gz UJRWTNPODZDOCS-CKYFFXLPSA-N 0 3 351.411 -0.901 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907905 844569206 /nfs/dbraw/zinc/56/92/06/844569206.db2.gz UJRWTNPODZDOCS-JFGNBEQYSA-N 0 3 351.411 -0.901 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215907968 844568745 /nfs/dbraw/zinc/56/87/45/844568745.db2.gz WLFKJKWXMAJJIR-MWLCHTKSSA-N 0 3 362.356 -0.114 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)CC3CC3)C2)CC1 ZINC001215911159 844568900 /nfs/dbraw/zinc/56/89/00/844568900.db2.gz BOMYPDZRGWVPBK-TZMCWYRMSA-N 0 3 350.463 -0.183 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCCOC)C2)CC1 ZINC001215911181 844568964 /nfs/dbraw/zinc/56/89/64/844568964.db2.gz CLWMCHCIVNUJLP-CHWSQXEVSA-N 0 3 354.451 -0.898 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C ZINC001215911194 844569039 /nfs/dbraw/zinc/56/90/39/844569039.db2.gz DDNPUIUBMPZFEX-CHWSQXEVSA-N 0 3 354.451 -0.898 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCCC3)C2)CC1 ZINC001215911256 844568952 /nfs/dbraw/zinc/56/89/52/844568952.db2.gz GKQAXTHIASGOCO-ZIAGYGMSSA-N 0 3 350.463 -0.038 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CCC3)C2)CC1 ZINC001215911573 844568925 /nfs/dbraw/zinc/56/89/25/844568925.db2.gz QHTVISPXFHRSRF-TZMCWYRMSA-N 0 3 350.463 -0.135 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C2)CC1 ZINC001215911953 844568889 /nfs/dbraw/zinc/56/88/89/844568889.db2.gz XPYYCEHQKNILNY-NXEZZACHSA-N 0 3 364.368 -0.372 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](N[C@H]3CCN(C(C)C)C3=O)C2)CC1 ZINC001215920260 844569065 /nfs/dbraw/zinc/56/90/65/844569065.db2.gz HOQJGZVGJGKMTK-HZSPNIEDSA-N 0 3 350.463 -0.042 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCN(C(C)C)C3=O)C2)CC1 ZINC001215920261 844568775 /nfs/dbraw/zinc/56/87/75/844568775.db2.gz HOQJGZVGJGKMTK-MGPQQGTHSA-N 0 3 350.463 -0.042 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C3CC3)C2)CC1 ZINC001215920272 844569179 /nfs/dbraw/zinc/56/91/79/844569179.db2.gz IEQTUMNAAHJSNA-MBNYWOFBSA-N 0 3 350.463 -0.136 20 0 FBADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C3CC3)C2)CC1 ZINC001215920273 844569389 /nfs/dbraw/zinc/56/93/89/844569389.db2.gz IEQTUMNAAHJSNA-YRGRVCCFSA-N 0 3 350.463 -0.136 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C)C1CC1 ZINC001215920636 844568847 /nfs/dbraw/zinc/56/88/47/844568847.db2.gz OXSFKCDGGSFNQU-TZMCWYRMSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215925198 844568974 /nfs/dbraw/zinc/56/89/74/844568974.db2.gz FQRAHBXMRCVUCH-FXPVBKGRSA-N 0 3 362.356 -0.068 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215925201 844568991 /nfs/dbraw/zinc/56/89/91/844568991.db2.gz FQRAHBXMRCVUCH-WCABBAIRSA-N 0 3 362.356 -0.068 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215926248 844568666 /nfs/dbraw/zinc/56/86/66/844568666.db2.gz VDWRPGHVEMIVHK-YRGRVCCFSA-N 0 3 352.439 -0.594 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215929630 844569349 /nfs/dbraw/zinc/56/93/49/844569349.db2.gz IRRQTXJKTRSSAE-GDBMZVCRSA-N 0 3 352.479 -0.329 20 0 FBADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215929957 844569030 /nfs/dbraw/zinc/56/90/30/844569030.db2.gz NBBWHQBVAYCSGT-GDBMZVCRSA-N 0 3 352.479 -0.234 20 0 FBADHN C[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001215934163 844568765 /nfs/dbraw/zinc/56/87/65/844568765.db2.gz GKKMVFJTGFHNBD-BZUAXINKSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001215934164 844568645 /nfs/dbraw/zinc/56/86/45/844568645.db2.gz GKKMVFJTGFHNBD-OWCLPIDISA-N 0 3 352.479 -0.186 20 0 FBADHN Cc1nccn1CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215934395 844569323 /nfs/dbraw/zinc/56/93/23/844569323.db2.gz QZGOBKIQWPKGSD-DGCLKSJQSA-N 0 3 350.423 -0.397 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001215938654 844569279 /nfs/dbraw/zinc/56/92/79/844569279.db2.gz IMCOVHNOHMQKOD-HZPDHXFCSA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1NCCS(C)(=O)=O ZINC001215939758 844570046 /nfs/dbraw/zinc/57/00/46/844570046.db2.gz CPYOFTYFEHUVLI-ZIAGYGMSSA-N 0 3 361.508 -0.422 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1NCC(=O)NC1CC1 ZINC001215940611 844570511 /nfs/dbraw/zinc/57/05/11/844570511.db2.gz YCSUXKXYLFXJHE-UKRRQHHQSA-N 0 3 352.479 -0.188 20 0 FBADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001215944640 844570482 /nfs/dbraw/zinc/57/04/82/844570482.db2.gz LHFZAIBMGDPFMU-DDTOSNHZSA-N 0 3 367.475 -0.150 20 0 FBADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001215944641 844569856 /nfs/dbraw/zinc/56/98/56/844569856.db2.gz LHFZAIBMGDPFMU-LERXQTSPSA-N 0 3 367.475 -0.150 20 0 FBADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001215945401 844570075 /nfs/dbraw/zinc/57/00/75/844570075.db2.gz VQOPKFVTZIUTMQ-DDTOSNHZSA-N 0 3 367.475 -0.150 20 0 FBADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001215945402 844570390 /nfs/dbraw/zinc/57/03/90/844570390.db2.gz VQOPKFVTZIUTMQ-LERXQTSPSA-N 0 3 367.475 -0.150 20 0 FBADHN CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)c1C ZINC001215948737 844570285 /nfs/dbraw/zinc/57/02/85/844570285.db2.gz BCWLDUSJGGCIFL-BXKDBHETSA-N 0 3 350.423 -0.235 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C ZINC001215949405 844570106 /nfs/dbraw/zinc/57/01/06/844570106.db2.gz XCCGJGUHQDLSNB-CKYFFXLPSA-N 0 3 355.439 -0.818 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C ZINC001215949406 844569880 /nfs/dbraw/zinc/56/98/80/844569880.db2.gz XCCGJGUHQDLSNB-JFGNBEQYSA-N 0 3 355.439 -0.818 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C ZINC001215952672 844569912 /nfs/dbraw/zinc/56/99/12/844569912.db2.gz BVIGUZYSNOQBTK-TZMCWYRMSA-N 0 3 356.467 -0.510 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C ZINC001215952925 844570374 /nfs/dbraw/zinc/57/03/74/844570374.db2.gz MVHODRHFGIGOJA-ZYHUDNBSSA-N 0 3 355.439 -0.817 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C ZINC001215953166 844570969 /nfs/dbraw/zinc/57/09/69/844570969.db2.gz SIEVXVGBZTYMEO-TZMCWYRMSA-N 0 3 356.467 -0.510 20 0 FBADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001215953177 844571633 /nfs/dbraw/zinc/57/16/33/844571633.db2.gz SUAUNFAHOORBQH-TZMCWYRMSA-N 0 3 354.451 -0.804 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C ZINC001215956606 844571649 /nfs/dbraw/zinc/57/16/49/844571649.db2.gz KYZRMZLANXADPU-BXKDBHETSA-N 0 3 350.423 -0.078 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C ZINC001215960355 844571203 /nfs/dbraw/zinc/57/12/03/844571203.db2.gz BFKBBHSSDPEWHN-GGZOMVNGSA-N 0 3 350.423 -0.079 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C ZINC001215960356 844571170 /nfs/dbraw/zinc/57/11/70/844571170.db2.gz BFKBBHSSDPEWHN-JFUSQASVSA-N 0 3 350.423 -0.079 20 0 FBADHN CC(C)CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215961475 844571056 /nfs/dbraw/zinc/57/10/56/844571056.db2.gz VYNPASPQKOZSGC-VXGBXAGGSA-N 0 3 355.439 -0.830 20 0 FBADHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215965271 844571256 /nfs/dbraw/zinc/57/12/56/844571256.db2.gz WEIODWSQYSRQNE-KBVBSXBZSA-N 0 3 350.423 -0.239 20 0 FBADHN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215965272 844571019 /nfs/dbraw/zinc/57/10/19/844571019.db2.gz WEIODWSQYSRQNE-VDDIYKPWSA-N 0 3 350.423 -0.239 20 0 FBADHN CCn1nc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)ccc1=O ZINC001215977207 844570975 /nfs/dbraw/zinc/57/09/75/844570975.db2.gz KEZWRWSPEJCOPB-DGCLKSJQSA-N 0 3 356.448 -0.642 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1NCC(=O)N(C)C ZINC001215981750 844571305 /nfs/dbraw/zinc/57/13/05/844571305.db2.gz KCHYQCCVTQJQDX-TZMCWYRMSA-N 0 3 354.451 -0.946 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C ZINC001215982235 844571486 /nfs/dbraw/zinc/57/14/86/844571486.db2.gz SALGDBUPRCHJGC-TZMCWYRMSA-N 0 3 354.451 -0.898 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C ZINC001215985342 844571511 /nfs/dbraw/zinc/57/15/11/844571511.db2.gz HZOXEKXUMPWLMX-MBNYWOFBSA-N 0 3 354.451 -0.900 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C ZINC001215985343 844571110 /nfs/dbraw/zinc/57/11/10/844571110.db2.gz HZOXEKXUMPWLMX-YRGRVCCFSA-N 0 3 354.451 -0.900 20 0 FBADHN CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001215989403 844571238 /nfs/dbraw/zinc/57/12/38/844571238.db2.gz AHUBODJTKSYTKH-FRRDWIJNSA-N 0 3 352.439 -0.214 20 0 FBADHN CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001215989404 844571078 /nfs/dbraw/zinc/57/10/78/844571078.db2.gz AHUBODJTKSYTKH-JHJVBQTASA-N 0 3 352.439 -0.214 20 0 FBADHN CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001215989698 844570989 /nfs/dbraw/zinc/57/09/89/844570989.db2.gz JEDHXZSJPQUWBH-GHMZBOCLSA-N 0 3 351.411 -0.519 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001215989772 844571192 /nfs/dbraw/zinc/57/11/92/844571192.db2.gz LZIVOQSJQMSNQJ-GMTAPVOTSA-N 0 3 351.411 -0.523 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001215989773 844572530 /nfs/dbraw/zinc/57/25/30/844572530.db2.gz LZIVOQSJQMSNQJ-OUAUKWLOSA-N 0 3 351.411 -0.523 20 0 FBADHN C[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1NCCS(C)(=O)=O ZINC001215997265 844572704 /nfs/dbraw/zinc/57/27/04/844572704.db2.gz LDRFZQQVHIJRIA-GHMZBOCLSA-N 0 3 352.420 -0.781 20 0 FBADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NCC(=O)NC(=O)NC(C)(C)C ZINC001216011743 844572729 /nfs/dbraw/zinc/57/27/29/844572729.db2.gz AMSHHXKYKVJSCP-MWLCHTKSSA-N 0 3 352.395 -0.256 20 0 FBADHN C[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1NCCS(C)(=O)=O ZINC001216012107 844572054 /nfs/dbraw/zinc/57/20/54/844572054.db2.gz HQKCDAQXGIXZKE-DGCLKSJQSA-N 0 3 351.432 -0.176 20 0 FBADHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001216012396 844572641 /nfs/dbraw/zinc/57/26/41/844572641.db2.gz KDMARPTWZYHADC-ZYHUDNBSSA-N 0 3 352.395 -0.399 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001216017037 844572133 /nfs/dbraw/zinc/57/21/33/844572133.db2.gz VNWLROMKYDLFNQ-KBVBSXBZSA-N 0 3 350.379 -0.504 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001216017039 844572071 /nfs/dbraw/zinc/57/20/71/844572071.db2.gz VNWLROMKYDLFNQ-VDDIYKPWSA-N 0 3 350.379 -0.504 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001216017167 844572442 /nfs/dbraw/zinc/57/24/42/844572442.db2.gz XMSCMCVGTXJCBB-CKYFFXLPSA-N 0 3 352.395 -0.258 20 0 FBADHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001216017168 844572560 /nfs/dbraw/zinc/57/25/60/844572560.db2.gz XMSCMCVGTXJCBB-JFGNBEQYSA-N 0 3 352.395 -0.258 20 0 FBADHN CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001216017253 844572183 /nfs/dbraw/zinc/57/21/83/844572183.db2.gz ZJAGWQAULOWCRN-ZYHUDNBSSA-N 0 3 352.395 -0.254 20 0 FBADHN CC(C)c1nnsc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216026597 844572471 /nfs/dbraw/zinc/57/24/71/844572471.db2.gz UUQXZJHBLUUWHW-RKDXNWHRSA-N 0 3 354.436 -0.094 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)c1C ZINC001216030156 844572585 /nfs/dbraw/zinc/57/25/85/844572585.db2.gz DFRWXVOJUTWICK-ZWNOBZJWSA-N 0 3 350.423 -0.283 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)c1C ZINC001216035096 844572750 /nfs/dbraw/zinc/57/27/50/844572750.db2.gz CBWYSIWTCUZZRC-GBIKHYSHSA-N 0 3 350.423 -0.155 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)c1C ZINC001216035097 844572606 /nfs/dbraw/zinc/57/26/06/844572606.db2.gz CBWYSIWTCUZZRC-GIPNMCIBSA-N 0 3 350.423 -0.155 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC001216044941 844572161 /nfs/dbraw/zinc/57/21/61/844572161.db2.gz AIPYNJMWPABEIF-HLUHBDAQSA-N 0 3 351.407 -0.690 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC001216044945 844572326 /nfs/dbraw/zinc/57/23/26/844572326.db2.gz AIPYNJMWPABEIF-UBHAPETDSA-N 0 3 351.407 -0.690 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC001216045017 844572668 /nfs/dbraw/zinc/57/26/68/844572668.db2.gz BCCLKENIQKXHKQ-BXKDBHETSA-N 0 3 351.407 -0.689 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C)C(=O)N(C)C ZINC001216046302 844572238 /nfs/dbraw/zinc/57/22/38/844572238.db2.gz SYPBBUUYSWZOAW-GRYCIOLGSA-N 0 3 367.475 -0.214 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C)C(=O)N(C)C ZINC001216046303 844572122 /nfs/dbraw/zinc/57/21/22/844572122.db2.gz SYPBBUUYSWZOAW-IJLUTSLNSA-N 0 3 367.475 -0.214 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001216046382 844572199 /nfs/dbraw/zinc/57/21/99/844572199.db2.gz XAODDCAZILQJFG-BXKDBHETSA-N 0 3 351.407 -0.737 20 0 FBADHN CCC(C)(C)NC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216049565 844572677 /nfs/dbraw/zinc/57/26/77/844572677.db2.gz DNEJEEAWNBIIOO-CHWSQXEVSA-N 0 3 351.455 -0.196 20 0 FBADHN CC(C)N(C)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216049593 844572089 /nfs/dbraw/zinc/57/20/89/844572089.db2.gz FTUZYTCDMRBIGI-HZSPNIEDSA-N 0 3 351.455 -0.245 20 0 FBADHN CC(C)N(C)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216049594 844573180 /nfs/dbraw/zinc/57/31/80/844573180.db2.gz FTUZYTCDMRBIGI-MGPQQGTHSA-N 0 3 351.455 -0.245 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)n(C)n1 ZINC001216049921 844573743 /nfs/dbraw/zinc/57/37/43/844573743.db2.gz KYKRUADGJWUNIS-ZYHUDNBSSA-N 0 3 350.423 -0.512 20 0 FBADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216049995 844573727 /nfs/dbraw/zinc/57/37/27/844573727.db2.gz MPNZZRVJVQQCIJ-HZSPNIEDSA-N 0 3 351.455 -0.340 20 0 FBADHN CC(C)[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216049998 844573551 /nfs/dbraw/zinc/57/35/51/844573551.db2.gz MPNZZRVJVQQCIJ-MGPQQGTHSA-N 0 3 351.455 -0.340 20 0 FBADHN CCC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216050013 844573737 /nfs/dbraw/zinc/57/37/37/844573737.db2.gz MWRIYZGSPYIONU-HZSPNIEDSA-N 0 3 351.455 -0.196 20 0 FBADHN CCC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216050015 844573748 /nfs/dbraw/zinc/57/37/48/844573748.db2.gz MWRIYZGSPYIONU-MGPQQGTHSA-N 0 3 351.455 -0.196 20 0 FBADHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216050347 844573711 /nfs/dbraw/zinc/57/37/11/844573711.db2.gz RQWQGXZQJDAWSL-NXEZZACHSA-N 0 3 363.344 -0.822 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)n(C)n1 ZINC001216050519 844573081 /nfs/dbraw/zinc/57/30/81/844573081.db2.gz SZZXNJVRBSEKBO-CKYFFXLPSA-N 0 3 350.423 -0.384 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)n(C)n1 ZINC001216050520 844573489 /nfs/dbraw/zinc/57/34/89/844573489.db2.gz SZZXNJVRBSEKBO-JFGNBEQYSA-N 0 3 350.423 -0.384 20 0 FBADHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001216050809 844573636 /nfs/dbraw/zinc/57/36/36/844573636.db2.gz XTKJJDNOAGTWOT-CHWSQXEVSA-N 0 3 351.455 -0.338 20 0 FBADHN CCN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216053091 844573407 /nfs/dbraw/zinc/57/34/07/844573407.db2.gz BCKBTMYNLVMHKK-HZSPNIEDSA-N 0 3 351.455 -0.243 20 0 FBADHN CCN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216053092 844573646 /nfs/dbraw/zinc/57/36/46/844573646.db2.gz BCKBTMYNLVMHKK-MGPQQGTHSA-N 0 3 351.455 -0.243 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)c(C)n1 ZINC001216053378 844573616 /nfs/dbraw/zinc/57/36/16/844573616.db2.gz KILKAVWIHZPPML-ZWNOBZJWSA-N 0 3 350.423 -0.153 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216053411 844573537 /nfs/dbraw/zinc/57/35/37/844573537.db2.gz LUYMEQRZGCAWNV-TZMCWYRMSA-N 0 3 351.455 -0.196 20 0 FBADHN CC(C)CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216053432 844573716 /nfs/dbraw/zinc/57/37/16/844573716.db2.gz MXLVSBYPWOPDQC-HZSPNIEDSA-N 0 3 351.455 -0.340 20 0 FBADHN CC(C)CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216053433 844573313 /nfs/dbraw/zinc/57/33/13/844573313.db2.gz MXLVSBYPWOPDQC-MGPQQGTHSA-N 0 3 351.455 -0.340 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C)C(=O)NC(C)(C)C ZINC001216053522 844573506 /nfs/dbraw/zinc/57/35/06/844573506.db2.gz QWMCOBHXGPDKLX-FRRDWIJNSA-N 0 3 351.455 -0.197 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C)C(=O)NC(C)(C)C ZINC001216053523 844573595 /nfs/dbraw/zinc/57/35/95/844573595.db2.gz QWMCOBHXGPDKLX-JHJVBQTASA-N 0 3 351.455 -0.197 20 0 FBADHN CCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216053533 844573442 /nfs/dbraw/zinc/57/34/42/844573442.db2.gz RJWMMGZUXYXUKW-HZSPNIEDSA-N 0 3 351.455 -0.196 20 0 FBADHN CCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216053534 844573677 /nfs/dbraw/zinc/57/36/77/844573677.db2.gz RJWMMGZUXYXUKW-MGPQQGTHSA-N 0 3 351.455 -0.196 20 0 FBADHN CCCn1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)c1C ZINC001216056915 844573041 /nfs/dbraw/zinc/57/30/41/844573041.db2.gz BDDKSWJBFWCXLD-ZWNOBZJWSA-N 0 3 350.423 -0.153 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001216061562 844573697 /nfs/dbraw/zinc/57/36/97/844573697.db2.gz KPFSCFUNAVXLPN-GRYCIOLGSA-N 0 3 350.423 -0.377 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001216061564 844573210 /nfs/dbraw/zinc/57/32/10/844573210.db2.gz KPFSCFUNAVXLPN-IJLUTSLNSA-N 0 3 350.423 -0.377 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001216061585 844573758 /nfs/dbraw/zinc/57/37/58/844573758.db2.gz LEJGNKQCZDVUQR-VXGBXAGGSA-N 0 3 350.423 -0.376 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001216065530 844573335 /nfs/dbraw/zinc/57/33/35/844573335.db2.gz RFDVWMBXBRUYCV-CJBNDPTMSA-N 0 3 352.435 -0.162 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001216065532 844573158 /nfs/dbraw/zinc/57/31/58/844573158.db2.gz RFDVWMBXBRUYCV-NDGTYSDOSA-N 0 3 352.435 -0.162 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C ZINC001216065694 844573567 /nfs/dbraw/zinc/57/35/67/844573567.db2.gz SMGFNBCTUXBFJB-PSASIEDQSA-N 0 3 358.349 -0.216 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001216066041 844573706 /nfs/dbraw/zinc/57/37/06/844573706.db2.gz YIWAPTDFJIIIJR-HZSPNIEDSA-N 0 3 351.451 -0.070 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001216066042 844573237 /nfs/dbraw/zinc/57/32/37/844573237.db2.gz YIWAPTDFJIIIJR-MGPQQGTHSA-N 0 3 351.451 -0.070 20 0 FBADHN CC(C)Cn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)cn1 ZINC001216069300 844573260 /nfs/dbraw/zinc/57/32/60/844573260.db2.gz PSVLMGTXCSASCM-DGCLKSJQSA-N 0 3 350.423 -0.216 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C)C(=O)NC(N)=O ZINC001216069353 844573732 /nfs/dbraw/zinc/57/37/32/844573732.db2.gz RPRDMTDIPUIAOH-KHQFGBGNSA-N 0 3 358.349 -0.088 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C)C(=O)NC(N)=O ZINC001216069354 844573387 /nfs/dbraw/zinc/57/33/87/844573387.db2.gz RPRDMTDIPUIAOH-NQMVMOMDSA-N 0 3 358.349 -0.088 20 0 FBADHN Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)c(=O)n1 ZINC001216077679 844574574 /nfs/dbraw/zinc/57/45/74/844574574.db2.gz LBEHQOMXBCBHNM-BXUZGUMPSA-N 0 3 370.475 -0.659 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C)C(=O)NC1CC1 ZINC001216090209 844574548 /nfs/dbraw/zinc/57/45/48/844574548.db2.gz CQPGOCREBINXND-FXPVBKGRSA-N 0 3 364.368 -0.232 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C)C(=O)NC1CC1 ZINC001216090210 844574207 /nfs/dbraw/zinc/57/42/07/844574207.db2.gz CQPGOCREBINXND-WCABBAIRSA-N 0 3 364.368 -0.232 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1NCC(=O)N1CCCC1 ZINC001216090877 844574562 /nfs/dbraw/zinc/57/45/62/844574562.db2.gz PXVXRQHFVGWGFK-GHMZBOCLSA-N 0 3 364.368 -0.276 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001216090946 844574463 /nfs/dbraw/zinc/57/44/63/844574463.db2.gz QIUBOAKPYALZDG-KXUCPTDWSA-N 0 3 350.341 -0.668 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001216090947 844574421 /nfs/dbraw/zinc/57/44/21/844574421.db2.gz QIUBOAKPYALZDG-OPRDCNLKSA-N 0 3 350.341 -0.668 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216091914 844574382 /nfs/dbraw/zinc/57/43/82/844574382.db2.gz XXAZPRJISKNLEM-MWLCHTKSSA-N 0 3 364.368 -0.278 20 0 FBADHN C[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1NCCS(C)(=O)=O ZINC001216099551 844574497 /nfs/dbraw/zinc/57/44/97/844574497.db2.gz UBOMAXADNZZWJT-DGCLKSJQSA-N 0 3 355.464 -0.217 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1NCC(=O)N1CCC1 ZINC001216108563 844574121 /nfs/dbraw/zinc/57/41/21/844574121.db2.gz APXFUVQGABSNAV-NXEZZACHSA-N 0 3 350.341 -0.666 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C)C1CC1 ZINC001216108801 844574236 /nfs/dbraw/zinc/57/42/36/844574236.db2.gz HRTKOWJPDFVJRD-LALPHHSUSA-N 0 3 350.463 -0.136 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C)C1CC1 ZINC001216108802 844574508 /nfs/dbraw/zinc/57/45/08/844574508.db2.gz HRTKOWJPDFVJRD-TYNCELHUSA-N 0 3 350.463 -0.136 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001216108844 844575392 /nfs/dbraw/zinc/57/53/92/844575392.db2.gz JIOYDNWIMUDZFW-NXEZZACHSA-N 0 3 352.357 -0.420 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001216109047 844575481 /nfs/dbraw/zinc/57/54/81/844575481.db2.gz JJUPZDLUIVAJDQ-IUODEOHRSA-N 0 3 350.463 -0.183 20 0 FBADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@H]2C)C1=O ZINC001216109668 844575199 /nfs/dbraw/zinc/57/51/99/844575199.db2.gz XHSXFMGRMVGYRQ-BPLDGKMQSA-N 0 3 350.463 -0.042 20 0 FBADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@H]2C)C1=O ZINC001216109669 844575641 /nfs/dbraw/zinc/57/56/41/844575641.db2.gz XHSXFMGRMVGYRQ-VHDGCEQUSA-N 0 3 350.463 -0.042 20 0 FBADHN CCN(C(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C)C1CC1 ZINC001216109719 844575619 /nfs/dbraw/zinc/57/56/19/844575619.db2.gz ZEHPTAYJVJCOKN-IUODEOHRSA-N 0 3 350.463 -0.040 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001216113989 844575334 /nfs/dbraw/zinc/57/53/34/844575334.db2.gz SBVFCGBQEOVOLM-TZMCWYRMSA-N 0 3 354.451 -0.898 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)nn1 ZINC001216117232 844575433 /nfs/dbraw/zinc/57/54/33/844575433.db2.gz BYWDSHUKLXLQNL-GHMZBOCLSA-N 0 3 351.411 -0.806 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001216117698 844575058 /nfs/dbraw/zinc/57/50/58/844575058.db2.gz HOQMZGQBROPIKN-GMTAPVOTSA-N 0 3 351.411 -0.678 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001216117701 844575311 /nfs/dbraw/zinc/57/53/11/844575311.db2.gz HOQMZGQBROPIKN-OUAUKWLOSA-N 0 3 351.411 -0.678 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCCOC)C2)nn1 ZINC001216117800 844575498 /nfs/dbraw/zinc/57/54/98/844575498.db2.gz JHHZHPDMCZGAFW-CHWSQXEVSA-N 0 3 352.439 -0.499 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@H]1C ZINC001216118153 844575117 /nfs/dbraw/zinc/57/51/17/844575117.db2.gz JXWXCFYCCOQSBA-GHMZBOCLSA-N 0 3 351.411 -0.635 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C ZINC001216118586 844575275 /nfs/dbraw/zinc/57/52/75/844575275.db2.gz QADRSLCNNZFUPU-CHWSQXEVSA-N 0 3 352.439 -0.499 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C ZINC001216119018 844575021 /nfs/dbraw/zinc/57/50/21/844575021.db2.gz YGWDWHICHISZBV-GHMZBOCLSA-N 0 3 351.411 -0.806 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C ZINC001216120642 844575556 /nfs/dbraw/zinc/57/55/56/844575556.db2.gz KNXVXKLNVKSLQS-FRRDWIJNSA-N 0 3 350.423 -0.889 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C ZINC001216120643 844575172 /nfs/dbraw/zinc/57/51/72/844575172.db2.gz KNXVXKLNVKSLQS-JHJVBQTASA-N 0 3 350.423 -0.889 20 0 FBADHN C[C@@H](Cc1cnn(C)c1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216120976 844575369 /nfs/dbraw/zinc/57/53/69/844575369.db2.gz MAUALDZEWBESJL-DMDPSCGWSA-N 0 3 350.423 -0.770 20 0 FBADHN C[C@H](Cc1cnn(C)c1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216120983 844575138 /nfs/dbraw/zinc/57/51/38/844575138.db2.gz MAUALDZEWBESJL-NQBHXWOUSA-N 0 3 350.423 -0.770 20 0 FBADHN CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001216121120 844575449 /nfs/dbraw/zinc/57/54/49/844575449.db2.gz NUPKKMSCODQXFB-GMTAPVOTSA-N 0 3 351.411 -0.508 20 0 FBADHN CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001216121123 844575408 /nfs/dbraw/zinc/57/54/08/844575408.db2.gz NUPKKMSCODQXFB-OUAUKWLOSA-N 0 3 351.411 -0.508 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)nnn1C(C)C ZINC001216121715 844575324 /nfs/dbraw/zinc/57/53/24/844575324.db2.gz UXFRSMGMFKTNIM-MWLCHTKSSA-N 0 3 351.411 -0.588 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C2)nn1 ZINC001216121894 844575461 /nfs/dbraw/zinc/57/54/61/844575461.db2.gz XUXWAEZTAVSFLU-GMTAPVOTSA-N 0 3 351.411 -0.808 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C2)nn1 ZINC001216121912 844575247 /nfs/dbraw/zinc/57/52/47/844575247.db2.gz XUXWAEZTAVSFLU-OUAUKWLOSA-N 0 3 351.411 -0.808 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001216124665 844576306 /nfs/dbraw/zinc/57/63/06/844576306.db2.gz BIMOGMQRHLYYGQ-GHMZBOCLSA-N 0 3 366.384 -0.030 20 0 FBADHN CC(C)N(C)C(=O)C1(C(=O)N2C[C@@H](C)[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001216125500 844576548 /nfs/dbraw/zinc/57/65/48/844576548.db2.gz VHPZLGMVWKWVOL-HZSPNIEDSA-N 0 3 350.463 -0.042 20 0 FBADHN CC(C)N(C)C(=O)C1(C(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001216125501 844576395 /nfs/dbraw/zinc/57/63/95/844576395.db2.gz VHPZLGMVWKWVOL-MGPQQGTHSA-N 0 3 350.463 -0.042 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1NCC(=O)N1CCC1 ZINC001216125515 844576263 /nfs/dbraw/zinc/57/62/63/844576263.db2.gz WEMAMJHFZHYBSM-GHMZBOCLSA-N 0 3 364.368 -0.276 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1NCC(=O)NC1CC1 ZINC001216128937 844576193 /nfs/dbraw/zinc/57/61/93/844576193.db2.gz APYZYDNTAUHVRH-MWLCHTKSSA-N 0 3 364.368 -0.230 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001216128941 844576699 /nfs/dbraw/zinc/57/66/99/844576699.db2.gz AYXUTSUNRHTLRS-KXUCPTDWSA-N 0 3 352.357 -0.374 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001216128942 844576711 /nfs/dbraw/zinc/57/67/11/844576711.db2.gz AYXUTSUNRHTLRS-OPRDCNLKSA-N 0 3 352.357 -0.374 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001216128949 844576494 /nfs/dbraw/zinc/57/64/94/844576494.db2.gz BOIKAISBNSBEAA-GMTAPVOTSA-N 0 3 364.368 -0.278 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001216128950 844576518 /nfs/dbraw/zinc/57/65/18/844576518.db2.gz BOIKAISBNSBEAA-OUAUKWLOSA-N 0 3 364.368 -0.278 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001216128968 844576429 /nfs/dbraw/zinc/57/64/29/844576429.db2.gz CEXJMNNVIFMYQO-NXEZZACHSA-N 0 3 352.357 -0.372 20 0 FBADHN C[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1NCCS(C)(=O)=O ZINC001216129046 844576340 /nfs/dbraw/zinc/57/63/40/844576340.db2.gz GPQGNWGUHXNGAU-CHWSQXEVSA-N 0 3 356.448 -0.886 20 0 FBADHN COCc1nc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)co1 ZINC001216129077 844576798 /nfs/dbraw/zinc/57/67/98/844576798.db2.gz IERZZTYERFCDGB-KXUCPTDWSA-N 0 3 353.379 -0.546 20 0 FBADHN COCc1nc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)co1 ZINC001216129078 844576623 /nfs/dbraw/zinc/57/66/23/844576623.db2.gz IERZZTYERFCDGB-OPRDCNLKSA-N 0 3 353.379 -0.546 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1C ZINC001216129216 844576725 /nfs/dbraw/zinc/57/67/25/844576725.db2.gz LCETVTCLBTTYKK-NXEZZACHSA-N 0 3 353.379 -0.673 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1N[C@H]1CCNC1=O ZINC001216129271 844576642 /nfs/dbraw/zinc/57/66/42/844576642.db2.gz MXZWOIOLRYWBOJ-KXUCPTDWSA-N 0 3 350.341 -0.620 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1N[C@@H]1CCNC1=O ZINC001216129272 844576686 /nfs/dbraw/zinc/57/66/86/844576686.db2.gz MXZWOIOLRYWBOJ-OPRDCNLKSA-N 0 3 350.341 -0.620 20 0 FBADHN C[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1NCC(=O)N(C)C ZINC001216129276 844576481 /nfs/dbraw/zinc/57/64/81/844576481.db2.gz NAOIEAQVLINREO-NXEZZACHSA-N 0 3 352.357 -0.420 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C)C(=O)N(C)C ZINC001216129984 844576331 /nfs/dbraw/zinc/57/63/31/844576331.db2.gz XXTZNKKLAYCYPN-GMTAPVOTSA-N 0 3 366.384 -0.032 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1C)C(=O)N(C)C ZINC001216129985 844576349 /nfs/dbraw/zinc/57/63/49/844576349.db2.gz XXTZNKKLAYCYPN-OUAUKWLOSA-N 0 3 366.384 -0.032 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C)C(=O)N(C)C ZINC001216132525 844576387 /nfs/dbraw/zinc/57/63/87/844576387.db2.gz BGISNFZUOOFCJB-FRRDWIJNSA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C)C(=O)N(C)C ZINC001216132526 844576227 /nfs/dbraw/zinc/57/62/27/844576227.db2.gz BGISNFZUOOFCJB-JHJVBQTASA-N 0 3 359.492 -0.133 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001216132551 844576248 /nfs/dbraw/zinc/57/62/48/844576248.db2.gz COHMMLGEIWIMEQ-CHWSQXEVSA-N 0 3 359.492 -0.084 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001216132924 844576236 /nfs/dbraw/zinc/57/62/36/844576236.db2.gz MJJOWFUGGNDDDQ-CHWSQXEVSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1NCC(=O)NC1CC1 ZINC001216132929 844576609 /nfs/dbraw/zinc/57/66/09/844576609.db2.gz MQVYASDXQURZRG-DGCLKSJQSA-N 0 3 357.476 -0.331 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001216133011 844576362 /nfs/dbraw/zinc/57/63/62/844576362.db2.gz QLKRTFGHUYAXNU-CHWSQXEVSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216133261 844576438 /nfs/dbraw/zinc/57/64/38/844576438.db2.gz WARYFVBYZRKWIX-TZMCWYRMSA-N 0 3 371.503 -0.084 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1NCC(=O)NC(N)=O ZINC001216136772 844577611 /nfs/dbraw/zinc/57/76/11/844577611.db2.gz MIVRIIFXBVNKGF-ZYHUDNBSSA-N 0 3 350.423 -0.671 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1C ZINC001216137296 844577796 /nfs/dbraw/zinc/57/77/96/844577796.db2.gz SXHUCXYTSTWVLG-HUUCEWRRSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1NCC(=O)N(C)C ZINC001216137532 844577851 /nfs/dbraw/zinc/57/78/51/844577851.db2.gz WOEVHRRCUVZYMV-HUUCEWRRSA-N 0 3 352.479 -0.234 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1C ZINC001216137603 844577345 /nfs/dbraw/zinc/57/73/45/844577345.db2.gz YFQHETVPFUGBAU-QLFBSQMISA-N 0 3 352.479 -0.188 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1C ZINC001216137605 844577484 /nfs/dbraw/zinc/57/74/84/844577484.db2.gz YFQHETVPFUGBAU-RBSFLKMASA-N 0 3 352.479 -0.188 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC001216139709 844577761 /nfs/dbraw/zinc/57/77/61/844577761.db2.gz CSUHQEHDLXQQEN-BXUZGUMPSA-N 0 3 353.423 -0.490 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC001216139777 844577686 /nfs/dbraw/zinc/57/76/86/844577686.db2.gz FSXXMGOFLAPCQT-BXKDBHETSA-N 0 3 352.395 -0.797 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC001216140242 844577447 /nfs/dbraw/zinc/57/74/47/844577447.db2.gz KDXQPFGBMTVUTE-BXUZGUMPSA-N 0 3 353.423 -0.490 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cncc(OCCOC)c2)C[C@H]1C ZINC001216140586 844577532 /nfs/dbraw/zinc/57/75/32/844577532.db2.gz QLAZPDJITMJXQA-IUODEOHRSA-N 0 3 350.419 -0.097 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC001216144030 844577645 /nfs/dbraw/zinc/57/76/45/844577645.db2.gz CDGGZCLLMWWAMZ-HLUHBDAQSA-N 0 3 352.395 -0.799 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC001216144032 844577733 /nfs/dbraw/zinc/57/77/33/844577733.db2.gz CDGGZCLLMWWAMZ-UBHAPETDSA-N 0 3 352.395 -0.799 20 0 FBADHN COC[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001216145424 844577806 /nfs/dbraw/zinc/57/78/06/844577806.db2.gz SPJARRHNFCLISA-BFHYXJOUSA-N 0 3 354.451 -0.946 20 0 FBADHN COC[C@H](C)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001216145425 844577566 /nfs/dbraw/zinc/57/75/66/844577566.db2.gz SPJARRHNFCLISA-MGPQQGTHSA-N 0 3 354.451 -0.946 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C ZINC001216149145 844577658 /nfs/dbraw/zinc/57/76/58/844577658.db2.gz DDVIAIJPCKOKBI-CHWSQXEVSA-N 0 3 352.439 -0.707 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C ZINC001216149222 844577555 /nfs/dbraw/zinc/57/75/55/844577555.db2.gz GUDNMDNATCFGCU-CHWSQXEVSA-N 0 3 352.439 -0.706 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C ZINC001216149403 844577622 /nfs/dbraw/zinc/57/76/22/844577622.db2.gz LIWNRAXLAYONBC-CHWSQXEVSA-N 0 3 352.439 -0.754 20 0 FBADHN C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1NCC(=O)NC1CC1 ZINC001216149760 844577305 /nfs/dbraw/zinc/57/73/05/844577305.db2.gz ROPRGQLQXJDSJI-DGCLKSJQSA-N 0 3 350.423 -0.953 20 0 FBADHN C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1NCC(=O)N1CCC1 ZINC001216150350 844577576 /nfs/dbraw/zinc/57/75/76/844577576.db2.gz ZTBAGJPGMWHHQK-CHWSQXEVSA-N 0 3 350.423 -1.000 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1 ZINC001216153241 844577633 /nfs/dbraw/zinc/57/76/33/844577633.db2.gz LICHLSARLCQEBH-TZMCWYRMSA-N 0 3 357.480 -0.362 20 0 FBADHN C[C@@H]1CN(C(=O)c2cccc3nsnc32)C[C@H]1NCC(=O)NC(N)=O ZINC001216153314 844578407 /nfs/dbraw/zinc/57/84/07/844578407.db2.gz NRYUUKMIRPPTSR-LDYMZIIASA-N 0 3 362.415 -0.064 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C ZINC001216153354 844578513 /nfs/dbraw/zinc/57/85/13/844578513.db2.gz OJAIMTOIEKXLTH-CHWSQXEVSA-N 0 3 362.496 -0.769 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C ZINC001216153496 844578478 /nfs/dbraw/zinc/57/84/78/844578478.db2.gz OXUCYYWQKXBFDV-CHWSQXEVSA-N 0 3 362.496 -0.817 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001216153498 844578427 /nfs/dbraw/zinc/57/84/27/844578427.db2.gz OXZHFYYWVGLOBP-TZMCWYRMSA-N 0 3 357.480 -0.362 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001216153553 844578456 /nfs/dbraw/zinc/57/84/56/844578456.db2.gz QTMIBVXXGJQYKH-IUODEOHRSA-N 0 3 371.507 -0.053 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001216153563 844578372 /nfs/dbraw/zinc/57/83/72/844578372.db2.gz RDOMTBPQZGGSNT-ZYHUDNBSSA-N 0 3 358.468 -0.669 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C)C(=O)N(C)C ZINC001216153579 844578382 /nfs/dbraw/zinc/57/83/82/844578382.db2.gz RVAQGNNPZCQWHV-FRRDWIJNSA-N 0 3 352.439 -0.755 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C)C(=O)N(C)C ZINC001216153580 844578496 /nfs/dbraw/zinc/57/84/96/844578496.db2.gz RVAQGNNPZCQWHV-JHJVBQTASA-N 0 3 352.439 -0.755 20 0 FBADHN C[C@@H]1CN(C(=O)c2scc3c2OCCO3)C[C@H]1NCC(=O)NC(N)=O ZINC001216185532 844578841 /nfs/dbraw/zinc/57/88/41/844578841.db2.gz XESGGOPGMYSEIY-RKDXNWHRSA-N 0 3 368.415 -0.236 20 0 FBADHN COc1ncc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)cn1 ZINC001216189422 844579110 /nfs/dbraw/zinc/57/91/10/844579110.db2.gz BYIXLMQWJQPENX-FXPVBKGRSA-N 0 3 350.379 -0.881 20 0 FBADHN COc1ncc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)cn1 ZINC001216189425 844579365 /nfs/dbraw/zinc/57/93/65/844579365.db2.gz BYIXLMQWJQPENX-WCABBAIRSA-N 0 3 350.379 -0.881 20 0 FBADHN Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H](NCCN(C)S(C)(=O)=O)C2)c[nH]1 ZINC001216189752 844579217 /nfs/dbraw/zinc/57/92/17/844579217.db2.gz HWFABVHOAYSVRN-BXUZGUMPSA-N 0 3 370.475 -0.375 20 0 FBADHN Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H](NCCNS(C)(=O)=O)C2)c[nH]1 ZINC001216189800 844579514 /nfs/dbraw/zinc/57/95/14/844579514.db2.gz KEYGBKZHEKEAIO-ZWNOBZJWSA-N 0 3 356.448 -0.717 20 0 FBADHN CCS(=O)(=O)NCCN[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1C ZINC001216190147 844579036 /nfs/dbraw/zinc/57/90/36/844579036.db2.gz MEDATMLZUGZOHR-BXUZGUMPSA-N 0 3 370.475 -0.327 20 0 FBADHN C[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001216197852 844578865 /nfs/dbraw/zinc/57/88/65/844578865.db2.gz VCCQMHUDMIDDOD-ZIAGYGMSSA-N 0 3 350.463 -0.038 20 0 FBADHN COc1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001216209220 844580805 /nfs/dbraw/zinc/58/08/05/844580805.db2.gz ROTNNXKNVHTYDQ-FXPVBKGRSA-N 0 3 350.379 -0.881 20 0 FBADHN COc1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001216209222 844580306 /nfs/dbraw/zinc/58/03/06/844580306.db2.gz ROTNNXKNVHTYDQ-WCABBAIRSA-N 0 3 350.379 -0.881 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C)C(=O)NC(N)=O ZINC001216229918 844580873 /nfs/dbraw/zinc/58/08/73/844580873.db2.gz RPTQUSDBVFXEMO-GRYCIOLGSA-N 0 3 351.411 -0.922 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C)C(=O)NC(N)=O ZINC001216229919 844580912 /nfs/dbraw/zinc/58/09/12/844580912.db2.gz RPTQUSDBVFXEMO-IJLUTSLNSA-N 0 3 351.411 -0.922 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216244032 844580474 /nfs/dbraw/zinc/58/04/74/844580474.db2.gz ISODFDKARYBPNK-UMVBOHGHSA-N 0 3 371.503 -0.084 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216244035 844580205 /nfs/dbraw/zinc/58/02/05/844580205.db2.gz ISODFDKARYBPNK-VNHYZAJKSA-N 0 3 371.503 -0.084 20 0 FBADHN CCC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001216244420 844580845 /nfs/dbraw/zinc/58/08/45/844580845.db2.gz LPPHMYHTKOSYON-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001216244421 844580967 /nfs/dbraw/zinc/58/09/67/844580967.db2.gz LPPHMYHTKOSYON-VNHYZAJKSA-N 0 3 350.463 -0.040 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001216244940 844580258 /nfs/dbraw/zinc/58/02/58/844580258.db2.gz QTJUYMIKSHPEOL-HZSPNIEDSA-N 0 3 359.492 -0.226 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001216244942 844580189 /nfs/dbraw/zinc/58/01/89/844580189.db2.gz QTJUYMIKSHPEOL-MGPQQGTHSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)C ZINC001216244955 844580441 /nfs/dbraw/zinc/58/04/41/844580441.db2.gz RDSIAZACAOKRAU-HZSPNIEDSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NCC(=O)N(C)C ZINC001216244956 844580166 /nfs/dbraw/zinc/58/01/66/844580166.db2.gz RDSIAZACAOKRAU-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001216245493 844581649 /nfs/dbraw/zinc/58/16/49/844581649.db2.gz 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844583523 /nfs/dbraw/zinc/58/35/23/844583523.db2.gz MQQLRTGMWDDSTN-ZIAGYGMSSA-N 0 3 354.451 -0.673 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C ZINC001216306762 844583647 /nfs/dbraw/zinc/58/36/47/844583647.db2.gz SRZYKPRAFKSEDE-VXGBXAGGSA-N 0 3 355.439 -0.686 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C ZINC001216306984 844583502 /nfs/dbraw/zinc/58/35/02/844583502.db2.gz WSVTZIHOYZKTTK-ZIAGYGMSSA-N 0 3 356.467 -0.379 20 0 FBADHN C[C@@H]1CN(C(=O)Cc2nnc[n-]2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001216309706 844583852 /nfs/dbraw/zinc/58/38/52/844583852.db2.gz ABCHTPUNNFHXKR-GHMZBOCLSA-N 0 3 363.447 -0.097 20 0 FBADHN Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3nnc[n-]3)C[C@H]2C)s1 ZINC001216309973 844583884 /nfs/dbraw/zinc/58/38/84/844583884.db2.gz IWAFCFRHVSHWPS-PSASIEDQSA-N 0 3 364.435 -0.418 20 0 FBADHN C[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001216314254 844584774 /nfs/dbraw/zinc/58/47/74/844584774.db2.gz LZGXLUJSSSFHGA-DGCLKSJQSA-N 0 3 356.423 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CCNC(=O)CN[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C ZINC001216323609 844584713 /nfs/dbraw/zinc/58/47/13/844584713.db2.gz IGBWCKFHVKKNCA-ZIAGYGMSSA-N 0 3 356.467 -0.508 20 0 FBADHN CCc1noc(COCC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC)C2)n1 ZINC001216323613 844584167 /nfs/dbraw/zinc/58/41/67/844584167.db2.gz IIKMRIOPKMBZGS-GRYCIOLGSA-N 0 3 353.423 -0.280 20 0 FBADHN CCc1noc(COCC(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC)C2)n1 ZINC001216323618 844584072 /nfs/dbraw/zinc/58/40/72/844584072.db2.gz IIKMRIOPKMBZGS-IJLUTSLNSA-N 0 3 353.423 -0.280 20 0 FBADHN COCCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001216324569 844584816 /nfs/dbraw/zinc/58/48/16/844584816.db2.gz VUFCEBIRENYLEK-HZSPNIEDSA-N 0 3 354.451 -0.756 20 0 FBADHN COCCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001216324570 844584830 /nfs/dbraw/zinc/58/48/30/844584830.db2.gz VUFCEBIRENYLEK-MGPQQGTHSA-N 0 3 354.451 -0.756 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)COCc2nc(CC)no2)C[C@H]1C ZINC001216324578 844584673 /nfs/dbraw/zinc/58/46/73/844584673.db2.gz VZKRDHDJEQXGSF-VXGBXAGGSA-N 0 3 353.423 -0.279 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001216327162 844584556 /nfs/dbraw/zinc/58/45/56/844584556.db2.gz NARHSKUAIBAXER-ZIAGYGMSSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216327209 844584679 /nfs/dbraw/zinc/58/46/79/844584679.db2.gz OATGMBCSASBRDQ-MBNYWOFBSA-N 0 3 350.463 -0.042 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216327210 844585771 /nfs/dbraw/zinc/58/57/71/844585771.db2.gz OATGMBCSASBRDQ-YRGRVCCFSA-N 0 3 350.463 -0.042 20 0 FBADHN C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1NCC(=O)NC(N)=O ZINC001216327273 844585733 /nfs/dbraw/zinc/58/57/33/844585733.db2.gz PJCXVKJMXDYMOC-MWLCHTKSSA-N 0 3 350.423 -0.048 20 0 FBADHN C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216327712 844585534 /nfs/dbraw/zinc/58/55/34/844585534.db2.gz 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C[C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@H]1NCC(=O)NC(N)=O ZINC001216335144 844585802 /nfs/dbraw/zinc/58/58/02/844585802.db2.gz CZQYEZZKGWHJGU-VXNVDRBHSA-N 0 3 358.349 -0.397 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C ZINC001216343918 844585649 /nfs/dbraw/zinc/58/56/49/844585649.db2.gz CHXLZQFZOQFIQB-PSASIEDQSA-N 0 3 356.814 -0.421 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C ZINC001216344669 844585689 /nfs/dbraw/zinc/58/56/89/844585689.db2.gz QSRNOQRSBNOBTA-MWLCHTKSSA-N 0 3 370.841 -0.031 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C)C(=O)NC(N)=O ZINC001216348403 844585608 /nfs/dbraw/zinc/58/56/08/844585608.db2.gz KYAVURNBUFTHOT-KHQFGBGNSA-N 0 3 356.814 -0.293 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C)C(=O)NC(N)=O ZINC001216348406 844585693 /nfs/dbraw/zinc/58/56/93/844585693.db2.gz KYAVURNBUFTHOT-NQMVMOMDSA-N 0 3 356.814 -0.293 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C ZINC001216349213 844585700 /nfs/dbraw/zinc/58/57/00/844585700.db2.gz UWBDTELJSGKBKY-FXPVBKGRSA-N 0 3 370.841 -0.032 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1C ZINC001216349215 844585748 /nfs/dbraw/zinc/58/57/48/844585748.db2.gz UWBDTELJSGKBKY-WCABBAIRSA-N 0 3 370.841 -0.032 20 0 FBADHN CCCCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001216351456 844585723 /nfs/dbraw/zinc/58/57/23/844585723.db2.gz CEXFQGFMEHEPSP-HZSPNIEDSA-N 0 3 359.492 -0.084 20 0 FBADHN CCCCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001216351459 844585675 /nfs/dbraw/zinc/58/56/75/844585675.db2.gz CEXFQGFMEHEPSP-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN CC(=O)N[C@@](C)(C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1)C1CC1 ZINC001216353263 844585638 /nfs/dbraw/zinc/58/56/38/844585638.db2.gz YDCFDNNZNYNWIP-DJSGYFEHSA-N 0 3 359.492 -0.228 20 0 FBADHN CC(=O)N[C@](C)(C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1)C1CC1 ZINC001216353264 844585451 /nfs/dbraw/zinc/58/54/51/844585451.db2.gz YDCFDNNZNYNWIP-XFJVYGCCSA-N 0 3 359.492 -0.228 20 0 FBADHN CC(=O)N[C@@](C)(C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)C1CC1 ZINC001216353285 844585409 /nfs/dbraw/zinc/58/54/09/844585409.db2.gz ZBTCGXFGXNSVSH-CDHAZOANSA-N 0 3 350.463 -0.040 20 0 FBADHN CC(=O)N[C@](C)(C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)C1CC1 ZINC001216353286 844585464 /nfs/dbraw/zinc/58/54/64/844585464.db2.gz ZBTCGXFGXNSVSH-DWQUBVKVSA-N 0 3 350.463 -0.040 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2conc2COC)C[C@H]1C ZINC001216356681 844585659 /nfs/dbraw/zinc/58/56/59/844585659.db2.gz FPSWNWSIMZENEU-MWLCHTKSSA-N 0 3 353.379 -0.673 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1C ZINC001216362390 844585761 /nfs/dbraw/zinc/58/57/61/844585761.db2.gz VCXLFVNZZVTVNZ-DGCLKSJQSA-N 0 3 350.423 -0.030 20 0 FBADHN COCc1nocc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001216362662 844585835 /nfs/dbraw/zinc/58/58/35/844585835.db2.gz YCOVZQCCRJLCBV-FXPVBKGRSA-N 0 3 353.379 -0.546 20 0 FBADHN 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ZINC001216370262 844586138 /nfs/dbraw/zinc/58/61/38/844586138.db2.gz ODTUIQRYSYQEAH-ZYHUDNBSSA-N 0 3 367.431 -0.470 20 0 FBADHN Cc1nc2nccc(C(=O)N3C[C@@H](C)[C@H](NCCS(C)(=O)=O)C3)n2n1 ZINC001216370396 844586438 /nfs/dbraw/zinc/58/64/38/844586438.db2.gz RTFYGMLUOSHKFC-ZYHUDNBSSA-N 0 3 366.447 -0.473 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1NCC(=O)NC1CC1 ZINC001216370413 844586751 /nfs/dbraw/zinc/58/67/51/844586751.db2.gz SSFAGJHLVUIUTK-BPLDGKMQSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1NCC(=O)NC1CC1 ZINC001216370414 844586782 /nfs/dbraw/zinc/58/67/82/844586782.db2.gz SSFAGJHLVUIUTK-VHDGCEQUSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN(C)C2=O)C[C@H]1NCCS(C)(=O)=O ZINC001216370519 844586392 /nfs/dbraw/zinc/58/63/92/844586392.db2.gz VPCAHOCMAAELLS-HZSPNIEDSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1NCCS(C)(=O)=O ZINC001216370521 844586267 /nfs/dbraw/zinc/58/62/67/844586267.db2.gz VPCAHOCMAAELLS-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1NCCS(C)(=O)=O ZINC001216374291 844586588 /nfs/dbraw/zinc/58/65/88/844586588.db2.gz DLVLZXPJCNINPF-LALPHHSUSA-N 0 3 354.476 -0.004 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1NCCS(C)(=O)=O ZINC001216374293 844586772 /nfs/dbraw/zinc/58/67/72/844586772.db2.gz DLVLZXPJCNINPF-TYNCELHUSA-N 0 3 354.476 -0.004 20 0 FBADHN CCOCCOCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216379428 844586672 /nfs/dbraw/zinc/58/66/72/844586672.db2.gz KSLXFQXKILDQNX-CHWSQXEVSA-N 0 3 358.439 -0.549 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001216382717 844586699 /nfs/dbraw/zinc/58/66/99/844586699.db2.gz ANZCHNMXMCJBJE-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001216382937 844586189 /nfs/dbraw/zinc/58/61/89/844586189.db2.gz FGFOFHAYELZLNR-UKRRQHHQSA-N 0 3 351.451 -0.448 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001216383837 844586371 /nfs/dbraw/zinc/58/63/71/844586371.db2.gz QYWFTJPRASTICA-DGCLKSJQSA-N 0 3 350.423 -0.755 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001216387563 844587466 /nfs/dbraw/zinc/58/74/66/844587466.db2.gz GFQAJHGEWNZXFC-DGCLKSJQSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1NCCS(C)(=O)=O ZINC001216387608 844587486 /nfs/dbraw/zinc/58/74/86/844587486.db2.gz IPODWOJEQZGJQE-VXGBXAGGSA-N 0 3 368.521 -0.319 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001216387614 844587508 /nfs/dbraw/zinc/58/75/08/844587508.db2.gz ISGYCQSUJXAJHU-FRRDWIJNSA-N 0 3 359.492 -0.133 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001216387615 844587455 /nfs/dbraw/zinc/58/74/55/844587455.db2.gz ISGYCQSUJXAJHU-JHJVBQTASA-N 0 3 359.492 -0.133 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]1C ZINC001216387619 844587429 /nfs/dbraw/zinc/58/74/29/844587429.db2.gz IVAPLVGINKTACF-BZPMIXESSA-N 0 3 355.483 -0.016 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1C ZINC001216387620 844587615 /nfs/dbraw/zinc/58/76/15/844587615.db2.gz IVAPLVGINKTACF-YRGRVCCFSA-N 0 3 355.483 -0.016 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001216387903 844587308 /nfs/dbraw/zinc/58/73/08/844587308.db2.gz LMPFRRFSKDQZCV-MPKXVKKWSA-N 0 3 353.467 -0.216 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001216387917 844587246 /nfs/dbraw/zinc/58/72/46/844587246.db2.gz LMPFRRFSKDQZCV-QKCSRTOESA-N 0 3 353.467 -0.216 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1N[C@H]1CCCNC1=O ZINC001216388302 844587651 /nfs/dbraw/zinc/58/76/51/844587651.db2.gz NTCODCBGUDRJNO-FRRDWIJNSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1N[C@@H]1CCCNC1=O ZINC001216388306 844587574 /nfs/dbraw/zinc/58/75/74/844587574.db2.gz NTCODCBGUDRJNO-JHJVBQTASA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1NCCS(C)(=O)=O ZINC001216388439 844587555 /nfs/dbraw/zinc/58/75/55/844587555.db2.gz RKRMDTPOFSYICH-IJLUTSLNSA-N 0 3 362.496 -0.450 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]1NCCS(C)(=O)=O ZINC001216388440 844587681 /nfs/dbraw/zinc/58/76/81/844587681.db2.gz RKRMDTPOFSYICH-UTUOFQBUSA-N 0 3 362.496 -0.450 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001216388554 844587695 /nfs/dbraw/zinc/58/76/95/844587695.db2.gz RVXQWGOOUYYDFR-BZPMIXESSA-N 0 3 353.467 -0.262 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001216388556 844587172 /nfs/dbraw/zinc/58/71/72/844587172.db2.gz RVXQWGOOUYYDFR-YRGRVCCFSA-N 0 3 353.467 -0.262 20 0 FBADHN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001216388759 844588860 /nfs/dbraw/zinc/58/88/60/844588860.db2.gz XBXBRFLMFBDZDV-CHWSQXEVSA-N 0 3 359.492 -0.132 20 0 FBADHN 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ZINC001216409212 844588556 /nfs/dbraw/zinc/58/85/56/844588556.db2.gz CQBJJTGTYCEMIO-RKDXNWHRSA-N 0 3 351.363 -0.959 20 0 FBADHN COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001216409235 844588145 /nfs/dbraw/zinc/58/81/45/844588145.db2.gz DITCDUCJOCVWDH-GHMZBOCLSA-N 0 3 357.432 -0.110 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1C ZINC001216409422 844588492 /nfs/dbraw/zinc/58/84/92/844588492.db2.gz GVRHGLJSNAHPGO-VXGBXAGGSA-N 0 3 350.423 -0.201 20 0 FBADHN CCn1cnc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C2)c1 ZINC001216413684 844588870 /nfs/dbraw/zinc/58/88/70/844588870.db2.gz PNUWUOYKRGVJAX-GRYCIOLGSA-N 0 3 350.423 -0.203 20 0 FBADHN CCn1cnc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C2)c1 ZINC001216413685 844588644 /nfs/dbraw/zinc/58/86/44/844588644.db2.gz PNUWUOYKRGVJAX-IJLUTSLNSA-N 0 3 350.423 -0.203 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1NCCS(C)(=O)=O ZINC001216417734 844588813 /nfs/dbraw/zinc/58/88/13/844588813.db2.gz YHXKVMLMOHOYJH-DGCLKSJQSA-N 0 3 355.464 -0.363 20 0 FBADHN CNC(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)cn1 ZINC001216424467 844588128 /nfs/dbraw/zinc/58/81/28/844588128.db2.gz ASKXCEHEOPLXLO-BXUZGUMPSA-N 0 3 368.459 -0.464 20 0 FBADHN CCCNC(=O)CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216431721 844589438 /nfs/dbraw/zinc/58/94/38/844589438.db2.gz JBGKGXFUYOLDBR-VXGBXAGGSA-N 0 3 355.439 -0.686 20 0 FBADHN CCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001216432223 844589477 /nfs/dbraw/zinc/58/94/77/844589477.db2.gz RTWDSBRFZSOODP-GRYCIOLGSA-N 0 3 355.439 -0.687 20 0 FBADHN CCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001216432224 844589515 /nfs/dbraw/zinc/58/95/15/844589515.db2.gz RTWDSBRFZSOODP-IJLUTSLNSA-N 0 3 355.439 -0.687 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1C ZINC001216432840 844589582 /nfs/dbraw/zinc/58/95/82/844589582.db2.gz XURAMHOKIYFUJN-VXGBXAGGSA-N 0 3 355.439 -0.863 20 0 FBADHN 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CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1C ZINC001216803401 844609191 /nfs/dbraw/zinc/60/91/91/844609191.db2.gz XWSDNWXXPYTFJE-MCIONIFRSA-N 0 3 359.492 -0.132 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1C ZINC001216803402 844609182 /nfs/dbraw/zinc/60/91/82/844609182.db2.gz XWSDNWXXPYTFJE-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1NCCS(C)(=O)=O ZINC001216803455 844609199 /nfs/dbraw/zinc/60/91/99/844609199.db2.gz YURYOXSWCWGAJN-IJLUTSLNSA-N 0 3 352.478 -0.955 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1NCCS(C)(=O)=O ZINC001216803458 844609026 /nfs/dbraw/zinc/60/90/26/844609026.db2.gz YURYOXSWCWGAJN-UTUOFQBUSA-N 0 3 352.478 -0.955 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCOCC2)C[C@H]1C ZINC001216804573 844609169 /nfs/dbraw/zinc/60/91/69/844609169.db2.gz HYFFLAPHMGWKBG-FRFSOERESA-N 0 3 352.479 -0.330 20 0 FBADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C2CC2)N2CCOCC2)C[C@H]1C ZINC001216804574 844608907 /nfs/dbraw/zinc/60/89/07/844608907.db2.gz HYFFLAPHMGWKBG-UNEWFSDZSA-N 0 3 352.479 -0.330 20 0 FBADHN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216811270 844609687 /nfs/dbraw/zinc/60/96/87/844609687.db2.gz DGZBVNJZSHSSCM-SVBLFDIKSA-N 0 3 355.439 -0.831 20 0 FBADHN CCN(CC)C(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216813587 844609094 /nfs/dbraw/zinc/60/90/94/844609094.db2.gz NPCOWXYJTQJNLK-VXGBXAGGSA-N 0 3 355.439 -0.734 20 0 FBADHN C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1NCCS(C)(=O)=O ZINC001216816510 844610601 /nfs/dbraw/zinc/61/06/01/844610601.db2.gz FHFCMVWVXADXLS-ZYHUDNBSSA-N 0 3 354.432 -0.725 20 0 FBADHN COc1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)cc1Cl ZINC001216821367 844610332 /nfs/dbraw/zinc/61/03/32/844610332.db2.gz GWZMYTYZEKFLKY-LDYMZIIASA-N 0 3 369.809 -0.011 20 0 FBADHN Cc1nnc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1)CC2 ZINC001216821770 844610627 /nfs/dbraw/zinc/61/06/27/844610627.db2.gz PRHIMACCQQSKFA-KWCYVHTRSA-N 0 3 369.491 -0.370 20 0 FBADHN Cc1nnc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1)CC2 ZINC001216821771 844610614 /nfs/dbraw/zinc/61/06/14/844610614.db2.gz PRHIMACCQQSKFA-MRVWCRGKSA-N 0 3 369.491 -0.370 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1NCCS(C)(=O)=O ZINC001216822964 844610293 /nfs/dbraw/zinc/61/02/93/844610293.db2.gz HIGWYZWLCZTUBF-FRRDWIJNSA-N 0 3 355.464 -0.678 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1NCCS(C)(=O)=O ZINC001216822965 844610185 /nfs/dbraw/zinc/61/01/85/844610185.db2.gz HIGWYZWLCZTUBF-JHJVBQTASA-N 0 3 355.464 -0.678 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1NCCS(C)(=O)=O ZINC001216823270 844610473 /nfs/dbraw/zinc/61/04/73/844610473.db2.gz WBYZYTNCXZXRLQ-TZMCWYRMSA-N 0 3 368.459 -0.708 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1NCc1cncn1C ZINC001216824589 844610519 /nfs/dbraw/zinc/61/05/19/844610519.db2.gz BHLGIZIOMDAUAY-TZMCWYRMSA-N 0 3 357.480 -0.362 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)N1CCCCC1=O ZINC001216824640 844610676 /nfs/dbraw/zinc/61/06/76/844610676.db2.gz CYLXIBFPKFAYKW-GRYCIOLGSA-N 0 3 353.423 -0.981 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)N1CCCCC1=O ZINC001216824641 844610380 /nfs/dbraw/zinc/61/03/80/844610380.db2.gz CYLXIBFPKFAYKW-IJLUTSLNSA-N 0 3 353.423 -0.981 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001216824717 844610425 /nfs/dbraw/zinc/61/04/25/844610425.db2.gz HPAIWYCOTGPGGT-CHWSQXEVSA-N 0 3 362.496 -0.771 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C)C(=O)N(C)C ZINC001216824726 844610709 /nfs/dbraw/zinc/61/07/09/844610709.db2.gz HYVALEWJAVATIY-FRRDWIJNSA-N 0 3 362.496 -0.819 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C)C(=O)N(C)C ZINC001216824727 844610371 /nfs/dbraw/zinc/61/03/71/844610371.db2.gz HYVALEWJAVATIY-JHJVBQTASA-N 0 3 362.496 -0.819 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1NCc1ccnn1C ZINC001216824728 844610528 /nfs/dbraw/zinc/61/05/28/844610528.db2.gz IAUQBJRFFXNSDE-TZMCWYRMSA-N 0 3 357.480 -0.362 20 0 FBADHN Cc1nc(CN[C@@H]2CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]2C)n[nH]1 ZINC001216824821 844610450 /nfs/dbraw/zinc/61/04/50/844610450.db2.gz MQGKNDQESGSGTM-ZYHUDNBSSA-N 0 3 358.468 -0.669 20 0 FBADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001216824901 844610572 /nfs/dbraw/zinc/61/05/72/844610572.db2.gz QEIVQMVVEDLMAW-CHWSQXEVSA-N 0 3 362.496 -0.769 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001216824944 844610484 /nfs/dbraw/zinc/61/04/84/844610484.db2.gz RQWAMMSPXXVYFR-CHWSQXEVSA-N 0 3 362.496 -0.817 20 0 FBADHN C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1NCc1cnn(C)c1 ZINC001216824969 844610536 /nfs/dbraw/zinc/61/05/36/844610536.db2.gz SWVFLTLXTHPOTL-TZMCWYRMSA-N 0 3 357.480 -0.362 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1)N1CCCCC1=O ZINC001216825121 844610221 /nfs/dbraw/zinc/61/02/21/844610221.db2.gz ZFOLLGSJEBJZNY-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1)N1CCCCC1=O ZINC001216825123 844610587 /nfs/dbraw/zinc/61/05/87/844610587.db2.gz ZFOLLGSJEBJZNY-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001216825150 844610343 /nfs/dbraw/zinc/61/03/43/844610343.db2.gz ZUIWDSCYBZJJBY-IUODEOHRSA-N 0 3 371.507 -0.053 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001216826401 844611575 /nfs/dbraw/zinc/61/15/75/844611575.db2.gz DWVSRSDKGXIHPW-CKYFFXLPSA-N 0 3 370.841 -0.054 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001216826402 844611747 /nfs/dbraw/zinc/61/17/47/844611747.db2.gz DWVSRSDKGXIHPW-JFGNBEQYSA-N 0 3 370.841 -0.054 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1C ZINC001216826536 844611826 /nfs/dbraw/zinc/61/18/26/844611826.db2.gz KMARGFVOSRCOEN-DGCLKSJQSA-N 0 3 350.423 -0.755 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C ZINC001216826737 844611762 /nfs/dbraw/zinc/61/17/62/844611762.db2.gz UUBLHQALCVOTNT-ZYHUDNBSSA-N 0 3 370.841 -0.181 20 0 FBADHN C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1NCC(=O)NC(N)=O ZINC001216826837 844611469 /nfs/dbraw/zinc/61/14/69/844611469.db2.gz ZAMUUTJPCHBCNJ-MWLCHTKSSA-N 0 3 356.814 -0.442 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1C)C(=O)NC(N)=O ZINC001216828691 844611844 /nfs/dbraw/zinc/61/18/44/844611844.db2.gz KPFSFCDTEMZBKX-NQBHXWOUSA-N 0 3 350.423 -0.627 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1C)C(=O)NC(N)=O ZINC001216828692 844611727 /nfs/dbraw/zinc/61/17/27/844611727.db2.gz KPFSFCDTEMZBKX-NTZNESFSSA-N 0 3 350.423 -0.627 20 0 FBADHN CCOCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001216830045 844611773 /nfs/dbraw/zinc/61/17/73/844611773.db2.gz IXIADOVEAPPPLB-HZSPNIEDSA-N 0 3 350.481 -0.091 20 0 FBADHN CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001216830046 844611259 /nfs/dbraw/zinc/61/12/59/844611259.db2.gz IXIADOVEAPPPLB-MGPQQGTHSA-N 0 3 350.481 -0.091 20 0 FBADHN CCOCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001216830093 844611394 /nfs/dbraw/zinc/61/13/94/844611394.db2.gz KKRJQCIPKLOVIP-FRRDWIJNSA-N 0 3 358.439 -0.680 20 0 FBADHN CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001216830094 844611685 /nfs/dbraw/zinc/61/16/85/844611685.db2.gz KKRJQCIPKLOVIP-JHJVBQTASA-N 0 3 358.439 -0.680 20 0 FBADHN C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001216830266 844611206 /nfs/dbraw/zinc/61/12/06/844611206.db2.gz NHJWLVPUTOQLQZ-ZIAGYGMSSA-N 0 3 350.467 -0.079 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C)C(N)=O ZINC001216832636 844611560 /nfs/dbraw/zinc/61/15/60/844611560.db2.gz JRIZWALFDYSBPE-NQBHXWOUSA-N 0 3 351.407 -0.611 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C)C(N)=O ZINC001216832637 844611493 /nfs/dbraw/zinc/61/14/93/844611493.db2.gz JRIZWALFDYSBPE-NTZNESFSSA-N 0 3 351.407 -0.611 20 0 FBADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C ZINC001216832687 844611431 /nfs/dbraw/zinc/61/14/31/844611431.db2.gz MSAMONZGVJUMHE-DGCLKSJQSA-N 0 3 351.407 -0.739 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1NCc1cncs1 ZINC001216833071 844611802 /nfs/dbraw/zinc/61/18/02/844611802.db2.gz SCMPEHJEJXIGOV-DGCLKSJQSA-N 0 3 363.447 -0.513 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1NCc1ccns1 ZINC001216833088 844611603 /nfs/dbraw/zinc/61/16/03/844611603.db2.gz SWGMBNSQSUPZCF-DGCLKSJQSA-N 0 3 363.447 -0.513 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216833310 844611618 /nfs/dbraw/zinc/61/16/18/844611618.db2.gz YUTYXRZXQFEBLY-IUODEOHRSA-N 0 3 350.463 -0.040 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1C ZINC001216834098 844611654 /nfs/dbraw/zinc/61/16/54/844611654.db2.gz JGMBWTRMWKDISO-CHWSQXEVSA-N 0 3 355.483 -0.001 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001216834122 844611738 /nfs/dbraw/zinc/61/17/38/844611738.db2.gz JRSHUSHKFUMRFH-CHWSQXEVSA-N 0 3 355.483 -0.003 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001216834360 844611672 /nfs/dbraw/zinc/61/16/72/844611672.db2.gz OBPAHAXFYKSHHP-DGCLKSJQSA-N 0 3 353.467 -0.343 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001216834390 844611450 /nfs/dbraw/zinc/61/14/50/844611450.db2.gz PGQIZGLVUYUJBW-DGCLKSJQSA-N 0 3 353.467 -0.249 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001216834509 844611545 /nfs/dbraw/zinc/61/15/45/844611545.db2.gz PVFDKWWAGVFSAP-CHWSQXEVSA-N 0 3 353.467 -0.247 20 0 FBADHN CCCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001216835662 844611222 /nfs/dbraw/zinc/61/12/22/844611222.db2.gz ALDAAIIVVLIWOR-FRRDWIJNSA-N 0 3 353.467 -0.201 20 0 FBADHN CCCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001216835663 844611240 /nfs/dbraw/zinc/61/12/40/844611240.db2.gz ALDAAIIVVLIWOR-JHJVBQTASA-N 0 3 353.467 -0.201 20 0 FBADHN CCCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001216835844 844612477 /nfs/dbraw/zinc/61/24/77/844612477.db2.gz JZUUTYFENOMLBH-CHWSQXEVSA-N 0 3 355.483 -0.001 20 0 FBADHN CCc1nc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)cs1 ZINC001216835846 844612585 /nfs/dbraw/zinc/61/25/85/844612585.db2.gz KDJKAZQHGKQNFR-MWLCHTKSSA-N 0 3 353.448 -0.121 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216836088 844612299 /nfs/dbraw/zinc/61/22/99/844612299.db2.gz WMUYQNHBIKMPEZ-IUODEOHRSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001216836168 844612923 /nfs/dbraw/zinc/61/29/23/844612923.db2.gz ZYLHUASSZZJFGW-UKRRQHHQSA-N 0 3 350.463 -0.038 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1C ZINC001216837364 844612448 /nfs/dbraw/zinc/61/24/48/844612448.db2.gz CFBOWLYQNIGMCB-CHWSQXEVSA-N 0 3 350.423 -0.526 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(C)C)C1 ZINC001216838866 844612462 /nfs/dbraw/zinc/61/24/62/844612462.db2.gz FKQJLJOOOOZUDD-CHWSQXEVSA-N 0 3 355.483 -0.097 20 0 FBADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]2C)C1=O ZINC001216838894 844612360 /nfs/dbraw/zinc/61/23/60/844612360.db2.gz HHPDDIXIUHYQRZ-FRRDWIJNSA-N 0 3 353.467 -0.249 20 0 FBADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]2C)C1=O ZINC001216838895 844612348 /nfs/dbraw/zinc/61/23/48/844612348.db2.gz HHPDDIXIUHYQRZ-JHJVBQTASA-N 0 3 353.467 -0.249 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001216839142 844612395 /nfs/dbraw/zinc/61/23/95/844612395.db2.gz NYBNTAJQJOEZLY-NQBHXWOUSA-N 0 3 353.467 -0.202 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001216839143 844612886 /nfs/dbraw/zinc/61/28/86/844612886.db2.gz NYBNTAJQJOEZLY-NTZNESFSSA-N 0 3 353.467 -0.202 20 0 FBADHN Cc1cnn(CCC(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)c1 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ZINC001216918963 844617070 /nfs/dbraw/zinc/61/70/70/844617070.db2.gz KJWWUOTXBGKNKK-VXGBXAGGSA-N 0 3 355.439 -0.815 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001216922901 844617435 /nfs/dbraw/zinc/61/74/35/844617435.db2.gz AOABSVLMNJOGDW-FRRDWIJNSA-N 0 3 359.492 -0.276 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001216922903 844617031 /nfs/dbraw/zinc/61/70/31/844617031.db2.gz AOABSVLMNJOGDW-JHJVBQTASA-N 0 3 359.492 -0.276 20 0 FBADHN C[C@H](N[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1C)C(=O)N(C)C ZINC001216923038 844617395 /nfs/dbraw/zinc/61/73/95/844617395.db2.gz CHYSPOCIELZFSQ-FRRDWIJNSA-N 0 3 361.508 -0.030 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1C)C(=O)N(C)C ZINC001216923041 844617236 /nfs/dbraw/zinc/61/72/36/844617236.db2.gz CHYSPOCIELZFSQ-JHJVBQTASA-N 0 3 361.508 -0.030 20 0 FBADHN C[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001216923065 844617333 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CCCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001216993686 844619728 /nfs/dbraw/zinc/61/97/28/844619728.db2.gz PHKKLVJFTICNLR-MRVWCRGKSA-N 0 3 353.467 -0.071 20 0 FBADHN CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001216993725 844619550 /nfs/dbraw/zinc/61/95/50/844619550.db2.gz RIZWKBUBIWJDEH-FRRDWIJNSA-N 0 3 362.496 -0.305 20 0 FBADHN CCCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001216993726 844619541 /nfs/dbraw/zinc/61/95/41/844619541.db2.gz RIZWKBUBIWJDEH-JHJVBQTASA-N 0 3 362.496 -0.305 20 0 FBADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217001383 844619271 /nfs/dbraw/zinc/61/92/71/844619271.db2.gz SQRCSIKDMBFWIO-FRRDWIJNSA-N 0 3 350.423 -0.446 20 0 FBADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217001384 844619472 /nfs/dbraw/zinc/61/94/72/844619472.db2.gz SQRCSIKDMBFWIO-JHJVBQTASA-N 0 3 350.423 -0.446 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217001422 844619704 /nfs/dbraw/zinc/61/97/04/844619704.db2.gz UZIVTEKWWCWCQR-CHWSQXEVSA-N 0 3 350.423 -0.445 20 0 FBADHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217009780 844619335 /nfs/dbraw/zinc/61/93/35/844619335.db2.gz FKAXYZYTVMUGTQ-QLFBSQMISA-N 0 3 351.451 -0.139 20 0 FBADHN COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001217009781 844619385 /nfs/dbraw/zinc/61/93/85/844619385.db2.gz FKAXYZYTVMUGTQ-RBSFLKMASA-N 0 3 351.451 -0.139 20 0 FBADHN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1NCCS(C)(=O)=O ZINC001217010247 844619513 /nfs/dbraw/zinc/61/95/13/844619513.db2.gz MIIMLGMLXICRKF-ZWNOBZJWSA-N 0 3 354.432 -0.725 20 0 FBADHN C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001217015515 844619679 /nfs/dbraw/zinc/61/96/79/844619679.db2.gz APEABWJKBSBZAN-HZSPNIEDSA-N 0 3 354.451 -0.769 20 0 FBADHN C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001217015517 844619452 /nfs/dbraw/zinc/61/94/52/844619452.db2.gz APEABWJKBSBZAN-MGPQQGTHSA-N 0 3 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20 0 FBADHN CCOc1cnc(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)cn1 ZINC001217072283 844621696 /nfs/dbraw/zinc/62/16/96/844621696.db2.gz CZZUZEOEFUPPOZ-DGCLKSJQSA-N 0 3 356.448 -0.030 20 0 FBADHN C[C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1NCC(=O)NC(N)=O ZINC001217072308 844621400 /nfs/dbraw/zinc/62/14/00/844621400.db2.gz DOLOZFKQTWTYFG-ZWNOBZJWSA-N 0 3 351.382 -0.215 20 0 FBADHN CCOc1cnc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)cn1 ZINC001217072441 844621851 /nfs/dbraw/zinc/62/18/51/844621851.db2.gz IVWQYLGSXDOSPH-MWLCHTKSSA-N 0 3 350.379 -0.880 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)nn1C ZINC001217072729 844621734 /nfs/dbraw/zinc/62/17/34/844621734.db2.gz OAXCUSZEPRTPSJ-GBIKHYSHSA-N 0 3 350.423 -0.384 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)nn1C ZINC001217072730 844621667 /nfs/dbraw/zinc/62/16/67/844621667.db2.gz OAXCUSZEPRTPSJ-GIPNMCIBSA-N 0 3 350.423 -0.384 20 0 FBADHN CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)n1 ZINC001217072912 844621181 /nfs/dbraw/zinc/62/11/81/844621181.db2.gz SESQLBWYSNVUDN-MWLCHTKSSA-N 0 3 351.411 -0.888 20 0 FBADHN C[C@H](NC(=O)C1CCC1)C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001217077014 844621833 /nfs/dbraw/zinc/62/18/33/844621833.db2.gz BUIHAGYHIMPBNE-MBNYWOFBSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H](NC(=O)C1CCC1)C(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001217077015 844621683 /nfs/dbraw/zinc/62/16/83/844621683.db2.gz BUIHAGYHIMPBNE-YRGRVCCFSA-N 0 3 359.492 -0.228 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1C ZINC001217077130 844621650 /nfs/dbraw/zinc/62/16/50/844621650.db2.gz GVWUPWIPGMODIE-NXEZZACHSA-N 0 3 369.447 -0.205 20 0 FBADHN COCc1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)s1 ZINC001217077208 844621339 /nfs/dbraw/zinc/62/13/39/844621339.db2.gz JPXWLMGKGFIBER-RKDXNWHRSA-N 0 3 355.420 -0.466 20 0 FBADHN C[C@@H](NC(=O)C1CCC1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001217077596 844622340 /nfs/dbraw/zinc/62/23/40/844622340.db2.gz 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C[C@H](O)CCCN1C[C@H]2OCCN(C(=O)CCN3CCOCC3)[C@H]2C1 ZINC001218789588 844736606 /nfs/dbraw/zinc/73/66/06/844736606.db2.gz NLZPHVMTIQATHJ-YESZJQIVSA-N 0 3 355.479 -0.219 20 0 FBADHN O=C(CCCCN1CCOCC1)N1CCO[C@@H]2CN(CCCO)C[C@@H]21 ZINC001218789604 844736460 /nfs/dbraw/zinc/73/64/60/844736460.db2.gz NXYZHGNGXNCTSD-DLBZAZTESA-N 0 3 355.479 -0.217 20 0 FBADHN C[C@@H](O)CN1C[C@H]2OCCN(C(=O)CCCCN3CCOCC3)[C@H]2C1 ZINC001218789974 844736976 /nfs/dbraw/zinc/73/69/76/844736976.db2.gz ZIPBPIXRJUYATE-IXDOHACOSA-N 0 3 355.479 -0.219 20 0 FBADHN C[C@H](O)CN1C[C@H]2OCCN(C(=O)CCCCN3CCOCC3)[C@H]2C1 ZINC001218789975 844736569 /nfs/dbraw/zinc/73/65/69/844736569.db2.gz ZIPBPIXRJUYATE-YESZJQIVSA-N 0 3 355.479 -0.219 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cncc(OC(F)(F)F)c1 ZINC001218794594 844737889 /nfs/dbraw/zinc/73/78/89/844737889.db2.gz RGVHMJIYWVLGJR-RCOVLWMOSA-N 0 3 363.296 -0.374 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 ZINC001218796719 844737989 /nfs/dbraw/zinc/73/79/89/844737989.db2.gz DTJJRIDOAAMSTF-JKSUJKDBSA-N 0 3 352.479 -0.138 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001218797489 844737949 /nfs/dbraw/zinc/73/79/49/844737949.db2.gz SHNUAFSGTAFLCV-JKSUJKDBSA-N 0 3 352.479 -0.139 20 0 FBADHN C[S@](=O)c1nc(Cl)c(Br)c(NC(=O)[C@@H](N)CN)n1 ZINC001218800511 844737737 /nfs/dbraw/zinc/73/77/37/844737737.db2.gz FIFLKBHZDZAITO-KGFYNXMDSA-N 0 3 356.633 -0.146 20 0 FBADHN C[S@@](=O)c1nc(Cl)c(Br)c(NC(=O)[C@@H](N)CN)n1 ZINC001218800513 844737348 /nfs/dbraw/zinc/73/73/48/844737348.db2.gz FIFLKBHZDZAITO-VITWCQTJSA-N 0 3 356.633 -0.146 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 ZINC001218802643 844737330 /nfs/dbraw/zinc/73/73/30/844737330.db2.gz AFIPKAKQHRTMSY-JKSUJKDBSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 ZINC001218803762 844738672 /nfs/dbraw/zinc/73/86/72/844738672.db2.gz PCQAXRNFMBAQAW-JKSUJKDBSA-N 0 3 352.479 -0.138 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]21 ZINC001218813544 844738456 /nfs/dbraw/zinc/73/84/56/844738456.db2.gz AFWZOCKLNRLBFC-HZSPNIEDSA-N 0 3 351.455 -0.476 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]21 ZINC001218813545 844738995 /nfs/dbraw/zinc/73/89/95/844738995.db2.gz AFWZOCKLNRLBFC-MELADBBJSA-N 0 3 351.455 -0.476 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218813999 844738959 /nfs/dbraw/zinc/73/89/59/844738959.db2.gz KTKJCHJNQJGYPB-HZSPNIEDSA-N 0 3 352.435 -0.955 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218814000 844738901 /nfs/dbraw/zinc/73/89/01/844738901.db2.gz KTKJCHJNQJGYPB-MELADBBJSA-N 0 3 352.435 -0.955 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 ZINC001218819373 844738543 /nfs/dbraw/zinc/73/85/43/844738543.db2.gz AVCUXGGOTHGJBR-JKSUJKDBSA-N 0 3 352.479 -0.234 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001218819416 844740124 /nfs/dbraw/zinc/74/01/24/844740124.db2.gz CNDZNWLYUNTEGV-HRCADAONSA-N 0 3 352.479 -0.139 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001218819417 844739850 /nfs/dbraw/zinc/73/98/50/844739850.db2.gz CNDZNWLYUNTEGV-OWCLPIDISA-N 0 3 352.479 -0.139 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 ZINC001218819442 844739887 /nfs/dbraw/zinc/73/98/87/844739887.db2.gz DFPRJKQFHBHYTP-LSDHHAIUSA-N 0 3 353.467 -0.735 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001218819455 844739402 /nfs/dbraw/zinc/73/94/02/844739402.db2.gz DVUBODUUFJNHBG-CWRNSKLLSA-N 0 3 352.479 -0.093 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN([C@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001218819456 844739827 /nfs/dbraw/zinc/73/98/27/844739827.db2.gz DVUBODUUFJNHBG-VNQPRFMTSA-N 0 3 352.479 -0.093 20 0 FBADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]21 ZINC001218819578 844740033 /nfs/dbraw/zinc/74/00/33/844740033.db2.gz KSQMOGNIJSANGI-LSDHHAIUSA-N 0 3 361.508 -0.326 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](N)CN)cc2)C[C@@H](C)O1 ZINC001218823792 844740269 /nfs/dbraw/zinc/74/02/69/844740269.db2.gz VHJONAUDWNFFCE-GYSYKLTISA-N 0 3 356.448 -0.291 20 0 FBADHN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](N)CN)cc2)C[C@H](C)O1 ZINC001218823793 844739743 /nfs/dbraw/zinc/73/97/43/844739743.db2.gz VHJONAUDWNFFCE-MJVIPROJSA-N 0 3 356.448 -0.291 20 0 FBADHN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](N)CN)cc2)C[C@H](C)O1 ZINC001218823794 844740243 /nfs/dbraw/zinc/74/02/43/844740243.db2.gz VHJONAUDWNFFCE-WDMOLILDSA-N 0 3 356.448 -0.291 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc2[nH]nc(Cl)c2c1 ZINC001218824990 844740078 /nfs/dbraw/zinc/74/00/78/844740078.db2.gz SAEGSTGOCZAOJR-WKEGUHRASA-N 0 3 352.782 -0.138 20 0 FBADHN CC1CCN(CC(=O)N2CCO[C@@H]3CN(CCOCCO)C[C@@H]32)CC1 ZINC001218826092 844739521 /nfs/dbraw/zinc/73/95/21/844739521.db2.gz BVNSXMORUYXQEJ-DLBZAZTESA-N 0 3 355.479 -0.361 20 0 FBADHN COC[C@H](O)CN1C[C@H]2OCCN(C(=O)CN3CCC(C)CC3)[C@H]2C1 ZINC001218826130 844740003 /nfs/dbraw/zinc/74/00/03/844740003.db2.gz DOGULUUUXSOEDW-IXDOHACOSA-N 0 3 355.479 -0.363 20 0 FBADHN COC[C@@H](O)CN1C[C@H]2OCCN(C(=O)CN3CCC(C)CC3)[C@H]2C1 ZINC001218826131 844739967 /nfs/dbraw/zinc/73/99/67/844739967.db2.gz DOGULUUUXSOEDW-YESZJQIVSA-N 0 3 355.479 -0.363 20 0 FBADHN COCCCCCN1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001218826321 844739604 /nfs/dbraw/zinc/73/96/04/844739604.db2.gz OUSNSSOTCNAXSL-LSDHHAIUSA-N 0 3 352.439 -0.209 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(Br)ccc1O ZINC001218834155 844739373 /nfs/dbraw/zinc/73/93/73/844739373.db2.gz QNHFAPPAQBOCOF-RCOVLWMOSA-N 0 3 373.207 -0.199 20 0 FBADHN NC(=O)c1cc(Br)ccc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218843568 844741200 /nfs/dbraw/zinc/74/12/00/844741200.db2.gz JINJLVAQRQPKDD-LLVKDONJSA-N 0 3 369.219 -0.183 20 0 FBADHN NC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218843577 844741390 /nfs/dbraw/zinc/74/13/90/844741390.db2.gz JINJLVAQRQPKDD-NSHDSACASA-N 0 3 369.219 -0.183 20 0 FBADHN COCCCN1C[C@H]2OCCN(C(=O)CCn3cnccc3=O)[C@H]2C1 ZINC001218845106 844740745 /nfs/dbraw/zinc/74/07/45/844740745.db2.gz VBIOZZIZLGINFD-LSDHHAIUSA-N 0 3 350.419 -0.419 20 0 FBADHN CO[C@]1(CNC(=O)Nc2ccnn2CCN(C)C)CCS(=O)(=O)C1 ZINC001218849263 844741531 /nfs/dbraw/zinc/74/15/31/844741531.db2.gz MBJVJNFZUNSKGN-AWEZNQCLSA-N 0 3 359.452 -0.230 20 0 FBADHN CO[C@@]1(CNC(=O)Nc2ccnn2CCN(C)C)CCS(=O)(=O)C1 ZINC001218849269 844741244 /nfs/dbraw/zinc/74/12/44/844741244.db2.gz MBJVJNFZUNSKGN-CQSZACIVSA-N 0 3 359.452 -0.230 20 0 FBADHN CNS(=O)(=O)C1CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC001218849810 844741032 /nfs/dbraw/zinc/74/10/32/844741032.db2.gz UCMGCKCDDGTLAR-UHFFFAOYSA-N 0 3 358.468 -0.010 20 0 FBADHN Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]2CNCCN2)c2ccccn2)cc1 ZINC001218865372 844740974 /nfs/dbraw/zinc/74/09/74/844740974.db2.gz VJPHCQSNWAAGSG-AWEZNQCLSA-N 0 3 361.427 -0.053 20 0 FBADHN Nc1ccc(S(=O)(=O)N(C(=O)[C@H]2CNCCN2)c2ccccn2)cc1 ZINC001218865374 844740946 /nfs/dbraw/zinc/74/09/46/844740946.db2.gz VJPHCQSNWAAGSG-CQSZACIVSA-N 0 3 361.427 -0.053 20 0 FBADHN O=C(NCC1CC1)C(=O)N1CCO[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]21 ZINC001218867152 844742558 /nfs/dbraw/zinc/74/25/58/844742558.db2.gz WKIYSGFWAKZIIP-HRCADAONSA-N 0 3 351.447 -0.149 20 0 FBADHN O=C(NCC1CC1)C(=O)N1CCO[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]21 ZINC001218867153 844742227 /nfs/dbraw/zinc/74/22/27/844742227.db2.gz WKIYSGFWAKZIIP-OWCLPIDISA-N 0 3 351.447 -0.149 20 0 FBADHN O=C(NCC1CC1)C(=O)N1CCO[C@@H]2CN(CC3CCOCC3)C[C@@H]21 ZINC001218872154 844742618 /nfs/dbraw/zinc/74/26/18/844742618.db2.gz HFLHNOBDYAYDMF-JKSUJKDBSA-N 0 3 351.447 -0.149 20 0 FBADHN C[S@@](=O)CC[C@H](N)C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218873104 844742641 /nfs/dbraw/zinc/74/26/41/844742641.db2.gz FMBPUMHPYDQYPH-IVCQMTBJSA-N 0 3 368.503 -0.165 20 0 FBADHN C[S@](=O)CC[C@H](N)C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218873105 844742764 /nfs/dbraw/zinc/74/27/64/844742764.db2.gz FMBPUMHPYDQYPH-LMKMVOKYSA-N 0 3 368.503 -0.165 20 0 FBADHN CC(=O)Nc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc1Cl ZINC001218873446 844742243 /nfs/dbraw/zinc/74/22/43/844742243.db2.gz KRYMLYLHLGKCCB-MADCSZMMSA-N 0 3 369.809 -0.056 20 0 FBADHN CC(=O)OC[C@H](N)C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218874257 844742446 /nfs/dbraw/zinc/74/24/46/844742446.db2.gz RMRQURGSSUHCSQ-INIZCTEOSA-N 0 3 350.419 -0.370 20 0 FBADHN NC1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC1 ZINC001218878306 844742727 /nfs/dbraw/zinc/74/27/27/844742727.db2.gz BUFUHWJZBDAMIP-UHFFFAOYSA-N 0 3 368.824 -0.935 20 0 FBADHN COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218883112 844743993 /nfs/dbraw/zinc/74/39/93/844743993.db2.gz HXWYGIGEZPSGHE-LLVKDONJSA-N 0 3 351.359 -0.544 20 0 FBADHN COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218883113 844743423 /nfs/dbraw/zinc/74/34/23/844743423.db2.gz HXWYGIGEZPSGHE-NSHDSACASA-N 0 3 351.359 -0.544 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218886676 844743356 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ZINC001219521249 844896850 /nfs/dbraw/zinc/89/68/50/844896850.db2.gz BRCPKPRRVIDNEY-CFVMTHIKSA-N 0 3 356.467 -0.199 20 0 FBADHN Cn1nccc1CC(=O)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219524714 844898334 /nfs/dbraw/zinc/89/83/34/844898334.db2.gz DXGBIPADTRVPHU-OAGGEKHMSA-N 0 3 352.435 -0.681 20 0 FBADHN Cn1nccc1CC(=O)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219524715 844898140 /nfs/dbraw/zinc/89/81/40/844898140.db2.gz DXGBIPADTRVPHU-XHSDSOJGSA-N 0 3 352.435 -0.681 20 0 FBADHN O=C(CCn1ccnn1)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219524835 844898959 /nfs/dbraw/zinc/89/89/59/844898959.db2.gz HDWNKPQZKSKJLN-OAGGEKHMSA-N 0 3 351.451 -0.229 20 0 FBADHN O=C(CCn1ccnn1)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219524836 844899088 /nfs/dbraw/zinc/89/90/88/844899088.db2.gz HDWNKPQZKSKJLN-PMPSAXMXSA-N 0 3 351.451 -0.229 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001219546851 844903806 /nfs/dbraw/zinc/90/38/06/844903806.db2.gz KMCGGUNPJXBNKN-ILXRZTDVSA-N 0 3 355.435 -0.147 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001219546852 844904934 /nfs/dbraw/zinc/90/49/34/844904934.db2.gz KMCGGUNPJXBNKN-KFWWJZLASA-N 0 3 355.435 -0.147 20 0 FBADHN O=C(CCc1ncc[nH]1)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219552958 844906599 /nfs/dbraw/zinc/90/65/99/844906599.db2.gz OLEZPRYQUQVZBQ-KFWWJZLASA-N 0 3 352.435 -0.301 20 0 FBADHN O=C(CCc1ncc[nH]1)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219552959 844905985 /nfs/dbraw/zinc/90/59/85/844905985.db2.gz OLEZPRYQUQVZBQ-ZNMIVQPWSA-N 0 3 352.435 -0.301 20 0 FBADHN COc1ccc2c(C[C@H](N)C(=O)N[C@H](CO)[C@@H](C)O)cc(=O)oc2c1 ZINC001219558336 844908987 /nfs/dbraw/zinc/90/89/87/844908987.db2.gz NSBBTDSGROAMMR-BIGNPOOSSA-N 0 3 350.371 -0.471 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001219561644 844908497 /nfs/dbraw/zinc/90/84/97/844908497.db2.gz BPPYBOWXJIMHLO-MNOVXSKESA-N 0 3 370.372 -0.564 20 0 FBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001219563909 844910990 /nfs/dbraw/zinc/91/09/90/844910990.db2.gz NAFQPAIRTWUMCP-KBPBESRZSA-N 0 3 350.419 -0.606 20 0 FBADHN NC(=O)NCCC[C@@H](N)C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219565404 844912225 /nfs/dbraw/zinc/91/22/25/844912225.db2.gz GFJMOVOKKZUPII-LLVKDONJSA-N 0 3 369.857 -0.009 20 0 FBADHN O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@H]1COC2(CNC2)CN1 ZINC001219565433 844912073 /nfs/dbraw/zinc/91/20/73/844912073.db2.gz HLVKHEGXERAUFI-GFCCVEGCSA-N 0 3 366.853 -0.455 20 0 FBADHN O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1COC2(CNC2)CN1 ZINC001219565434 844912271 /nfs/dbraw/zinc/91/22/71/844912271.db2.gz HLVKHEGXERAUFI-LBPRGKRZSA-N 0 3 366.853 -0.455 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1c(F)cccc1Cl ZINC001219569395 844913137 /nfs/dbraw/zinc/91/31/37/844913137.db2.gz OBEDFYSPOSWLDG-UFBFGSQYSA-N 0 3 358.801 -0.155 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O ZINC001219570959 844914075 /nfs/dbraw/zinc/91/40/75/844914075.db2.gz DKLPUOVNMWPFCI-CABCVRRESA-N 0 3 356.467 -0.326 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@H](OC)C2CCCC2)C[C@@H]1O ZINC001219571088 844914140 /nfs/dbraw/zinc/91/41/40/844914140.db2.gz JANNAJHSYODXBE-ILXRZTDVSA-N 0 3 356.467 -0.328 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@@H](OC)C2CCCC2)C[C@@H]1O ZINC001219571089 844914095 /nfs/dbraw/zinc/91/40/95/844914095.db2.gz JANNAJHSYODXBE-QLFBSQMISA-N 0 3 356.467 -0.328 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219571245 844914251 /nfs/dbraw/zinc/91/42/51/844914251.db2.gz LDBPVTZNXBHLQX-ILXRZTDVSA-N 0 3 356.467 -0.592 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219571246 844914277 /nfs/dbraw/zinc/91/42/77/844914277.db2.gz LDBPVTZNXBHLQX-KFWWJZLASA-N 0 3 356.467 -0.592 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@@H]2O)n[nH]1 ZINC001219585579 844917406 /nfs/dbraw/zinc/91/74/06/844917406.db2.gz NGQSTTRHXIADBQ-MCIONIFRSA-N 0 3 353.423 -0.987 20 0 FBADHN Cc1nc(CC(=O)N[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@@H]2O)n[nH]1 ZINC001219585580 844917831 /nfs/dbraw/zinc/91/78/31/844917831.db2.gz NGQSTTRHXIADBQ-MJBXVCDLSA-N 0 3 353.423 -0.987 20 0 FBADHN Cc1nnc(CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@@H]2O)[nH]1 ZINC001219585795 844918617 /nfs/dbraw/zinc/91/86/17/844918617.db2.gz UNPDDJACDCKSKR-MNOVXSKESA-N 0 3 365.356 -0.214 20 0 FBADHN Cc1nnc(CC(=O)N[C@@H]2CN(CCCO[C@@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001219585936 844918799 /nfs/dbraw/zinc/91/87/99/844918799.db2.gz YNSKRRQMVGLBOD-MCIONIFRSA-N 0 3 353.423 -0.987 20 0 FBADHN Cc1nnc(CC(=O)N[C@@H]2CN(CCCO[C@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001219585937 844919341 /nfs/dbraw/zinc/91/93/41/844919341.db2.gz YNSKRRQMVGLBOD-MJBXVCDLSA-N 0 3 353.423 -0.987 20 0 FBADHN O=C(CC1(O)CCC1)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001219594586 844921616 /nfs/dbraw/zinc/92/16/16/844921616.db2.gz QVEUAFVZOAZPAI-CABCVRRESA-N 0 3 351.451 -0.085 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219598894 844922811 /nfs/dbraw/zinc/92/28/11/844922811.db2.gz FXMFVRDWXQDPBA-OAGGEKHMSA-N 0 3 354.495 -0.063 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219598895 844922258 /nfs/dbraw/zinc/92/22/58/844922258.db2.gz FXMFVRDWXQDPBA-PMPSAXMXSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O ZINC001219599588 844922720 /nfs/dbraw/zinc/92/27/20/844922720.db2.gz QJHWFAAVPSAAMC-OAGGEKHMSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O ZINC001219599589 844923642 /nfs/dbraw/zinc/92/36/42/844923642.db2.gz QJHWFAAVPSAAMC-PMPSAXMXSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219599591 844923580 /nfs/dbraw/zinc/92/35/80/844923580.db2.gz QNECXULOMWCSCE-OAGGEKHMSA-N 0 3 354.495 -0.113 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219599592 844924025 /nfs/dbraw/zinc/92/40/25/844924025.db2.gz QNECXULOMWCSCE-PMPSAXMXSA-N 0 3 354.495 -0.113 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219599639 844923565 /nfs/dbraw/zinc/92/35/65/844923565.db2.gz SUPRTOZMFCRHKQ-OAGGEKHMSA-N 0 3 354.495 -0.111 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219599640 844924239 /nfs/dbraw/zinc/92/42/39/844924239.db2.gz SUPRTOZMFCRHKQ-PMPSAXMXSA-N 0 3 354.495 -0.111 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219599975 844923854 /nfs/dbraw/zinc/92/38/54/844923854.db2.gz YOWAHDVENBSQBR-ILXRZTDVSA-N 0 3 354.495 -0.065 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219599976 844923872 /nfs/dbraw/zinc/92/38/72/844923872.db2.gz YOWAHDVENBSQBR-KFWWJZLASA-N 0 3 354.495 -0.065 20 0 FBADHN COCC1(CC(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001219603330 844924648 /nfs/dbraw/zinc/92/46/48/844924648.db2.gz XRIZDXHQBFVLOZ-KFWWJZLASA-N 0 3 353.463 -0.119 20 0 FBADHN COCC1(CC(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001219603331 844924841 /nfs/dbraw/zinc/92/48/41/844924841.db2.gz XRIZDXHQBFVLOZ-ZNMIVQPWSA-N 0 3 353.463 -0.119 20 0 FBADHN CCCCCCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001219609261 844927314 /nfs/dbraw/zinc/92/73/14/844927314.db2.gz JHIZDDDNYJVPFF-KGLIPLIRSA-N 0 3 364.512 -0.534 20 0 FBADHN CCCCCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001219609524 844927498 /nfs/dbraw/zinc/92/74/98/844927498.db2.gz VZGVYRCKOIDVOD-OLZOCXBDSA-N 0 3 350.485 -0.924 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219611895 844927583 /nfs/dbraw/zinc/92/75/83/844927583.db2.gz OWHQKSMLCNTMLG-KFWWJZLASA-N 0 3 354.451 -0.620 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001219611896 844927484 /nfs/dbraw/zinc/92/74/84/844927484.db2.gz OWHQKSMLCNTMLG-ZNMIVQPWSA-N 0 3 354.451 -0.620 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001219612008 844928658 /nfs/dbraw/zinc/92/86/58/844928658.db2.gz VBPDMEFRLAADKF-KFWWJZLASA-N 0 3 354.451 -0.478 20 0 FBADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219612009 844928316 /nfs/dbraw/zinc/92/83/16/844928316.db2.gz VBPDMEFRLAADKF-ZNMIVQPWSA-N 0 3 354.451 -0.478 20 0 FBADHN COCCCCCN1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 ZINC001219612099 844928356 /nfs/dbraw/zinc/92/83/56/844928356.db2.gz YPHSZASUPLOKHN-CABCVRRESA-N 0 3 356.467 -0.230 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@@H]1O ZINC001219613250 844928380 /nfs/dbraw/zinc/92/83/80/844928380.db2.gz CAVCSMFLYZFBQG-CVEARBPZSA-N 0 3 369.487 -0.096 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001219613258 844928421 /nfs/dbraw/zinc/92/84/21/844928421.db2.gz CFTPNISKYCZAEB-CABCVRRESA-N 0 3 355.460 -0.670 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O ZINC001219613260 844928538 /nfs/dbraw/zinc/92/85/38/844928538.db2.gz CHGDRNCVKBWIJW-ILXRZTDVSA-N 0 3 361.508 -0.545 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O ZINC001219613269 844928850 /nfs/dbraw/zinc/92/88/50/844928850.db2.gz CHGDRNCVKBWIJW-KFWWJZLASA-N 0 3 361.508 -0.545 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219613516 844928218 /nfs/dbraw/zinc/92/82/18/844928218.db2.gz JYMKPMQIGUNGMV-OAGGEKHMSA-N 0 3 354.495 -0.207 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001219613517 844928001 /nfs/dbraw/zinc/92/80/01/844928001.db2.gz JYMKPMQIGUNGMV-PMPSAXMXSA-N 0 3 354.495 -0.207 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001219613747 844928048 /nfs/dbraw/zinc/92/80/48/844928048.db2.gz PXLBIKMWWVLJPW-OAGGEKHMSA-N 0 3 352.479 -0.453 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001219613748 844928149 /nfs/dbraw/zinc/92/81/49/844928149.db2.gz PXLBIKMWWVLJPW-PMPSAXMXSA-N 0 3 352.479 -0.453 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCc2ccc(C)cc2)C[C@@H]1O ZINC001219613978 844929954 /nfs/dbraw/zinc/92/99/54/844929954.db2.gz WRCPFPHUPSPMGZ-CVEARBPZSA-N 0 3 369.487 -0.362 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001219615298 844929335 /nfs/dbraw/zinc/92/93/35/844929335.db2.gz LHDGPGRYZDAGTJ-MCIONIFRSA-N 0 3 363.480 -0.954 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219615299 844929518 /nfs/dbraw/zinc/92/95/18/844929518.db2.gz LHDGPGRYZDAGTJ-MJBXVCDLSA-N 0 3 363.480 -0.954 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001219615308 844929556 /nfs/dbraw/zinc/92/95/56/844929556.db2.gz LWWYQWASMBCOPA-CABCVRRESA-N 0 3 359.492 -0.023 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC001219615775 844929597 /nfs/dbraw/zinc/92/95/97/844929597.db2.gz ZMMSOXHVGAIVOL-OAGGEKHMSA-N 0 3 367.471 -0.226 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@@H]1O ZINC001219615776 844929674 /nfs/dbraw/zinc/92/96/74/844929674.db2.gz ZMMSOXHVGAIVOL-PMPSAXMXSA-N 0 3 367.471 -0.226 20 0 FBADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001219616031 844931072 /nfs/dbraw/zinc/93/10/72/844931072.db2.gz MQYMAFBJNPFENM-KYHPRHEASA-N 0 3 351.422 -0.200 20 0 FBADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001219616032 844931140 /nfs/dbraw/zinc/93/11/40/844931140.db2.gz MQYMAFBJNPFENM-LISAXSMJSA-N 0 3 351.422 -0.200 20 0 FBADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1[C@H](O)CCN1Cc1ccccc1 ZINC001219616033 844930732 /nfs/dbraw/zinc/93/07/32/844930732.db2.gz MQYMAFBJNPFENM-MUQADHOPSA-N 0 3 351.422 -0.200 20 0 FBADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 ZINC001219616034 844930839 /nfs/dbraw/zinc/93/08/39/844930839.db2.gz MQYMAFBJNPFENM-NBOOPKSLSA-N 0 3 351.422 -0.200 20 0 FBADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001219616672 844931155 /nfs/dbraw/zinc/93/11/55/844931155.db2.gz FGVMWNBTEMROLT-OLZOCXBDSA-N 0 3 368.475 -0.974 20 0 FBADHN 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FBADHN C[C@@H](CC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O)NC(N)=O ZINC001219626014 844936755 /nfs/dbraw/zinc/93/67/55/844936755.db2.gz ATTFAXSBZNOPIO-CFVMTHIKSA-N 0 3 356.467 -0.199 20 0 FBADHN C[C@H](CC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O)NC(N)=O ZINC001219626015 844936138 /nfs/dbraw/zinc/93/61/38/844936138.db2.gz ATTFAXSBZNOPIO-YUELXQCFSA-N 0 3 356.467 -0.199 20 0 FBADHN C[C@@H](CC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O)NC(N)=O ZINC001219628373 844937224 /nfs/dbraw/zinc/93/72/24/844937224.db2.gz JDTUSIDXIDQJGG-AXFHLTTASA-N 0 3 370.372 -0.436 20 0 FBADHN C[C@H](CC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O)NC(N)=O ZINC001219628374 844937267 /nfs/dbraw/zinc/93/72/67/844937267.db2.gz JDTUSIDXIDQJGG-MXWKQRLJSA-N 0 3 370.372 -0.436 20 0 FBADHN CC(C)NC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](O)C1 ZINC001219634577 844938201 /nfs/dbraw/zinc/93/82/01/844938201.db2.gz ATIDOQFXQZVFGQ-CABCVRRESA-N 0 3 354.495 -0.063 20 0 FBADHN CCCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](O)C1 ZINC001219634640 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352.435 -0.386 20 0 FBADHN O=C(Cn1ncnn1)N[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O ZINC001219638370 844941115 /nfs/dbraw/zinc/94/11/15/844941115.db2.gz UWEHUXWOTBYVCP-CABCVRRESA-N 0 3 352.439 -0.569 20 0 FBADHN O=C(CCOCC(F)F)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219648747 844942871 /nfs/dbraw/zinc/94/28/71/844942871.db2.gz XLGOEAKGGFUEJI-UPJWGTAASA-N 0 3 363.405 -0.264 20 0 FBADHN O=C(CCOCC(F)F)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219648748 844943243 /nfs/dbraw/zinc/94/32/43/844943243.db2.gz XLGOEAKGGFUEJI-XQQFMLRXSA-N 0 3 363.405 -0.264 20 0 FBADHN CC(C)(C)CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001219658901 844945776 /nfs/dbraw/zinc/94/57/76/844945776.db2.gz VHBJNHJZTXUJDN-NEPJUHHUSA-N 0 3 352.439 -0.635 20 0 FBADHN CCC/C=C\CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001219659031 844945472 /nfs/dbraw/zinc/94/54/72/844945472.db2.gz WBNYPWSOZUHRGB-CIUCYMIDSA-N 0 3 350.423 -0.715 20 0 FBADHN CCC/C=C/CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001219659032 844945246 /nfs/dbraw/zinc/94/52/46/844945246.db2.gz WBNYPWSOZUHRGB-DRHCNIFCSA-N 0 3 350.423 -0.715 20 0 FBADHN CCc1nccn1[C@H](C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219665294 844946778 /nfs/dbraw/zinc/94/67/78/844946778.db2.gz FBOJXHYEXHNHAR-KFWWJZLASA-N 0 3 354.451 -0.433 20 0 FBADHN CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219665295 844946869 /nfs/dbraw/zinc/94/68/69/844946869.db2.gz FBOJXHYEXHNHAR-ZNMIVQPWSA-N 0 3 354.451 -0.433 20 0 FBADHN COC(=O)c1csc(CNC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)n1 ZINC001219669484 844948298 /nfs/dbraw/zinc/94/82/98/844948298.db2.gz ZXHRADZQEJRBLW-WPRPVWTQSA-N 0 3 370.431 -0.143 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001219670016 844949518 /nfs/dbraw/zinc/94/95/18/844949518.db2.gz LSJNGFUIUDBOHP-UPJWGTAASA-N 0 3 353.460 -0.385 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001219670017 844949264 /nfs/dbraw/zinc/94/92/64/844949264.db2.gz 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ZINC001219804109 844999725 /nfs/dbraw/zinc/99/97/25/844999725.db2.gz MZPDODZKPPUMLU-HLLBOEOZSA-N 0 3 352.479 -0.644 20 0 FBADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1O)C1CC1 ZINC001219804110 845000356 /nfs/dbraw/zinc/00/03/56/845000356.db2.gz MZPDODZKPPUMLU-VYDXJSESSA-N 0 3 352.479 -0.644 20 0 FBADHN CCCn1ncnc1CN1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219804133 844999907 /nfs/dbraw/zinc/99/99/07/844999907.db2.gz NOAQIKRIIIUFME-IJEWVQPXSA-N 0 3 350.467 -0.310 20 0 FBADHN CCCn1ncnc1CN1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219804134 844999854 /nfs/dbraw/zinc/99/98/54/844999854.db2.gz NOAQIKRIIIUFME-YCPHGPKFSA-N 0 3 350.467 -0.310 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219804233 844999839 /nfs/dbraw/zinc/99/98/39/844999839.db2.gz QGIVJCDKOZIGFZ-ILXRZTDVSA-N 0 3 368.503 -0.280 20 0 FBADHN Cc1csc(=O)n1CCN1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219804234 844999672 /nfs/dbraw/zinc/99/96/72/844999672.db2.gz QGIVJCDKOZIGFZ-QLFBSQMISA-N 0 3 368.503 -0.280 20 0 FBADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1O)C1CC1 ZINC001219804327 844999959 /nfs/dbraw/zinc/99/99/59/844999959.db2.gz SJAJCMHJFPVIQY-HLLBOEOZSA-N 0 3 352.479 -0.500 20 0 FBADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1O)C1CC1 ZINC001219804328 845000816 /nfs/dbraw/zinc/00/08/16/845000816.db2.gz SJAJCMHJFPVIQY-VYDXJSESSA-N 0 3 352.479 -0.500 20 0 FBADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@@H]1O)C1CC1 ZINC001219804379 844999767 /nfs/dbraw/zinc/99/97/67/844999767.db2.gz UKRYVKWXNRUTJP-IJEWVQPXSA-N 0 3 354.495 -0.350 20 0 FBADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@@H]1O)C1CC1 ZINC001219804380 845000697 /nfs/dbraw/zinc/00/06/97/845000697.db2.gz UKRYVKWXNRUTJP-YCPHGPKFSA-N 0 3 354.495 -0.350 20 0 FBADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@@H]1O)C1CC1 ZINC001219804397 845000253 /nfs/dbraw/zinc/00/02/53/845000253.db2.gz 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/nfs/dbraw/zinc/02/78/65/845027865.db2.gz PAKANWQUJSISQO-ZNMIVQPWSA-N 0 3 352.435 -0.475 20 0 FBADHN COCCCCCN1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219857003 845027934 /nfs/dbraw/zinc/02/79/34/845027934.db2.gz RHNKLAGYKMTDMD-CABCVRRESA-N 0 3 354.451 -0.085 20 0 FBADHN COCCCCCN1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001219860820 845030338 /nfs/dbraw/zinc/03/03/38/845030338.db2.gz VEYQHCCFZAGTBP-KGLIPLIRSA-N 0 3 352.435 -0.022 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219864200 845031811 /nfs/dbraw/zinc/03/18/11/845031811.db2.gz KBKBPQQIFACKQO-BMFZPTHFSA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001219864202 845031439 /nfs/dbraw/zinc/03/14/39/845031439.db2.gz KBKBPQQIFACKQO-IMJJTQAJSA-N 0 3 352.435 -0.475 20 0 FBADHN COCCCCCN1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864228 845031846 /nfs/dbraw/zinc/03/18/46/845031846.db2.gz KVHGYYYTRAQNDA-CVEARBPZSA-N 0 3 354.451 -0.085 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001219864323 845031347 /nfs/dbraw/zinc/03/13/47/845031347.db2.gz NILXFMZYQBSSHJ-OAGGEKHMSA-N 0 3 352.435 -0.333 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219864324 845031875 /nfs/dbraw/zinc/03/18/75/845031875.db2.gz NILXFMZYQBSSHJ-XHSDSOJGSA-N 0 3 352.435 -0.333 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1O ZINC001219867320 845032605 /nfs/dbraw/zinc/03/26/05/845032605.db2.gz MGXQRLWCNGUVNF-BMFZPTHFSA-N 0 3 352.435 -0.475 20 0 FBADHN Cn1nccc1COCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1O ZINC001219867322 845033286 /nfs/dbraw/zinc/03/32/86/845033286.db2.gz MGXQRLWCNGUVNF-IMJJTQAJSA-N 0 3 352.435 -0.475 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@@H]1O)N(C)C ZINC001219868853 845033373 /nfs/dbraw/zinc/03/33/73/845033373.db2.gz BPTHPCIOXWPQHI-UPJWGTAASA-N 0 3 369.491 -0.393 20 0 FBADHN CCOc1nnc(CN2C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C2)s1 ZINC001219868886 845032823 /nfs/dbraw/zinc/03/28/23/845032823.db2.gz CNWUWMNCLWUAEB-UTUOFQBUSA-N 0 3 357.480 -0.062 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2cc(=O)c(OC)co2)C[C@@H]1O)N(C)C ZINC001219869135 845033250 /nfs/dbraw/zinc/03/32/50/845033250.db2.gz HGMNHSSAGBVOLF-NFAWXSAZSA-N 0 3 353.419 -0.350 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@@H]1O)N(C)C ZINC001219869311 845033078 /nfs/dbraw/zinc/03/30/78/845033078.db2.gz JPIXPLDJPUFXHG-MCIONIFRSA-N 0 3 356.492 -0.280 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@@H]1O)N(C)C ZINC001219869462 845032960 /nfs/dbraw/zinc/03/29/60/845032960.db2.gz MUDXGANYBVDNET-KFWWJZLASA-N 0 3 363.524 -0.299 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCc2cccs2)C[C@@H]1O)N(C)C ZINC001219869475 845033167 /nfs/dbraw/zinc/03/31/67/845033167.db2.gz NGFGYLRTYSQCPT-KFWWJZLASA-N 0 3 368.503 -0.134 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1O)N(C)C ZINC001219869841 845032785 /nfs/dbraw/zinc/03/27/85/845032785.db2.gz UCARXSJKMPGMBY-UTUOFQBUSA-N 0 3 368.400 -0.491 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C1 ZINC001219869864 845035016 /nfs/dbraw/zinc/03/50/16/845035016.db2.gz ULHXIRHEDASYQY-MCIONIFRSA-N 0 3 353.471 -0.525 20 0 FBADHN COCCCN1C[C@@H](NC(=O)COCc2ccnc(OC)c2)[C@@H](O)C1 ZINC001219872085 845034189 /nfs/dbraw/zinc/03/41/89/845034189.db2.gz QCJCEEOIRGCDRW-CABCVRRESA-N 0 3 353.419 -0.195 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@@H]1O)N(C)C ZINC001219874602 845035098 /nfs/dbraw/zinc/03/50/98/845035098.db2.gz AOPSBACKWUURFH-UPJWGTAASA-N 0 3 355.439 -0.740 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@@H]1O)N(C)C ZINC001219874609 845035132 /nfs/dbraw/zinc/03/51/32/845035132.db2.gz AWYVUTURPLKCPI-UTUOFQBUSA-N 0 3 370.479 -0.713 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@@H]1O)N(C)C ZINC001219874625 845034712 /nfs/dbraw/zinc/03/47/12/845034712.db2.gz BAGOTTWDUJIMEG-MCIONIFRSA-N 0 3 357.499 -0.414 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@@H]1O)N(C)C ZINC001219874686 845034561 /nfs/dbraw/zinc/03/45/61/845034561.db2.gz CTSSIRNVAYOYCY-OAGGEKHMSA-N 0 3 350.467 -0.310 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnc(C)n2C2CC2)C[C@@H]1O)N(C)C ZINC001219874732 845034275 /nfs/dbraw/zinc/03/42/75/845034275.db2.gz DWBFFBCMCATQBD-KFWWJZLASA-N 0 3 350.467 -0.077 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@@H]1O)N(C)C ZINC001219874879 845034346 /nfs/dbraw/zinc/03/43/46/845034346.db2.gz GTZSHFMEEXSZLL-KFWWJZLASA-N 0 3 352.483 -0.064 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@@H]1O)N(C)C ZINC001219874938 845034317 /nfs/dbraw/zinc/03/43/17/845034317.db2.gz JFDNBCRJFZTLTI-MCIONIFRSA-N 0 3 361.508 -0.687 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@@H]1O)N(C)C ZINC001219874964 845034895 /nfs/dbraw/zinc/03/48/95/845034895.db2.gz LKKPCRIWOYLVNW-UTUOFQBUSA-N 0 3 356.496 -0.394 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)no2)C[C@@H]1O)N(C)C ZINC001219875010 845034467 /nfs/dbraw/zinc/03/44/67/845034467.db2.gz MXEBBTQXPLELMM-UPJWGTAASA-N 0 3 353.423 -0.577 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nc(C)cs2)C[C@@H]1O)N(C)C ZINC001219875049 845034915 /nfs/dbraw/zinc/03/49/15/845034915.db2.gz NZUTZIXHNNYBOQ-UPJWGTAASA-N 0 3 369.491 -0.108 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1O)N(C)C ZINC001219875051 845034290 /nfs/dbraw/zinc/03/42/90/845034290.db2.gz OCQVOMCDAKNLCK-KFWWJZLASA-N 0 3 352.435 -0.603 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1O)N(C)C ZINC001219875065 845035089 /nfs/dbraw/zinc/03/50/89/845035089.db2.gz OSACKEAYBFWRDH-UTUOFQBUSA-N 0 3 355.464 -0.417 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@@H]1O)N(C)C ZINC001219875096 845034930 /nfs/dbraw/zinc/03/49/30/845034930.db2.gz PJLGNBVGJFLVMG-OAGGEKHMSA-N 0 3 354.495 -0.063 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)on2)C[C@@H]1O)N(C)C ZINC001219875098 845035025 /nfs/dbraw/zinc/03/50/25/845035025.db2.gz PJRDJOWYQDTKHF-UPJWGTAASA-N 0 3 353.423 -0.577 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1O)N(C)C ZINC001219875157 845034823 /nfs/dbraw/zinc/03/48/23/845034823.db2.gz QEISCVZGPSBLGG-MCIONIFRSA-N 0 3 350.467 -0.384 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@@H]1O)N(C)C ZINC001219875191 845036213 /nfs/dbraw/zinc/03/62/13/845036213.db2.gz RTKQUOYNDWNGDO-MCIONIFRSA-N 0 3 350.467 -0.306 20 0 FBADHN CCCn1c(C)nnc1CN1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C1 ZINC001219875195 845036016 /nfs/dbraw/zinc/03/60/16/845036016.db2.gz RXPPWNSIIJRFFN-KFWWJZLASA-N 0 3 352.483 -0.002 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@@H]1O)N(C)C ZINC001219875206 845036383 /nfs/dbraw/zinc/03/63/83/845036383.db2.gz SNFREPKJSYRPGN-OAGGEKHMSA-N 0 3 354.495 -0.254 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnc(C(C)C)n2C)C[C@@H]1O)N(C)C ZINC001219875208 845036560 /nfs/dbraw/zinc/03/65/60/845036560.db2.gz SOOUGGDSXWLDAC-MCIONIFRSA-N 0 3 352.483 -0.060 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@@H]1O)N(C)C ZINC001219875244 845036820 /nfs/dbraw/zinc/03/68/20/845036820.db2.gz VKFOORDTIXRAOJ-UPJWGTAASA-N 0 3 353.471 -0.570 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2cnc(OC)nc2C)C[C@@H]1O)N(C)C ZINC001219875263 845036752 /nfs/dbraw/zinc/03/67/52/845036752.db2.gz WPCZLMXUAMDSLT-KFWWJZLASA-N 0 3 351.451 -0.205 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@@H]1O)N(C)C ZINC001219875280 845036255 /nfs/dbraw/zinc/03/62/55/845036255.db2.gz XSNVQLRGUKMYKN-UTUOFQBUSA-N 0 3 360.409 -0.455 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@@H]1O)N(C)C ZINC001219875287 845035715 /nfs/dbraw/zinc/03/57/15/845035715.db2.gz YIEVPSQGNHZOJN-KFWWJZLASA-N 0 3 361.508 -0.687 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1O)N(C)C ZINC001219875309 845036644 /nfs/dbraw/zinc/03/66/44/845036644.db2.gz ZBBOTPYZMIWKRH-MXWKQRLJSA-N 0 3 354.373 -0.834 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1O)N(C)C ZINC001219875319 845036695 /nfs/dbraw/zinc/03/66/95/845036695.db2.gz ZJTMYPFIPUXUQV-OAGGEKHMSA-N 0 3 354.495 -0.110 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@@H]1O)N(C)C ZINC001219875321 845035944 /nfs/dbraw/zinc/03/59/44/845035944.db2.gz ZLUXYGIZIAFMAL-UPJWGTAASA-N 0 3 355.439 -0.740 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@@H]1O)N(C)C ZINC001219875727 845035867 /nfs/dbraw/zinc/03/58/67/845035867.db2.gz ACLCFZSIJRJUKY-MCIONIFRSA-N 0 3 350.467 -0.306 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219875732 845035598 /nfs/dbraw/zinc/03/55/98/845035598.db2.gz AGXDOXILTZXCAT-CABCVRRESA-N 0 3 353.419 -0.108 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@@H](O)C1 ZINC001219875794 845036582 /nfs/dbraw/zinc/03/65/82/845036582.db2.gz DLSHSHJMFBZFDU-XQHKEYJVSA-N 0 3 370.368 -0.079 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@@H]1O)N(C)C ZINC001219875846 845036661 /nfs/dbraw/zinc/03/66/61/845036661.db2.gz HJASABKTYOHLTA-UPJWGTAASA-N 0 3 353.471 -0.570 20 0 FBADHN O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219876116 845036898 /nfs/dbraw/zinc/03/68/98/845036898.db2.gz VGKJILBLQPOVDP-KFWWJZLASA-N 0 3 351.403 -0.498 20 0 FBADHN O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219876117 845036612 /nfs/dbraw/zinc/03/66/12/845036612.db2.gz VGKJILBLQPOVDP-ZNMIVQPWSA-N 0 3 351.403 -0.498 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@@H]1O)N(C)C ZINC001219876138 845035672 /nfs/dbraw/zinc/03/56/72/845035672.db2.gz WPHHCJDBWZADLI-KFWWJZLASA-N 0 3 352.435 -0.251 20 0 FBADHN CC(C)OCCN1C[C@@H](NC(=O)C(C)(C)CN2CCOCC2)[C@@H](O)C1 ZINC001219878057 845037494 /nfs/dbraw/zinc/03/74/94/845037494.db2.gz YFTDDCYVRDDHFM-CVEARBPZSA-N 0 3 357.495 -0.069 20 0 FBADHN COC(=O)[C@@H](NC(=O)[C@H](N)CCC(=O)OCc1ccccc1)[C@@H](C)O ZINC001219879181 845037197 /nfs/dbraw/zinc/03/71/97/845037197.db2.gz AQICLRWNCCTNPL-KYOSRNDESA-N 0 3 352.387 -0.124 20 0 FBADHN Cn1cc(Br)cc(NC(=O)[C@@H]2COC3(CNC3)CN2)c1=O ZINC001219880869 845038902 /nfs/dbraw/zinc/03/89/02/845038902.db2.gz LUHLJCBZFFKVIO-JTQLQIEISA-N 0 3 357.208 -0.583 20 0 FBADHN Cn1cc(Br)cc(NC(=O)[C@H]2COC3(CNC3)CN2)c1=O ZINC001219880870 845039934 /nfs/dbraw/zinc/03/99/34/845039934.db2.gz LUHLJCBZFFKVIO-SNVBAGLBSA-N 0 3 357.208 -0.583 20 0 FBADHN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C1 ZINC001219891409 845044729 /nfs/dbraw/zinc/04/47/29/845044729.db2.gz TYGQHTOLFRGAHO-MJVIPROJSA-N 0 3 364.368 -0.101 20 0 FBADHN CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C1 ZINC001219891411 845045392 /nfs/dbraw/zinc/04/53/92/845045392.db2.gz TYGQHTOLFRGAHO-UHIISALHSA-N 0 3 364.368 -0.101 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219896811 845049651 /nfs/dbraw/zinc/04/96/51/845049651.db2.gz KKHRZDKSYODFBZ-OLZOCXBDSA-N 0 3 354.451 -0.973 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@@H]1O ZINC001219896882 845049910 /nfs/dbraw/zinc/04/99/10/845049910.db2.gz NRODIEJWNSMWQB-NEPJUHHUSA-N 0 3 353.423 -0.495 20 0 FBADHN CCC/C=C\CCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219896954 845049789 /nfs/dbraw/zinc/04/97/89/845049789.db2.gz QDXFBNISBTUYJX-JGUVHBTRSA-N 0 3 354.451 -0.854 20 0 FBADHN CCC/C=C/CCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219896955 845049270 /nfs/dbraw/zinc/04/92/70/845049270.db2.gz QDXFBNISBTUYJX-MUHKLVGJSA-N 0 3 354.451 -0.854 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N(CC)C2CC2)C[C@@H]1O ZINC001219896997 845049025 /nfs/dbraw/zinc/04/90/25/845049025.db2.gz SGFLNBAWALJJJC-CABCVRRESA-N 0 3 354.495 -0.111 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@@H](O)C1 ZINC001219896998 845049888 /nfs/dbraw/zinc/04/98/88/845049888.db2.gz SGVBQBPRVHSSDY-UPJWGTAASA-N 0 3 353.423 -0.866 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@@H](O)C1 ZINC001219896999 845048898 /nfs/dbraw/zinc/04/88/98/845048898.db2.gz SGVBQBPRVHSSDY-XQQFMLRXSA-N 0 3 353.423 -0.866 20 0 FBADHN O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001219897019 845049172 /nfs/dbraw/zinc/04/91/72/845049172.db2.gz TWAIVHJJPQVWHV-UPJWGTAASA-N 0 3 355.414 -0.153 20 0 FBADHN O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001219897020 845049438 /nfs/dbraw/zinc/04/94/38/845049438.db2.gz TWAIVHJJPQVWHV-XQQFMLRXSA-N 0 3 355.414 -0.153 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001219897111 845049853 /nfs/dbraw/zinc/04/98/53/845049853.db2.gz XRBZGGNCNKMXFH-KGLIPLIRSA-N 0 3 356.467 -0.774 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C2CC2)C[C@@H]1O ZINC001219897127 845049191 /nfs/dbraw/zinc/04/91/91/845049191.db2.gz YKYJXKCDRHHJAU-CFVMTHIKSA-N 0 3 354.495 -0.207 20 0 FBADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C2CC2)C[C@@H]1O ZINC001219897128 845049089 /nfs/dbraw/zinc/04/90/89/845049089.db2.gz YKYJXKCDRHHJAU-YUELXQCFSA-N 0 3 354.495 -0.207 20 0 FBADHN COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001219898554 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20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(Cl)nc(Cl)c1 ZINC001220069549 845120683 /nfs/dbraw/zinc/12/06/83/845120683.db2.gz CLWRJINSQUKGRW-XPUUQOCRSA-N 0 3 362.217 -0.288 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@@H](O)C1 ZINC001220070116 845120668 /nfs/dbraw/zinc/12/06/68/845120668.db2.gz AWFYNDIXSNTCIP-MCIONIFRSA-N 0 3 365.421 -0.460 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@@H](O)C1 ZINC001220070117 845120680 /nfs/dbraw/zinc/12/06/80/845120680.db2.gz AWFYNDIXSNTCIP-RDBSUJKOSA-N 0 3 365.421 -0.460 20 0 FBADHN COCCCN1C[C@@H](NC(=O)[C@@H]2COCCN2CC2CCC2)[C@@H](O)C1 ZINC001220070306 845119943 /nfs/dbraw/zinc/11/99/43/845119943.db2.gz JKKAUHJZWMFFRD-IKGGRYGDSA-N 0 3 355.479 -0.315 20 0 FBADHN COCCCN1C[C@@H](NC(=O)[C@H]2COCCN2CC2CCC2)[C@@H](O)C1 ZINC001220070307 845119795 /nfs/dbraw/zinc/11/97/95/845119795.db2.gz JKKAUHJZWMFFRD-ZACQAIPSSA-N 0 3 355.479 -0.315 20 0 FBADHN COCCCN1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@@H](O)C1 ZINC001220070504 845120672 /nfs/dbraw/zinc/12/06/72/845120672.db2.gz SHPUQWDDUZNHHR-AGIUHOORSA-N 0 3 351.394 -0.850 20 0 FBADHN COCCCN1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@@H](O)C1 ZINC001220070505 845120688 /nfs/dbraw/zinc/12/06/88/845120688.db2.gz SHPUQWDDUZNHHR-UPJWGTAASA-N 0 3 351.394 -0.850 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@@H](O)C1 ZINC001220073673 845122263 /nfs/dbraw/zinc/12/22/63/845122263.db2.gz HNAWKRIZCQQCFP-JJXSEGSLSA-N 0 3 357.451 -0.790 20 0 FBADHN CO[C@H]1C[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)N(C(C)=O)C1 ZINC001220073680 845121782 /nfs/dbraw/zinc/12/17/82/845121782.db2.gz HRTNDBDEBMDQQW-JJXSEGSLSA-N 0 3 359.442 -0.077 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001220073739 845121410 /nfs/dbraw/zinc/12/14/10/845121410.db2.gz KRNBGKYIRUIYNF-KGLIPLIRSA-N 0 3 362.496 -0.828 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@@H]1O ZINC001220074057 845123933 /nfs/dbraw/zinc/12/39/33/845123933.db2.gz VXDUEAHVNVTUBF-CFVMTHIKSA-N 0 3 370.475 -0.729 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@@H]1O ZINC001220074058 845124010 /nfs/dbraw/zinc/12/40/10/845124010.db2.gz VXDUEAHVNVTUBF-YUELXQCFSA-N 0 3 370.475 -0.729 20 0 FBADHN CC[C@@H](c1ccccc1)N1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001220075776 845123101 /nfs/dbraw/zinc/12/31/01/845123101.db2.gz IQDANJIITLRGME-ILXRZTDVSA-N 0 3 370.475 -0.647 20 0 FBADHN CC[C@H](c1ccccc1)N1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001220075777 845123247 /nfs/dbraw/zinc/12/32/47/845123247.db2.gz IQDANJIITLRGME-KFWWJZLASA-N 0 3 370.475 -0.647 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001220075778 845123921 /nfs/dbraw/zinc/12/39/21/845123921.db2.gz IQDKXHCLWUSRRQ-NEPJUHHUSA-N 0 3 350.485 -0.972 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001220076195 845123764 /nfs/dbraw/zinc/12/37/64/845123764.db2.gz SQGSPUKLPYPWBL-KGLIPLIRSA-N 0 3 360.480 -0.908 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@@H]1O ZINC001220078419 845125135 /nfs/dbraw/zinc/12/51/35/845125135.db2.gz PNUIEQHYFWCHNW-CABCVRRESA-N 0 3 370.475 -0.981 20 0 FBADHN COC(=O)[C@H](CCSC)NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001220079430 845125159 /nfs/dbraw/zinc/12/51/59/845125159.db2.gz LCANYHBZTOZKAC-DCAQKATOSA-N 0 3 361.464 -0.292 20 0 FBADHN CO[C@@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O)c1cnn(C)c1 ZINC001220082355 845127913 /nfs/dbraw/zinc/12/79/13/845127913.db2.gz RFMODPBPACEKET-OWCLPIDISA-N 0 3 352.435 -0.305 20 0 FBADHN CO[C@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O)c1cnn(C)c1 ZINC001220082356 845127429 /nfs/dbraw/zinc/12/74/29/845127429.db2.gz RFMODPBPACEKET-PMPSAXMXSA-N 0 3 352.435 -0.305 20 0 FBADHN CCOC(=O)C(F)(F)CNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001220096611 845131226 /nfs/dbraw/zinc/13/12/26/845131226.db2.gz FICTXZCWHFBLRR-IUCAKERBSA-N 0 3 351.350 -0.388 20 0 FBADHN COCCCN1C[C@@H](NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001220100671 845132207 /nfs/dbraw/zinc/13/22/07/845132207.db2.gz HFCCFAHMIXYOTI-OLZOCXBDSA-N 0 3 354.407 -0.673 20 0 FBADHN CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001220101432 845132297 /nfs/dbraw/zinc/13/22/97/845132297.db2.gz NLDGVVUUVCWBMZ-DCAQKATOSA-N 0 3 350.441 -1.000 20 0 FBADHN O=C(CCn1ccnc1)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220105705 845133766 /nfs/dbraw/zinc/13/37/66/845133766.db2.gz IKWLUBPFEXMDTQ-OAGGEKHMSA-N 0 3 352.435 -0.370 20 0 FBADHN O=C(CCn1ccnc1)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220105706 845133507 /nfs/dbraw/zinc/13/35/07/845133507.db2.gz IKWLUBPFEXMDTQ-XHSDSOJGSA-N 0 3 352.435 -0.370 20 0 FBADHN CC1(C)OCc2cc(C[C@H](N)C(=O)NC(CO)(CO)CO)ccc2O1 ZINC001220108409 845135354 /nfs/dbraw/zinc/13/53/54/845135354.db2.gz PGHTZQVWJIFVJI-ZDUSSCGKSA-N 0 3 354.403 -0.967 20 0 FBADHN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@@H]2O)c1C ZINC001220110358 845136641 /nfs/dbraw/zinc/13/66/41/845136641.db2.gz DRWDUVXKHRNUBA-GDLCADMTSA-N 0 3 352.435 -0.667 20 0 FBADHN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]2O)c1C ZINC001220110359 845136758 /nfs/dbraw/zinc/13/67/58/845136758.db2.gz DRWDUVXKHRNUBA-HONMWMINSA-N 0 3 352.435 -0.667 20 0 FBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC(CC)(CO)CO ZINC001220111082 845137890 /nfs/dbraw/zinc/13/78/90/845137890.db2.gz KGNIJIJTNDHHET-AVGNSLFASA-N 0 3 363.524 -0.153 20 0 FBADHN CCOCCCN1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 ZINC001220112476 845137943 /nfs/dbraw/zinc/13/79/43/845137943.db2.gz LMCLLKKSPQOFAW-KGLIPLIRSA-N 0 3 352.435 -0.401 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 ZINC001220112516 845137809 /nfs/dbraw/zinc/13/78/09/845137809.db2.gz NQDPJNQRSNCRLC-KGLIPLIRSA-N 0 3 352.435 -0.401 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H](O)c2ccc(O)cc2)COC1(C)C ZINC001220116074 845139042 /nfs/dbraw/zinc/13/90/42/845139042.db2.gz XWTGVSFYSFBPBH-BPNCWPANSA-N 0 3 351.403 -0.148 20 0 FBADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H](O)c2ccc(O)cc2)COC1(C)C ZINC001220116075 845139475 /nfs/dbraw/zinc/13/94/75/845139475.db2.gz XWTGVSFYSFBPBH-LEWSCRJBSA-N 0 3 351.403 -0.148 20 0 FBADHN Cc1nn[n-]c1C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220116887 845139537 /nfs/dbraw/zinc/13/95/37/845139537.db2.gz MZSKQJBVJJVYTM-ZJUUUORDSA-N 0 3 351.329 -0.143 20 0 FBADHN Cc1nn[n-]c1C(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220116887 845139533 /nfs/dbraw/zinc/13/95/33/845139533.db2.gz MZSKQJBVJJVYTM-ZJUUUORDSA-N 0 3 351.329 -0.143 20 0 FBADHN N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220117145 845139506 /nfs/dbraw/zinc/13/95/06/845139506.db2.gz AUSJVXZFDDGABH-FZGMBXNASA-N 0 3 362.348 -0.206 20 0 FBADHN COc1ccc(CSC[C@H](N)C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001220117193 845139453 /nfs/dbraw/zinc/13/94/53/845139453.db2.gz BZMUEHKFSGGPEV-ZIRHEVKLSA-N 0 3 370.471 -0.526 20 0 FBADHN CC(C)(C)NC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119176 845140500 /nfs/dbraw/zinc/14/05/00/845140500.db2.gz DLUYJUGHRSAHPC-KGLIPLIRSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O)N1CCCC1 ZINC001220119226 845140745 /nfs/dbraw/zinc/14/07/45/845140745.db2.gz GPQFSRFDXVFCNW-CABCVRRESA-N 0 3 352.479 -0.452 20 0 FBADHN CCCCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119429 845140433 /nfs/dbraw/zinc/14/04/33/845140433.db2.gz MUEARKMJJNMSSQ-CABCVRRESA-N 0 3 354.495 -0.062 20 0 FBADHN CC(C)CNC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119492 845140775 /nfs/dbraw/zinc/14/07/75/845140775.db2.gz OYFQPFBRUAZVRM-CABCVRRESA-N 0 3 354.495 -0.206 20 0 FBADHN CC[C@@H](C)NC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119715 845141446 /nfs/dbraw/zinc/14/14/46/845141446.db2.gz SRNGJALOLYJAAO-KFWWJZLASA-N 0 3 354.495 -0.063 20 0 FBADHN CC[C@H](C)NC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119717 845141317 /nfs/dbraw/zinc/14/13/17/845141317.db2.gz SRNGJALOLYJAAO-ZNMIVQPWSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O)N1CCCC1 ZINC001220119827 845141541 /nfs/dbraw/zinc/14/15/41/845141541.db2.gz UYXCHRQHXLYXHI-CABCVRRESA-N 0 3 352.479 -0.452 20 0 FBADHN CCN(CC)C(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119837 845141668 /nfs/dbraw/zinc/14/16/68/845141668.db2.gz VHFQLOWRVRWUFT-CABCVRRESA-N 0 3 354.495 -0.110 20 0 FBADHN CCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119946 845141778 /nfs/dbraw/zinc/14/17/78/845141778.db2.gz XWXWAGZVSUBENW-KFWWJZLASA-N 0 3 354.495 -0.063 20 0 FBADHN CCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119948 845141571 /nfs/dbraw/zinc/14/15/71/845141571.db2.gz XWXWAGZVSUBENW-ZNMIVQPWSA-N 0 3 354.495 -0.063 20 0 FBADHN CC(C)N(C)C(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001220119958 845141723 /nfs/dbraw/zinc/14/17/23/845141723.db2.gz YCGVHTHVPIPCCF-CABCVRRESA-N 0 3 354.495 -0.111 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O)N1CCCC1 ZINC001220120011 845141595 /nfs/dbraw/zinc/14/15/95/845141595.db2.gz YJXFKRSURWHGSR-KGLIPLIRSA-N 0 3 361.508 -0.543 20 0 FBADHN N=C(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)SCCS(=O)(=O)[O-] ZINC001220127156 845142887 /nfs/dbraw/zinc/14/28/87/845142887.db2.gz KUWCOSYGMLTBQB-SECBINFHSA-N 0 3 350.466 -0.467 20 0 FBADHN N=C(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)SCCS(=O)(=O)[O-] ZINC001220127156 845142886 /nfs/dbraw/zinc/14/28/86/845142886.db2.gz KUWCOSYGMLTBQB-SECBINFHSA-N 0 3 350.466 -0.467 20 0 FBADHN N=C(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)SCCS(=O)(=O)[O-] ZINC001220127157 845142812 /nfs/dbraw/zinc/14/28/12/845142812.db2.gz KUWCOSYGMLTBQB-VIFPVBQESA-N 0 3 350.466 -0.467 20 0 FBADHN N=C(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)SCCS(=O)(=O)[O-] ZINC001220127157 845142808 /nfs/dbraw/zinc/14/28/08/845142808.db2.gz KUWCOSYGMLTBQB-VIFPVBQESA-N 0 3 350.466 -0.467 20 0 FBADHN NC(=O)NCCC[C@@H](N)C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127321 845142234 /nfs/dbraw/zinc/14/22/34/845142234.db2.gz PWAORJFWWLDZTI-GFCCVEGCSA-N 0 3 353.423 -0.636 20 0 FBADHN O=C(N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O)[C@H]1CCNC1=O ZINC001220130420 845142754 /nfs/dbraw/zinc/14/27/54/845142754.db2.gz XLSDGNQNJOEZEL-AXFHLTTASA-N 0 3 353.341 -0.747 20 0 FBADHN O=C(N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001220130421 845142611 /nfs/dbraw/zinc/14/26/11/845142611.db2.gz XLSDGNQNJOEZEL-MXWKQRLJSA-N 0 3 353.341 -0.747 20 0 FBADHN Cn1c(=O)[nH]cc1C(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001220132201 845144086 /nfs/dbraw/zinc/14/40/86/845144086.db2.gz FTSIHJGTNXDFEV-KOLCDFICSA-N 0 3 366.340 -0.130 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001220132382 845143917 /nfs/dbraw/zinc/14/39/17/845143917.db2.gz KUEUXDHKLDEQGF-OAGGEKHMSA-N 0 3 353.463 -0.119 20 0 FBADHN O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001220132384 845143965 /nfs/dbraw/zinc/14/39/65/845143965.db2.gz KUEUXDHKLDEQGF-XHSDSOJGSA-N 0 3 353.463 -0.119 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220135201 845143764 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NZUTZIXHNNYBOQ-AGIUHOORSA-N 0 3 369.491 -0.108 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@@H]1O)N(C)C ZINC001220378038 845222163 /nfs/dbraw/zinc/22/21/63/845222163.db2.gz YIEVPSQGNHZOJN-ILXRZTDVSA-N 0 3 361.508 -0.687 20 0 FBADHN COC(=O)C[C@H](NC(=O)[C@H](N)CCCNC(N)=O)C(=O)OC(C)(C)C ZINC001220378579 845223149 /nfs/dbraw/zinc/22/31/49/845223149.db2.gz BSOVYZRHXTTWIM-ZJUUUORDSA-N 0 3 360.411 -0.848 20 0 FBADHN COC(=O)C[C@H](NC(=O)[C@@H](N)Cc1cncn1C)C(=O)OC(C)(C)C ZINC001220379210 845222002 /nfs/dbraw/zinc/22/20/02/845222002.db2.gz NVKPGSHVFAJNGG-RYUDHWBXSA-N 0 3 354.407 -0.321 20 0 FBADHN COC(=O)C[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)C(=O)OC(C)(C)C ZINC001220379294 845222858 /nfs/dbraw/zinc/22/28/58/845222858.db2.gz PGHJYSBMSVCBKP-GUSLXAGDSA-N 0 3 350.437 -0.528 20 0 FBADHN COC(=O)C[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)C(=O)OC(C)(C)C ZINC001220379295 845222208 /nfs/dbraw/zinc/22/22/08/845222208.db2.gz PGHJYSBMSVCBKP-JLYOEYFJSA-N 0 3 350.437 -0.528 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@@H]1O)N(C)C ZINC001220379557 845222310 /nfs/dbraw/zinc/22/23/10/845222310.db2.gz ACLCFZSIJRJUKY-RDBSUJKOSA-N 0 3 350.467 -0.306 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@@H]1O)N(C)C ZINC001220379579 845223098 /nfs/dbraw/zinc/22/30/98/845223098.db2.gz AOPSBACKWUURFH-AGIUHOORSA-N 0 3 355.439 -0.740 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@@H]1O)N(C)C ZINC001220379633 845222259 /nfs/dbraw/zinc/22/22/59/845222259.db2.gz BPTHPCIOXWPQHI-AGIUHOORSA-N 0 3 369.491 -0.393 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2cc(=O)c(OC)co2)C[C@@H]1O)N(C)C ZINC001220379804 845222584 /nfs/dbraw/zinc/22/25/84/845222584.db2.gz HGMNHSSAGBVOLF-IPYPFGDCSA-N 0 3 353.419 -0.350 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@@H]1O)N(C)C ZINC001220379806 845222096 /nfs/dbraw/zinc/22/20/96/845222096.db2.gz HJASABKTYOHLTA-AGIUHOORSA-N 0 3 353.471 -0.570 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@@H]1O)N(C)C ZINC001220379918 845222810 /nfs/dbraw/zinc/22/28/10/845222810.db2.gz JPIXPLDJPUFXHG-RDBSUJKOSA-N 0 3 356.492 -0.280 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@@H]1O)N(C)C ZINC001220380012 845223031 /nfs/dbraw/zinc/22/30/31/845223031.db2.gz MUDXGANYBVDNET-ILXRZTDVSA-N 0 3 363.524 -0.299 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCc2cccs2)C[C@@H]1O)N(C)C ZINC001220380022 845223386 /nfs/dbraw/zinc/22/33/86/845223386.db2.gz NGFGYLRTYSQCPT-ILXRZTDVSA-N 0 3 368.503 -0.134 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1O)N(C)C ZINC001220380199 845222910 /nfs/dbraw/zinc/22/29/10/845222910.db2.gz UCARXSJKMPGMBY-WOPDTQHZSA-N 0 3 368.400 -0.491 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C1 ZINC001220380216 845221938 /nfs/dbraw/zinc/22/19/38/845221938.db2.gz ULHXIRHEDASYQY-RDBSUJKOSA-N 0 3 353.471 -0.525 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@@H]1O)N(C)C ZINC001220380270 845222026 /nfs/dbraw/zinc/22/20/26/845222026.db2.gz WPHHCJDBWZADLI-ILXRZTDVSA-N 0 3 352.435 -0.251 20 0 FBADHN CCOc1nnc(CN2C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C2)s1 ZINC001220380726 845223125 /nfs/dbraw/zinc/22/31/25/845223125.db2.gz CNWUWMNCLWUAEB-WOPDTQHZSA-N 0 3 357.480 -0.062 20 0 FBADHN O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@@H]1CCc2nnnn2CC1 ZINC001220387483 845226250 /nfs/dbraw/zinc/22/62/50/845226250.db2.gz JHTRKJGXGPLDCN-MCIONIFRSA-N 0 3 354.430 -0.073 20 0 FBADHN O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@H]1CCc2nnnn2CC1 ZINC001220387484 845225822 /nfs/dbraw/zinc/22/58/22/845225822.db2.gz JHTRKJGXGPLDCN-MJBXVCDLSA-N 0 3 354.430 -0.073 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387956 845227977 /nfs/dbraw/zinc/22/79/77/845227977.db2.gz WVIWXZNNHQTOSY-MCIONIFRSA-N 0 3 352.439 -0.787 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387957 845227332 /nfs/dbraw/zinc/22/73/32/845227332.db2.gz WVIWXZNNHQTOSY-MJBXVCDLSA-N 0 3 352.439 -0.787 20 0 FBADHN Cc1nc(CCN2C[C@@H](NC(=O)CCc3cnn[nH]3)[C@@H](O)C2)cs1 ZINC001220389373 845227148 /nfs/dbraw/zinc/22/71/48/845227148.db2.gz GIALCBWRPQMUIW-KGLIPLIRSA-N 0 3 350.448 -0.094 20 0 FBADHN O=C(CCc1cnn[nH]1)N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220389557 845228038 /nfs/dbraw/zinc/22/80/38/845228038.db2.gz PLHOXXWFFKPLKO-AXFHLTTASA-N 0 3 351.329 -0.788 20 0 FBADHN O=C(CCc1cnn[nH]1)N[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001220389558 845227680 /nfs/dbraw/zinc/22/76/80/845227680.db2.gz PLHOXXWFFKPLKO-MXWKQRLJSA-N 0 3 351.329 -0.788 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 ZINC001220389623 845227267 /nfs/dbraw/zinc/22/72/67/845227267.db2.gz REIYXGKJNHIUHB-KGLIPLIRSA-N 0 3 352.435 -0.448 20 0 FBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(C(F)(F)F)ccn1 ZINC001220390073 845228313 /nfs/dbraw/zinc/22/83/13/845228313.db2.gz MYKMQAVYARUIJO-XVKPBYJWSA-N 0 3 361.324 -0.576 20 0 FBADHN O=C(CCc1c[nH]nn1)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220391151 845227422 /nfs/dbraw/zinc/22/74/22/845227422.db2.gz CCWMWDHHDIJRDA-KFWWJZLASA-N 0 3 353.423 -0.906 20 0 FBADHN O=C(CCc1c[nH]nn1)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220391152 845227054 /nfs/dbraw/zinc/22/70/54/845227054.db2.gz CCWMWDHHDIJRDA-ZNMIVQPWSA-N 0 3 353.423 -0.906 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](O)C1 ZINC001220391875 845227842 /nfs/dbraw/zinc/22/78/42/845227842.db2.gz SDSZGUMPEFAVGV-OLZOCXBDSA-N 0 3 350.448 -0.094 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](O)C1 ZINC001220391875 845227830 /nfs/dbraw/zinc/22/78/30/845227830.db2.gz SDSZGUMPEFAVGV-OLZOCXBDSA-N 0 3 350.448 -0.094 20 0 FBADHN COc1ccc([C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c(F)c1 ZINC001220391987 845227011 /nfs/dbraw/zinc/22/70/11/845227011.db2.gz UKWDAYVWMDMOMH-RVBZMBCESA-N 0 3 354.382 -0.281 20 0 FBADHN N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncc(Br)[n-]c1=O ZINC001220398807 845232101 /nfs/dbraw/zinc/23/21/01/845232101.db2.gz NLYMBHIEXKOPLC-MRVPVSSYSA-N 0 3 359.228 -0.779 20 0 FBADHN N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncc(Br)[n-]c1=O ZINC001220398808 845231795 /nfs/dbraw/zinc/23/17/95/845231795.db2.gz NLYMBHIEXKOPLC-QMMMGPOBSA-N 0 3 359.228 -0.779 20 0 FBADHN CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ncc(Br)[n-]c1=O ZINC001220398919 845232271 /nfs/dbraw/zinc/23/22/71/845232271.db2.gz SGNBUXMQNSFLJX-RCOVLWMOSA-N 0 3 360.212 -0.040 20 0 FBADHN CCOCCCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399153 845231667 /nfs/dbraw/zinc/23/16/67/845231667.db2.gz CDFWXLHGRYKNCG-CABCVRRESA-N 0 3 350.419 -0.601 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399456 845231970 /nfs/dbraw/zinc/23/19/70/845231970.db2.gz RNVUGPJHUOZPLW-CABCVRRESA-N 0 3 350.419 -0.601 20 0 FBADHN CC[C@H](CN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1)OC ZINC001220399484 845231989 /nfs/dbraw/zinc/23/19/89/845231989.db2.gz TUBKGWGETMEVCF-KFWWJZLASA-N 0 3 350.419 -0.602 20 0 FBADHN CC[C@@H](CN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1)OC ZINC001220399485 845232598 /nfs/dbraw/zinc/23/25/98/845232598.db2.gz TUBKGWGETMEVCF-ZNMIVQPWSA-N 0 3 350.419 -0.602 20 0 FBADHN CC(C)N(C(=O)CN1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1)C(C)C ZINC001220423821 845237785 /nfs/dbraw/zinc/23/77/85/845237785.db2.gz ATVHZSWLDBWWMY-CABCVRRESA-N 0 3 351.451 -0.241 20 0 FBADHN CC(C)(C)NC(=O)NCCN1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001220423886 845238052 /nfs/dbraw/zinc/23/80/52/845238052.db2.gz FAHYURYBQHKBKF-OLZOCXBDSA-N 0 3 352.439 -0.789 20 0 FBADHN Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)[nH]c1=O ZINC001220424437 845237482 /nfs/dbraw/zinc/23/74/82/845237482.db2.gz FZZBDYNIHOLMMF-ZETCQYMHSA-N 0 3 365.312 -0.400 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001220427569 845240202 /nfs/dbraw/zinc/24/02/02/845240202.db2.gz KKJZLESUUCWGLP-CFVMTHIKSA-N 0 3 359.492 -0.024 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001220427571 845239922 /nfs/dbraw/zinc/23/99/22/845239922.db2.gz KKJZLESUUCWGLP-YUELXQCFSA-N 0 3 359.492 -0.024 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@@H]1O ZINC001220427639 845239311 /nfs/dbraw/zinc/23/93/11/845239311.db2.gz MMHPAFXNSQXOEG-BMFZPTHFSA-N 0 3 369.487 -0.282 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@@H]1O ZINC001220427640 845239071 /nfs/dbraw/zinc/23/90/71/845239071.db2.gz MMHPAFXNSQXOEG-IMJJTQAJSA-N 0 3 369.487 -0.282 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220427747 845239746 /nfs/dbraw/zinc/23/97/46/845239746.db2.gz NGJKHFQWPSVSTG-BNOWGMLFSA-N 0 3 359.492 -0.334 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220427748 845240279 /nfs/dbraw/zinc/24/02/79/845240279.db2.gz NGJKHFQWPSVSTG-YUTCNCBUSA-N 0 3 359.492 -0.334 20 0 FBADHN Cc1cccc(C)c1CN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428261 845241129 /nfs/dbraw/zinc/24/11/29/845241129.db2.gz XCLOTOXCLKVGIG-BMFZPTHFSA-N 0 3 369.487 -0.098 20 0 FBADHN Cc1cccc(C)c1CN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428262 845240565 /nfs/dbraw/zinc/24/05/65/845240565.db2.gz XCLOTOXCLKVGIG-IMJJTQAJSA-N 0 3 369.487 -0.098 20 0 FBADHN N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@@H]1COCCN1 ZINC001220429663 845241813 /nfs/dbraw/zinc/24/18/13/845241813.db2.gz WUEYSOZJUSSFPZ-HUUCEWRRSA-N 0 3 366.487 -0.532 20 0 FBADHN N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@H]1COCCN1 ZINC001220429664 845241426 /nfs/dbraw/zinc/24/14/26/845241426.db2.gz WUEYSOZJUSSFPZ-LSDHHAIUSA-N 0 3 366.487 -0.532 20 0 FBADHN CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1COCCN1 ZINC001220431633 845243781 /nfs/dbraw/zinc/24/37/81/845243781.db2.gz LMXFWQAVWJSNOH-IHRRRGAJSA-N 0 3 356.467 -0.776 20 0 FBADHN CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COCCN1 ZINC001220431634 845243522 /nfs/dbraw/zinc/24/35/22/845243522.db2.gz LMXFWQAVWJSNOH-RDBSUJKOSA-N 0 3 356.467 -0.776 20 0 FBADHN CCCCCCN1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220438959 845246812 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COCCOCCN1C[C@@H](NC(=O)CCCn2ccnc2C)[C@@H](O)C1 ZINC001220547861 845291965 /nfs/dbraw/zinc/29/19/65/845291965.db2.gz KZPSNHIGIJUMIG-CVEARBPZSA-N 0 3 354.451 -0.204 20 0 FBADHN C[C@H](O)CCCN1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@@H](O)C1 ZINC001220548059 845293748 /nfs/dbraw/zinc/29/37/48/845293748.db2.gz UUOUWRGHRDWHES-BBWFWOEESA-N 0 3 357.495 -0.189 20 0 FBADHN C[C@@H](O)CCCN1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@@H](O)C1 ZINC001220548060 845292735 /nfs/dbraw/zinc/29/27/35/845292735.db2.gz UUOUWRGHRDWHES-ZACQAIPSSA-N 0 3 357.495 -0.189 20 0 FBADHN Cc1nc([C@@H](C)N2C[C@@H](NC(=O)CCN3CCOCC3)[C@@H](O)C2)n[nH]1 ZINC001220553214 845294924 /nfs/dbraw/zinc/29/49/24/845294924.db2.gz CMWBADWUFIQMNL-BNOWGMLFSA-N 0 3 352.439 -0.942 20 0 FBADHN Cc1nc([C@H](C)N2C[C@@H](NC(=O)CCN3CCOCC3)[C@@H](O)C2)n[nH]1 ZINC001220553216 845294348 /nfs/dbraw/zinc/29/43/48/845294348.db2.gz CMWBADWUFIQMNL-YUTCNCBUSA-N 0 3 352.439 -0.942 20 0 FBADHN CCOC1CC(CN2C[C@@H](NC(=O)CCN3CCOCC3)[C@@H](O)C2)C1 ZINC001220553363 845295458 /nfs/dbraw/zinc/29/54/58/845295458.db2.gz GGIBJZCIXVLHFG-BACDZXNISA-N 0 3 355.479 -0.315 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220553398 845295332 /nfs/dbraw/zinc/29/53/32/845295332.db2.gz ILHJOTAJOYBHTP-BBWFWOEESA-N 0 3 355.479 -0.313 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220553399 845295015 /nfs/dbraw/zinc/29/50/15/845295015.db2.gz ILHJOTAJOYBHTP-ZACQAIPSSA-N 0 3 355.479 -0.313 20 0 FBADHN Cc1ncsc1CCN1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553442 845295242 /nfs/dbraw/zinc/29/52/42/845295242.db2.gz KFMDPQOEZKEGEW-CABCVRRESA-N 0 3 368.503 -0.122 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220553671 845295117 /nfs/dbraw/zinc/29/51/17/845295117.db2.gz OYPIYCDYOARHOO-BBWFWOEESA-N 0 3 355.479 -0.171 20 0 FBADHN O=C(CCN1CCOCC1)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220553672 845295646 /nfs/dbraw/zinc/29/56/46/845295646.db2.gz OYPIYCDYOARHOO-ZACQAIPSSA-N 0 3 355.479 -0.171 20 0 FBADHN CCO[C@@H](CN1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001220553772 845296659 /nfs/dbraw/zinc/29/66/59/845296659.db2.gz SGJYAMJSODGJFQ-IKGGRYGDSA-N 0 3 355.479 -0.315 20 0 FBADHN CCO[C@H](CN1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1)C1CC1 ZINC001220553773 845296746 /nfs/dbraw/zinc/29/67/46/845296746.db2.gz SGJYAMJSODGJFQ-IXDOHACOSA-N 0 3 355.479 -0.315 20 0 FBADHN CO[C@@H](CN1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1)C1CCC1 ZINC001220553890 845296599 /nfs/dbraw/zinc/29/65/99/845296599.db2.gz WOYCFIXKQDJPOV-IKGGRYGDSA-N 0 3 355.479 -0.315 20 0 FBADHN CO[C@H](CN1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1)C1CCC1 ZINC001220553891 845296909 /nfs/dbraw/zinc/29/69/09/845296909.db2.gz WOYCFIXKQDJPOV-IXDOHACOSA-N 0 3 355.479 -0.315 20 0 FBADHN CC1(C)CO[C@@H](CN2C[C@@H](NC(=O)CCN3CCOCC3)[C@@H](O)C2)C1 ZINC001220553899 845296967 /nfs/dbraw/zinc/29/69/67/845296967.db2.gz XEGAWHGYUNUPFJ-OAGGEKHMSA-N 0 3 355.479 -0.315 20 0 FBADHN CC1(C)CO[C@H](CN2C[C@@H](NC(=O)CCN3CCOCC3)[C@@H](O)C2)C1 ZINC001220553900 845297095 /nfs/dbraw/zinc/29/70/95/845297095.db2.gz XEGAWHGYUNUPFJ-XHSDSOJGSA-N 0 3 355.479 -0.315 20 0 FBADHN CC/C=C/CCN1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558090 845297182 /nfs/dbraw/zinc/29/71/82/845297182.db2.gz JXZUBXWMELJVAI-KLJLBDGCSA-N 0 3 354.451 -0.726 20 0 FBADHN CC/C=C/CCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558091 845298020 /nfs/dbraw/zinc/29/80/20/845298020.db2.gz JXZUBXWMELJVAI-RUFGBCQQSA-N 0 3 354.451 -0.726 20 0 FBADHN CC/C=C\CCN1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558092 845298809 /nfs/dbraw/zinc/29/88/09/845298809.db2.gz JXZUBXWMELJVAI-SKRFXGAOSA-N 0 3 354.451 -0.726 20 0 FBADHN CC/C=C\CCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558093 845298721 /nfs/dbraw/zinc/29/87/21/845298721.db2.gz JXZUBXWMELJVAI-SXEWGOIYSA-N 0 3 354.451 -0.726 20 0 FBADHN CCCCCCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558201 845299249 /nfs/dbraw/zinc/29/92/49/845299249.db2.gz 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CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001220564535 845301411 /nfs/dbraw/zinc/30/14/11/845301411.db2.gz AOBOMUQPDHJNIG-CABCVRRESA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001220564575 845301296 /nfs/dbraw/zinc/30/12/96/845301296.db2.gz CPRTVWDTKIATSQ-KGLIPLIRSA-N 0 3 353.471 -0.617 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001220564740 845301953 /nfs/dbraw/zinc/30/19/53/845301953.db2.gz FRRNEKMGTHFNOX-CVEARBPZSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001220565088 845302831 /nfs/dbraw/zinc/30/28/31/845302831.db2.gz LYPFVUBTNJNSFW-CABCVRRESA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001220565185 845303576 /nfs/dbraw/zinc/30/35/76/845303576.db2.gz NBVCMJNPNIUBDH-CVEARBPZSA-N 0 3 354.495 -0.108 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001220565656 845302872 /nfs/dbraw/zinc/30/28/72/845302872.db2.gz YBJGQARTWKUTRV-CVEARBPZSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001220565666 845303770 /nfs/dbraw/zinc/30/37/70/845303770.db2.gz YJZZMANGAFMCOV-KGLIPLIRSA-N 0 3 353.471 -0.617 20 0 FBADHN CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H](N)CCCNC(N)=O ZINC001220565969 845303927 /nfs/dbraw/zinc/30/39/27/845303927.db2.gz WGCTWDLBFOASJE-CHWSQXEVSA-N 0 3 351.407 -0.552 20 0 FBADHN CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](N)CCCNC(N)=O ZINC001220565970 845302908 /nfs/dbraw/zinc/30/29/08/845302908.db2.gz WGCTWDLBFOASJE-OLZOCXBDSA-N 0 3 351.407 -0.552 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001220568255 845303887 /nfs/dbraw/zinc/30/38/87/845303887.db2.gz DDVCJCHXFPPXQQ-CVEARBPZSA-N 0 3 352.483 -0.049 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001220568307 845303216 /nfs/dbraw/zinc/30/32/16/845303216.db2.gz GHLOMCMPEOKNND-CVEARBPZSA-N 0 3 352.483 -0.012 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220568564 845302697 /nfs/dbraw/zinc/30/26/97/845302697.db2.gz SLFOEPVHYPTGOV-OAGGEKHMSA-N 0 3 354.495 -0.062 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220568565 845303183 /nfs/dbraw/zinc/30/31/83/845303183.db2.gz SLFOEPVHYPTGOV-PMPSAXMXSA-N 0 3 354.495 -0.062 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220568586 845302633 /nfs/dbraw/zinc/30/26/33/845302633.db2.gz UCMQCWURSKWGRI-OAGGEKHMSA-N 0 3 354.495 -0.110 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220568587 845303480 /nfs/dbraw/zinc/30/34/80/845303480.db2.gz UCMQCWURSKWGRI-PMPSAXMXSA-N 0 3 354.495 -0.110 20 0 FBADHN CCCCCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001220568615 845303330 /nfs/dbraw/zinc/30/33/30/845303330.db2.gz VPDMNSBTVFKKEM-CVEARBPZSA-N 0 3 354.495 -0.062 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)CNC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001220570443 845302726 /nfs/dbraw/zinc/30/27/26/845302726.db2.gz IESBODUQXAEVAR-CABCVRRESA-N 0 3 357.451 -0.883 20 0 FBADHN CC[C@H](CN1C[C@@H](NC(=O)CNC(=O)C2CCOCC2)[C@@H](O)C1)OC ZINC001220570651 845303737 /nfs/dbraw/zinc/30/37/37/845303737.db2.gz SZWJXEXMQMRFCV-KFWWJZLASA-N 0 3 357.451 -0.885 20 0 FBADHN CC[C@@H](CN1C[C@@H](NC(=O)CNC(=O)C2CCOCC2)[C@@H](O)C1)OC ZINC001220570652 845303110 /nfs/dbraw/zinc/30/31/10/845303110.db2.gz SZWJXEXMQMRFCV-ZNMIVQPWSA-N 0 3 357.451 -0.885 20 0 FBADHN CCOCCCN1C[C@@H](NC(=O)CNC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001220570678 845302963 /nfs/dbraw/zinc/30/29/63/845302963.db2.gz UZTYTKQLPJMVEC-CABCVRRESA-N 0 3 357.451 -0.883 20 0 FBADHN O=C(CNC(=O)C1CCOCC1)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001220570708 845303625 /nfs/dbraw/zinc/30/36/25/845303625.db2.gz WKZUOORNYZNGTB-CABCVRRESA-N 0 3 359.442 -0.170 20 0 FBADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)NCCN1CC2(COC2)C1 ZINC001220571450 845303266 /nfs/dbraw/zinc/30/32/66/845303266.db2.gz RRKNRBFKOGHBHJ-NSHDSACASA-N 0 3 366.384 -0.389 20 0 FBADHN CCn1nc(C(=O)N[C@@H]2CN(CCCCCOC)C[C@@H]2O)ccc1=O ZINC001220573140 845304669 /nfs/dbraw/zinc/30/46/69/845304669.db2.gz RPVORHUKRFPHQP-CABCVRRESA-N 0 3 352.435 -0.145 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCCOC)C[C@@H]1O ZINC001220574542 845305263 /nfs/dbraw/zinc/30/52/63/845305263.db2.gz DUSBIVOEXYLICS-KFWWJZLASA-N 0 3 358.483 -0.969 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCCOC)C[C@@H]1O ZINC001220574546 845305396 /nfs/dbraw/zinc/30/53/96/845305396.db2.gz DUSBIVOEXYLICS-ZNMIVQPWSA-N 0 3 358.483 -0.969 20 0 FBADHN CCOc1nnc(CN2C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C2)s1 ZINC001220574692 845306929 /nfs/dbraw/zinc/30/69/29/845306929.db2.gz ICONEGHBVIDUTD-NEPJUHHUSA-N 0 3 357.480 -0.060 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H](O)COCc2cccs2)C[C@@H]1O)c1nc[nH]n1 ZINC001220575585 845305851 /nfs/dbraw/zinc/30/58/51/845305851.db2.gz YBPMBZFLUKJLPX-RTXFEEFZSA-N 0 3 367.431 -0.781 20 0 FBADHN O=C(N[C@@H]1CN(C[C@@H](O)COCc2cccs2)C[C@@H]1O)c1ncn[nH]1 ZINC001220575585 845305846 /nfs/dbraw/zinc/30/58/46/845305846.db2.gz YBPMBZFLUKJLPX-RTXFEEFZSA-N 0 3 367.431 -0.781 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H](O)COCc2cccs2)C[C@@H]1O)c1nc[nH]n1 ZINC001220575586 845306453 /nfs/dbraw/zinc/30/64/53/845306453.db2.gz YBPMBZFLUKJLPX-UHTWSYAYSA-N 0 3 367.431 -0.781 20 0 FBADHN O=C(N[C@@H]1CN(C[C@H](O)COCc2cccs2)C[C@@H]1O)c1ncn[nH]1 ZINC001220575586 845306448 /nfs/dbraw/zinc/30/64/48/845306448.db2.gz YBPMBZFLUKJLPX-UHTWSYAYSA-N 0 3 367.431 -0.781 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@@H]1O ZINC001220576515 845306266 /nfs/dbraw/zinc/30/62/66/845306266.db2.gz CVNLBDRAMSBTHJ-CVEARBPZSA-N 0 3 354.495 -0.062 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001220576635 845306229 /nfs/dbraw/zinc/30/62/29/845306229.db2.gz JHCICVDBGRRFHC-OAGGEKHMSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001220576636 845307020 /nfs/dbraw/zinc/30/70/20/845307020.db2.gz JHCICVDBGRRFHC-XHSDSOJGSA-N 0 3 354.495 -0.110 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@@H]1O ZINC001220576672 845306344 /nfs/dbraw/zinc/30/63/44/845306344.db2.gz LDVNKMRMLWUPCV-OLZOCXBDSA-N 0 3 355.439 -0.738 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@@H]1O ZINC001220576769 845306906 /nfs/dbraw/zinc/30/69/06/845306906.db2.gz PHRYZIDVODSSQT-NEPJUHHUSA-N 0 3 356.496 -0.393 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)no2)C[C@@H]1O ZINC001220576775 845306648 /nfs/dbraw/zinc/30/66/48/845306648.db2.gz QAEFGGVBILNZII-OLZOCXBDSA-N 0 3 353.423 -0.575 20 0 FBADHN CCCn1c(C)nnc1CN1C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001220576780 845306119 /nfs/dbraw/zinc/30/61/19/845306119.db2.gz QDFLZQZXXVXYNG-CABCVRRESA-N 0 3 352.483 0.000 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@@H]1O ZINC001220576790 845306105 /nfs/dbraw/zinc/30/61/05/845306105.db2.gz QSHJVXQTSMBIHP-KGLIPLIRSA-N 0 3 350.467 -0.304 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220576865 845305775 /nfs/dbraw/zinc/30/57/75/845305775.db2.gz TXEZMQGMVZNPRT-CVEARBPZSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1O ZINC001220576915 845305961 /nfs/dbraw/zinc/30/59/61/845305961.db2.gz WBPJGZHFOMNHOY-MNOVXSKESA-N 0 3 354.373 -0.832 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1O ZINC001220576980 845306246 /nfs/dbraw/zinc/30/62/46/845306246.db2.gz YMVYBNJSOBCOGP-NEPJUHHUSA-N 0 3 355.464 -0.415 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)C[C@@H]1O ZINC001220576999 845307057 /nfs/dbraw/zinc/30/70/57/845307057.db2.gz ZCVHFQCLDFKEHL-UPJWGTAASA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nc([C@H](C)OC)no2)C[C@@H]1O ZINC001220577000 845306472 /nfs/dbraw/zinc/30/64/72/845306472.db2.gz ZCVHFQCLDFKEHL-XQQFMLRXSA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1O ZINC001220578439 845306842 /nfs/dbraw/zinc/30/68/42/845306842.db2.gz BRUJULDZJZDQIL-KGLIPLIRSA-N 0 3 350.467 -0.383 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2nc(C)cs2)C[C@@H]1O ZINC001220578445 845306704 /nfs/dbraw/zinc/30/67/04/845306704.db2.gz BZZKJMRIUNKXSN-OLZOCXBDSA-N 0 3 369.491 -0.107 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001220578460 845306632 /nfs/dbraw/zinc/30/66/32/845306632.db2.gz CVGXZTJXXANSQO-CVEARBPZSA-N 0 3 354.495 -0.108 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@@H]1O ZINC001220578463 845306770 /nfs/dbraw/zinc/30/67/70/845306770.db2.gz DAGMAMKRCZOCJE-CABCVRRESA-N 0 3 352.483 -0.063 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@@H]1O ZINC001220578554 845305912 /nfs/dbraw/zinc/30/59/12/845305912.db2.gz GWJNFHHFKGVVRX-OLZOCXBDSA-N 0 3 353.471 -0.569 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001220578603 845306153 /nfs/dbraw/zinc/30/61/53/845306153.db2.gz JQIOXOAMROPLME-OAGGEKHMSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001220578604 845306017 /nfs/dbraw/zinc/30/60/17/845306017.db2.gz JQIOXOAMROPLME-XHSDSOJGSA-N 0 3 354.495 -0.252 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc(C)n2C2CC2)C[C@@H]1O ZINC001220578671 845305880 /nfs/dbraw/zinc/30/58/80/845305880.db2.gz NHBDTPCPJCHUSR-CABCVRRESA-N 0 3 350.467 -0.075 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220578682 845306072 /nfs/dbraw/zinc/30/60/72/845306072.db2.gz NOKQPDCRDMOUDE-KGLIPLIRSA-N 0 3 357.499 -0.413 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(=O)Nc2nccs2)C[C@@H]1O ZINC001220578699 845306755 /nfs/dbraw/zinc/30/67/55/845306755.db2.gz OGDMIPXNFZMZCQ-UPJWGTAASA-N 0 3 369.491 -0.027 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)Nc2nccs2)C[C@@H]1O ZINC001220578700 845305897 /nfs/dbraw/zinc/30/58/97/845305897.db2.gz OGDMIPXNFZMZCQ-XQQFMLRXSA-N 0 3 369.491 -0.027 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnc(C(C)C)n2C)C[C@@H]1O ZINC001220578708 845308468 /nfs/dbraw/zinc/30/84/68/845308468.db2.gz OSWUCXYJKMEVHD-KGLIPLIRSA-N 0 3 352.483 -0.058 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001220578734 845308110 /nfs/dbraw/zinc/30/81/10/845308110.db2.gz QEZVEGXLBWPJNN-CABCVRRESA-N 0 3 351.451 -0.203 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@@H]1O ZINC001220578738 845308169 /nfs/dbraw/zinc/30/81/69/845308169.db2.gz QIARRPVIKQOWRI-CVEARBPZSA-N 0 3 350.467 -0.309 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@@H]1O ZINC001220578745 845308569 /nfs/dbraw/zinc/30/85/69/845308569.db2.gz QJXZJVLRJBZLCH-KGLIPLIRSA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@@H]1O ZINC001220578748 845307590 /nfs/dbraw/zinc/30/75/90/845307590.db2.gz QLMZINRZOXQVTI-NEPJUHHUSA-N 0 3 360.409 -0.454 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)on2)C[C@@H]1O ZINC001220578824 845308032 /nfs/dbraw/zinc/30/80/32/845308032.db2.gz SSBDBZFXXIIBMY-OLZOCXBDSA-N 0 3 353.423 -0.575 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220578882 845308053 /nfs/dbraw/zinc/30/80/53/845308053.db2.gz VNHGCQSDFKNQNT-KFWWJZLASA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220578883 845308067 /nfs/dbraw/zinc/30/80/67/845308067.db2.gz VNHGCQSDFKNQNT-ZNMIVQPWSA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1O ZINC001220578890 845308211 /nfs/dbraw/zinc/30/82/11/845308211.db2.gz VRBYJYJYRGIKIU-CABCVRRESA-N 0 3 352.435 -0.601 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001220578930 845308494 /nfs/dbraw/zinc/30/84/94/845308494.db2.gz XFDDLCSSZPYVSZ-CABCVRRESA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@@H]1O ZINC001220578937 845308598 /nfs/dbraw/zinc/30/85/98/845308598.db2.gz XOHWLLDZQNLZBA-NEPJUHHUSA-N 0 3 370.479 -0.712 20 0 FBADHN CNC(=O)CN1CCC(NC(=O)NCc2n[nH]c(CSC)n2)CC1 ZINC001220580433 845308332 /nfs/dbraw/zinc/30/83/32/845308332.db2.gz MLNFAORVECMJBV-UHFFFAOYSA-N 0 3 355.468 -0.323 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220582709 845307970 /nfs/dbraw/zinc/30/79/70/845307970.db2.gz AASFFAXPMDTZOB-KFWWJZLASA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001220582710 845308522 /nfs/dbraw/zinc/30/85/22/845308522.db2.gz AASFFAXPMDTZOB-ZNMIVQPWSA-N 0 3 361.508 -0.686 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@@H]1O ZINC001220582777 845308233 /nfs/dbraw/zinc/30/82/33/845308233.db2.gz DEXYKCAAAYZCJJ-KGLIPLIRSA-N 0 3 356.492 -0.279 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@@H]1O ZINC001220582787 845308621 /nfs/dbraw/zinc/30/86/21/845308621.db2.gz DSXYSHHBURHOOY-CABCVRRESA-N 0 3 352.435 -0.250 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@@H]1O ZINC001220582811 845308432 /nfs/dbraw/zinc/30/84/32/845308432.db2.gz FKROAPCIPVHRIS-OLZOCXBDSA-N 0 3 353.471 -0.569 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001220582925 845308389 /nfs/dbraw/zinc/30/83/89/845308389.db2.gz LBVXMIAAFAZRTO-KGLIPLIRSA-N 0 3 353.471 -0.524 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)c2nc(COC)no2)C[C@@H]1O ZINC001220583010 845308457 /nfs/dbraw/zinc/30/84/57/845308457.db2.gz NWOYDBZLIFMNHH-UPJWGTAASA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)c2nc(COC)no2)C[C@@H]1O ZINC001220583011 845308151 /nfs/dbraw/zinc/30/81/51/845308151.db2.gz NWOYDBZLIFMNHH-XQQFMLRXSA-N 0 3 355.439 -0.220 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220583015 845309236 /nfs/dbraw/zinc/30/92/36/845309236.db2.gz NXQVCTJRYPVHHW-ILXRZTDVSA-N 0 3 354.495 -0.111 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220583016 845310074 /nfs/dbraw/zinc/31/00/74/845310074.db2.gz NXQVCTJRYPVHHW-KFWWJZLASA-N 0 3 354.495 -0.111 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NCc2cccs2)C[C@@H]1O ZINC001220583020 845309377 /nfs/dbraw/zinc/30/93/77/845309377.db2.gz OAAIWTNXHQBLKC-CABCVRRESA-N 0 3 368.503 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CCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC001220852553 845413731 /nfs/dbraw/zinc/41/37/31/845413731.db2.gz NUONWXCDAQLWPR-CFVMTHIKSA-N 0 3 351.451 -0.273 20 0 FBADHN CCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC001220852554 845413584 /nfs/dbraw/zinc/41/35/84/845413584.db2.gz NUONWXCDAQLWPR-YUELXQCFSA-N 0 3 351.451 -0.273 20 0 FBADHN CCS(=O)(=O)CCCN1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC001220852638 845413261 /nfs/dbraw/zinc/41/32/61/845413261.db2.gz QHJHAAVTZSNQRQ-KGLIPLIRSA-N 0 3 358.464 -0.753 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@@H]1O ZINC001220852640 845413672 /nfs/dbraw/zinc/41/36/72/845413672.db2.gz QNYBXZBGLNSDMV-KGLIPLIRSA-N 0 3 351.451 -0.416 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1O ZINC001220852676 845413505 /nfs/dbraw/zinc/41/35/05/845413505.db2.gz SACRBZKPAFCJJC-MNOVXSKESA-N 0 3 363.340 -0.900 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@@H]1O ZINC001220852678 845414008 /nfs/dbraw/zinc/41/40/08/845414008.db2.gz SEMUGDMJJQWRMW-KGLIPLIRSA-N 0 3 370.475 -0.753 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220852729 845413429 /nfs/dbraw/zinc/41/34/29/845413429.db2.gz UXQOQWGAQDDMIP-CFVMTHIKSA-N 0 3 351.451 -0.417 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220852730 845413474 /nfs/dbraw/zinc/41/34/74/845413474.db2.gz UXQOQWGAQDDMIP-YUELXQCFSA-N 0 3 351.451 -0.417 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C(C)C)C[C@@H]1O ZINC001220852814 845413885 /nfs/dbraw/zinc/41/38/85/845413885.db2.gz YFFYMGSRTPVGFS-DFBGVHRSSA-N 0 3 351.451 -0.417 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]1O ZINC001220852815 845413699 /nfs/dbraw/zinc/41/36/99/845413699.db2.gz YFFYMGSRTPVGFS-GLQYFDAESA-N 0 3 351.451 -0.417 20 0 FBADHN CCC(CC)NC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC001220852849 845413903 /nfs/dbraw/zinc/41/39/03/845413903.db2.gz 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CCOCCCN1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220853795 845414724 /nfs/dbraw/zinc/41/47/24/845414724.db2.gz KLMRYJPEMKRJBW-VNHYZAJKSA-N 0 3 363.480 -0.954 20 0 FBADHN C[C@@]1(CC(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)CCS(=O)(=O)N1 ZINC001220853865 845415108 /nfs/dbraw/zinc/41/51/08/845415108.db2.gz LXLMYEMIPZETBQ-IPYPFGDCSA-N 0 3 365.471 -0.241 20 0 FBADHN C[C@]1(CC(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)CCS(=O)(=O)N1 ZINC001220853868 845415162 /nfs/dbraw/zinc/41/51/62/845415162.db2.gz LXLMYEMIPZETBQ-VNHYZAJKSA-N 0 3 365.471 -0.241 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220854415 845415049 /nfs/dbraw/zinc/41/50/49/845415049.db2.gz YXYDJMKUABVGTR-IPYPFGDCSA-N 0 3 363.480 -0.954 20 0 FBADHN COCCCCN1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220854416 845415213 /nfs/dbraw/zinc/41/52/13/845415213.db2.gz YXYDJMKUABVGTR-VNHYZAJKSA-N 0 3 363.480 -0.954 20 0 FBADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001220857155 845416313 /nfs/dbraw/zinc/41/63/13/845416313.db2.gz LLPMRFVPIKJCAR-KFWWJZLASA-N 0 3 356.467 -0.199 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCCOCC)C[C@@H]1O ZINC001220862566 845417673 /nfs/dbraw/zinc/41/76/73/845417673.db2.gz IRXLDEPMBCDEDV-KGLIPLIRSA-N 0 3 365.496 -0.706 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1O ZINC001220862684 845417587 /nfs/dbraw/zinc/41/75/87/845417587.db2.gz POLHGRGRDURODA-KGLIPLIRSA-N 0 3 365.496 -0.706 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CN(C[C@@H](CC)OC)C[C@@H]1O ZINC001220862699 845417187 /nfs/dbraw/zinc/41/71/87/845417187.db2.gz QNKGSLKAPLMFGZ-MCIONIFRSA-N 0 3 365.496 -0.708 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CN(C[C@H](CC)OC)C[C@@H]1O ZINC001220862700 845417691 /nfs/dbraw/zinc/41/76/91/845417691.db2.gz QNKGSLKAPLMFGZ-MJBXVCDLSA-N 0 3 365.496 -0.708 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@@H]1O ZINC001220862859 845418621 /nfs/dbraw/zinc/41/86/21/845418621.db2.gz ZBZIOEPCHCWXHM-UPJWGTAASA-N 0 3 353.460 -0.385 20 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ZINC001221091479 845504364 /nfs/dbraw/zinc/50/43/64/845504364.db2.gz OTYLWJABEROROW-PMPSAXMXSA-N 0 3 352.479 -0.359 20 0 FBADHN CCCCn1nnnc1CN1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001221091519 845503557 /nfs/dbraw/zinc/50/35/57/845503557.db2.gz PVYBFKXMTPEWOU-KGLIPLIRSA-N 0 3 353.471 -0.525 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001221091520 845503920 /nfs/dbraw/zinc/50/39/20/845503920.db2.gz PWAZDMMGFWMCEY-ILXRZTDVSA-N 0 3 354.495 -0.113 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001221091523 845503516 /nfs/dbraw/zinc/50/35/16/845503516.db2.gz PWAZDMMGFWMCEY-KFWWJZLASA-N 0 3 354.495 -0.113 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@@H]1O ZINC001221091690 845503235 /nfs/dbraw/zinc/50/32/35/845503235.db2.gz ULACBHDAJRTQFC-CABCVRRESA-N 0 3 363.524 -0.299 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O)N1CCCC1 ZINC001221091716 845503448 /nfs/dbraw/zinc/50/34/48/845503448.db2.gz 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CC(C)N(C)CC(=O)N[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001221093048 845502943 /nfs/dbraw/zinc/50/29/43/845502943.db2.gz AOQHESSXKCWJMI-KFWWJZLASA-N 0 3 361.508 -0.687 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001221093049 845504403 /nfs/dbraw/zinc/50/44/03/845504403.db2.gz AOQHESSXKCWJMI-ZNMIVQPWSA-N 0 3 361.508 -0.687 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001221093056 845504201 /nfs/dbraw/zinc/50/42/01/845504201.db2.gz BBNIXXYQPOFNCY-CVEARBPZSA-N 0 3 354.495 -0.110 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@@H]1O ZINC001221093077 845502773 /nfs/dbraw/zinc/50/27/73/845502773.db2.gz BOPGFIZDIXZXHK-NEPJUHHUSA-N 0 3 356.496 -0.394 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221093102 845503781 /nfs/dbraw/zinc/50/37/81/845503781.db2.gz BZVKJJRHBMHNCN-CVEARBPZSA-N 0 3 354.495 -0.254 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@@H]1O ZINC001221093111 845504077 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FBADHN CCO[C@H](CN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1)C1CC1 ZINC001221189903 845543801 /nfs/dbraw/zinc/54/38/01/845543801.db2.gz PUFLWKYZLUQCFM-OWCLPIDISA-N 0 3 351.451 -0.276 20 0 FBADHN CCO[C@@H](CN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1)C1CC1 ZINC001221189904 845543594 /nfs/dbraw/zinc/54/35/94/845543594.db2.gz PUFLWKYZLUQCFM-PMPSAXMXSA-N 0 3 351.451 -0.276 20 0 FBADHN Cn1cc(CCC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]2O)nn1 ZINC001221189948 845543496 /nfs/dbraw/zinc/54/34/96/845543496.db2.gz RZPFOUPZVCCLHD-OAGGEKHMSA-N 0 3 351.451 -0.132 20 0 FBADHN Cn1cc(CCC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@@H]2O)nn1 ZINC001221189949 845542967 /nfs/dbraw/zinc/54/29/67/845542967.db2.gz RZPFOUPZVCCLHD-XHSDSOJGSA-N 0 3 351.451 -0.132 20 0 FBADHN CO[C@H](CN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1)C1CCC1 ZINC001221190021 845542872 /nfs/dbraw/zinc/54/28/72/845542872.db2.gz VTYONUJKZLDBNK-OWCLPIDISA-N 0 3 351.451 -0.276 20 0 FBADHN CO[C@@H](CN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1)C1CCC1 ZINC001221190022 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351.382 -0.505 20 0 FBADHN COC(=O)[C@](C)(NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C(F)(F)F ZINC001221221774 845551630 /nfs/dbraw/zinc/55/16/30/845551630.db2.gz XHLJXDLZTWULFX-UPFKWVMWSA-N 0 3 369.340 -0.093 20 0 FBADHN COC(=O)[C@@](C)(NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C(F)(F)F ZINC001221221775 845552296 /nfs/dbraw/zinc/55/22/96/845552296.db2.gz XHLJXDLZTWULFX-UVPNAGLESA-N 0 3 369.340 -0.093 20 0 FBADHN CC(=O)NCC(=O)N1C[C@H]2CCN(C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221235684 845554074 /nfs/dbraw/zinc/55/40/74/845554074.db2.gz RIYYHTHBFBZEAE-FRRDWIJNSA-N 0 3 367.368 -0.405 20 0 FBADHN CC(=O)NCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221235685 845553626 /nfs/dbraw/zinc/55/36/26/845553626.db2.gz RIYYHTHBFBZEAE-JHJVBQTASA-N 0 3 367.368 -0.405 20 0 FBADHN COCCOC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001221240660 845554107 /nfs/dbraw/zinc/55/41/07/845554107.db2.gz WBDMVBSASBZNAH-QLFBSQMISA-N 0 3 356.419 -0.569 20 0 FBADHN 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845605152 /nfs/dbraw/zinc/60/51/52/845605152.db2.gz HSWBWZXAWZFYQI-RBSFLKMASA-N 0 3 352.439 -0.761 20 0 FBADHN O=C(Cn1ncnn1)N1C[C@H]2CCN(CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221555604 845604972 /nfs/dbraw/zinc/60/49/72/845604972.db2.gz OTZPVTOTEPGFOB-QLFBSQMISA-N 0 3 350.423 -0.599 20 0 FBADHN O=C(Cn1ncnn1)N1C[C@H]2CCN(CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001221555605 845604945 /nfs/dbraw/zinc/60/49/45/845604945.db2.gz OTZPVTOTEPGFOB-RBSFLKMASA-N 0 3 350.423 -0.599 20 0 FBADHN C[C@@H](O)CCCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001221560879 845605101 /nfs/dbraw/zinc/60/51/01/845605101.db2.gz MMTCHNVFKHWBBG-JHJVBQTASA-N 0 3 350.423 -0.929 20 0 FBADHN C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001221560880 845604208 /nfs/dbraw/zinc/60/42/08/845604208.db2.gz MMTCHNVFKHWBBG-YNEHKIRRSA-N 0 3 350.423 -0.929 20 0 FBADHN CCOCCCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001221561042 845604620 /nfs/dbraw/zinc/60/46/20/845604620.db2.gz VBOGPLSSLDFMHV-CHWSQXEVSA-N 0 3 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CC(C)COC[C@H](O)CN1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001221576432 845608341 /nfs/dbraw/zinc/60/83/41/845608341.db2.gz CSRSMMIYUMCRIP-BZUAXINKSA-N 0 3 351.451 -0.156 20 0 FBADHN CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001221576433 845608867 /nfs/dbraw/zinc/60/88/67/845608867.db2.gz CSRSMMIYUMCRIP-OWCLPIDISA-N 0 3 351.451 -0.156 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 ZINC001221587857 845610409 /nfs/dbraw/zinc/61/04/09/845610409.db2.gz LHPICHDBHDQVOC-FRRDWIJNSA-N 0 3 357.430 -0.606 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 ZINC001221587858 845610454 /nfs/dbraw/zinc/61/04/54/845610454.db2.gz LHPICHDBHDQVOC-JHJVBQTASA-N 0 3 357.430 -0.606 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1C[C@H]2CCN(CCc3ccnn3C)C[C@H]21 ZINC001221589621 845613290 /nfs/dbraw/zinc/61/32/90/845613290.db2.gz YQQFUOMAZQIXJX-UKRRQHHQSA-N 0 3 369.491 -0.565 20 0 FBADHN CN(CC(=O)N1C[C@H]2CCN(CCc3ccnn3C)C[C@H]21)S(C)(=O)=O ZINC001221590671 845613468 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845627479 /nfs/dbraw/zinc/62/74/79/845627479.db2.gz CTCJDUCPBVRXHF-JHJVBQTASA-N 0 3 353.467 -0.167 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@H]2CCN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001221654178 845627825 /nfs/dbraw/zinc/62/78/25/845627825.db2.gz CTCJDUCPBVRXHF-YNEHKIRRSA-N 0 3 353.467 -0.167 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N1C[C@H]2CCN(CCOC(C)C)C[C@H]21 ZINC001221654552 845628939 /nfs/dbraw/zinc/62/89/39/845628939.db2.gz OIWYAWULYLIODK-HUUCEWRRSA-N 0 3 354.451 -0.804 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@H]2CCN(CCNS(C)(=O)=O)C[C@H]21 ZINC001221657030 845629383 /nfs/dbraw/zinc/62/93/83/845629383.db2.gz GLZQHKHDNFRBEC-ZIAGYGMSSA-N 0 3 360.524 -0.201 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@H]2CCN(CC(=O)NC(=O)NC)C[C@H]21 ZINC001221657153 845628565 /nfs/dbraw/zinc/62/85/65/845628565.db2.gz MDJCAPGWRWIJSQ-CHWSQXEVSA-N 0 3 353.467 -0.295 20 0 FBADHN C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001221658942 845629446 /nfs/dbraw/zinc/62/94/46/845629446.db2.gz BYWOFJXPMMXCSA-ARFHVFGLSA-N 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ZINC001221674087 845633856 /nfs/dbraw/zinc/63/38/56/845633856.db2.gz UMOANIRLSGGJKA-ZIAGYGMSSA-N 0 3 350.419 -0.093 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001221677548 845635135 /nfs/dbraw/zinc/63/51/35/845635135.db2.gz SHQALJAWNCMQLI-HZSPNIEDSA-N 0 3 353.419 -0.935 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001221677549 845635436 /nfs/dbraw/zinc/63/54/36/845635436.db2.gz SHQALJAWNCMQLI-MGPQQGTHSA-N 0 3 353.419 -0.935 20 0 FBADHN COCCN(C)CCNC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001221689245 845636585 /nfs/dbraw/zinc/63/65/85/845636585.db2.gz GGSSVDSBVSFPOC-UHFFFAOYSA-N 0 3 370.475 -0.020 20 0 FBADHN COCCN(C)CCNC(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001221689674 845636284 /nfs/dbraw/zinc/63/62/84/845636284.db2.gz QSQMKOSDSMURDV-UHFFFAOYSA-N 0 3 362.496 -0.226 20 0 FBADHN COCCOC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3(COC)CC3)[C@@H]2C1 ZINC001221690387 845636642 /nfs/dbraw/zinc/63/66/42/845636642.db2.gz TZQYRQYKGCAJHY-BZUAXINKSA-N 0 3 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845638415 /nfs/dbraw/zinc/63/84/15/845638415.db2.gz DXCRFKNSXATING-ZIAGYGMSSA-N 0 3 362.496 -0.612 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001221714064 845639135 /nfs/dbraw/zinc/63/91/35/845639135.db2.gz MAKHGHLRLRCHPJ-HZSPNIEDSA-N 0 3 360.480 -0.858 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@H]2CCN(C[C@H]3CCCCO3)C[C@H]21 ZINC001221714065 845638483 /nfs/dbraw/zinc/63/84/83/845638483.db2.gz MAKHGHLRLRCHPJ-MGPQQGTHSA-N 0 3 360.480 -0.858 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221715186 845638600 /nfs/dbraw/zinc/63/86/00/845638600.db2.gz GBYBEKBPVFIYBR-HUUCEWRRSA-N 0 3 352.460 -0.227 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@H]2CCN(CCOC3CCC3)C[C@H]21 ZINC001221715339 845640841 /nfs/dbraw/zinc/64/08/41/845640841.db2.gz NNOLTPCJZMEFAG-TZMCWYRMSA-N 0 3 360.480 -0.858 20 0 FBADHN CNS(=O)(=O)NCC(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001221715412 845640478 /nfs/dbraw/zinc/64/04/78/845640478.db2.gz QOYHRSXTNFSZIU-HZPDHXFCSA-N 0 3 366.487 -0.184 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ZINC001221903399 845674929 /nfs/dbraw/zinc/67/49/29/845674929.db2.gz ILUDJIBPBNQHRB-RBSFLKMASA-N 0 3 350.419 -0.827 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1 ZINC001221904391 845676282 /nfs/dbraw/zinc/67/62/82/845676282.db2.gz OVJSYJJGWCUBKN-GRYCIOLGSA-N 0 3 367.368 -0.405 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1 ZINC001221904392 845675639 /nfs/dbraw/zinc/67/56/39/845675639.db2.gz OVJSYJJGWCUBKN-IJLUTSLNSA-N 0 3 367.368 -0.405 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@H]2CCN(CCC[C@@H](C)O)C[C@H]21 ZINC001221910690 845676293 /nfs/dbraw/zinc/67/62/93/845676293.db2.gz PUQSYUHYUPSYEJ-RBSFLKMASA-N 0 3 361.508 -0.038 20 0 FBADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@H]2CCN(CCC[C@H](C)O)C[C@H]21 ZINC001221910691 845676214 /nfs/dbraw/zinc/67/62/14/845676214.db2.gz PUQSYUHYUPSYEJ-RRFJBIMHSA-N 0 3 361.508 -0.038 20 0 FBADHN CCOCCN1CC[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001221917451 845677664 /nfs/dbraw/zinc/67/76/64/845677664.db2.gz 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ZINC001221933769 845680805 /nfs/dbraw/zinc/68/08/05/845680805.db2.gz NPUZXECYIKCTCC-RBSFLKMASA-N 0 3 351.451 -0.087 20 0 FBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001221936067 845681153 /nfs/dbraw/zinc/68/11/53/845681153.db2.gz VZTLCBDCPQRTLB-JHJVBQTASA-N 0 3 353.402 -0.930 20 0 FBADHN C[C@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)CN1CCN(C)CC1 ZINC001221943564 845681350 /nfs/dbraw/zinc/68/13/50/845681350.db2.gz PITZSGRQWABYQQ-CYBMUJFWSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)CN1CCN(C)CC1 ZINC001221943565 845680779 /nfs/dbraw/zinc/68/07/79/845680779.db2.gz PITZSGRQWABYQQ-ZDUSSCGKSA-N 0 3 361.512 -0.668 20 0 FBADHN C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001221944175 845680868 /nfs/dbraw/zinc/68/08/68/845680868.db2.gz CGFDOVPPCXLORY-BFHYXJOUSA-N 0 3 352.435 -0.426 20 0 FBADHN C[C@@H](O)CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001221944176 845681981 /nfs/dbraw/zinc/68/19/81/845681981.db2.gz 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COC[C@H](O)CN1CC[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 ZINC001221965059 845684394 /nfs/dbraw/zinc/68/43/94/845684394.db2.gz ZNIGEPLWWRARME-RBSFLKMASA-N 0 3 350.419 -0.908 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221968423 845686082 /nfs/dbraw/zinc/68/60/82/845686082.db2.gz NSAPWHOQQIEPAQ-ZIAGYGMSSA-N 0 3 353.467 -0.293 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001221968577 845685570 /nfs/dbraw/zinc/68/55/70/845685570.db2.gz SPQVNIGUUJEEOD-HZPDHXFCSA-N 0 3 352.479 -0.280 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001221972641 845685614 /nfs/dbraw/zinc/68/56/14/845685614.db2.gz BRAFEVWXWVPQJK-HUUCEWRRSA-N 0 3 360.524 -0.248 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(CCNS(=O)(=O)CC)C[C@H]21 ZINC001221972907 845685670 /nfs/dbraw/zinc/68/56/70/845685670.db2.gz OMJICBNYRNIMIQ-HUUCEWRRSA-N 0 3 360.524 -0.200 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221973013 845686037 /nfs/dbraw/zinc/68/60/37/845686037.db2.gz UZTOLSPYAKNKNM-ZIAGYGMSSA-N 0 3 351.451 -0.587 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221973866 845685918 /nfs/dbraw/zinc/68/59/18/845685918.db2.gz PDVYQJQSKRMKRC-BFHYXJOUSA-N 0 3 353.467 -0.295 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221973867 845686315 /nfs/dbraw/zinc/68/63/15/845686315.db2.gz PDVYQJQSKRMKRC-MGPQQGTHSA-N 0 3 353.467 -0.295 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(CC[C@@H]3CCOC3)C[C@H]21 ZINC001221987085 845687345 /nfs/dbraw/zinc/68/73/45/845687345.db2.gz ARRADTPPQQTRMA-RBSFLKMASA-N 0 3 359.492 -0.163 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(CC[C@H]3CCOC3)C[C@H]21 ZINC001221987086 845687384 /nfs/dbraw/zinc/68/73/84/845687384.db2.gz ARRADTPPQQTRMA-RRFJBIMHSA-N 0 3 359.492 -0.163 20 0 FBADHN Cc1nn(CC(=O)N2C[C@H]3CCN(CCC[C@@H](C)O)C[C@H]32)c(=O)n1C ZINC001221988881 845686780 /nfs/dbraw/zinc/68/67/80/845686780.db2.gz KFCPMBSRZGVJTA-BPLDGKMQSA-N 0 3 351.451 -0.416 20 0 FBADHN Cc1nn(CC(=O)N2C[C@H]3CCN(CCC[C@H](C)O)C[C@H]32)c(=O)n1C ZINC001221988882 845687360 /nfs/dbraw/zinc/68/73/60/845687360.db2.gz KFCPMBSRZGVJTA-NWANDNLSSA-N 0 3 351.451 -0.416 20 0 FBADHN Cc1nn(CC(=O)N2C[C@H]3CCN(CCOC(C)C)C[C@H]32)c(=O)n1C ZINC001221988894 845687166 /nfs/dbraw/zinc/68/71/66/845687166.db2.gz KNDPSVWRORZCGR-HUUCEWRRSA-N 0 3 351.451 -0.152 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(CC[C@@H]3CCCO3)C[C@H]21 ZINC001221989170 845688367 /nfs/dbraw/zinc/68/83/67/845688367.db2.gz YZFUFPJAIYYJIS-QLFBSQMISA-N 0 3 359.492 -0.020 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(CC[C@H]3CCCO3)C[C@H]21 ZINC001221989171 845688903 /nfs/dbraw/zinc/68/89/03/845688903.db2.gz YZFUFPJAIYYJIS-RBSFLKMASA-N 0 3 359.492 -0.020 20 0 FBADHN CCOCCN1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001221993656 845689032 /nfs/dbraw/zinc/68/90/32/845689032.db2.gz SICREZKFUYKBHS-CHWSQXEVSA-N 0 3 352.435 -0.114 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CNC(=O)c3ccco3)[C@@H]2C1 ZINC001221994833 845688507 /nfs/dbraw/zinc/68/85/07/845688507.db2.gz OKHLGBXNBFUVMF-HZSPNIEDSA-N 0 3 351.403 -0.451 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CNC(=O)c3ccco3)[C@@H]2C1 ZINC001221994834 845688043 /nfs/dbraw/zinc/68/80/43/845688043.db2.gz OKHLGBXNBFUVMF-MGPQQGTHSA-N 0 3 351.403 -0.451 20 0 FBADHN CC(C)COC[C@H](O)CN1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001222000525 845689927 /nfs/dbraw/zinc/68/99/27/845689927.db2.gz LZKYNSWZDBFVOR-BZUAXINKSA-N 0 3 351.451 -0.156 20 0 FBADHN CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001222000526 845689746 /nfs/dbraw/zinc/68/97/46/845689746.db2.gz LZKYNSWZDBFVOR-OWCLPIDISA-N 0 3 351.451 -0.156 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CN3CCCCCC3=O)[C@@H]2C1 ZINC001222001840 845689798 /nfs/dbraw/zinc/68/97/98/845689798.db2.gz CBLIQLIDGDXRRM-BZUAXINKSA-N 0 3 353.463 -0.071 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CN3CCCCCC3=O)[C@@H]2C1 ZINC001222001841 845690163 /nfs/dbraw/zinc/69/01/63/845690163.db2.gz CBLIQLIDGDXRRM-OWCLPIDISA-N 0 3 353.463 -0.071 20 0 FBADHN CC(C)OCCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001222001860 845690313 /nfs/dbraw/zinc/69/03/13/845690313.db2.gz DAVQGZJKEXRWQA-ZIAGYGMSSA-N 0 3 352.435 -0.114 20 0 FBADHN CC(C)OCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001222002099 845690028 /nfs/dbraw/zinc/69/00/28/845690028.db2.gz OWJWLVADDUEIKH-ZIAGYGMSSA-N 0 3 352.435 -0.162 20 0 FBADHN CCCCOCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001222002122 845689862 /nfs/dbraw/zinc/68/98/62/845689862.db2.gz QXIASPJZYKQMJI-ZIAGYGMSSA-N 0 3 352.435 -0.112 20 0 FBADHN CC(C)OCCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001222002123 845690013 /nfs/dbraw/zinc/69/00/13/845690013.db2.gz QXJCRWNCQTUJLE-HZSPNIEDSA-N 0 3 352.435 -0.068 20 0 FBADHN CC(C)OCCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001222002124 845690259 /nfs/dbraw/zinc/69/02/59/845690259.db2.gz QXJCRWNCQTUJLE-MGPQQGTHSA-N 0 3 352.435 -0.068 20 0 FBADHN C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001222002130 845690951 /nfs/dbraw/zinc/69/09/51/845690951.db2.gz RHKMXXKPFBNPHI-BFHYXJOUSA-N 0 3 352.435 -0.426 20 0 FBADHN C[C@@H](O)CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001222002131 845690996 /nfs/dbraw/zinc/69/09/96/845690996.db2.gz RHKMXXKPFBNPHI-MGPQQGTHSA-N 0 3 352.435 -0.426 20 0 FBADHN CN1CCN(CCCCNC(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC001222002450 845691553 /nfs/dbraw/zinc/69/15/53/845691553.db2.gz FCPFVDMJZNCXMG-AWEZNQCLSA-N 0 3 350.471 -0.295 20 0 FBADHN CN1CCN(CCCCNC(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC001222002451 845691299 /nfs/dbraw/zinc/69/12/99/845691299.db2.gz FCPFVDMJZNCXMG-CQSZACIVSA-N 0 3 350.471 -0.295 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC001222003147 845691693 /nfs/dbraw/zinc/69/16/93/845691693.db2.gz IHNKXNPUSQHKOT-QLFBSQMISA-N 0 3 354.451 -0.683 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC001222003148 845690936 /nfs/dbraw/zinc/69/09/36/845690936.db2.gz IHNKXNPUSQHKOT-RBSFLKMASA-N 0 3 354.451 -0.683 20 0 FBADHN CN1CCN(CCCCNC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001222003232 845691208 /nfs/dbraw/zinc/69/12/08/845691208.db2.gz WFVRKUJIQNSQTI-HUUCEWRRSA-N 0 3 353.467 -0.687 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)[C@@H]2C1 ZINC001222003503 845691146 /nfs/dbraw/zinc/69/11/46/845691146.db2.gz SYZALQLPVLJFJK-BRWVUGGUSA-N 0 3 353.463 -0.215 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)[C@@H]2C1 ZINC001222003504 845691660 /nfs/dbraw/zinc/69/16/60/845691660.db2.gz SYZALQLPVLJFJK-IXDOHACOSA-N 0 3 353.463 -0.215 20 0 FBADHN NC(=O)NCCC(=O)N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21 ZINC001222005569 845691316 /nfs/dbraw/zinc/69/13/16/845691316.db2.gz DJSHSOSFVPKDHD-ZIAGYGMSSA-N 0 3 351.451 -0.410 20 0 FBADHN CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005649 845691578 /nfs/dbraw/zinc/69/15/78/845691578.db2.gz IDQNTXCOYJOSEL-QLFBSQMISA-N 0 3 356.467 -0.389 20 0 FBADHN CC(C)COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005650 845691791 /nfs/dbraw/zinc/69/17/91/845691791.db2.gz IDQNTXCOYJOSEL-RBSFLKMASA-N 0 3 356.467 -0.389 20 0 FBADHN NC(=O)NCCC(=O)N1C[C@H]2CCN(CCCO[C@H]3CCOC3)C[C@H]21 ZINC001222005926 845692393 /nfs/dbraw/zinc/69/23/93/845692393.db2.gz WTZQKSMLPYRYCD-QLFBSQMISA-N 0 3 354.451 -0.227 20 0 FBADHN NC(=O)NCCC(=O)N1C[C@H]2CCN(CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001222005927 845693357 /nfs/dbraw/zinc/69/33/57/845693357.db2.gz WTZQKSMLPYRYCD-RBSFLKMASA-N 0 3 354.451 -0.227 20 0 FBADHN CO[C@@H](C)CN1CC[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001222007163 845693095 /nfs/dbraw/zinc/69/30/95/845693095.db2.gz HSVNBPGTALXZLR-BFHYXJOUSA-N 0 3 352.435 -0.114 20 0 FBADHN CO[C@H](C)CN1CC[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001222007164 845692456 /nfs/dbraw/zinc/69/24/56/845692456.db2.gz HSVNBPGTALXZLR-MGPQQGTHSA-N 0 3 352.435 -0.114 20 0 FBADHN COC[C@H](C)N1CC[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001222007471 845693212 /nfs/dbraw/zinc/69/32/12/845693212.db2.gz YSCNUAXZJXUOCY-BFHYXJOUSA-N 0 3 352.435 -0.114 20 0 FBADHN COC[C@@H](C)N1CC[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001222007472 845692871 /nfs/dbraw/zinc/69/28/71/845692871.db2.gz YSCNUAXZJXUOCY-MGPQQGTHSA-N 0 3 352.435 -0.114 20 0 FBADHN CCOCCN1CC[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001222007474 845692991 /nfs/dbraw/zinc/69/29/91/845692991.db2.gz YVIBDOZDBKCHNB-ZIAGYGMSSA-N 0 3 352.435 -0.112 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)Cn3c(C)csc3=O)[C@@H]2C1 ZINC001222008745 845692554 /nfs/dbraw/zinc/69/25/54/845692554.db2.gz KFYVKCKGKOJDHP-HZSPNIEDSA-N 0 3 355.460 -0.242 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)Cn3c(C)csc3=O)[C@@H]2C1 ZINC001222008746 845693191 /nfs/dbraw/zinc/69/31/91/845693191.db2.gz KFYVKCKGKOJDHP-MGPQQGTHSA-N 0 3 355.460 -0.242 20 0 FBADHN CN(CCN1CC[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]2C1)S(C)(=O)=O ZINC001222016383 845695101 /nfs/dbraw/zinc/69/51/01/845695101.db2.gz GHACOTAXMJRPFP-HUUCEWRRSA-N 0 3 358.508 -0.494 20 0 FBADHN C[C@H](CN1CCOCC1)C(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 ZINC001222018114 845694239 /nfs/dbraw/zinc/69/42/39/845694239.db2.gz NVOFLFLJHWAIQU-BRWVUGGUSA-N 0 3 355.479 -0.504 20 0 FBADHN C[C@@H](CN1CCOCC1)C(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 ZINC001222018115 845695158 /nfs/dbraw/zinc/69/51/58/845695158.db2.gz NVOFLFLJHWAIQU-GVDBMIGSSA-N 0 3 355.479 -0.504 20 0 FBADHN CCOC1CC(CN2CC[C@@H]3CN(C(=O)CS(=O)(=O)NC)[C@@H]3C2)C1 ZINC001222022453 845696172 /nfs/dbraw/zinc/69/61/72/845696172.db2.gz JVQALFCZUHWNOT-HXSCFSKGSA-N 0 3 359.492 -0.117 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CCN(C[C@H](OC)C3CCC3)C[C@H]21 ZINC001222024595 845697415 /nfs/dbraw/zinc/69/74/15/845697415.db2.gz HHVJMNQJQIVZEP-KFWWJZLASA-N 0 3 359.492 -0.117 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CCN(C[C@@H](OC)C3CCC3)C[C@H]21 ZINC001222024596 845697093 /nfs/dbraw/zinc/69/70/93/845697093.db2.gz HHVJMNQJQIVZEP-RBSFLKMASA-N 0 3 359.492 -0.117 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CCN(CCC[C@@H]3CCOC3)C[C@H]21 ZINC001222024753 845697401 /nfs/dbraw/zinc/69/74/01/845697401.db2.gz UAZULJKLKKHNHO-RBSFLKMASA-N 0 3 359.492 -0.115 20 0 FBADHN CNS(=O)(=O)CC(=O)N1C[C@H]2CCN(CCC[C@H]3CCOC3)C[C@H]21 ZINC001222024754 845696920 /nfs/dbraw/zinc/69/69/20/845696920.db2.gz UAZULJKLKKHNHO-RRFJBIMHSA-N 0 3 359.492 -0.115 20 0 FBADHN CCO[C@@H](CN1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)[C@@H]2C1)C1CC1 ZINC001222024813 845697037 /nfs/dbraw/zinc/69/70/37/845697037.db2.gz YINCBKCOJVDJOJ-KFWWJZLASA-N 0 3 359.492 -0.117 20 0 FBADHN CCO[C@H](CN1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)[C@@H]2C1)C1CC1 ZINC001222024814 845697164 /nfs/dbraw/zinc/69/71/64/845697164.db2.gz YINCBKCOJVDJOJ-RBSFLKMASA-N 0 3 359.492 -0.117 20 0 FBADHN CCN1CCO[C@@H](C(=O)N2C[C@H]3CCN(CCOCCOC)C[C@H]32)C1 ZINC001222034917 845700057 /nfs/dbraw/zinc/70/00/57/845700057.db2.gz NYEQICKPDSEMPP-BRWVUGGUSA-N 0 3 355.479 -0.097 20 0 FBADHN CCN1CCO[C@H](C(=O)N2C[C@H]3CCN(CCOCCOC)C[C@H]32)C1 ZINC001222034918 845700564 /nfs/dbraw/zinc/70/05/64/845700564.db2.gz NYEQICKPDSEMPP-ZACQAIPSSA-N 0 3 355.479 -0.097 20 0 FBADHN O=C(CNC(=O)NCc1ccco1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001222044288 845701969 /nfs/dbraw/zinc/70/19/69/845701969.db2.gz WFGGAMFDSBVUTK-UKRRQHHQSA-N 0 3 350.419 -0.006 20 0 FBADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)CNC(=O)NCc3ccco3)[C@@H]2C1 ZINC001222044310 845701690 /nfs/dbraw/zinc/70/16/90/845701690.db2.gz WZGDFGGHKWYZFH-GZBFAFLISA-N 0 3 350.419 -0.008 20 0 FBADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CNC(=O)NCc3ccco3)[C@@H]2C1 ZINC001222044311 845701597 /nfs/dbraw/zinc/70/15/97/845701597.db2.gz WZGDFGGHKWYZFH-UMVBOHGHSA-N 0 3 350.419 -0.008 20 0 FBADHN COCCCCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001222046667 845701899 /nfs/dbraw/zinc/70/18/99/845701899.db2.gz PKWVCUCGHUIBEQ-TZMCWYRMSA-N 0 3 350.423 -0.664 20 0 FBADHN CCOCCCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001222046688 845701639 /nfs/dbraw/zinc/70/16/39/845701639.db2.gz QNPQXBDIJRGSPX-TZMCWYRMSA-N 0 3 350.423 -0.664 20 0 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/nfs/dbraw/zinc/71/26/25/845712625.db2.gz MHDHUDRZXOKLDC-YUELXQCFSA-N 0 3 351.451 -0.541 20 0 FBADHN O=C(Cn1cnnn1)N1CC[C@H]2CCN(C[C@H](O)CC(F)(F)F)[C@H]2C1 ZINC001222235904 845712755 /nfs/dbraw/zinc/71/27/55/845712755.db2.gz QXRQLIMLZNONHI-UTUOFQBUSA-N 0 3 362.356 -0.091 20 0 FBADHN O=C(Cn1cnnn1)N1CC[C@H]2CCN(C[C@@H](O)CC(F)(F)F)[C@H]2C1 ZINC001222235905 845712385 /nfs/dbraw/zinc/71/23/85/845712385.db2.gz QXRQLIMLZNONHI-WOPDTQHZSA-N 0 3 362.356 -0.091 20 0 FBADHN NC(=O)NCC(=O)N1CC[C@H]2CCN(C[C@H](O)CC(F)(F)F)[C@H]2C1 ZINC001222251826 845714719 /nfs/dbraw/zinc/71/47/19/845714719.db2.gz LUMJESLAYKBPBS-MXWKQRLJSA-N 0 3 352.357 -0.109 20 0 FBADHN NC(=O)NCC(=O)N1CC[C@H]2CCN(C[C@@H](O)CC(F)(F)F)[C@H]2C1 ZINC001222251827 845714348 /nfs/dbraw/zinc/71/43/48/845714348.db2.gz LUMJESLAYKBPBS-VWYCJHECSA-N 0 3 352.357 -0.109 20 0 FBADHN Cc1noc(CCCN2CC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)n1 ZINC001222251884 845714261 /nfs/dbraw/zinc/71/42/61/845714261.db2.gz OZSWNLYZBZQJRS-OLZOCXBDSA-N 0 3 350.423 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FBADHN CC(C)(C)NC(=O)NCCN1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001222479216 845722037 /nfs/dbraw/zinc/72/20/37/845722037.db2.gz LJGYDZACTYGWQM-OLZOCXBDSA-N 0 3 353.467 -0.118 20 0 FBADHN CCS(=O)(=O)NCCCN1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001222479266 845721876 /nfs/dbraw/zinc/72/18/76/845721876.db2.gz NHUODYQNEYWBBQ-OLZOCXBDSA-N 0 3 360.480 -0.886 20 0 FBADHN CN(CCN1CC[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]21)S(C)(=O)=O ZINC001222484196 845721698 /nfs/dbraw/zinc/72/16/98/845721698.db2.gz MKSWPHSVDIBCNI-HIFRSBDPSA-N 0 3 369.491 -0.234 20 0 FBADHN CCS(=O)(=O)NCCN1CC[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]21 ZINC001222484206 845722566 /nfs/dbraw/zinc/72/25/66/845722566.db2.gz MTWGXUCYVZWUMG-HIFRSBDPSA-N 0 3 369.491 -0.186 20 0 FBADHN CS(=O)(=O)NCCN1CC[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]21 ZINC001222484524 845722228 /nfs/dbraw/zinc/72/22/28/845722228.db2.gz RCKQZKRIHGSBMP-OCCSQVGLSA-N 0 3 355.464 -0.576 20 0 FBADHN COCCOCCN1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001222489087 845722426 /nfs/dbraw/zinc/72/24/26/845722426.db2.gz KOGFUIGXNFRJHQ-IKGGRYGDSA-N 0 3 355.479 -0.097 20 0 FBADHN COCCOCCN1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001222489088 845721382 /nfs/dbraw/zinc/72/13/82/845721382.db2.gz KOGFUIGXNFRJHQ-IXDOHACOSA-N 0 3 355.479 -0.097 20 0 FBADHN CS(=O)(=O)NCCN1CC[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@@H]21 ZINC001222504512 845722325 /nfs/dbraw/zinc/72/23/25/845722325.db2.gz QDIBNCROZJORQU-OLZOCXBDSA-N 0 3 370.479 -0.791 20 0 FBADHN CCNC(=O)CC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001222567654 845724413 /nfs/dbraw/zinc/72/44/13/845724413.db2.gz LFPZFUACXHDIDH-KGLIPLIRSA-N 0 3 351.451 -0.539 20 0 FBADHN CCNC(=O)CC(=O)N1CC[C@H]2CCN(CCNC(=O)C3CC3)[C@H]2C1 ZINC001222572405 845723956 /nfs/dbraw/zinc/72/39/56/845723956.db2.gz CPDVMEMYVHHTHO-HIFRSBDPSA-N 0 3 350.463 -0.038 20 0 FBADHN CNC(=O)CC(=O)N1CC[C@H]2CCN(CCNC(=O)NC(C)C)[C@H]2C1 ZINC001222589002 845725790 /nfs/dbraw/zinc/72/57/90/845725790.db2.gz CYFVJPMQYKQZGA-KGLIPLIRSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)CC(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001222589032 845725715 /nfs/dbraw/zinc/72/57/15/845725715.db2.gz FFMWQQYPKYQFBQ-OLZOCXBDSA-N 0 3 350.419 -0.806 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H]2CCN(CCN3CCCC3=O)[C@H]2C1 ZINC001222594855 845725348 /nfs/dbraw/zinc/72/53/48/845725348.db2.gz XVYGERGTHDCKDW-MJBXVCDLSA-N 0 3 351.451 -0.412 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001222679553 845728882 /nfs/dbraw/zinc/72/88/82/845728882.db2.gz JFPMPULNIZOMAD-KGLIPLIRSA-N 0 3 370.479 -0.860 20 0 FBADHN O=C(Cn1ncnn1)N1CC[C@H]2CCN(C[C@H](O)CC(F)(F)F)[C@H]2C1 ZINC001222694339 845730080 /nfs/dbraw/zinc/73/00/80/845730080.db2.gz UFBTVAKTFOYDJO-UTUOFQBUSA-N 0 3 362.356 -0.091 20 0 FBADHN O=C(Cn1ncnn1)N1CC[C@H]2CCN(C[C@@H](O)CC(F)(F)F)[C@H]2C1 ZINC001222694341 845730424 /nfs/dbraw/zinc/73/04/24/845730424.db2.gz UFBTVAKTFOYDJO-WOPDTQHZSA-N 0 3 362.356 -0.091 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001222810697 845734256 /nfs/dbraw/zinc/73/42/56/845734256.db2.gz RGUNYRXTJCLTTF-KGLIPLIRSA-N 0 3 370.479 -0.860 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1)S(C)(=O)=O ZINC001222810720 845734622 /nfs/dbraw/zinc/73/46/22/845734622.db2.gz SPJICFBJRXINBB-KGLIPLIRSA-N 0 3 370.479 -0.908 20 0 FBADHN CS(=O)(=O)NCCC(=O)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001222810764 845734181 /nfs/dbraw/zinc/73/41/81/845734181.db2.gz VMVYJQWAYVVENM-KGLIPLIRSA-N 0 3 370.479 -0.860 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@H]2CCN(CCN3CCCC3=O)[C@H]2C1 ZINC001222839596 845736136 /nfs/dbraw/zinc/73/61/36/845736136.db2.gz RLISIFHJFKSPKI-KGLIPLIRSA-N 0 3 351.451 -0.539 20 0 FBADHN CS(=O)(=O)NCCN1CC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 ZINC001222849603 845737240 /nfs/dbraw/zinc/73/72/40/845737240.db2.gz YSJYZHORVJUVJP-HIFRSBDPSA-N 0 3 369.491 -0.186 20 0 FBADHN CN(C)[C@@H](C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1)C1CC1 ZINC001222892374 845737764 /nfs/dbraw/zinc/73/77/64/845737764.db2.gz MWXRVFPZIINIRW-OSAQELSMSA-N 0 3 351.451 -0.556 20 0 FBADHN CN(C)[C@H](C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1)C1CC1 ZINC001222892375 845738275 /nfs/dbraw/zinc/73/82/75/845738275.db2.gz MWXRVFPZIINIRW-ZLDLUXBVSA-N 0 3 351.451 -0.556 20 0 FBADHN CN(C)C1(C(=O)N2CC[C@H]3CCN(CC(=O)NC(N)=O)[C@H]3C2)CCC1 ZINC001222892397 845738402 /nfs/dbraw/zinc/73/84/02/845738402.db2.gz NEIBQPNCIWSMHH-OLZOCXBDSA-N 0 3 351.451 -0.412 20 0 FBADHN CN(CC(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1)C1CCC1 ZINC001222897476 845738069 /nfs/dbraw/zinc/73/80/69/845738069.db2.gz GSZAPZNFRZHHEQ-OCCSQVGLSA-N 0 3 351.451 -0.412 20 0 FBADHN O=C(c1cc2n(n1)CCO2)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222898489 845737607 /nfs/dbraw/zinc/73/76/07/845737607.db2.gz ZQNFSUTYHXESBO-HIFRSBDPSA-N 0 3 350.419 -0.179 20 0 FBADHN CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1)N(C)C ZINC001222930370 845738834 /nfs/dbraw/zinc/73/88/34/845738834.db2.gz YEFMRYSGMDLNHW-IPYPFGDCSA-N 0 3 353.467 -0.310 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H]2CCN(CC(=O)NC(=O)NC)[C@H]2C1)N(C)C ZINC001222959162 845740325 /nfs/dbraw/zinc/74/03/25/845740325.db2.gz OCEIISXEWPCYAX-MCIONIFRSA-N 0 3 353.467 -0.295 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H]2CCN(CCNS(C)(=O)=O)[C@H]2C1)N(C)C ZINC001222959225 845739939 /nfs/dbraw/zinc/73/99/39/845739939.db2.gz QTCTXHGIFWGBAN-KFWWJZLASA-N 0 3 360.524 -0.201 20 0 FBADHN C[C@@]1(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)CCNC(=O)C1 ZINC001222968476 845740386 /nfs/dbraw/zinc/74/03/86/845740386.db2.gz KRPQYSBIASHTEX-RVKKMQEKSA-N 0 3 353.463 -0.166 20 0 FBADHN C[C@]1(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)CCNC(=O)C1 ZINC001222968478 845739990 /nfs/dbraw/zinc/73/99/90/845739990.db2.gz KRPQYSBIASHTEX-VKJFTORMSA-N 0 3 353.463 -0.166 20 0 FBADHN CN1CCCC[C@@H]1C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 ZINC001222976310 845740380 /nfs/dbraw/zinc/74/03/80/845740380.db2.gz LCVOCEZIRKDCSO-MCIONIFRSA-N 0 3 351.451 -0.412 20 0 FBADHN CN1CCCC[C@H]1C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 ZINC001222976311 845740366 /nfs/dbraw/zinc/74/03/66/845740366.db2.gz LCVOCEZIRKDCSO-RDBSUJKOSA-N 0 3 351.451 -0.412 20 0 FBADHN CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]21 ZINC001223013535 845740888 /nfs/dbraw/zinc/74/08/88/845740888.db2.gz NMKKVEKANMHPBX-ILXRZTDVSA-N 0 3 356.442 -0.090 20 0 FBADHN CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]21 ZINC001223013538 845741247 /nfs/dbraw/zinc/74/12/47/845741247.db2.gz NMKKVEKANMHPBX-KFWWJZLASA-N 0 3 356.442 -0.090 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 ZINC001223023435 845742703 /nfs/dbraw/zinc/74/27/03/845742703.db2.gz KNEAAOVKVPNZJF-OLZOCXBDSA-N 0 3 353.467 -0.166 20 0 FBADHN COCCOCCN1CC[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 ZINC001223046268 845742650 /nfs/dbraw/zinc/74/26/50/845742650.db2.gz ISISCRZQYFOYRC-OLZOCXBDSA-N 0 3 363.405 -0.047 20 0 FBADHN CN(C)S(=O)(=O)CCCN1CC[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001223054082 845743823 /nfs/dbraw/zinc/74/38/23/845743823.db2.gz OOSRERWXINPCHM-OCCSQVGLSA-N 0 3 370.479 -0.377 20 0 FBADHN NC(=O)c1ccc(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)o1 ZINC001223079474 845745285 /nfs/dbraw/zinc/74/52/85/845745285.db2.gz KSHZGDFLEFJNQP-OLZOCXBDSA-N 0 3 351.403 -0.076 20 0 FBADHN COC[C@@H](O)CN1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 ZINC001223080219 845745383 /nfs/dbraw/zinc/74/53/83/845745383.db2.gz YBXGGLUQOIVGHH-AGIUHOORSA-N 0 3 351.403 -0.078 20 0 FBADHN COC[C@H](O)CN1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 ZINC001223080220 845745321 /nfs/dbraw/zinc/74/53/21/845745321.db2.gz YBXGGLUQOIVGHH-UPJWGTAASA-N 0 3 351.403 -0.078 20 0 FBADHN COc1cc(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)nn1C ZINC001223086084 845745257 /nfs/dbraw/zinc/74/52/57/845745257.db2.gz ZGIOIYBNXIJJKV-HIFRSBDPSA-N 0 3 352.435 -0.026 20 0 FBADHN Cc1cncn1CC(=O)N1CC[C@H]2CCN(CCNS(C)(=O)=O)[C@H]2C1 ZINC001223115968 845746433 /nfs/dbraw/zinc/74/64/33/845746433.db2.gz NKDMOVMMLBUGEY-CABCVRRESA-N 0 3 369.491 -0.336 20 0 FBADHN NC(=O)c1cc(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)co1 ZINC001223174342 845747234 /nfs/dbraw/zinc/74/72/34/845747234.db2.gz JMISZESFASOSJJ-OCCSQVGLSA-N 0 3 351.403 -0.076 20 0 FBADHN CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001223200334 845748793 /nfs/dbraw/zinc/74/87/93/845748793.db2.gz KHJKAHWYRRGADV-AGIUHOORSA-N 0 3 350.460 -0.289 20 0 FBADHN CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001223200336 845748340 /nfs/dbraw/zinc/74/83/40/845748340.db2.gz KHJKAHWYRRGADV-UPJWGTAASA-N 0 3 350.460 -0.289 20 0 FBADHN COC[C@@]1(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)CCOC1 ZINC001223207217 845749533 /nfs/dbraw/zinc/74/95/33/845749533.db2.gz BQWFIHMPQGPJBA-RYRKJORJSA-N 0 3 356.463 -0.029 20 0 FBADHN COC[C@]1(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)CCOC1 ZINC001223207221 845750457 /nfs/dbraw/zinc/75/04/57/845750457.db2.gz BQWFIHMPQGPJBA-SOLBZPMBSA-N 0 3 356.463 -0.029 20 0 FBADHN Cc1nn[nH]c1C(=O)N1CC[C@H]2CCN(CCN(C)S(C)(=O)=O)[C@H]2C1 ZINC001223239874 845751628 /nfs/dbraw/zinc/75/16/28/845751628.db2.gz QFKNUTZIFPVIDC-OLZOCXBDSA-N 0 3 370.479 -0.459 20 0 FBADHN Cc1nn[nH]c1C(=O)N1CC[C@H]2CCN(CCNS(C)(=O)=O)[C@H]2C1 ZINC001223240010 845751464 /nfs/dbraw/zinc/75/14/64/845751464.db2.gz RWLMLIQAFGYCFG-NEPJUHHUSA-N 0 3 356.452 -0.801 20 0 FBADHN COc1nn(C)cc1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001223245789 845751358 /nfs/dbraw/zinc/75/13/58/845751358.db2.gz HNHJBCNIANYPRD-HIFRSBDPSA-N 0 3 352.435 -0.026 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223265067 845752526 /nfs/dbraw/zinc/75/25/26/845752526.db2.gz SAVCROBZATXLAK-MCIONIFRSA-N 0 3 351.451 -0.554 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223265068 845752557 /nfs/dbraw/zinc/75/25/57/845752557.db2.gz SAVCROBZATXLAK-MJBXVCDLSA-N 0 3 351.451 -0.554 20 0 FBADHN C[C@@]1(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)CCC(=O)NC1 ZINC001223329643 845752509 /nfs/dbraw/zinc/75/25/09/845752509.db2.gz QSCJCUTYPXYMIF-RVKKMQEKSA-N 0 3 353.463 -0.166 20 0 FBADHN C[C@]1(C(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)CCC(=O)NC1 ZINC001223329644 845752673 /nfs/dbraw/zinc/75/26/73/845752673.db2.gz QSCJCUTYPXYMIF-VKJFTORMSA-N 0 3 353.463 -0.166 20 0 FBADHN Cn1cc(OCC(=O)N2CC[C@H]3CCN(CCOCCO)[C@H]3C2)cn1 ZINC001223362702 845754217 /nfs/dbraw/zinc/75/42/17/845754217.db2.gz VDRNFYUCGMAZMP-ZBFHGGJFSA-N 0 3 352.435 -0.269 20 0 FBADHN NS(=O)(=O)CCCC(=O)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001223393052 845756174 /nfs/dbraw/zinc/75/61/74/845756174.db2.gz JHWKHWAYULGFBL-KGLIPLIRSA-N 0 3 370.479 -0.730 20 0 FBADHN NC(=O)C(=O)N1CC[C@H]2CCN(C[C@H](O)COCc3ccco3)[C@H]2C1 ZINC001223400909 845755584 /nfs/dbraw/zinc/75/55/84/845755584.db2.gz CSTQLZVQBHXDCT-IPYPFGDCSA-N 0 3 351.403 -0.435 20 0 FBADHN NC(=O)C(=O)N1CC[C@H]2CCN(C[C@@H](O)COCc3ccco3)[C@H]2C1 ZINC001223400910 845755319 /nfs/dbraw/zinc/75/53/19/845755319.db2.gz CSTQLZVQBHXDCT-NFAWXSAZSA-N 0 3 351.403 -0.435 20 0 FBADHN NC(=O)C(=O)N1CC[C@H]2CCN(C[C@@H](O)COCC(F)(F)F)[C@H]2C1 ZINC001223401992 845755399 /nfs/dbraw/zinc/75/53/99/845755399.db2.gz URWWOAPEGGCGER-MXWKQRLJSA-N 0 3 353.341 -0.666 20 0 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/nfs/dbraw/zinc/77/48/55/845774855.db2.gz DIJIVOLRLQMMPE-UONOGXRCSA-N 0 3 362.496 -0.586 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC001224145819 845775227 /nfs/dbraw/zinc/77/52/27/845775227.db2.gz DIJIVOLRLQMMPE-ZIAGYGMSSA-N 0 3 362.496 -0.586 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@H]2CCN(CCOCC3CC3)[C@H]2C1 ZINC001224161982 845776035 /nfs/dbraw/zinc/77/60/35/845776035.db2.gz BUILRKKQTRDZIJ-CABCVRRESA-N 0 3 359.492 -0.115 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@H]2CCN(CCn3cccn3)[C@H]2C1 ZINC001224162039 845776582 /nfs/dbraw/zinc/77/65/82/845776582.db2.gz DPIZFNOWKMNASO-KGLIPLIRSA-N 0 3 355.464 -0.645 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@H]2CCN(CCOCCOC)[C@H]2C1 ZINC001224162438 845776209 /nfs/dbraw/zinc/77/62/09/845776209.db2.gz LDBDLFYTZKDELW-KGLIPLIRSA-N 0 3 363.480 -0.879 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@H]2CCN(CCc3ccnn3C)[C@H]2C1 ZINC001224162481 845775968 /nfs/dbraw/zinc/77/59/68/845775968.db2.gz NMJNSCYQWDFIHY-HIFRSBDPSA-N 0 3 369.491 -0.565 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@H]2CCN(CCc3cnn(C)c3)[C@H]2C1 ZINC001224163020 845777846 /nfs/dbraw/zinc/77/78/46/845777846.db2.gz ZEORCGMPEGOXOB-CABCVRRESA-N 0 3 369.491 -0.565 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001224227336 845778554 /nfs/dbraw/zinc/77/85/54/845778554.db2.gz IANBCKJZOIKBKK-KGLIPLIRSA-N 0 3 356.467 -0.374 20 0 FBADHN CCOCCN1CC[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001224233614 845778868 /nfs/dbraw/zinc/77/88/68/845778868.db2.gz VBOFSWKTGMLMTQ-OCCSQVGLSA-N 0 3 350.423 -0.664 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@H]2CCN(CCNS(C)(=O)=O)[C@H]2C1 ZINC001224245738 845779616 /nfs/dbraw/zinc/77/96/16/845779616.db2.gz BJRPIDJQSFWDQU-CABCVRRESA-N 0 3 360.524 -0.201 20 0 FBADHN CNC(=O)NC(=O)CN1CC[C@@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001224246018 845779925 /nfs/dbraw/zinc/77/99/25/845779925.db2.gz QNOPSKGDIFTEJZ-KGLIPLIRSA-N 0 3 353.467 -0.295 20 0 FBADHN NC(=O)CCCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001224315591 845782051 /nfs/dbraw/zinc/78/20/51/845782051.db2.gz XTIYKNVUBTVEIX-KGLIPLIRSA-N 0 3 351.451 -0.410 20 0 FBADHN CCCNC(=O)CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC ZINC001224363329 845784033 /nfs/dbraw/zinc/78/40/33/845784033.db2.gz WLUMECQJRCPOOV-ZIAGYGMSSA-N 0 3 356.467 -0.366 20 0 FBADHN COCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(=O)N1CCCC1 ZINC001224372495 845784195 /nfs/dbraw/zinc/78/41/95/845784195.db2.gz NMQLCBFBUQLYHW-ZIAGYGMSSA-N 0 3 354.451 -0.612 20 0 FBADHN CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001224373180 845783872 /nfs/dbraw/zinc/78/38/72/845783872.db2.gz YDUFDARBVRJVJQ-BFHYXJOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001224373183 845783949 /nfs/dbraw/zinc/78/39/49/845783949.db2.gz YDUFDARBVRJVJQ-MGPQQGTHSA-N 0 3 359.492 -0.036 20 0 FBADHN COCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)N[C@H](C)COC ZINC001224373240 845784208 /nfs/dbraw/zinc/78/42/08/845784208.db2.gz ZGMXZRTXMWPYFQ-JHJVBQTASA-N 0 3 358.439 -0.490 20 0 FBADHN COCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)N[C@@H](C)COC ZINC001224373243 845783923 /nfs/dbraw/zinc/78/39/23/845783923.db2.gz ZGMXZRTXMWPYFQ-YNEHKIRRSA-N 0 3 358.439 -0.490 20 0 FBADHN COCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001224383275 845784290 /nfs/dbraw/zinc/78/42/90/845784290.db2.gz DEZGEFYENNVDJO-BFHYXJOUSA-N 0 3 356.467 -0.367 20 0 FBADHN COCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC001224383285 845784003 /nfs/dbraw/zinc/78/40/03/845784003.db2.gz DEZGEFYENNVDJO-MGPQQGTHSA-N 0 3 356.467 -0.367 20 0 FBADHN CNC(=O)Cn1cc(NC(=O)CN[C@@H]2CCCC[C@H]2NC(C)=O)cn1 ZINC001224394356 845784299 /nfs/dbraw/zinc/78/42/99/845784299.db2.gz AVYGIGFACUSALS-ZIAGYGMSSA-N 0 3 350.423 -0.396 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C1CC1)NC[C@H]1CCS(=O)(=O)C1 ZINC001224394839 845784285 /nfs/dbraw/zinc/78/42/85/845784285.db2.gz NACSIXOFFZRGMK-BPLDGKMQSA-N 0 3 371.503 -0.036 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C1CC1)NC[C@@H]1CCS(=O)(=O)C1 ZINC001224394840 845784221 /nfs/dbraw/zinc/78/42/21/845784221.db2.gz NACSIXOFFZRGMK-NWANDNLSSA-N 0 3 371.503 -0.036 20 0 FBADHN COCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(=O)NC(C)(C)C ZINC001224403290 845784230 /nfs/dbraw/zinc/78/42/30/845784230.db2.gz AZQUXXVCKFGOMJ-CHWSQXEVSA-N 0 3 356.467 -0.319 20 0 FBADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001224532156 845786296 /nfs/dbraw/zinc/78/62/96/845786296.db2.gz HEEYPBMUXYFNRZ-GHMZBOCLSA-N 0 3 352.357 -0.182 20 0 FBADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001224533440 845786138 /nfs/dbraw/zinc/78/61/38/845786138.db2.gz UUKUCKDUNTXAIJ-HUUCEWRRSA-N 0 3 354.451 -0.565 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O ZINC001224533493 845786571 /nfs/dbraw/zinc/78/65/71/845786571.db2.gz YAPKLQYUTKRIGN-CHWSQXEVSA-N 0 3 355.439 -0.625 20 0 FBADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001224539190 845786326 /nfs/dbraw/zinc/78/63/26/845786326.db2.gz CJGIQENBZFNYCM-RBSFLKMASA-N 0 3 354.451 -0.565 20 0 FBADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001224539191 845786486 /nfs/dbraw/zinc/78/64/86/845786486.db2.gz CJGIQENBZFNYCM-RRFJBIMHSA-N 0 3 354.451 -0.565 20 0 FBADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001224540230 845786006 /nfs/dbraw/zinc/78/60/06/845786006.db2.gz RMOQXNYAFRLQRV-CHWSQXEVSA-N 0 3 353.423 -0.872 20 0 FBADHN CC(C)NC(=O)NCCN1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001224546522 845785852 /nfs/dbraw/zinc/78/58/52/845785852.db2.gz NVHMIFSTFGTNLY-KGLIPLIRSA-N 0 3 353.467 -0.356 20 0 FBADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001224547435 845787614 /nfs/dbraw/zinc/78/76/14/845787614.db2.gz UGQLVEBGHXBXHX-RBSFLKMASA-N 0 3 354.451 -0.708 20 0 FBADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001224547436 845787119 /nfs/dbraw/zinc/78/71/19/845787119.db2.gz UGQLVEBGHXBXHX-RRFJBIMHSA-N 0 3 354.451 -0.708 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1=COCCO1 ZINC001224594328 845788229 /nfs/dbraw/zinc/78/82/29/845788229.db2.gz PLDNDEYQYFOITM-VXGBXAGGSA-N 0 3 354.407 -0.263 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC001224612413 845788375 /nfs/dbraw/zinc/78/83/75/845788375.db2.gz AJZZASKAJPHLMY-NXEZZACHSA-N 0 3 350.379 -0.732 20 0 FBADHN CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001224638198 845789455 /nfs/dbraw/zinc/78/94/55/845789455.db2.gz IIULSROSLFOPKC-BFHYXJOUSA-N 0 3 356.467 -0.367 20 0 FBADHN CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC001224638199 845789473 /nfs/dbraw/zinc/78/94/73/845789473.db2.gz IIULSROSLFOPKC-MGPQQGTHSA-N 0 3 356.467 -0.367 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001224657757 845789294 /nfs/dbraw/zinc/78/92/94/845789294.db2.gz FIGMNKDSNQILPR-BPLDGKMQSA-N 0 3 356.467 -0.319 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001224657758 845789504 /nfs/dbraw/zinc/78/95/04/845789504.db2.gz FIGMNKDSNQILPR-NWANDNLSSA-N 0 3 356.467 -0.319 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001224658412 845789249 /nfs/dbraw/zinc/78/92/49/845789249.db2.gz QRSRSNUGLAUTCS-BPLDGKMQSA-N 0 3 356.467 -0.319 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001224658413 845789431 /nfs/dbraw/zinc/78/94/31/845789431.db2.gz QRSRSNUGLAUTCS-NWANDNLSSA-N 0 3 356.467 -0.319 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001224658543 845789627 /nfs/dbraw/zinc/78/96/27/845789627.db2.gz UVSSZCMLBXWVMK-CYZMBNFOSA-N 0 3 355.439 -0.626 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001224658544 845789341 /nfs/dbraw/zinc/78/93/41/845789341.db2.gz UVSSZCMLBXWVMK-RAIGVLPGSA-N 0 3 355.439 -0.626 20 0 FBADHN CSCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC001224668497 845789562 /nfs/dbraw/zinc/78/95/62/845789562.db2.gz KYELOIJNHVMPFV-JHJVBQTASA-N 0 3 358.508 -0.041 20 0 FBADHN CSCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001224668502 845789528 /nfs/dbraw/zinc/78/95/28/845789528.db2.gz KYELOIJNHVMPFV-YNEHKIRRSA-N 0 3 358.508 -0.041 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1=O ZINC001224688057 845789393 /nfs/dbraw/zinc/78/93/93/845789393.db2.gz YSUNCVDRLZDAPL-VXGBXAGGSA-N 0 3 353.423 -0.919 20 0 FBADHN CSCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001224694046 845790623 /nfs/dbraw/zinc/79/06/23/845790623.db2.gz FMCOXXHDFSFWGC-CHWSQXEVSA-N 0 3 356.492 -0.285 20 0 FBADHN CCC[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224704952 845790829 /nfs/dbraw/zinc/79/08/29/845790829.db2.gz AMBWESJGKJODMD-BFHYXJOUSA-N 0 3 351.455 -0.005 20 0 FBADHN CCC[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224704953 845790683 /nfs/dbraw/zinc/79/06/83/845790683.db2.gz AMBWESJGKJODMD-MGPQQGTHSA-N 0 3 351.455 -0.005 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1)NCC(F)(F)F ZINC001224705842 845790235 /nfs/dbraw/zinc/79/02/35/845790235.db2.gz LKNCXOGFGOQLSN-NXEZZACHSA-N 0 3 363.344 -0.631 20 0 FBADHN CC(C)(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224705895 845790397 /nfs/dbraw/zinc/79/03/97/845790397.db2.gz NFECCJQIFUORDO-CHWSQXEVSA-N 0 3 351.455 -0.148 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224705897 845790192 /nfs/dbraw/zinc/79/01/92/845790192.db2.gz NILCTRHFCJBSLG-ZIAGYGMSSA-N 0 3 351.455 -0.005 20 0 FBADHN CCC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224706287 845790335 /nfs/dbraw/zinc/79/03/35/845790335.db2.gz RPKBSGIQNXHCOQ-CHWSQXEVSA-N 0 3 351.455 -0.005 20 0 FBADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224706439 845790350 /nfs/dbraw/zinc/79/03/50/845790350.db2.gz WFEPCJREHRURHK-BFHYXJOUSA-N 0 3 351.455 -0.149 20 0 FBADHN CC(C)[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224706440 845790257 /nfs/dbraw/zinc/79/02/57/845790257.db2.gz WFEPCJREHRURHK-MGPQQGTHSA-N 0 3 351.455 -0.149 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1 ZINC001224715697 845790787 /nfs/dbraw/zinc/79/07/87/845790787.db2.gz BLRADSMJTIEMFM-CHWSQXEVSA-N 0 3 350.423 -0.104 20 0 FBADHN NC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001224725393 845791499 /nfs/dbraw/zinc/79/14/99/845791499.db2.gz SIPYKGFCOFAFEG-RKDXNWHRSA-N 0 3 353.345 -0.650 20 0 FBADHN NC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccco1 ZINC001224732146 845791573 /nfs/dbraw/zinc/79/15/73/845791573.db2.gz FKEPISAWVPPJCG-CHWSQXEVSA-N 0 3 351.407 -0.419 20 0 FBADHN COc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)CNC(N)=O)c(C)n1 ZINC001224732656 845791836 /nfs/dbraw/zinc/79/18/36/845791836.db2.gz SUFIRIVWFLLJNZ-CHWSQXEVSA-N 0 3 350.423 -0.021 20 0 FBADHN CN(C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O)c1nccs1 ZINC001224740757 845791793 /nfs/dbraw/zinc/79/17/93/845791793.db2.gz PWGWNQDFTKBHOQ-GHMZBOCLSA-N 0 3 368.463 -0.209 20 0 FBADHN COc1coc(CN[C@@H]2CCCC[C@H]2NC(=O)CNC(N)=O)cc1=O ZINC001224740791 845791855 /nfs/dbraw/zinc/79/18/55/845791855.db2.gz RBVUBOZWLHKEGM-VXGBXAGGSA-N 0 3 352.391 -0.166 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1snnc1C ZINC001224740796 845791445 /nfs/dbraw/zinc/79/14/45/845791445.db2.gz RHOUSIZIPVAALG-NXEZZACHSA-N 0 3 354.436 -0.067 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cccn1 ZINC001224758224 845792512 /nfs/dbraw/zinc/79/25/12/845792512.db2.gz XOPDFVJAIDKYPC-CHWSQXEVSA-N 0 3 350.423 -0.254 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1C ZINC001224780530 845792636 /nfs/dbraw/zinc/79/26/36/845792636.db2.gz MBRWHNYUSGKCCI-CHWSQXEVSA-N 0 3 350.423 -0.185 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cncn1 ZINC001224834052 845793573 /nfs/dbraw/zinc/79/35/73/845793573.db2.gz COGJYZVKNKGEMT-VXGBXAGGSA-N 0 3 351.411 -0.859 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cccn1 ZINC001224848229 845793565 /nfs/dbraw/zinc/79/35/65/845793565.db2.gz MKOCVNGMNKDIFN-CHWSQXEVSA-N 0 3 350.423 -0.254 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1 ZINC001224890664 845794505 /nfs/dbraw/zinc/79/45/05/845794505.db2.gz AZTLFRRTYYLPGA-JHJVBQTASA-N 0 3 356.423 -0.736 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001224890666 845794650 /nfs/dbraw/zinc/79/46/50/845794650.db2.gz AZTLFRRTYYLPGA-UPJWGTAASA-N 0 3 356.423 -0.736 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001224891343 845794573 /nfs/dbraw/zinc/79/45/73/845794573.db2.gz NTCBLDYFVWPMGB-KFWWJZLASA-N 0 3 357.451 -0.429 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1 ZINC001224891344 845794893 /nfs/dbraw/zinc/79/48/93/845794893.db2.gz NTCBLDYFVWPMGB-RBSFLKMASA-N 0 3 357.451 -0.429 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)=O ZINC001224922926 845795792 /nfs/dbraw/zinc/79/57/92/845795792.db2.gz MWMIGZUJLFDMQC-CHWSQXEVSA-N 0 3 355.439 -0.673 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)=O ZINC001224923142 845795895 /nfs/dbraw/zinc/79/58/95/845795895.db2.gz PCZZUDJVKAOMTC-HUUCEWRRSA-N 0 3 356.467 -0.366 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)=O ZINC001224923863 845795646 /nfs/dbraw/zinc/79/56/46/845795646.db2.gz WJEYUABGCQUMOD-HUUCEWRRSA-N 0 3 356.467 -0.366 20 0 FBADHN COCCN1CCC(NC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC001224927829 845795818 /nfs/dbraw/zinc/79/58/18/845795818.db2.gz HZFXLHJPWYDJOT-OLZOCXBDSA-N 0 3 362.496 -0.337 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1cccn1 ZINC001224951258 845795575 /nfs/dbraw/zinc/79/55/75/845795575.db2.gz PTVYUSYZLWDOIX-JHJVBQTASA-N 0 3 350.423 -0.083 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1cccn1 ZINC001224951259 845796048 /nfs/dbraw/zinc/79/60/48/845796048.db2.gz PTVYUSYZLWDOIX-YNEHKIRRSA-N 0 3 350.423 -0.083 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001224968422 845795543 /nfs/dbraw/zinc/79/55/43/845795543.db2.gz MCFPTTKLGQXJFZ-KFWWJZLASA-N 0 3 357.451 -0.429 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1 ZINC001224968424 845796073 /nfs/dbraw/zinc/79/60/73/845796073.db2.gz MCFPTTKLGQXJFZ-RBSFLKMASA-N 0 3 357.451 -0.429 20 0 FBADHN CS[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001224978478 845796523 /nfs/dbraw/zinc/79/65/23/845796523.db2.gz SUIJDOTVZZAQJY-JHJVBQTASA-N 0 3 356.492 -0.287 20 0 FBADHN CS[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001224978481 845796492 /nfs/dbraw/zinc/79/64/92/845796492.db2.gz SUIJDOTVZZAQJY-YNEHKIRRSA-N 0 3 356.492 -0.287 20 0 FBADHN CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001224993751 845796555 /nfs/dbraw/zinc/79/65/55/845796555.db2.gz KBVYXVRAUBBFOG-BFHYXJOUSA-N 0 3 354.451 -0.613 20 0 FBADHN CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001224993752 845796665 /nfs/dbraw/zinc/79/66/65/845796665.db2.gz KBVYXVRAUBBFOG-MGPQQGTHSA-N 0 3 354.451 -0.613 20 0 FBADHN COCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225043286 845797275 /nfs/dbraw/zinc/79/72/75/845797275.db2.gz ZQKFQLOQCCXQDT-ZIAGYGMSSA-N 0 3 354.451 -0.612 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)OC ZINC001225084177 845798356 /nfs/dbraw/zinc/79/83/56/845798356.db2.gz PHCYGOLGNHPQSM-GHMZBOCLSA-N 0 3 357.411 -0.795 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)OC ZINC001225084518 845798501 /nfs/dbraw/zinc/79/85/01/845798501.db2.gz URXCPSQLVXCJFK-CHWSQXEVSA-N 0 3 358.439 -0.488 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)OC ZINC001225084833 845798489 /nfs/dbraw/zinc/79/84/89/845798489.db2.gz YSZFPXYMWYNYTG-CHWSQXEVSA-N 0 3 358.439 -0.488 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n(C)n1 ZINC001225091189 845798577 /nfs/dbraw/zinc/79/85/77/845798577.db2.gz RTHPUYIJFCWLIG-VXGBXAGGSA-N 0 3 350.423 -0.185 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nn1C ZINC001225104850 845798263 /nfs/dbraw/zinc/79/82/63/845798263.db2.gz RIBZHAMLQHCTKY-VXGBXAGGSA-N 0 3 350.423 -0.185 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001225105360 845799197 /nfs/dbraw/zinc/79/91/97/845799197.db2.gz WPJYFTZBARQVGF-CHWSQXEVSA-N 0 3 350.423 -0.336 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(C)(=O)=O)C1CC1 ZINC001225139395 845799204 /nfs/dbraw/zinc/79/92/04/845799204.db2.gz FKIHHZPFTIKXQH-IACUBPJLSA-N 0 3 359.492 -0.037 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(C)(=O)=O)C1CC1 ZINC001225139396 845799405 /nfs/dbraw/zinc/79/94/05/845799405.db2.gz FKIHHZPFTIKXQH-MRVWCRGKSA-N 0 3 359.492 -0.037 20 0 FBADHN CCCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001225147672 845800116 /nfs/dbraw/zinc/80/01/16/845800116.db2.gz ZZJANCSVPFIHFS-VXGBXAGGSA-N 0 3 355.439 -0.625 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(C)(=O)=O ZINC001225159293 845800096 /nfs/dbraw/zinc/80/00/96/845800096.db2.gz FLRDQAPETPDKNY-CHWSQXEVSA-N 0 3 363.480 -0.799 20 0 FBADHN CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CCC1 ZINC001225159416 845800209 /nfs/dbraw/zinc/80/02/09/845800209.db2.gz GHROJRPEHKMGKT-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccco1 ZINC001225159446 845800200 /nfs/dbraw/zinc/80/02/00/845800200.db2.gz HPCBYHCPBVPDPY-ZIAGYGMSSA-N 0 3 371.459 -0.043 20 0 FBADHN CN(CC1CC1)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(C)(=O)=O ZINC001225160346 845800225 /nfs/dbraw/zinc/80/02/25/845800225.db2.gz XNMCQBRWOSXFDL-ZIAGYGMSSA-N 0 3 359.492 -0.084 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(C)(=O)=O ZINC001225160380 845799943 /nfs/dbraw/zinc/79/99/43/845799943.db2.gz ZLXKSZOHQXNSCO-CHWSQXEVSA-N 0 3 363.480 -0.799 20 0 FBADHN O=C(CC(F)(F)F)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225185335 845800961 /nfs/dbraw/zinc/80/09/61/845800961.db2.gz COCFZHHATMABMT-GHMZBOCLSA-N 0 3 364.368 -0.086 20 0 FBADHN CC(C)OCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225195134 845801301 /nfs/dbraw/zinc/80/13/01/845801301.db2.gz IKGJTUXSBBQEPV-ZIAGYGMSSA-N 0 3 354.451 -0.613 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C ZINC001225201767 845801211 /nfs/dbraw/zinc/80/12/11/845801211.db2.gz JATRNLICFQGISX-VXGBXAGGSA-N 0 3 350.423 -0.104 20 0 FBADHN CCCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225218882 845801147 /nfs/dbraw/zinc/80/11/47/845801147.db2.gz UZHNZTWIIACTFC-ZIAGYGMSSA-N 0 3 354.451 -0.612 20 0 FBADHN CC[C@H](OC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225254022 845801259 /nfs/dbraw/zinc/80/12/59/845801259.db2.gz NVEKSJIPHKTLRE-MCIONIFRSA-N 0 3 354.451 -0.613 20 0 FBADHN CC[C@@H](OC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225254023 845801192 /nfs/dbraw/zinc/80/11/92/845801192.db2.gz NVEKSJIPHKTLRE-MGPQQGTHSA-N 0 3 354.451 -0.613 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001225275993 845800851 /nfs/dbraw/zinc/80/08/51/845800851.db2.gz XLHNNSSRYKJGEE-CHWSQXEVSA-N 0 3 350.423 -0.565 20 0 FBADHN CO[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225300573 845801023 /nfs/dbraw/zinc/80/10/23/845801023.db2.gz DUQYPOYDIMUJIQ-BFHYXJOUSA-N 0 3 354.451 -0.613 20 0 FBADHN CO[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225300574 845800911 /nfs/dbraw/zinc/80/09/11/845800911.db2.gz DUQYPOYDIMUJIQ-MGPQQGTHSA-N 0 3 354.451 -0.613 20 0 FBADHN CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225315100 845801315 /nfs/dbraw/zinc/80/13/15/845801315.db2.gz JHFFUBSYXNIBKH-ZIAGYGMSSA-N 0 3 354.451 -0.612 20 0 FBADHN CCNC(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001225328650 845801229 /nfs/dbraw/zinc/80/12/29/845801229.db2.gz IGPLZAYWSODBHG-VXGBXAGGSA-N 0 3 355.439 -0.625 20 0 FBADHN COC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225335627 845800932 /nfs/dbraw/zinc/80/09/32/845800932.db2.gz HLZKQWSSPOBSMQ-BFHYXJOUSA-N 0 3 354.451 -0.756 20 0 FBADHN COC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225335628 845800818 /nfs/dbraw/zinc/80/08/18/845800818.db2.gz HLZKQWSSPOBSMQ-MGPQQGTHSA-N 0 3 354.451 -0.756 20 0 FBADHN CSC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225379155 845802334 /nfs/dbraw/zinc/80/23/34/845802334.db2.gz XZVOAONUDDDQHX-BFHYXJOUSA-N 0 3 370.519 -0.039 20 0 FBADHN CSC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225379159 845802038 /nfs/dbraw/zinc/80/20/38/845802038.db2.gz XZVOAONUDDDQHX-MGPQQGTHSA-N 0 3 370.519 -0.039 20 0 FBADHN CCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001225386945 845802057 /nfs/dbraw/zinc/80/20/57/845802057.db2.gz IWOPGLMZBNNAOA-ZIAGYGMSSA-N 0 3 356.467 -0.318 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CC ZINC001225387260 845802224 /nfs/dbraw/zinc/80/22/24/845802224.db2.gz NCGBVQRRHOTXJS-ZIAGYGMSSA-N 0 3 356.467 -0.318 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CC ZINC001225387545 845802318 /nfs/dbraw/zinc/80/23/18/845802318.db2.gz QBAFYOXTMRIIQS-VXGBXAGGSA-N 0 3 355.439 -0.625 20 0 FBADHN CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)cn1 ZINC001225417020 845801816 /nfs/dbraw/zinc/80/18/16/845801816.db2.gz YPEQQXGLJHDRHF-CHWSQXEVSA-N 0 3 350.423 -0.011 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCCOC ZINC001225433478 845803375 /nfs/dbraw/zinc/80/33/75/845803375.db2.gz AVBCFMSJIGQKAW-HUUCEWRRSA-N 0 3 359.467 -0.181 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCCOC ZINC001225434172 845803390 /nfs/dbraw/zinc/80/33/90/845803390.db2.gz PPIGUQIASQUBPA-CHWSQXEVSA-N 0 3 358.439 -0.488 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1C ZINC001225434298 845803246 /nfs/dbraw/zinc/80/32/46/845803246.db2.gz UABPPSJNWYRHAK-CHWSQXEVSA-N 0 3 350.423 -0.185 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCCOC ZINC001225434389 845803342 /nfs/dbraw/zinc/80/33/42/845803342.db2.gz VGXSLHNWHUFYTI-HUUCEWRRSA-N 0 3 359.467 -0.181 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C)on1 ZINC001225441255 845803177 /nfs/dbraw/zinc/80/31/77/845803177.db2.gz YRBWAYJYJUGUDO-CHWSQXEVSA-N 0 3 351.407 -0.002 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001225478293 845803230 /nfs/dbraw/zinc/80/32/30/845803230.db2.gz RQKXESSYBOKXCD-CHWSQXEVSA-N 0 3 350.423 -0.185 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)c1C ZINC001225483074 845804405 /nfs/dbraw/zinc/80/44/05/845804405.db2.gz CRNONHAYINVOOP-GHMZBOCLSA-N 0 3 351.411 -0.790 20 0 FBADHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225491247 845804098 /nfs/dbraw/zinc/80/40/98/845804098.db2.gz BSVNAVPDVMSRGZ-VXGBXAGGSA-N 0 3 355.439 -0.639 20 0 FBADHN CN(C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O)c1nccs1 ZINC001225492002 845804343 /nfs/dbraw/zinc/80/43/43/845804343.db2.gz HKLIYKQIQMWXHJ-GHMZBOCLSA-N 0 3 353.448 -0.002 20 0 FBADHN CC(C)(C)NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225493863 845804145 /nfs/dbraw/zinc/80/41/45/845804145.db2.gz ZDHPUXIXBOPFEA-GHMZBOCLSA-N 0 3 355.439 -0.497 20 0 FBADHN Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225500368 845804448 /nfs/dbraw/zinc/80/44/48/845804448.db2.gz BVTVMYWFAKPBPR-VXGBXAGGSA-N 0 3 350.423 -0.143 20 0 FBADHN CCCCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225501631 845804487 /nfs/dbraw/zinc/80/44/87/845804487.db2.gz SYFDTTXZCYGDIC-VXGBXAGGSA-N 0 3 355.439 -0.495 20 0 FBADHN CC(C)OCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225501790 845803873 /nfs/dbraw/zinc/80/38/73/845803873.db2.gz WVGAIOXFBUAMIP-ZIAGYGMSSA-N 0 3 356.467 -0.190 20 0 FBADHN Cc1cc(NC(=O)CN[C@@H]2CCCC[C@H]2NC(=O)CC(N)=O)n(C)n1 ZINC001225501792 845804279 /nfs/dbraw/zinc/80/42/79/845804279.db2.gz WVLFLOCZKLOUIT-VXGBXAGGSA-N 0 3 350.423 -0.441 20 0 FBADHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1nnc[n-]1)C(=O)NC(N)=O ZINC001225592239 845805265 /nfs/dbraw/zinc/80/52/65/845805265.db2.gz HIZNNGSVIISAAS-GMTAPVOTSA-N 0 3 351.411 -0.662 20 0 FBADHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1nnc[n-]1)C(=O)NC(N)=O ZINC001225592241 845805519 /nfs/dbraw/zinc/80/55/19/845805519.db2.gz HIZNNGSVIISAAS-HBNTYKKESA-N 0 3 351.411 -0.662 20 0 FBADHN CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1nnc[n-]1 ZINC001225607124 845806533 /nfs/dbraw/zinc/80/65/33/845806533.db2.gz OFZDDJRQJQTQAY-GHMZBOCLSA-N 0 3 351.411 -0.790 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)cn1 ZINC001225661264 845806132 /nfs/dbraw/zinc/80/61/32/845806132.db2.gz AYMRFDCHZPKDOK-VXGBXAGGSA-N 0 3 350.423 -0.104 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1COC(=O)C1 ZINC001225661633 845806089 /nfs/dbraw/zinc/80/60/89/845806089.db2.gz GKKUYWFMWLLLGH-IJLUTSLNSA-N 0 3 354.407 -0.588 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1COC(=O)C1 ZINC001225661636 845806400 /nfs/dbraw/zinc/80/64/00/845806400.db2.gz GKKUYWFMWLLLGH-QJPTWQEYSA-N 0 3 354.407 -0.588 20 0 FBADHN CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1 ZINC001225707281 845807212 /nfs/dbraw/zinc/80/72/12/845807212.db2.gz GBGKTAQXSBZFGK-BZUAXINKSA-N 0 3 352.479 -0.140 20 0 FBADHN CN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1 ZINC001225707283 845807347 /nfs/dbraw/zinc/80/73/47/845807347.db2.gz GBGKTAQXSBZFGK-OAGGEKHMSA-N 0 3 352.479 -0.140 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1cncn1 ZINC001225717387 845807304 /nfs/dbraw/zinc/80/73/04/845807304.db2.gz BOPIPGWQSDIKHG-IJLUTSLNSA-N 0 3 351.411 -0.688 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1cncn1 ZINC001225717389 845807158 /nfs/dbraw/zinc/80/71/58/845807158.db2.gz BOPIPGWQSDIKHG-QJPTWQEYSA-N 0 3 351.411 -0.688 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1)NCC1CC1 ZINC001225732603 845807187 /nfs/dbraw/zinc/80/71/87/845807187.db2.gz FUGKVHOYOJPBBI-HZPDHXFCSA-N 0 3 352.479 -0.138 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)no1 ZINC001225742012 845807163 /nfs/dbraw/zinc/80/71/63/845807163.db2.gz ODPIIMTZHZYGDJ-NXEZZACHSA-N 0 3 353.379 -0.231 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001225742215 845807147 /nfs/dbraw/zinc/80/71/47/845807147.db2.gz SCRQSZRPCNVPOR-CHWSQXEVSA-N 0 3 352.439 -0.227 20 0 FBADHN CC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001225761105 845808446 /nfs/dbraw/zinc/80/84/46/845808446.db2.gz FQZKXONDKXHPTA-VXGBXAGGSA-N 0 3 352.439 -0.085 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O)NCC1CC1 ZINC001225761536 845808337 /nfs/dbraw/zinc/80/83/37/845808337.db2.gz PKFBYIOIDOXTFP-CHWSQXEVSA-N 0 3 350.423 -0.473 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001225761793 845809056 /nfs/dbraw/zinc/80/90/56/845809056.db2.gz WTOTVKKLFPTRHO-CHWSQXEVSA-N 0 3 352.439 -0.083 20 0 FBADHN CC[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001225761825 845808709 /nfs/dbraw/zinc/80/87/09/845808709.db2.gz XZOKBTOQFQULLA-JHJVBQTASA-N 0 3 352.439 -0.085 20 0 FBADHN CC[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001225761826 845809083 /nfs/dbraw/zinc/80/90/83/845809083.db2.gz XZOKBTOQFQULLA-YNEHKIRRSA-N 0 3 352.439 -0.085 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1N ZINC001225789318 845810103 /nfs/dbraw/zinc/81/01/03/845810103.db2.gz RISNVAAWMSNQPT-GHMZBOCLSA-N 0 3 351.411 -0.912 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOCC ZINC001225795738 845809895 /nfs/dbraw/zinc/80/98/95/845809895.db2.gz KUEAAJRACSWJOE-ZIAGYGMSSA-N 0 3 356.467 -0.318 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001225795896 845809625 /nfs/dbraw/zinc/80/96/25/845809625.db2.gz OBLHRLAWAHLBSH-ZIAGYGMSSA-N 0 3 356.467 -0.318 20 0 FBADHN CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC ZINC001225796306 845810052 /nfs/dbraw/zinc/81/00/52/845810052.db2.gz VLHCEOXZIYFPPD-VXGBXAGGSA-N 0 3 355.439 -0.625 20 0 FBADHN CNC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001225803313 845810082 /nfs/dbraw/zinc/81/00/82/845810082.db2.gz QZTLYDNIKFGZLP-VXGBXAGGSA-N 0 3 355.439 -0.625 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(CC(N)=O)CC1 ZINC001225845521 845811622 /nfs/dbraw/zinc/81/16/22/845811622.db2.gz ANRMMGLZYIUOBT-CYBMUJFWSA-N 0 3 353.467 -0.116 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(CC(N)=O)CC1 ZINC001225845522 845811564 /nfs/dbraw/zinc/81/15/64/845811564.db2.gz ANRMMGLZYIUOBT-ZDUSSCGKSA-N 0 3 353.467 -0.116 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001225845759 845812042 /nfs/dbraw/zinc/81/20/42/845812042.db2.gz NFVVOXDTHVYLHX-ZIAGYGMSSA-N 0 3 354.451 -0.565 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001225845792 845811502 /nfs/dbraw/zinc/81/15/02/845811502.db2.gz NNBAPSSMUXAOLS-NXEZZACHSA-N 0 3 352.357 -0.182 20 0 FBADHN CCn1nccc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001225846056 845811831 /nfs/dbraw/zinc/81/18/31/845811831.db2.gz OZEVREYWSAJEHU-VXGBXAGGSA-N 0 3 350.423 -0.011 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC ZINC001225852560 845811883 /nfs/dbraw/zinc/81/18/83/845811883.db2.gz DJXWSCAOZKXBEG-VXGBXAGGSA-N 0 3 355.439 -0.625 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001225852686 845811927 /nfs/dbraw/zinc/81/19/27/845811927.db2.gz GYENASVKAXDXKU-BFHYXJOUSA-N 0 3 354.451 -0.565 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001225852688 845811845 /nfs/dbraw/zinc/81/18/45/845811845.db2.gz GYENASVKAXDXKU-MGPQQGTHSA-N 0 3 354.451 -0.565 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001225852692 845812055 /nfs/dbraw/zinc/81/20/55/845812055.db2.gz HEICESXOTXUCBG-VXGBXAGGSA-N 0 3 353.423 -0.872 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC1OCCCO1 ZINC001225853409 845811484 /nfs/dbraw/zinc/81/14/84/845811484.db2.gz WQYSCZSCGIBBRF-VXGBXAGGSA-N 0 3 356.423 -0.388 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001225861158 845811681 /nfs/dbraw/zinc/81/16/81/845811681.db2.gz NGIQBSDZHXUCFV-BFHYXJOUSA-N 0 3 354.451 -0.708 20 0 FBADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001225861159 845811734 /nfs/dbraw/zinc/81/17/34/845811734.db2.gz NGIQBSDZHXUCFV-MGPQQGTHSA-N 0 3 354.451 -0.708 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001225868591 845813251 /nfs/dbraw/zinc/81/32/51/845813251.db2.gz FTVWXKUDIVMCKW-YNEHKIRRSA-N 0 3 357.455 -0.787 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001225868733 845812970 /nfs/dbraw/zinc/81/29/70/845812970.db2.gz IREFSJIQKALZDG-YNEHKIRRSA-N 0 3 357.455 -0.787 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CCC1 ZINC001225869717 845812699 /nfs/dbraw/zinc/81/26/99/845812699.db2.gz SZRPHMUQXTYRHQ-IACUBPJLSA-N 0 3 353.467 -0.024 20 0 FBADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001225870235 845812936 /nfs/dbraw/zinc/81/29/36/845812936.db2.gz YVMVCWGZXKCSID-IVZWLZJFSA-N 0 3 367.372 -0.261 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001225875320 845812814 /nfs/dbraw/zinc/81/28/14/845812814.db2.gz FOEHAHZEEGKYFY-NXEZZACHSA-N 0 3 353.379 -0.936 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1ccnn1 ZINC001225891465 845812676 /nfs/dbraw/zinc/81/26/76/845812676.db2.gz OJOTWLMHVBCEAT-VXGBXAGGSA-N 0 3 351.411 -0.859 20 0 FBADHN CCn1ccnc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001225905238 845813278 /nfs/dbraw/zinc/81/32/78/845813278.db2.gz GYILSJLGWGTHOX-VXGBXAGGSA-N 0 3 350.423 -0.011 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccnn1C ZINC001225912307 845813322 /nfs/dbraw/zinc/81/33/22/845813322.db2.gz HCYCUYBZFWXTRK-CHWSQXEVSA-N 0 3 350.423 -0.565 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnnn1C ZINC001225952940 845812842 /nfs/dbraw/zinc/81/28/42/845812842.db2.gz DADVIRPVMIJTFK-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnnn1C ZINC001225954483 845814510 /nfs/dbraw/zinc/81/45/10/845814510.db2.gz VILACNTZHSIFBG-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnnn1C ZINC001225954884 845813927 /nfs/dbraw/zinc/81/39/27/845813927.db2.gz ZUWHJRWZTQLLJB-GHMZBOCLSA-N 0 3 351.411 -0.709 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001225968941 845814265 /nfs/dbraw/zinc/81/42/65/845814265.db2.gz BSLACODBROEKBK-JHJVBQTASA-N 0 3 356.423 -0.736 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001225968946 845814552 /nfs/dbraw/zinc/81/45/52/845814552.db2.gz BSLACODBROEKBK-UPJWGTAASA-N 0 3 356.423 -0.736 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1)NCC(F)(F)F ZINC001225976058 845814675 /nfs/dbraw/zinc/81/46/75/845814675.db2.gz GFYRZJXGENMGMF-BBBLOLIVSA-N 0 3 366.340 -0.210 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1)NCC(F)(F)F ZINC001225976065 845814293 /nfs/dbraw/zinc/81/42/93/845814293.db2.gz GFYRZJXGENMGMF-OPRDCNLKSA-N 0 3 366.340 -0.210 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001225977074 845814590 /nfs/dbraw/zinc/81/45/90/845814590.db2.gz PBUIAXXABULBKE-JHJVBQTASA-N 0 3 356.423 -0.736 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001225977076 845814218 /nfs/dbraw/zinc/81/42/18/845814218.db2.gz PBUIAXXABULBKE-UPJWGTAASA-N 0 3 356.423 -0.736 20 0 FBADHN CC(C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225986665 845813828 /nfs/dbraw/zinc/81/38/28/845813828.db2.gz MNLJBAJPCNNPII-CHWSQXEVSA-N 0 3 354.451 -0.877 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncn(C)n1 ZINC001226010962 845815172 /nfs/dbraw/zinc/81/51/72/845815172.db2.gz BNCWTHIMDOWHDZ-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nn1 ZINC001226011339 845815500 /nfs/dbraw/zinc/81/55/00/845815500.db2.gz JIYQZAIWYZFJNT-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncn(C)n1 ZINC001226011792 845815521 /nfs/dbraw/zinc/81/55/21/845815521.db2.gz RZFJPONSSGDQCP-GHMZBOCLSA-N 0 3 351.411 -0.709 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nn1 ZINC001226011921 845815644 /nfs/dbraw/zinc/81/56/44/845815644.db2.gz WTCLCQVGSPQVTE-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncn(C)n1 ZINC001226011947 845815316 /nfs/dbraw/zinc/81/53/16/845815316.db2.gz XIZURYZGFJWWNO-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nn1 ZINC001226011977 845815692 /nfs/dbraw/zinc/81/56/92/845815692.db2.gz YKYNUEBAFKUXGR-GHMZBOCLSA-N 0 3 351.411 -0.709 20 0 FBADHN CCn1ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)n1 ZINC001226020096 845815073 /nfs/dbraw/zinc/81/50/73/845815073.db2.gz SSWPUEURWIDNLZ-GHMZBOCLSA-N 0 3 351.411 -0.616 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1nnc(C)o1 ZINC001226020536 845815725 /nfs/dbraw/zinc/81/57/25/845815725.db2.gz ZKSARWWBBUBRNJ-GHMZBOCLSA-N 0 3 352.395 -0.607 20 0 FBADHN CCn1nncc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001226036522 845816538 /nfs/dbraw/zinc/81/65/38/845816538.db2.gz QAEQJRYZWTZORC-GHMZBOCLSA-N 0 3 351.411 -0.616 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1 ZINC001226042231 845816476 /nfs/dbraw/zinc/81/64/76/845816476.db2.gz HEXRUJSWLFSPRW-ZIAGYGMSSA-N 0 3 353.467 -0.151 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)cc1C ZINC001226111694 845817781 /nfs/dbraw/zinc/81/77/81/845817781.db2.gz OAUAZGFWOLRWHQ-VXGBXAGGSA-N 0 3 350.423 -0.185 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccn(C)n1 ZINC001226112133 845817987 /nfs/dbraw/zinc/81/79/87/845817987.db2.gz WMHSMTUIELCBPL-CHWSQXEVSA-N 0 3 350.423 -0.565 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CCOC)nn1 ZINC001226152060 845817721 /nfs/dbraw/zinc/81/77/21/845817721.db2.gz BDBANYZQVITOCJ-CHWSQXEVSA-N 0 3 352.439 -0.309 20 0 FBADHN COCCN(C)CCNC(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001226155872 845818857 /nfs/dbraw/zinc/81/88/57/845818857.db2.gz VSHZWUZNMISOMC-UHFFFAOYSA-N 0 3 358.483 -0.255 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC001226178392 845818817 /nfs/dbraw/zinc/81/88/17/845818817.db2.gz OHPQGWYPVJDHPV-ZIAGYGMSSA-N 0 3 353.467 -0.055 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001226197023 845819122 /nfs/dbraw/zinc/81/91/22/845819122.db2.gz ACEJCMDNHXGJID-CHWSQXEVSA-N 0 3 362.496 -0.533 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001226197141 845818878 /nfs/dbraw/zinc/81/88/78/845818878.db2.gz DGXKHJMTHBRMCM-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001226197671 845819826 /nfs/dbraw/zinc/81/98/26/845819826.db2.gz JXZVZQMXUZDRIY-CHWSQXEVSA-N 0 3 360.480 -0.779 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)NC ZINC001226197789 845819873 /nfs/dbraw/zinc/81/98/73/845819873.db2.gz MYFLFZPTWGONQU-CHWSQXEVSA-N 0 3 362.496 -0.531 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001226197842 845820159 /nfs/dbraw/zinc/82/01/59/845820159.db2.gz NOKHLVGVDZHEJO-CHWSQXEVSA-N 0 3 358.468 -0.729 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001226197914 845819929 /nfs/dbraw/zinc/81/99/29/845819929.db2.gz PHCIPPNXQCGOMY-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001226197982 845819677 /nfs/dbraw/zinc/81/96/77/845819677.db2.gz QZLMQRHTIUFBRG-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001226206314 845819540 /nfs/dbraw/zinc/81/95/40/845819540.db2.gz MXOHJXFKRYMLQH-VXGBXAGGSA-N 0 3 358.468 -0.431 20 0 FBADHN C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1)NC(N)=O ZINC001226214241 845820024 /nfs/dbraw/zinc/82/00/24/845820024.db2.gz KVRICTVHUGDLSY-IACUBPJLSA-N 0 3 353.467 -0.024 20 0 FBADHN C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1)NC(N)=O ZINC001226214245 845819786 /nfs/dbraw/zinc/81/97/86/845819786.db2.gz KVRICTVHUGDLSY-MRVWCRGKSA-N 0 3 353.467 -0.024 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CO[C@@H]1CCOC1 ZINC001226226750 845820108 /nfs/dbraw/zinc/82/01/08/845820108.db2.gz BBGPLGWRPQJMRH-JHJVBQTASA-N 0 3 356.423 -0.736 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CO[C@H]1CCOC1 ZINC001226226752 845819490 /nfs/dbraw/zinc/81/94/90/845819490.db2.gz BBGPLGWRPQJMRH-YNEHKIRRSA-N 0 3 356.423 -0.736 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001226251825 845821111 /nfs/dbraw/zinc/82/11/11/845821111.db2.gz ZZOSAXMZHLNXFM-CHWSQXEVSA-N 0 3 359.492 -0.036 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOCC(F)F ZINC001226283019 845820946 /nfs/dbraw/zinc/82/09/46/845820946.db2.gz ADQMFTYCMDVZIU-NXEZZACHSA-N 0 3 350.366 -0.130 20 0 FBADHN Cn1ncc(Cl)c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226283090 845821099 /nfs/dbraw/zinc/82/10/99/845821099.db2.gz BDTZUVBTRIUIDT-NXEZZACHSA-N 0 3 356.814 -0.101 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226283655 845820664 /nfs/dbraw/zinc/82/06/64/845820664.db2.gz HDWCPBAKZCOGRG-ZIAGYGMSSA-N 0 3 351.455 -0.005 20 0 FBADHN CC(C)(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226283985 845820736 /nfs/dbraw/zinc/82/07/36/845820736.db2.gz LHIJXTOOOTWGKQ-CHWSQXEVSA-N 0 3 351.455 -0.148 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)ncn1 ZINC001226284127 845821077 /nfs/dbraw/zinc/82/10/77/845821077.db2.gz PXSIPFRPOVQXHV-NXEZZACHSA-N 0 3 350.379 -0.689 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001226284174 845821057 /nfs/dbraw/zinc/82/10/57/845821057.db2.gz RMCSVKGDGCWRIF-VXGBXAGGSA-N 0 3 352.435 -0.466 20 0 FBADHN CCC[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226284336 845821858 /nfs/dbraw/zinc/82/18/58/845821858.db2.gz UUMUCQIGISEOJQ-BFHYXJOUSA-N 0 3 351.455 -0.005 20 0 FBADHN CCC[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226284337 845821629 /nfs/dbraw/zinc/82/16/29/845821629.db2.gz UUMUCQIGISEOJQ-MGPQQGTHSA-N 0 3 351.455 -0.005 20 0 FBADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226288209 845821682 /nfs/dbraw/zinc/82/16/82/845821682.db2.gz DOSIPWIQUSKDMG-BFHYXJOUSA-N 0 3 351.455 -0.149 20 0 FBADHN CC(C)[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226288211 845821782 /nfs/dbraw/zinc/82/17/82/845821782.db2.gz DOSIPWIQUSKDMG-MGPQQGTHSA-N 0 3 351.455 -0.149 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1)NCC(F)(F)F ZINC001226288612 845821879 /nfs/dbraw/zinc/82/18/79/845821879.db2.gz MCXIMNDIXPIMGR-NXEZZACHSA-N 0 3 363.344 -0.631 20 0 FBADHN CCC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226288673 845822102 /nfs/dbraw/zinc/82/21/02/845822102.db2.gz MSZZWRZQESRMEG-CHWSQXEVSA-N 0 3 351.455 -0.005 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001226310834 845821921 /nfs/dbraw/zinc/82/19/21/845821921.db2.gz QKYKVWNDORZVJJ-DDHJBXDOSA-N 0 3 353.423 -0.887 20 0 FBADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001226310895 845822700 /nfs/dbraw/zinc/82/27/00/845822700.db2.gz SHUIZQWDXUIXJJ-AAVRWANBSA-N 0 3 359.492 -0.037 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)sn1 ZINC001226315775 845823044 /nfs/dbraw/zinc/82/30/44/845823044.db2.gz FKRBHZIARIEARG-RKDXNWHRSA-N 0 3 355.420 -0.023 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)c1ccnn1C ZINC001226315801 845822613 /nfs/dbraw/zinc/82/26/13/845822613.db2.gz GDCVMMJDBFSTBF-IJLUTSLNSA-N 0 3 350.423 -0.265 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)c1ccnn1C ZINC001226315806 845823122 /nfs/dbraw/zinc/82/31/22/845823122.db2.gz GDCVMMJDBFSTBF-QJPTWQEYSA-N 0 3 350.423 -0.265 20 0 FBADHN CCn1ccc(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001226341103 845822976 /nfs/dbraw/zinc/82/29/76/845822976.db2.gz JTQRNBGJLAEMLD-CHWSQXEVSA-N 0 3 350.423 -0.343 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001226342523 845822662 /nfs/dbraw/zinc/82/26/62/845822662.db2.gz VVGBNJIGFJJDIW-ZBYUQBLASA-N 0 3 352.435 -0.114 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001226382746 845824022 /nfs/dbraw/zinc/82/40/22/845824022.db2.gz GRQMOXKYFMQPRI-JHJVBQTASA-N 0 3 362.496 -0.533 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)CC ZINC001226382747 845823778 /nfs/dbraw/zinc/82/37/78/845823778.db2.gz GRQMOXKYFMQPRI-YNEHKIRRSA-N 0 3 362.496 -0.533 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226400276 845824196 /nfs/dbraw/zinc/82/41/96/845824196.db2.gz DDSHYZNKCOADRY-JHJVBQTASA-N 0 3 363.480 -0.801 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226400279 845823916 /nfs/dbraw/zinc/82/39/16/845823916.db2.gz DDSHYZNKCOADRY-YNEHKIRRSA-N 0 3 363.480 -0.801 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001226400311 845824305 /nfs/dbraw/zinc/82/43/05/845824305.db2.gz FCPSSZAOTCMCRY-IACUBPJLSA-N 0 3 354.451 -0.567 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001226400313 845823886 /nfs/dbraw/zinc/82/38/86/845823886.db2.gz FCPSSZAOTCMCRY-MRVWCRGKSA-N 0 3 354.451 -0.567 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001226400314 845824072 /nfs/dbraw/zinc/82/40/72/845824072.db2.gz FGJOAWRJEAWJCN-CYZMBNFOSA-N 0 3 352.439 -0.219 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001226400317 845824356 /nfs/dbraw/zinc/82/43/56/845824356.db2.gz FGJOAWRJEAWJCN-RAIGVLPGSA-N 0 3 352.439 -0.219 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(=O)COC ZINC001226400635 845824252 /nfs/dbraw/zinc/82/42/52/845824252.db2.gz JAPOJSDILVBQCL-BFHYXJOUSA-N 0 3 356.467 -0.319 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)COC ZINC001226400637 845824334 /nfs/dbraw/zinc/82/43/34/845824334.db2.gz JAPOJSDILVBQCL-MGPQQGTHSA-N 0 3 356.467 -0.319 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001226401623 845823993 /nfs/dbraw/zinc/82/39/93/845823993.db2.gz UZLPVBKGXCMWAI-IACUBPJLSA-N 0 3 352.439 -0.517 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001226401625 845823945 /nfs/dbraw/zinc/82/39/45/845823945.db2.gz UZLPVBKGXCMWAI-MRVWCRGKSA-N 0 3 352.439 -0.517 20 0 FBADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001226401687 845824320 /nfs/dbraw/zinc/82/43/20/845824320.db2.gz VNIHOPHHUSGSQB-BFHYXJOUSA-N 0 3 356.467 -0.321 20 0 FBADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001226401697 845823840 /nfs/dbraw/zinc/82/38/40/845823840.db2.gz VNIHOPHHUSGSQB-MGPQQGTHSA-N 0 3 356.467 -0.321 20 0 FBADHN CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001226411713 845825145 /nfs/dbraw/zinc/82/51/45/845825145.db2.gz UKAYXMKLWOSGEE-IJLUTSLNSA-N 0 3 355.439 -0.626 20 0 FBADHN CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001226411714 845825234 /nfs/dbraw/zinc/82/52/34/845825234.db2.gz UKAYXMKLWOSGEE-QJPTWQEYSA-N 0 3 355.439 -0.626 20 0 FBADHN C[C@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226421061 845825300 /nfs/dbraw/zinc/82/53/00/845825300.db2.gz URCMBWBNEPQVGV-IVZWLZJFSA-N 0 3 352.357 -0.054 20 0 FBADHN C[C@@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226421063 845825366 /nfs/dbraw/zinc/82/53/66/845825366.db2.gz URCMBWBNEPQVGV-OPRDCNLKSA-N 0 3 352.357 -0.054 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001226421731 845824931 /nfs/dbraw/zinc/82/49/31/845824931.db2.gz ZFLSVHURSZXDDW-VXGBXAGGSA-N 0 3 351.455 -0.266 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226426957 845825041 /nfs/dbraw/zinc/82/50/41/845825041.db2.gz CYIHAEOGMSUPAK-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1)NCC1CCC1 ZINC001226427009 845824772 /nfs/dbraw/zinc/82/47/72/845824772.db2.gz DTDPVFHUJQBJAN-HUUCEWRRSA-N 0 3 371.503 -0.036 20 0 FBADHN CCN(CC)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226427011 845825455 /nfs/dbraw/zinc/82/54/55/845825455.db2.gz DTPXGJXENSXYRX-ZIAGYGMSSA-N 0 3 359.492 -0.084 20 0 FBADHN CC(C)N(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226427028 845825198 /nfs/dbraw/zinc/82/51/98/845825198.db2.gz FMNKNTPDHPZWMZ-ZIAGYGMSSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001226427260 845825343 /nfs/dbraw/zinc/82/53/43/845825343.db2.gz HWQGFGBHGHOUKY-KCPJHIHWSA-N 0 3 371.503 -0.037 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001226427263 845825427 /nfs/dbraw/zinc/82/54/27/845825427.db2.gz HWQGFGBHGHOUKY-NILFDRSVSA-N 0 3 371.503 -0.037 20 0 FBADHN CC[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226427567 845825332 /nfs/dbraw/zinc/82/53/32/845825332.db2.gz LRQNFEQYQPLACZ-IACUBPJLSA-N 0 3 359.492 -0.037 20 0 FBADHN CC[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226427573 845826209 /nfs/dbraw/zinc/82/62/09/845826209.db2.gz LRQNFEQYQPLACZ-MRVWCRGKSA-N 0 3 359.492 -0.037 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226427586 845826020 /nfs/dbraw/zinc/82/60/20/845826020.db2.gz LXIDWRGUUOVSCO-ZIAGYGMSSA-N 0 3 359.492 -0.180 20 0 FBADHN Cn1cc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001226427679 845826299 /nfs/dbraw/zinc/82/62/99/845826299.db2.gz MOQCUPVUOHQPAZ-NXEZZACHSA-N 0 3 356.814 -0.101 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1)NCC1CC1 ZINC001226427700 845826577 /nfs/dbraw/zinc/82/65/77/845826577.db2.gz NBBCVUDDCNSTOQ-ZIAGYGMSSA-N 0 3 357.476 -0.426 20 0 FBADHN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1)C(=O)NC1CC1 ZINC001226427716 845826477 /nfs/dbraw/zinc/82/64/77/845826477.db2.gz NHMGSGLSDKPSRE-LERXQTSPSA-N 0 3 357.476 -0.285 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1)C(=O)NC1CC1 ZINC001226427730 845826407 /nfs/dbraw/zinc/82/64/07/845826407.db2.gz NHMGSGLSDKPSRE-ZLKJLUDKSA-N 0 3 357.476 -0.285 20 0 FBADHN CN(C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001226427976 845826461 /nfs/dbraw/zinc/82/64/61/845826461.db2.gz NVPLGMSWWIQPFP-ZIAGYGMSSA-N 0 3 357.476 -0.331 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226428557 845825756 /nfs/dbraw/zinc/82/57/56/845825756.db2.gz SZUGYSXCWKLAFG-VXGBXAGGSA-N 0 3 352.478 -0.907 20 0 FBADHN CC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226428588 845825796 /nfs/dbraw/zinc/82/57/96/845825796.db2.gz UNKCPIFLMGUABO-CHWSQXEVSA-N 0 3 359.492 -0.037 20 0 FBADHN CN(CC1CC1)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226428672 845826446 /nfs/dbraw/zinc/82/64/46/845826446.db2.gz VZDMJWXWMBIDEM-HUUCEWRRSA-N 0 3 371.503 -0.084 20 0 FBADHN CCCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226428831 845826540 /nfs/dbraw/zinc/82/65/40/845826540.db2.gz XOUIEZFTCGTOFR-IACUBPJLSA-N 0 3 359.492 -0.037 20 0 FBADHN CCCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001226428833 845826101 /nfs/dbraw/zinc/82/61/01/845826101.db2.gz XOUIEZFTCGTOFR-MRVWCRGKSA-N 0 3 359.492 -0.037 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1cccn2nnnc12 ZINC001226441209 845826589 /nfs/dbraw/zinc/82/65/89/845826589.db2.gz BLIRWDAYUHCAHQ-CHWSQXEVSA-N 0 3 366.447 -0.201 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 ZINC001226474285 845826326 /nfs/dbraw/zinc/82/63/26/845826326.db2.gz JSNVMKJPCUGAAE-ZIAGYGMSSA-N 0 3 352.439 -0.552 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 ZINC001226474394 845826532 /nfs/dbraw/zinc/82/65/32/845826532.db2.gz LEGWWHZPQFJLIY-VXGBXAGGSA-N 0 3 351.411 -0.859 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 ZINC001226474407 845826247 /nfs/dbraw/zinc/82/62/47/845826247.db2.gz LQRNNJZYPHONSX-ZIAGYGMSSA-N 0 3 352.439 -0.552 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1)NCC(F)(F)F ZINC001226475160 845826282 /nfs/dbraw/zinc/82/62/82/845826282.db2.gz XJKKZFOBUDMIPL-GHMZBOCLSA-N 0 3 362.356 -0.026 20 0 FBADHN Cn1ccc(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001226513785 845826357 /nfs/dbraw/zinc/82/63/57/845826357.db2.gz BERLHBIWUKDVRT-CHWSQXEVSA-N 0 3 350.423 -0.435 20 0 FBADHN Cn1nccc1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226546891 845827104 /nfs/dbraw/zinc/82/71/04/845827104.db2.gz CWTULDFXBIJSDK-CHWSQXEVSA-N 0 3 350.423 -0.435 20 0 FBADHN CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC1=O ZINC001226563963 845827508 /nfs/dbraw/zinc/82/75/08/845827508.db2.gz GFTCQBHNMNMQFR-BFHYXJOUSA-N 0 3 359.492 -0.084 20 0 FBADHN CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC1=O ZINC001226563965 845827655 /nfs/dbraw/zinc/82/76/55/845827655.db2.gz GFTCQBHNMNMQFR-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001226565034 845828392 /nfs/dbraw/zinc/82/83/92/845828392.db2.gz UDXZCVOAMOJBPN-BFHYXJOUSA-N 0 3 354.451 -0.756 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001226565035 845827993 /nfs/dbraw/zinc/82/79/93/845827993.db2.gz UDXZCVOAMOJBPN-MGPQQGTHSA-N 0 3 354.451 -0.756 20 0 FBADHN CC(C)C(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226572502 845828131 /nfs/dbraw/zinc/82/81/31/845828131.db2.gz BLDOMOCVQBYUDR-VXGBXAGGSA-N 0 3 355.439 -0.687 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001226572534 845828709 /nfs/dbraw/zinc/82/87/09/845828709.db2.gz CYFWBARFXHXZTD-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001226572543 845828181 /nfs/dbraw/zinc/82/81/81/845828181.db2.gz DIWCMIMCQOTSTC-VXGBXAGGSA-N 0 3 358.468 -0.431 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001226572549 845828554 /nfs/dbraw/zinc/82/85/54/845828554.db2.gz DRJHMKBHUDECPZ-CHWSQXEVSA-N 0 3 360.480 -0.779 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001226572563 845828609 /nfs/dbraw/zinc/82/86/09/845828609.db2.gz FIADRYCRZQSENQ-CHWSQXEVSA-N 0 3 358.468 -0.729 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)CC ZINC001226572564 845828662 /nfs/dbraw/zinc/82/86/62/845828662.db2.gz FIOGUUKAMHZHHC-CHWSQXEVSA-N 0 3 362.496 -0.531 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001226572682 845828469 /nfs/dbraw/zinc/82/84/69/845828469.db2.gz FUROFBNYLKWANM-CHWSQXEVSA-N 0 3 362.496 -0.533 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001226573303 845828571 /nfs/dbraw/zinc/82/85/71/845828571.db2.gz QHYBLHBBIFUIMS-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC1=O ZINC001226573549 845828096 /nfs/dbraw/zinc/82/80/96/845828096.db2.gz UJJOQZUQFXAADS-IJLUTSLNSA-N 0 3 353.423 -0.933 20 0 FBADHN CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC1=O ZINC001226573552 845828688 /nfs/dbraw/zinc/82/86/88/845828688.db2.gz UJJOQZUQFXAADS-QJPTWQEYSA-N 0 3 353.423 -0.933 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001226573585 845828640 /nfs/dbraw/zinc/82/86/40/845828640.db2.gz VCINGPZNJGFHRX-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CN(CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C)S(C)(=O)=O ZINC001226579303 845828209 /nfs/dbraw/zinc/82/82/09/845828209.db2.gz CSWLMNLIMCGDGQ-CHWSQXEVSA-N 0 3 358.468 -0.777 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001226579362 845828545 /nfs/dbraw/zinc/82/85/45/845828545.db2.gz FCSFVXLLIHPGEK-CHWSQXEVSA-N 0 3 362.496 -0.579 20 0 FBADHN Cn1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CCNS(C)(=O)=O)cn1 ZINC001226579680 845829361 /nfs/dbraw/zinc/82/93/61/845829361.db2.gz KOYJEELNPGAPBT-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001226579705 845829162 /nfs/dbraw/zinc/82/91/62/845829162.db2.gz LFUWMULHPBLKRV-CHWSQXEVSA-N 0 3 362.496 -0.531 20 0 FBADHN CN(CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1)S(C)(=O)=O ZINC001226579729 845829184 /nfs/dbraw/zinc/82/91/84/845829184.db2.gz MFXNPOYQNTZQJE-CHWSQXEVSA-N 0 3 360.480 -0.827 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)CN(C)S(C)(=O)=O)n[nH]1 ZINC001226579889 845829234 /nfs/dbraw/zinc/82/92/34/845829234.db2.gz MUDYXJIVEUAUNS-VXGBXAGGSA-N 0 3 358.468 -0.478 20 0 FBADHN CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001226579963 845829822 /nfs/dbraw/zinc/82/98/22/845829822.db2.gz PBSXFIFFUBGWQZ-CHWSQXEVSA-N 0 3 360.480 -0.779 20 0 FBADHN Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001226579964 845829315 /nfs/dbraw/zinc/82/93/15/845829315.db2.gz PCBFSIPOAORKJB-CHWSQXEVSA-N 0 3 358.468 -0.729 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001226580034 845829755 /nfs/dbraw/zinc/82/97/55/845829755.db2.gz RDNJXCBFYVNHDC-CHWSQXEVSA-N 0 3 362.496 -0.581 20 0 FBADHN Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001226580264 845829594 /nfs/dbraw/zinc/82/95/94/845829594.db2.gz SRWAGLJDVQWFET-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN CN(CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C)S(C)(=O)=O ZINC001226580275 845829423 /nfs/dbraw/zinc/82/94/23/845829423.db2.gz TVOMBJBTXLVWER-ZIAGYGMSSA-N 0 3 357.480 -0.172 20 0 FBADHN Cn1cncc1CN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001226580333 845829298 /nfs/dbraw/zinc/82/92/98/845829298.db2.gz VVWGKGZYLLAHEB-ZIAGYGMSSA-N 0 3 357.480 -0.124 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)CCNS(C)(=O)=O)n[nH]1 ZINC001226580375 845829544 /nfs/dbraw/zinc/82/95/44/845829544.db2.gz WUPPSHNSECBQAP-VXGBXAGGSA-N 0 3 358.468 -0.431 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001226580424 845829503 /nfs/dbraw/zinc/82/95/03/845829503.db2.gz XXRKXKMBRIXQCD-CHWSQXEVSA-N 0 3 362.496 -0.533 20 0 FBADHN CN(CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1)S(C)(=O)=O ZINC001226580605 845830596 /nfs/dbraw/zinc/83/05/96/845830596.db2.gz ZIGOAECWVUTTGV-ZIAGYGMSSA-N 0 3 357.480 -0.172 20 0 FBADHN CN(CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C)S(C)(=O)=O ZINC001226580619 845831018 /nfs/dbraw/zinc/83/10/18/845831018.db2.gz ZTMKJVKIGUSTLC-ZIAGYGMSSA-N 0 3 357.480 -0.172 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001226589156 845830499 /nfs/dbraw/zinc/83/04/99/845830499.db2.gz FKNRIUNSADUHHZ-ZIAGYGMSSA-N 0 3 352.439 -0.563 20 0 FBADHN CN(CC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O)C(=O)C1CC1 ZINC001226589162 845830406 /nfs/dbraw/zinc/83/04/06/845830406.db2.gz FOIMISLXCJTAAL-ZIAGYGMSSA-N 0 3 359.492 -0.084 20 0 FBADHN CN(CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)C(=O)C1CC1 ZINC001226589260 845830374 /nfs/dbraw/zinc/83/03/74/845830374.db2.gz HNWWRAMUCZQTFR-VXGBXAGGSA-N 0 3 353.423 -0.933 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(=O)COC ZINC001226589531 845830692 /nfs/dbraw/zinc/83/06/92/845830692.db2.gz MESGGKYZOXCUQZ-ZIAGYGMSSA-N 0 3 356.467 -0.366 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226589862 845830314 /nfs/dbraw/zinc/83/03/14/845830314.db2.gz RTMAIESMGZSENN-CHWSQXEVSA-N 0 3 363.480 -0.847 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001226590013 845830751 /nfs/dbraw/zinc/83/07/51/845830751.db2.gz VEJYUEKRANIALC-ZIAGYGMSSA-N 0 3 354.451 -0.613 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001226590022 845830522 /nfs/dbraw/zinc/83/05/22/845830522.db2.gz VQPGGTNKICZHTN-ZIAGYGMSSA-N 0 3 356.467 -0.367 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001226597464 845830631 /nfs/dbraw/zinc/83/06/31/845830631.db2.gz PEUKMRWEWOHNIC-CHWSQXEVSA-N 0 3 352.439 -0.217 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)COC ZINC001226597596 845830673 /nfs/dbraw/zinc/83/06/73/845830673.db2.gz RHTGGNBWLCQESW-ZIAGYGMSSA-N 0 3 356.467 -0.318 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001226597621 845830345 /nfs/dbraw/zinc/83/03/45/845830345.db2.gz RTAKUDMTLMLCGG-ZIAGYGMSSA-N 0 3 356.467 -0.319 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001226597750 845830891 /nfs/dbraw/zinc/83/08/91/845830891.db2.gz VSMIWJOLRDJACU-ZIAGYGMSSA-N 0 3 352.439 -0.515 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001226597764 845830460 /nfs/dbraw/zinc/83/04/60/845830460.db2.gz VZQSAOWWNKEYLK-ZIAGYGMSSA-N 0 3 354.451 -0.565 20 0 FBADHN COCC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226597798 845830361 /nfs/dbraw/zinc/83/03/61/845830361.db2.gz XEANBTRPIBWBNN-CHWSQXEVSA-N 0 3 363.480 -0.799 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001226605038 845830265 /nfs/dbraw/zinc/83/02/65/845830265.db2.gz DHCXWWFVJRIQKL-JHJVBQTASA-N 0 3 352.435 -0.323 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001226605040 845830970 /nfs/dbraw/zinc/83/09/70/845830970.db2.gz DHCXWWFVJRIQKL-YNEHKIRRSA-N 0 3 352.435 -0.323 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001226606466 845832277 /nfs/dbraw/zinc/83/22/77/845832277.db2.gz XKQIOJFRWQKGBY-CHWSQXEVSA-N 0 3 352.439 -0.265 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC001226621130 845831551 /nfs/dbraw/zinc/83/15/51/845831551.db2.gz SZANPMHJSPILLF-CHWSQXEVSA-N 0 3 352.435 -0.321 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C1CC1 ZINC001226627575 845831853 /nfs/dbraw/zinc/83/18/53/845831853.db2.gz DXEJIQMYKGSNRS-IACUBPJLSA-N 0 3 353.467 -0.153 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)C1CC1 ZINC001226627577 845832084 /nfs/dbraw/zinc/83/20/84/845832084.db2.gz DXEJIQMYKGSNRS-MRVWCRGKSA-N 0 3 353.467 -0.153 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NC ZINC001226627605 845831996 /nfs/dbraw/zinc/83/19/96/845831996.db2.gz FLVXCECMWGPNHM-CHWSQXEVSA-N 0 3 357.455 -0.915 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CCC1 ZINC001226627614 845832015 /nfs/dbraw/zinc/83/20/15/845832015.db2.gz FVOXQXXLDMQAPA-ZIAGYGMSSA-N 0 3 353.467 -0.151 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001226627850 845831833 /nfs/dbraw/zinc/83/18/33/845831833.db2.gz ILAJFZCRXKUHMA-NXEZZACHSA-N 0 3 367.372 -0.389 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001226628143 845831673 /nfs/dbraw/zinc/83/16/73/845831673.db2.gz MKDHXDQEHVBRSU-CHWSQXEVSA-N 0 3 360.480 -0.825 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCCC1 ZINC001226635079 845833641 /nfs/dbraw/zinc/83/36/41/845833641.db2.gz NBNIASGESICSTH-ZIAGYGMSSA-N 0 3 353.467 -0.009 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001226635509 845833407 /nfs/dbraw/zinc/83/34/07/845833407.db2.gz VMKMIBRJYCITLD-CHWSQXEVSA-N 0 3 357.455 -0.915 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(F)CCOCC1 ZINC001226671112 845834203 /nfs/dbraw/zinc/83/42/03/845834203.db2.gz HLGLOINVQDYSJA-VXGBXAGGSA-N 0 3 358.414 -0.022 20 0 FBADHN Cc1c(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cnn1C ZINC001226680485 845834488 /nfs/dbraw/zinc/83/44/88/845834488.db2.gz WXIDXDJQFJTJKV-CHWSQXEVSA-N 0 3 350.423 -0.517 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCn1ccnn1 ZINC001226739942 845836336 /nfs/dbraw/zinc/83/63/36/845836336.db2.gz WJFMXMIIWYMPLI-VXGBXAGGSA-N 0 3 351.411 -0.730 20 0 FBADHN CCn1nnc(C)c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226748075 845836158 /nfs/dbraw/zinc/83/61/58/845836158.db2.gz DVIOONTUJHMVCG-GHMZBOCLSA-N 0 3 351.411 -0.568 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC(=O)NC1 ZINC001226748996 845835552 /nfs/dbraw/zinc/83/55/52/845835552.db2.gz QLQQLAWWKLOHEG-IJLUTSLNSA-N 0 3 353.423 -0.885 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001226748997 845836230 /nfs/dbraw/zinc/83/62/30/845836230.db2.gz QLQQLAWWKLOHEG-QJPTWQEYSA-N 0 3 353.423 -0.885 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001226749003 845836136 /nfs/dbraw/zinc/83/61/36/845836136.db2.gz QPVVIONBKODYJK-BFHYXJOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC(=O)NC1 ZINC001226749004 845836217 /nfs/dbraw/zinc/83/62/17/845836217.db2.gz QPVVIONBKODYJK-MGPQQGTHSA-N 0 3 359.492 -0.036 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc(C)o1 ZINC001226757367 845835700 /nfs/dbraw/zinc/83/57/00/845835700.db2.gz IDLRBBQUFOPIPN-CHWSQXEVSA-N 0 3 351.407 -0.002 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O ZINC001226807882 845837594 /nfs/dbraw/zinc/83/75/94/845837594.db2.gz GIBPDRMLODQOBS-ZIAGYGMSSA-N 0 3 354.451 -0.613 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCO2 ZINC001226807886 845837440 /nfs/dbraw/zinc/83/74/40/845837440.db2.gz GOCAHWXMCCIQPH-VXGBXAGGSA-N 0 3 356.448 -0.049 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O)NC1CC1 ZINC001226808246 845837076 /nfs/dbraw/zinc/83/70/76/845837076.db2.gz IEWAFCFYPZTSIK-ZIAGYGMSSA-N 0 3 352.435 -0.859 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCO2 ZINC001226808281 845836848 /nfs/dbraw/zinc/83/68/48/845836848.db2.gz IRXFDFDXCQQRQT-NXEZZACHSA-N 0 3 350.379 -0.899 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O ZINC001226808392 845837125 /nfs/dbraw/zinc/83/71/25/845837125.db2.gz MJERBGUKXYOLTF-ZIAGYGMSSA-N 0 3 354.451 -0.612 20 0 FBADHN Cc1nn(C)cc1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226823634 845836954 /nfs/dbraw/zinc/83/69/54/845836954.db2.gz AIWYLYZDTSHIOQ-CHWSQXEVSA-N 0 3 350.423 -0.517 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1OCCO[C@H]1C ZINC001226860988 845838169 /nfs/dbraw/zinc/83/81/69/845838169.db2.gz XUCFNKWQWMVHKY-SFTQSGBHSA-N 0 3 356.423 -0.737 20 0 FBADHN Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)cc1=O ZINC001226869243 845838191 /nfs/dbraw/zinc/83/81/91/845838191.db2.gz PPGOFPHNERZBDH-VXGBXAGGSA-N 0 3 356.448 -0.545 20 0 FBADHN CCc1c[nH]c(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001226878338 845838137 /nfs/dbraw/zinc/83/81/37/845838137.db2.gz PXXGIHUBOMJRPK-VXGBXAGGSA-N 0 3 350.423 -0.274 20 0 FBADHN CC[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CCNC1=O ZINC001226890868 845838436 /nfs/dbraw/zinc/83/84/36/845838436.db2.gz PJSXSFWBHDDJGL-IOASZLSFSA-N 0 3 359.492 -0.036 20 0 FBADHN CC[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CCNC1=O ZINC001226890871 845838104 /nfs/dbraw/zinc/83/81/04/845838104.db2.gz PJSXSFWBHDDJGL-XJKCOSOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CC[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCNC1=O ZINC001226891375 845838852 /nfs/dbraw/zinc/83/88/52/845838852.db2.gz UYVDESMOLLKLJF-GLKRBJQHSA-N 0 3 353.423 -0.885 20 0 FBADHN CC[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCNC1=O ZINC001226891376 845838675 /nfs/dbraw/zinc/83/86/75/845838675.db2.gz UYVDESMOLLKLJF-UVWXRNBGSA-N 0 3 353.423 -0.885 20 0 FBADHN Cc1cc(OCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)no1 ZINC001226898030 845838556 /nfs/dbraw/zinc/83/85/56/845838556.db2.gz ZHNZAMQATXTCER-GHMZBOCLSA-N 0 3 353.379 -0.426 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)ncn1C ZINC001226911549 845838905 /nfs/dbraw/zinc/83/89/05/845838905.db2.gz BOFGTPQDSJQYAM-VXGBXAGGSA-N 0 3 350.423 -0.185 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001226913641 845838209 /nfs/dbraw/zinc/83/82/09/845838209.db2.gz ZTIWPSFVKZKYNN-CHWSQXEVSA-N 0 3 356.467 -0.332 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001226921178 845839494 /nfs/dbraw/zinc/83/94/94/845839494.db2.gz DKTFMWJTXCNMOZ-GHMZBOCLSA-N 0 3 355.439 -0.639 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001226922627 845839563 /nfs/dbraw/zinc/83/95/63/845839563.db2.gz UJRDZTQVBXPDBU-CHWSQXEVSA-N 0 3 356.467 -0.332 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC001226950043 845840245 /nfs/dbraw/zinc/84/02/45/845840245.db2.gz METRDZLGPCJLOZ-GHMZBOCLSA-N 0 3 350.379 -0.732 20 0 FBADHN CCc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226958617 845841037 /nfs/dbraw/zinc/84/10/37/845841037.db2.gz YGYINZRLGVXRLH-CHWSQXEVSA-N 0 3 350.423 -0.192 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001226965240 845841309 /nfs/dbraw/zinc/84/13/09/845841309.db2.gz RXUCJTHDIPPVCU-IJLUTSLNSA-N 0 3 353.423 -0.872 20 0 FBADHN CN1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1=O ZINC001226972965 845840931 /nfs/dbraw/zinc/84/09/31/845840931.db2.gz IYSSGTOKXCYWDI-BFHYXJOUSA-N 0 3 359.492 -0.084 20 0 FBADHN CN1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1=O ZINC001226972966 845840700 /nfs/dbraw/zinc/84/07/00/845840700.db2.gz IYSSGTOKXCYWDI-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN CN1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1=O ZINC001226973949 845840846 /nfs/dbraw/zinc/84/08/46/845840846.db2.gz ZSRJZKXZYPNQFM-IJLUTSLNSA-N 0 3 353.423 -0.933 20 0 FBADHN CN1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1=O ZINC001226973950 845841169 /nfs/dbraw/zinc/84/11/69/845841169.db2.gz ZSRJZKXZYPNQFM-QJPTWQEYSA-N 0 3 353.423 -0.933 20 0 FBADHN CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001226983329 845840802 /nfs/dbraw/zinc/84/08/02/845840802.db2.gz CBAHHRBSDQIORQ-CHWSQXEVSA-N 0 3 371.463 -0.248 20 0 FBADHN CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O)S(C)(=O)=O ZINC001226983347 845841419 /nfs/dbraw/zinc/84/14/19/845841419.db2.gz CPLFEENSLKBZBO-CHWSQXEVSA-N 0 3 371.463 -0.296 20 0 FBADHN CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001226983651 845841055 /nfs/dbraw/zinc/84/10/55/845841055.db2.gz IGQYVWXKLWPOCB-VXGBXAGGSA-N 0 3 357.436 -0.638 20 0 FBADHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O)C(=O)NC(N)=O ZINC001226984569 845841231 /nfs/dbraw/zinc/84/12/31/845841231.db2.gz ZSWSKRYPKQDYLA-FBIMIBRVSA-N 0 3 350.379 -0.604 20 0 FBADHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O)C(=O)NC(N)=O ZINC001226984570 845841194 /nfs/dbraw/zinc/84/11/94/845841194.db2.gz ZSWSKRYPKQDYLA-JMJZKYOTSA-N 0 3 350.379 -0.604 20 0 FBADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)O1 ZINC001227028814 845842559 /nfs/dbraw/zinc/84/25/59/845842559.db2.gz OBNWNVQFSLGFBT-KBUPBQIOSA-N 0 3 361.508 -0.233 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCNC(=O)C1 ZINC001227038686 845842498 /nfs/dbraw/zinc/84/24/98/845842498.db2.gz KZQIMBKQKLGVLS-GLKRBJQHSA-N 0 3 353.423 -0.885 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCNC(=O)C1 ZINC001227038687 845842135 /nfs/dbraw/zinc/84/21/35/845842135.db2.gz KZQIMBKQKLGVLS-UVWXRNBGSA-N 0 3 353.423 -0.885 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CCNC(=O)C1 ZINC001227039400 845842575 /nfs/dbraw/zinc/84/25/75/845842575.db2.gz XQPZAIJEEBJXJQ-IOASZLSFSA-N 0 3 359.492 -0.036 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CCNC(=O)C1 ZINC001227039401 845842605 /nfs/dbraw/zinc/84/26/05/845842605.db2.gz XQPZAIJEEBJXJQ-XJKCOSOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001227047733 845842209 /nfs/dbraw/zinc/84/22/09/845842209.db2.gz MBTJOAPWFXCYIY-CHWSQXEVSA-N 0 3 357.476 -0.426 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001227047877 845842334 /nfs/dbraw/zinc/84/23/34/845842334.db2.gz NQRFZRNUZDQOAO-IACUBPJLSA-N 0 3 371.503 -0.037 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001227047878 845842471 /nfs/dbraw/zinc/84/24/71/845842471.db2.gz NQRFZRNUZDQOAO-MRVWCRGKSA-N 0 3 371.503 -0.037 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001227048001 845842151 /nfs/dbraw/zinc/84/21/51/845842151.db2.gz QHNOOTQNDOYTMK-ZIAGYGMSSA-N 0 3 371.503 -0.036 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001227048411 845842365 /nfs/dbraw/zinc/84/23/65/845842365.db2.gz XCDSFIKEYHVNKN-ZIAGYGMSSA-N 0 3 371.503 -0.084 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nc(OC)cc(OC)n1 ZINC001227073179 845843917 /nfs/dbraw/zinc/84/39/17/845843917.db2.gz HWPZKVVCNKWBDP-GHMZBOCLSA-N 0 3 351.407 -0.130 20 0 FBADHN Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)c1Cl ZINC001227082987 845843777 /nfs/dbraw/zinc/84/37/77/845843777.db2.gz NDQDYMKPDZZRNR-NXEZZACHSA-N 0 3 356.814 -0.101 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC1=O ZINC001227106939 845843624 /nfs/dbraw/zinc/84/36/24/845843624.db2.gz RLEPYQTXYKPSNS-BFHYXJOUSA-N 0 3 359.492 -0.084 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC1=O ZINC001227106941 845843463 /nfs/dbraw/zinc/84/34/63/845843463.db2.gz RLEPYQTXYKPSNS-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC1=O ZINC001227107137 845843308 /nfs/dbraw/zinc/84/33/08/845843308.db2.gz SYIUTKPOQFURLV-IJLUTSLNSA-N 0 3 353.423 -0.933 20 0 FBADHN CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC1=O ZINC001227107174 845843178 /nfs/dbraw/zinc/84/31/78/845843178.db2.gz SYIUTKPOQFURLV-QJPTWQEYSA-N 0 3 353.423 -0.933 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1)S(C)(=O)=O ZINC001227113026 845843645 /nfs/dbraw/zinc/84/36/45/845843645.db2.gz CSWAWJXBBZSDEU-IACUBPJLSA-N 0 3 359.492 -0.037 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1)S(C)(=O)=O ZINC001227113027 845843156 /nfs/dbraw/zinc/84/31/56/845843156.db2.gz CSWAWJXBBZSDEU-MRVWCRGKSA-N 0 3 359.492 -0.037 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CCOC ZINC001227113820 845844687 /nfs/dbraw/zinc/84/46/87/845844687.db2.gz MCGDLXHHMPYBMY-CHWSQXEVSA-N 0 3 363.480 -0.799 20 0 FBADHN COCCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N(C)C ZINC001227114031 845844863 /nfs/dbraw/zinc/84/48/63/845844863.db2.gz MVIYNOYGWQYWJI-CHWSQXEVSA-N 0 3 363.480 -0.847 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O)S(C)(=O)=O ZINC001227114847 845844797 /nfs/dbraw/zinc/84/47/97/845844797.db2.gz VKSYHTHTVFIILE-IJLUTSLNSA-N 0 3 354.494 -0.519 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O)S(C)(=O)=O ZINC001227114849 845845211 /nfs/dbraw/zinc/84/52/11/845845211.db2.gz VKSYHTHTVFIILE-QJPTWQEYSA-N 0 3 354.494 -0.519 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CCS(C)(=O)=O ZINC001227121478 845845248 /nfs/dbraw/zinc/84/52/48/845845248.db2.gz AONDUPORMRKBTM-VXGBXAGGSA-N 0 3 354.494 -0.517 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CCOC ZINC001227121926 845845138 /nfs/dbraw/zinc/84/51/38/845845138.db2.gz LSFPVBWGEOAJME-JHJVBQTASA-N 0 3 363.480 -0.801 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CCOC ZINC001227122131 845845008 /nfs/dbraw/zinc/84/50/08/845845008.db2.gz LSFPVBWGEOAJME-YNEHKIRRSA-N 0 3 363.480 -0.801 20 0 FBADHN CS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001227122259 845845078 /nfs/dbraw/zinc/84/50/78/845845078.db2.gz PNXQCZPFMIAXKA-IJLUTSLNSA-N 0 3 359.448 -0.757 20 0 FBADHN CS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001227122260 845845148 /nfs/dbraw/zinc/84/51/48/845845148.db2.gz PNXQCZPFMIAXKA-UTUOFQBUSA-N 0 3 359.448 -0.757 20 0 FBADHN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O ZINC001227122265 845844448 /nfs/dbraw/zinc/84/44/48/845844448.db2.gz PUNCXTYHYYZGRW-MCIONIFRSA-N 0 3 359.492 -0.037 20 0 FBADHN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O ZINC001227122266 845844483 /nfs/dbraw/zinc/84/44/83/845844483.db2.gz PUNCXTYHYYZGRW-MGPQQGTHSA-N 0 3 359.492 -0.037 20 0 FBADHN CS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1 ZINC001227122498 845844939 /nfs/dbraw/zinc/84/49/39/845844939.db2.gz SFHFAIFWDTUYER-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)CCS(C)(=O)=O)C(=O)NC(N)=O ZINC001227122890 845844645 /nfs/dbraw/zinc/84/46/45/845844645.db2.gz YXPLOUGEJSFNRF-GMTAPVOTSA-N 0 3 362.452 -0.979 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)CCS(C)(=O)=O)C(=O)NC(N)=O ZINC001227122894 845845126 /nfs/dbraw/zinc/84/51/26/845845126.db2.gz YXPLOUGEJSFNRF-HBNTYKKESA-N 0 3 362.452 -0.979 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(F)cn1 ZINC001227127702 845845187 /nfs/dbraw/zinc/84/51/87/845845187.db2.gz LIUWHTSZKKDPQT-CHWSQXEVSA-N 0 3 351.382 -0.025 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001227134924 845845175 /nfs/dbraw/zinc/84/51/75/845845175.db2.gz CXTCXDKICSVVBH-ZIAGYGMSSA-N 0 3 367.475 -0.088 20 0 FBADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001227135275 845844324 /nfs/dbraw/zinc/84/43/24/845844324.db2.gz IRVPJLXBRZIDEI-ZIAGYGMSSA-N 0 3 367.475 -0.088 20 0 FBADHN CN1CCN(CCNC(=O)N[C@@H]2CCc3nnnn3CC2)CC1(C)C ZINC001227136063 845844579 /nfs/dbraw/zinc/84/45/79/845844579.db2.gz IJWHLLBAXANNBE-CYBMUJFWSA-N 0 3 350.471 -0.297 20 0 FBADHN CN1CCN(CCNC(=O)N[C@H]2CCc3nnnn3CC2)CC1(C)C ZINC001227136075 845844990 /nfs/dbraw/zinc/84/49/90/845844990.db2.gz IJWHLLBAXANNBE-ZDUSSCGKSA-N 0 3 350.471 -0.297 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001227136943 845845419 /nfs/dbraw/zinc/84/54/19/845845419.db2.gz ZZRYMEQJGRICQQ-IJLUTSLNSA-N 0 3 350.423 -0.691 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001227136944 845846146 /nfs/dbraw/zinc/84/61/46/845846146.db2.gz ZZRYMEQJGRICQQ-QJPTWQEYSA-N 0 3 350.423 -0.691 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1)NC1CC1 ZINC001227175160 845845846 /nfs/dbraw/zinc/84/58/46/845845846.db2.gz HFWZGRGKPZLFRI-ZIAGYGMSSA-N 0 3 357.476 -0.283 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001227175353 845846159 /nfs/dbraw/zinc/84/61/59/845846159.db2.gz IUXCKNNYZWPNLS-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001227175364 845845943 /nfs/dbraw/zinc/84/59/43/845845943.db2.gz JDWILCQQSKGXFI-ZIAGYGMSSA-N 0 3 359.492 -0.037 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001227175887 845845992 /nfs/dbraw/zinc/84/59/92/845845992.db2.gz OZPIJNARCKJGRI-CHWSQXEVSA-N 0 3 366.505 -0.517 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001227176000 845846135 /nfs/dbraw/zinc/84/61/35/845846135.db2.gz PIUSWDIZVHFDOC-ZIAGYGMSSA-N 0 3 359.492 -0.084 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1)NCC1CC1 ZINC001227176009 845846104 /nfs/dbraw/zinc/84/61/04/845846104.db2.gz PUKJZOZYNUXNHG-HUUCEWRRSA-N 0 3 371.503 -0.036 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1)C(=O)N(C)C ZINC001227176608 845845978 /nfs/dbraw/zinc/84/59/78/845845978.db2.gz YQJNWYRDXVAVOZ-IACUBPJLSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)CC1CS(=O)(=O)C1)C(=O)N(C)C ZINC001227176611 845845760 /nfs/dbraw/zinc/84/57/60/845845760.db2.gz YQJNWYRDXVAVOZ-MRVWCRGKSA-N 0 3 359.492 -0.085 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001227183935 845846238 /nfs/dbraw/zinc/84/62/38/845846238.db2.gz CEDOKNGBOUUXOS-CHWSQXEVSA-N 0 3 352.439 -0.877 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001227184233 845846175 /nfs/dbraw/zinc/84/61/75/845846175.db2.gz GZWWZPSCNAJISW-CHWSQXEVSA-N 0 3 352.439 -0.875 20 0 FBADHN CCN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001227202888 845847222 /nfs/dbraw/zinc/84/72/22/845847222.db2.gz LWBHVZVSRUZVNL-KFWWJZLASA-N 0 3 361.508 -0.231 20 0 FBADHN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001227202892 845847252 /nfs/dbraw/zinc/84/72/52/845847252.db2.gz LWBHVZVSRUZVNL-RBSFLKMASA-N 0 3 361.508 -0.231 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001227211739 845847351 /nfs/dbraw/zinc/84/73/51/845847351.db2.gz KMMIGWYXQGIPQF-VXGBXAGGSA-N 0 3 354.386 -0.322 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)F)NCC1CC1 ZINC001227216174 845846770 /nfs/dbraw/zinc/84/67/70/845846770.db2.gz AYJJHRZWYDCISV-VXGBXAGGSA-N 0 3 360.405 -0.089 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)F ZINC001227217310 845847330 /nfs/dbraw/zinc/84/73/30/845847330.db2.gz MYQUPKSJJHMOKW-NXEZZACHSA-N 0 3 355.407 -0.571 20 0 FBADHN O=C(NCC(F)F)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001227226389 845848024 /nfs/dbraw/zinc/84/80/24/845848024.db2.gz WXSSTHFWIORQDM-BBBLOLIVSA-N 0 3 360.361 -0.810 20 0 FBADHN O=C(NCC(F)F)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001227226392 845847860 /nfs/dbraw/zinc/84/78/60/845847860.db2.gz WXSSTHFWIORQDM-OPRDCNLKSA-N 0 3 360.361 -0.810 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCCC1=O ZINC001227260126 845847911 /nfs/dbraw/zinc/84/79/11/845847911.db2.gz KEXFXNUEURHTKV-VXGBXAGGSA-N 0 3 353.423 -0.789 20 0 FBADHN CCc1c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cnn1C ZINC001227260281 845848144 /nfs/dbraw/zinc/84/81/44/845848144.db2.gz PVNBOCWWGZTSAT-VXGBXAGGSA-N 0 3 350.423 -0.192 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCNC1=O)NC1CC1 ZINC001227269150 845848910 /nfs/dbraw/zinc/84/89/10/845848910.db2.gz NYOFZJGBKKUODM-ZIAGYGMSSA-N 0 3 351.451 -0.303 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCNC1=O ZINC001227269300 845849501 /nfs/dbraw/zinc/84/95/01/845849501.db2.gz PUVKIXWDNBIPTQ-ZIAGYGMSSA-N 0 3 353.467 -0.057 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCNC1=O ZINC001227269473 845849485 /nfs/dbraw/zinc/84/94/85/845849485.db2.gz ULZLGYRGTKASPT-ZIAGYGMSSA-N 0 3 353.467 -0.055 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCNC1=O ZINC001227269543 845849346 /nfs/dbraw/zinc/84/93/46/845849346.db2.gz WXFMSKOAHGDWTR-CHWSQXEVSA-N 0 3 360.480 -0.537 20 0 FBADHN CCOc1nc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)co1 ZINC001227286625 845849641 /nfs/dbraw/zinc/84/96/41/845849641.db2.gz HBCYHKYXIXWTMR-NXEZZACHSA-N 0 3 353.379 -0.101 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)NC(C)C ZINC001227286672 845849262 /nfs/dbraw/zinc/84/92/62/845849262.db2.gz JGGOPWVGXNTIFM-ZIAGYGMSSA-N 0 3 355.483 -0.794 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncn1C ZINC001227312690 845850519 /nfs/dbraw/zinc/85/05/19/845850519.db2.gz YUNGNOSIQKKWJY-VXGBXAGGSA-N 0 3 350.423 -0.104 20 0 FBADHN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001227320541 845850505 /nfs/dbraw/zinc/85/05/05/845850505.db2.gz XLUYMYMQGWDBQJ-CHWSQXEVSA-N 0 3 370.475 -0.201 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001227329069 845850655 /nfs/dbraw/zinc/85/06/55/845850655.db2.gz JYEXOWDZJHBQDS-VXGBXAGGSA-N 0 3 351.407 -0.898 20 0 FBADHN CCc1nnsc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001227349085 845850577 /nfs/dbraw/zinc/85/05/77/845850577.db2.gz ZJUUACKLUFZOPK-NXEZZACHSA-N 0 3 354.436 -0.074 20 0 FBADHN NC(=O)NCCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001227355608 845850643 /nfs/dbraw/zinc/85/06/43/845850643.db2.gz JNJPCDSHJXTZEO-GHMZBOCLSA-N 0 3 356.427 -0.963 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001227356167 845850594 /nfs/dbraw/zinc/85/05/94/845850594.db2.gz POOSNULEARCVGJ-BFHYXJOUSA-N 0 3 359.492 -0.084 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001227356170 845850444 /nfs/dbraw/zinc/85/04/44/845850444.db2.gz POOSNULEARCVGJ-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001227356734 845850659 /nfs/dbraw/zinc/85/06/59/845850659.db2.gz UROLTLFAWRTOHW-BFHYXJOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001227356736 845850379 /nfs/dbraw/zinc/85/03/79/845850379.db2.gz UROLTLFAWRTOHW-MGPQQGTHSA-N 0 3 359.492 -0.036 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CCCCNC(N)=O ZINC001227356895 845850088 /nfs/dbraw/zinc/85/00/88/845850088.db2.gz WHIPPYBEGGXWID-CHWSQXEVSA-N 0 3 362.496 -0.113 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001227362841 845851509 /nfs/dbraw/zinc/85/15/09/845851509.db2.gz CPVCRALHSYHHRE-BFHYXJOUSA-N 0 3 359.492 -0.037 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001227362843 845851137 /nfs/dbraw/zinc/85/11/37/845851137.db2.gz CPVCRALHSYHHRE-MGPQQGTHSA-N 0 3 359.492 -0.037 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1)NC1CC1 ZINC001227362859 845851405 /nfs/dbraw/zinc/85/14/05/845851405.db2.gz DCSNEQSDURIFRV-IACUBPJLSA-N 0 3 357.476 -0.283 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1)NC1CC1 ZINC001227362861 845851434 /nfs/dbraw/zinc/85/14/34/845851434.db2.gz DCSNEQSDURIFRV-MRVWCRGKSA-N 0 3 357.476 -0.283 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001227363132 845851674 /nfs/dbraw/zinc/85/16/74/845851674.db2.gz OUIWAOWEIGYHMM-BFHYXJOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001227363133 845851521 /nfs/dbraw/zinc/85/15/21/845851521.db2.gz OUIWAOWEIGYHMM-MGPQQGTHSA-N 0 3 359.492 -0.036 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001227363248 845851602 /nfs/dbraw/zinc/85/16/02/845851602.db2.gz UJVYBNFJOQHPKJ-JHJVBQTASA-N 0 3 366.505 -0.517 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001227363249 845851590 /nfs/dbraw/zinc/85/15/90/845851590.db2.gz UJVYBNFJOQHPKJ-YNEHKIRRSA-N 0 3 366.505 -0.517 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001227363394 845851040 /nfs/dbraw/zinc/85/10/40/845851040.db2.gz VXFSUTTVAFQQOY-BFHYXJOUSA-N 0 3 359.492 -0.084 20 0 FBADHN CCN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001227363395 845851488 /nfs/dbraw/zinc/85/14/88/845851488.db2.gz VXFSUTTVAFQQOY-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1)NCC1CC1 ZINC001227363456 845851217 /nfs/dbraw/zinc/85/12/17/845851217.db2.gz YSHWZURWCHAGAK-RBSFLKMASA-N 0 3 371.503 -0.036 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1)NCC1CC1 ZINC001227363457 845851420 /nfs/dbraw/zinc/85/14/20/845851420.db2.gz YSHWZURWCHAGAK-RRFJBIMHSA-N 0 3 371.503 -0.036 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001227363479 845851116 /nfs/dbraw/zinc/85/11/16/845851116.db2.gz ZRXNXBSJJGJGSN-BFHYXJOUSA-N 0 3 353.467 -0.070 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001227363480 845851366 /nfs/dbraw/zinc/85/13/66/845851366.db2.gz ZRXNXBSJJGJGSN-MGPQQGTHSA-N 0 3 353.467 -0.070 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)CCC1=O ZINC001227373286 845851630 /nfs/dbraw/zinc/85/16/30/845851630.db2.gz PMZSYTXSCNKTNS-CHWSQXEVSA-N 0 3 352.435 -0.321 20 0 FBADHN Cc1cc(C)n(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001227380576 845851339 /nfs/dbraw/zinc/85/13/39/845851339.db2.gz LQAJWUKPBYXRLI-CHWSQXEVSA-N 0 3 350.423 -0.288 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)o1 ZINC001227389798 845852167 /nfs/dbraw/zinc/85/21/67/845852167.db2.gz PHLPWGFAYDHGBV-RKDXNWHRSA-N 0 3 351.363 -0.796 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCC(=O)N1 ZINC001227390735 845852983 /nfs/dbraw/zinc/85/29/83/845852983.db2.gz YAJRYUFPMIEKHV-IJLUTSLNSA-N 0 3 353.423 -0.743 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001227390737 845852735 /nfs/dbraw/zinc/85/27/35/845852735.db2.gz YAJRYUFPMIEKHV-QJPTWQEYSA-N 0 3 353.423 -0.743 20 0 FBADHN Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cc1Cl ZINC001227397000 845852670 /nfs/dbraw/zinc/85/26/70/845852670.db2.gz GXPNJJPJOUDSLX-RKDXNWHRSA-N 0 3 356.814 -0.101 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)nn1C ZINC001227405949 845852242 /nfs/dbraw/zinc/85/22/42/845852242.db2.gz POLKNMVYHDMHRK-NXEZZACHSA-N 0 3 352.395 -0.746 20 0 FBADHN COc1cnc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)nc1 ZINC001227406029 845852142 /nfs/dbraw/zinc/85/21/42/845852142.db2.gz RDJJGEIBJKELFC-GHMZBOCLSA-N 0 3 350.379 -0.689 20 0 FBADHN COc1nccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001227428092 845852270 /nfs/dbraw/zinc/85/22/70/845852270.db2.gz SPDHZOPGDCHZPU-NXEZZACHSA-N 0 3 350.379 -0.689 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC001227458954 845852406 /nfs/dbraw/zinc/85/24/06/845852406.db2.gz IQIJXJCBCWNAEW-CHWSQXEVSA-N 0 3 366.447 -0.201 20 0 FBADHN Cc1cc(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n(C)n1 ZINC001227459710 845853905 /nfs/dbraw/zinc/85/39/05/845853905.db2.gz UQCQDEBNPTUFBZ-CHWSQXEVSA-N 0 3 350.423 -0.517 20 0 FBADHN CN(C)S(=O)(=O)CCCN1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001227464837 845853467 /nfs/dbraw/zinc/85/34/67/845853467.db2.gz SIJNPYZGLFADKG-BBRMVZONSA-N 0 3 359.492 -0.115 20 0 FBADHN Cn1c(Cl)ncc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001227475232 845853574 /nfs/dbraw/zinc/85/35/74/845853574.db2.gz XCBBGCVQFAGEDC-RKDXNWHRSA-N 0 3 356.814 -0.101 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCCS1(=O)=O ZINC001227525202 845854788 /nfs/dbraw/zinc/85/47/88/845854788.db2.gz PMJNGFBIUZGIBX-CHWSQXEVSA-N 0 3 360.480 -0.825 20 0 FBADHN CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)on1 ZINC001227543612 845855337 /nfs/dbraw/zinc/85/53/37/845855337.db2.gz LVZQMAUFDTVZRH-NXEZZACHSA-N 0 3 353.379 -0.101 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001227591353 845854657 /nfs/dbraw/zinc/85/46/57/845854657.db2.gz BUGDZLCBVMJXBM-XKKYHAADSA-N 0 3 350.419 -0.378 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001227603410 845855271 /nfs/dbraw/zinc/85/52/71/845855271.db2.gz PPOLCLFMRWJEGB-SYQHCUMBSA-N 0 3 354.451 -0.438 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)ncc1=O ZINC001227614331 845854734 /nfs/dbraw/zinc/85/47/34/845854734.db2.gz ZHVWOMALBFVGIY-VXGBXAGGSA-N 0 3 356.448 -0.545 20 0 FBADHN C[C@H](CNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)CN1CCN(C)CC1 ZINC001227631038 845856339 /nfs/dbraw/zinc/85/63/39/845856339.db2.gz DTRRGNBQPYEXSK-RBSFLKMASA-N 0 3 353.467 -0.831 20 0 FBADHN C[C@@H](CNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)CN1CCN(C)CC1 ZINC001227631047 845856418 /nfs/dbraw/zinc/85/64/18/845856418.db2.gz DTRRGNBQPYEXSK-RRFJBIMHSA-N 0 3 353.467 -0.831 20 0 FBADHN C[C@@H](CNC(=O)N[C@H]1CCc2nnnn2CC1)CN1CCN(C)CC1 ZINC001227632847 845855755 /nfs/dbraw/zinc/85/57/55/845855755.db2.gz QJLCLKGBSWZQEA-KBPBESRZSA-N 0 3 350.471 -0.439 20 0 FBADHN C[C@H](CNC(=O)N[C@H]1CCc2nnnn2CC1)CN1CCN(C)CC1 ZINC001227632850 845856374 /nfs/dbraw/zinc/85/63/74/845856374.db2.gz QJLCLKGBSWZQEA-KGLIPLIRSA-N 0 3 350.471 -0.439 20 0 FBADHN C[C@@H](CNC(=O)N[C@@H]1CCc2nnnn2CC1)CN1CCN(C)CC1 ZINC001227632851 845855831 /nfs/dbraw/zinc/85/58/31/845855831.db2.gz QJLCLKGBSWZQEA-UONOGXRCSA-N 0 3 350.471 -0.439 20 0 FBADHN C[C@H](CNC(=O)N[C@@H]1CCc2nnnn2CC1)CN1CCN(C)CC1 ZINC001227632853 845856400 /nfs/dbraw/zinc/85/64/00/845856400.db2.gz QJLCLKGBSWZQEA-ZIAGYGMSSA-N 0 3 350.471 -0.439 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)nn1 ZINC001227646810 845856302 /nfs/dbraw/zinc/85/63/02/845856302.db2.gz JNCQFRRARIUWRL-VXGBXAGGSA-N 0 3 351.411 -0.948 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)nn1 ZINC001227647153 845856242 /nfs/dbraw/zinc/85/62/42/845856242.db2.gz TUHGSUXVRKNLGB-ZIAGYGMSSA-N 0 3 357.480 -0.098 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1coc(C(N)=O)c1 ZINC001227688887 845857188 /nfs/dbraw/zinc/85/71/88/845857188.db2.gz PISMCQYWEPSRKS-NXEZZACHSA-N 0 3 351.363 -0.796 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCC(F)F ZINC001227711967 845857341 /nfs/dbraw/zinc/85/73/41/845857341.db2.gz BJTKNHXEJIFSED-NXEZZACHSA-N 0 3 350.366 -0.259 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001227720394 845857515 /nfs/dbraw/zinc/85/75/15/845857515.db2.gz IBISLEAPOVCUQO-CHWSQXEVSA-N 0 3 352.439 -0.875 20 0 FBADHN CCC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC)S(N)(=O)=O ZINC001227729042 845857380 /nfs/dbraw/zinc/85/73/80/845857380.db2.gz VPLJHWSIEFNJDD-JHJVBQTASA-N 0 3 362.496 -0.403 20 0 FBADHN CCC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC)S(N)(=O)=O ZINC001227729047 845857586 /nfs/dbraw/zinc/85/75/86/845857586.db2.gz VPLJHWSIEFNJDD-UPJWGTAASA-N 0 3 362.496 -0.403 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1CC(F)F ZINC001227729178 845857163 /nfs/dbraw/zinc/85/71/63/845857163.db2.gz WVKCDDMUADYSKV-JHJVBQTASA-N 0 3 362.421 -0.285 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1CC(F)F ZINC001227729180 845858406 /nfs/dbraw/zinc/85/84/06/845858406.db2.gz WVKCDDMUADYSKV-UPJWGTAASA-N 0 3 362.421 -0.285 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC(=O)CC1 ZINC001227734998 845858383 /nfs/dbraw/zinc/85/83/83/845858383.db2.gz WWFSPZDAVJIAQG-IJLUTSLNSA-N 0 3 353.423 -0.885 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001227735001 845858744 /nfs/dbraw/zinc/85/87/44/845858744.db2.gz WWFSPZDAVJIAQG-QJPTWQEYSA-N 0 3 353.423 -0.885 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001227735132 845858153 /nfs/dbraw/zinc/85/81/53/845858153.db2.gz YZKNXQXAESFKJK-BFHYXJOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC(=O)CC1 ZINC001227735134 845858632 /nfs/dbraw/zinc/85/86/32/845858632.db2.gz YZKNXQXAESFKJK-MGPQQGTHSA-N 0 3 359.492 -0.036 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001227741472 845858495 /nfs/dbraw/zinc/85/84/95/845858495.db2.gz AUDNKMCVDJXLIP-CHWSQXEVSA-N 0 3 359.452 -0.446 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001227741567 845858455 /nfs/dbraw/zinc/85/84/55/845858455.db2.gz CVUHTPWSXHPUJQ-ZIAGYGMSSA-N 0 3 355.464 -0.348 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001227742008 845858200 /nfs/dbraw/zinc/85/82/00/845858200.db2.gz INUUWTRHWMIKKW-ZIAGYGMSSA-N 0 3 369.491 -0.039 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)nc1 ZINC001227742010 845858166 /nfs/dbraw/zinc/85/81/66/845858166.db2.gz IPXBHGDXHFJFFJ-ZIAGYGMSSA-N 0 3 370.479 -0.644 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ncn1 ZINC001227742023 845858561 /nfs/dbraw/zinc/85/85/61/845858561.db2.gz JJTPOYFTNLNXIU-ZIAGYGMSSA-N 0 3 370.479 -0.644 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001227742142 845858479 /nfs/dbraw/zinc/85/84/79/845858479.db2.gz MBEAOBHMXIJCMM-VXGBXAGGSA-N 0 3 361.493 -0.286 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001227742610 845858694 /nfs/dbraw/zinc/85/86/94/845858694.db2.gz SVIGENYKDYKJMM-CHWSQXEVSA-N 0 3 359.452 -0.446 20 0 FBADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001227743004 845859614 /nfs/dbraw/zinc/85/96/14/845859614.db2.gz ZFKYMJQSZSCQGE-VXGBXAGGSA-N 0 3 361.493 -0.286 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001227760407 845859911 /nfs/dbraw/zinc/85/99/11/845859911.db2.gz DSFPDLBQBOYQII-GBJTYRQASA-N 0 3 354.451 -0.615 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1coc(OC)n1 ZINC001227760447 845859673 /nfs/dbraw/zinc/85/96/73/845859673.db2.gz FGCRNNRJZVNRHH-NXEZZACHSA-N 0 3 353.379 -0.231 20 0 FBADHN COC[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCOC1 ZINC001227761084 845859997 /nfs/dbraw/zinc/85/99/97/845859997.db2.gz NNZIHCHNLCVQRH-HSMVNMDESA-N 0 3 356.423 -0.749 20 0 FBADHN COC[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCOC1 ZINC001227761085 845859546 /nfs/dbraw/zinc/85/95/46/845859546.db2.gz NNZIHCHNLCVQRH-XHBSWPGZSA-N 0 3 356.423 -0.749 20 0 FBADHN Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001227814165 845861070 /nfs/dbraw/zinc/86/10/70/845861070.db2.gz VVYNKBJTURHJKF-VXGBXAGGSA-N 0 3 350.423 -0.138 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001227822576 845861261 /nfs/dbraw/zinc/86/12/61/845861261.db2.gz PMBPHXHOZMNSPH-VXGBXAGGSA-N 0 3 351.407 -0.369 20 0 FBADHN Cc1noc(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001227856194 845862670 /nfs/dbraw/zinc/86/26/70/845862670.db2.gz RKHGEPBDRIUDQE-GHMZBOCLSA-N 0 3 352.395 -0.477 20 0 FBADHN CC(=O)NCCOCCN1CCC(NC(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001227859846 845863264 /nfs/dbraw/zinc/86/32/64/845863264.db2.gz AIEAOLLOXYAYIN-BBRMVZONSA-N 0 3 357.451 -0.476 20 0 FBADHN CN(CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1)S(C)(=O)=O ZINC001227867764 845863245 /nfs/dbraw/zinc/86/32/45/845863245.db2.gz JWAPJAHEGXTGBI-ZIAGYGMSSA-N 0 3 369.491 -0.015 20 0 FBADHN CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001227893563 845864522 /nfs/dbraw/zinc/86/45/22/845864522.db2.gz IZPREZKQKXBIIK-IJLUTSLNSA-N 0 3 353.423 -0.791 20 0 FBADHN CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001227893569 845864397 /nfs/dbraw/zinc/86/43/97/845864397.db2.gz IZPREZKQKXBIIK-QJPTWQEYSA-N 0 3 353.423 -0.791 20 0 FBADHN COc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001227900829 845864570 /nfs/dbraw/zinc/86/45/70/845864570.db2.gz PUGICKOYRXAHBT-GHMZBOCLSA-N 0 3 352.395 -0.746 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC001227901155 845864237 /nfs/dbraw/zinc/86/42/37/845864237.db2.gz STSBEFNQCRMSAE-CHWSQXEVSA-N 0 3 366.447 -0.201 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(C)(C)C)NC1=O ZINC001227934053 845864334 /nfs/dbraw/zinc/86/43/34/845864334.db2.gz UAOUOMGWJWGXPJ-JHJVBQTASA-N 0 3 353.467 -0.058 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(C)(C)C)NC1=O ZINC001227934054 845864364 /nfs/dbraw/zinc/86/43/64/845864364.db2.gz UAOUOMGWJWGXPJ-UPJWGTAASA-N 0 3 353.467 -0.058 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001227934537 845865828 /nfs/dbraw/zinc/86/58/28/845865828.db2.gz ZGSMBWAQRHUWCX-NXEZZACHSA-N 0 3 352.395 -0.788 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001227939652 845865469 /nfs/dbraw/zinc/86/54/69/845865469.db2.gz AFLULWSVAVIWCT-BFHYXJOUSA-N 0 3 354.451 -0.708 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001227939654 845865464 /nfs/dbraw/zinc/86/54/64/845865464.db2.gz AFLULWSVAVIWCT-MGPQQGTHSA-N 0 3 354.451 -0.708 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001227940408 845865404 /nfs/dbraw/zinc/86/54/04/845865404.db2.gz IFFQQZCFJSUPEE-MCIONIFRSA-N 0 3 353.467 -0.201 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001227940409 845865631 /nfs/dbraw/zinc/86/56/31/845865631.db2.gz IFFQQZCFJSUPEE-MGPQQGTHSA-N 0 3 353.467 -0.201 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)NC1=O ZINC001227940427 845865502 /nfs/dbraw/zinc/86/55/02/845865502.db2.gz IMSKPAAZPHSMQK-MCIONIFRSA-N 0 3 351.451 -0.447 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)NC1=O ZINC001227940428 845865131 /nfs/dbraw/zinc/86/51/31/845865131.db2.gz IMSKPAAZPHSMQK-MGPQQGTHSA-N 0 3 351.451 -0.447 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC(N)=O ZINC001227940655 845865431 /nfs/dbraw/zinc/86/54/31/845865431.db2.gz KUJSYIMDXNALDU-IJLUTSLNSA-N 0 3 355.439 -0.639 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC(N)=O ZINC001227940657 845865803 /nfs/dbraw/zinc/86/58/03/845865803.db2.gz KUJSYIMDXNALDU-QJPTWQEYSA-N 0 3 355.439 -0.639 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001227940684 845865870 /nfs/dbraw/zinc/86/58/70/845865870.db2.gz LHPXXDPPOOLAGC-MCIONIFRSA-N 0 3 353.467 -0.057 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001227940685 845865078 /nfs/dbraw/zinc/86/50/78/845865078.db2.gz LHPXXDPPOOLAGC-MGPQQGTHSA-N 0 3 353.467 -0.057 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O)NCC(F)(F)F ZINC001227941421 845865787 /nfs/dbraw/zinc/86/57/87/845865787.db2.gz VASAQXJXCQIXPP-GMTAPVOTSA-N 0 3 364.368 -0.182 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O)NCC(F)(F)F ZINC001227941422 845865373 /nfs/dbraw/zinc/86/53/73/845865373.db2.gz VASAQXJXCQIXPP-HBNTYKKESA-N 0 3 364.368 -0.182 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC(N)=O ZINC001227941446 845865923 /nfs/dbraw/zinc/86/59/23/845865923.db2.gz VMCMJDXZDXEWJC-BFHYXJOUSA-N 0 3 356.467 -0.332 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC(N)=O ZINC001227941448 845865890 /nfs/dbraw/zinc/86/58/90/845865890.db2.gz VMCMJDXZDXEWJC-MGPQQGTHSA-N 0 3 356.467 -0.332 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001227941751 845865617 /nfs/dbraw/zinc/86/56/17/845865617.db2.gz YTLBFBVKLMPXJD-BFHYXJOUSA-N 0 3 354.451 -0.708 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001227941753 845865778 /nfs/dbraw/zinc/86/57/78/845865778.db2.gz YTLBFBVKLMPXJD-MGPQQGTHSA-N 0 3 354.451 -0.708 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC(N)=O ZINC001227948717 845865689 /nfs/dbraw/zinc/86/56/89/845865689.db2.gz GQVGQVKGDOCCIH-BFHYXJOUSA-N 0 3 356.467 -0.332 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC(N)=O ZINC001227948718 845865940 /nfs/dbraw/zinc/86/59/40/845865940.db2.gz GQVGQVKGDOCCIH-MGPQQGTHSA-N 0 3 356.467 -0.332 20 0 FBADHN O=C(NC1CCN(CCOCCO)CC1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001227971012 845866601 /nfs/dbraw/zinc/86/66/01/845866601.db2.gz WYIOWZNDDUGDIY-OLZOCXBDSA-N 0 3 370.368 -0.078 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001227999305 845866584 /nfs/dbraw/zinc/86/65/84/845866584.db2.gz CJPUBUHKZSKNAF-UTUOFQBUSA-N 0 3 353.423 -0.920 20 0 FBADHN Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC(F)(F)F)n1 ZINC001227999745 845867008 /nfs/dbraw/zinc/86/70/08/845867008.db2.gz IXTMONXNZPUFLP-RKDXNWHRSA-N 0 3 363.344 -0.481 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cnn1C ZINC001228051138 845868757 /nfs/dbraw/zinc/86/87/57/845868757.db2.gz MLEGQHQSCRYZSK-VXGBXAGGSA-N 0 3 350.423 -0.185 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001228061996 845868900 /nfs/dbraw/zinc/86/89/00/845868900.db2.gz WXVBCUCSVYCKNS-OKWIKPQFSA-N 0 3 352.435 -0.259 20 0 FBADHN CC(C)[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001228069909 845869059 /nfs/dbraw/zinc/86/90/59/845869059.db2.gz PZVKVBWTCMDXBA-IOASZLSFSA-N 0 3 356.442 -0.044 20 0 FBADHN CC(C)[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001228069912 845868997 /nfs/dbraw/zinc/86/89/97/845868997.db2.gz PZVKVBWTCMDXBA-XJKCOSOUSA-N 0 3 356.442 -0.044 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCC(=O)NC1 ZINC001228130970 845870601 /nfs/dbraw/zinc/87/06/01/845870601.db2.gz UEELSPGDWRUWDH-GLKRBJQHSA-N 0 3 353.423 -0.885 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCC(=O)NC1 ZINC001228130973 845869962 /nfs/dbraw/zinc/86/99/62/845869962.db2.gz UEELSPGDWRUWDH-UVWXRNBGSA-N 0 3 353.423 -0.885 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228136695 845870237 /nfs/dbraw/zinc/87/02/37/845870237.db2.gz ALHPNDNGQZVEIN-NXEZZACHSA-N 0 3 350.379 -0.684 20 0 FBADHN C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CCC(=O)NC1 ZINC001228137659 845870582 /nfs/dbraw/zinc/87/05/82/845870582.db2.gz JHHBWHCSKXUDDD-IOASZLSFSA-N 0 3 359.492 -0.036 20 0 FBADHN C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CCC(=O)NC1 ZINC001228137661 845870520 /nfs/dbraw/zinc/87/05/20/845870520.db2.gz JHHBWHCSKXUDDD-XJKCOSOUSA-N 0 3 359.492 -0.036 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001228138567 845870116 /nfs/dbraw/zinc/87/01/16/845870116.db2.gz SYCVXAQCCQRLLR-VXGBXAGGSA-N 0 3 371.463 -0.330 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)N1C ZINC001228143864 845870160 /nfs/dbraw/zinc/87/01/60/845870160.db2.gz CJPUBUHKZSKNAF-IJLUTSLNSA-N 0 3 353.423 -0.920 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001228183761 845871073 /nfs/dbraw/zinc/87/10/73/845871073.db2.gz NSNCOWFQBIWJSB-HSMVNMDESA-N 0 3 358.414 -0.022 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001228183763 845871471 /nfs/dbraw/zinc/87/14/71/845871471.db2.gz NSNCOWFQBIWJSB-XHBSWPGZSA-N 0 3 358.414 -0.022 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ncccc1F ZINC001228188578 845871311 /nfs/dbraw/zinc/87/13/11/845871311.db2.gz FXLSYYYDGYVDLK-VXGBXAGGSA-N 0 3 351.382 -0.025 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C)n1C ZINC001228190559 845870995 /nfs/dbraw/zinc/87/09/95/845870995.db2.gz XONNWPCJWRUXMY-VXGBXAGGSA-N 0 3 350.423 -0.185 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccoc1CC(N)=O ZINC001228197908 845871427 /nfs/dbraw/zinc/87/14/27/845871427.db2.gz WNOFSTZIDXIYBE-CHWSQXEVSA-N 0 3 371.459 -0.017 20 0 FBADHN Cn1cc(OCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cn1 ZINC001228223966 845872243 /nfs/dbraw/zinc/87/22/43/845872243.db2.gz BYXSHRKRPRTKMQ-VXGBXAGGSA-N 0 3 352.395 -0.989 20 0 FBADHN Cn1cc(OCC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)cn1 ZINC001228232832 845872789 /nfs/dbraw/zinc/87/27/89/845872789.db2.gz YLMHJHVZCFQDIA-ZIAGYGMSSA-N 0 3 358.464 -0.140 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1)NCC(F)(F)F ZINC001228255480 845872895 /nfs/dbraw/zinc/87/28/95/845872895.db2.gz XWGBIRMFSUHXIN-BBBLOLIVSA-N 0 3 365.356 -0.637 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1)NCC(F)(F)F ZINC001228255481 845872467 /nfs/dbraw/zinc/87/24/67/845872467.db2.gz XWGBIRMFSUHXIN-OPRDCNLKSA-N 0 3 365.356 -0.637 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1)NC1CCCC1 ZINC001228260532 845873711 /nfs/dbraw/zinc/87/37/11/845873711.db2.gz CALMRZHDPCDRAL-MCIONIFRSA-N 0 3 351.451 -0.256 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1)NC1CCCC1 ZINC001228260533 845873502 /nfs/dbraw/zinc/87/35/02/845873502.db2.gz CALMRZHDPCDRAL-MGPQQGTHSA-N 0 3 351.451 -0.256 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1)NCC1CCC1 ZINC001228260963 845873815 /nfs/dbraw/zinc/87/38/15/845873815.db2.gz HEKFXVMRVLJWJV-MCIONIFRSA-N 0 3 351.451 -0.399 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1)NCC1CCC1 ZINC001228260980 845874131 /nfs/dbraw/zinc/87/41/31/845874131.db2.gz HEKFXVMRVLJWJV-MGPQQGTHSA-N 0 3 351.451 -0.399 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228261874 845874101 /nfs/dbraw/zinc/87/41/01/845874101.db2.gz OGYXIVNJBIVEFX-MCIONIFRSA-N 0 3 353.467 -0.010 20 0 FBADHN CCC(CC)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228261880 845873749 /nfs/dbraw/zinc/87/37/49/845873749.db2.gz OGYXIVNJBIVEFX-MGPQQGTHSA-N 0 3 353.467 -0.010 20 0 FBADHN CC(C)(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228262627 845873610 /nfs/dbraw/zinc/87/36/10/845873610.db2.gz VZAWSPLHPNOBDL-JHJVBQTASA-N 0 3 353.467 -0.153 20 0 FBADHN CC(C)(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228262628 845874392 /nfs/dbraw/zinc/87/43/92/845874392.db2.gz VZAWSPLHPNOBDL-UPJWGTAASA-N 0 3 353.467 -0.153 20 0 FBADHN CCC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228262869 845873869 /nfs/dbraw/zinc/87/38/69/845873869.db2.gz YCDPLBJEZDJQTH-JHJVBQTASA-N 0 3 353.467 -0.010 20 0 FBADHN CCC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228262871 845874269 /nfs/dbraw/zinc/87/42/69/845874269.db2.gz YCDPLBJEZDJQTH-UPJWGTAASA-N 0 3 353.467 -0.010 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001228277074 845873574 /nfs/dbraw/zinc/87/35/74/845873574.db2.gz BJXGYPZAEYDOTG-VXGBXAGGSA-N 0 3 369.509 -0.883 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc(F)cc1 ZINC001228277507 845873682 /nfs/dbraw/zinc/87/36/82/845873682.db2.gz FIBPOHPQGKPDCL-ZIAGYGMSSA-N 0 3 350.394 -0.056 20 0 FBADHN Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001228277603 845873763 /nfs/dbraw/zinc/87/37/63/845873763.db2.gz GKGGESNWQZYWBD-CHWSQXEVSA-N 0 3 358.468 -0.599 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001228278105 845873596 /nfs/dbraw/zinc/87/35/96/845873596.db2.gz LZBDSXPISOCRSH-CHWSQXEVSA-N 0 3 362.496 -0.403 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001228278113 845873651 /nfs/dbraw/zinc/87/36/51/845873651.db2.gz MFWRKXBWJOLTEC-CHWSQXEVSA-N 0 3 362.496 -0.402 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC1CCCC1 ZINC001228278817 845873903 /nfs/dbraw/zinc/87/39/03/845873903.db2.gz VUXMVVBYCCHGMN-VXGBXAGGSA-N 0 3 353.423 -0.743 20 0 FBADHN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)NC(=O)NC(C)(C)C ZINC001228278966 845873831 /nfs/dbraw/zinc/87/38/31/845873831.db2.gz YGPHTUDPRFHUJC-GMTAPVOTSA-N 0 3 355.439 -0.499 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)NC(=O)NC(C)(C)C ZINC001228278967 845874002 /nfs/dbraw/zinc/87/40/02/845874002.db2.gz YGPHTUDPRFHUJC-HBNTYKKESA-N 0 3 355.439 -0.499 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001228279038 845874365 /nfs/dbraw/zinc/87/43/65/845874365.db2.gz ZMMOQNVLIFIGHF-CHWSQXEVSA-N 0 3 360.480 -0.649 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)CCCS(N)(=O)=O)n[nH]1 ZINC001228287985 845874883 /nfs/dbraw/zinc/87/48/83/845874883.db2.gz LEXWDYNKDZUHOU-VXGBXAGGSA-N 0 3 358.468 -0.301 20 0 FBADHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228295294 845875203 /nfs/dbraw/zinc/87/52/03/845875203.db2.gz GCQQEKUPRISMBF-IJLUTSLNSA-N 0 3 355.439 -0.641 20 0 FBADHN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228295298 845874906 /nfs/dbraw/zinc/87/49/06/845874906.db2.gz GCQQEKUPRISMBF-QJPTWQEYSA-N 0 3 355.439 -0.641 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCc1ccsc1 ZINC001228295377 845874915 /nfs/dbraw/zinc/87/49/15/845874915.db2.gz HCCMDFLGGYIXKP-CHWSQXEVSA-N 0 3 352.460 -0.091 20 0 FBADHN CC(C)CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228295575 845875274 /nfs/dbraw/zinc/87/52/74/845875274.db2.gz JUXOLDZOERMQED-ZIAGYGMSSA-N 0 3 356.467 -0.332 20 0 FBADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccccc1F ZINC001228296673 845875098 /nfs/dbraw/zinc/87/50/98/845875098.db2.gz XSFYZRCYAQTRRI-ZIAGYGMSSA-N 0 3 350.394 -0.056 20 0 FBADHN NC(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC(F)(F)F)CC1 ZINC001228312106 845874893 /nfs/dbraw/zinc/87/48/93/845874893.db2.gz BKIJSXZWGNOHQT-NXEZZACHSA-N 0 3 364.368 -0.053 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001228312279 845876258 /nfs/dbraw/zinc/87/62/58/845876258.db2.gz FSIVCVCZJSJDEX-GHMZBOCLSA-N 0 3 353.423 -0.885 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001228312999 845876064 /nfs/dbraw/zinc/87/60/64/845876064.db2.gz RMZXJJKEAQOLGU-CHWSQXEVSA-N 0 3 354.451 -0.578 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001228313393 845876024 /nfs/dbraw/zinc/87/60/24/845876024.db2.gz ZRFUZXLAVKBGNE-CHWSQXEVSA-N 0 3 354.451 -0.578 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2CCN(CCOCCO)CC2)O1 ZINC001228350990 845877097 /nfs/dbraw/zinc/87/70/97/845877097.db2.gz WCXUMKWMCXQSJN-CABCVRRESA-N 0 3 357.451 -0.611 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC001228450348 845879370 /nfs/dbraw/zinc/87/93/70/845879370.db2.gz ORBFCHNUQHFTDC-UVWXRNBGSA-N 0 3 353.423 -0.872 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](COC)OC ZINC001228486282 845880051 /nfs/dbraw/zinc/88/00/51/845880051.db2.gz KRCOAOVTQWUGRQ-KFWWJZLASA-N 0 3 359.467 -0.183 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](COC)OC ZINC001228486283 845880558 /nfs/dbraw/zinc/88/05/58/845880558.db2.gz KRCOAOVTQWUGRQ-RBSFLKMASA-N 0 3 359.467 -0.183 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](COC)OC ZINC001228487476 845880230 /nfs/dbraw/zinc/88/02/30/845880230.db2.gz UTKIQTGLFFIGJI-JHJVBQTASA-N 0 3 358.439 -0.490 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](COC)OC ZINC001228487477 845880339 /nfs/dbraw/zinc/88/03/39/845880339.db2.gz UTKIQTGLFFIGJI-UPJWGTAASA-N 0 3 358.439 -0.490 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](COC)OC ZINC001228487484 845880590 /nfs/dbraw/zinc/88/05/90/845880590.db2.gz UXFQAEZNPVHXCN-KFWWJZLASA-N 0 3 359.467 -0.183 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](COC)OC ZINC001228487485 845880311 /nfs/dbraw/zinc/88/03/11/845880311.db2.gz UXFQAEZNPVHXCN-RBSFLKMASA-N 0 3 359.467 -0.183 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCC(=O)N1 ZINC001228538589 845882216 /nfs/dbraw/zinc/88/22/16/845882216.db2.gz PAGGZTHBWSBFPV-IJLUTSLNSA-N 0 3 353.423 -0.743 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC001228538590 845882307 /nfs/dbraw/zinc/88/23/07/845882307.db2.gz PAGGZTHBWSBFPV-UTUOFQBUSA-N 0 3 353.423 -0.743 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C1(CF)CC1)N1CCNC(=O)C1 ZINC001228549191 845882625 /nfs/dbraw/zinc/88/26/25/845882625.db2.gz ONOCRKGYTUNYNE-CHWSQXEVSA-N 0 3 354.426 -0.289 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(N)=O)co1 ZINC001228550204 845882125 /nfs/dbraw/zinc/88/21/25/845882125.db2.gz ZNXVLTXKPYLLDK-NXEZZACHSA-N 0 3 351.363 -0.796 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001228576620 845883760 /nfs/dbraw/zinc/88/37/60/845883760.db2.gz YORNLZWCMMMRLC-SYQHCUMBSA-N 0 3 354.451 -0.615 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228584790 845883576 /nfs/dbraw/zinc/88/35/76/845883576.db2.gz MHIYTKDHQBKZLP-FVCCEPFGSA-N 0 3 361.464 -0.919 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228584806 845883562 /nfs/dbraw/zinc/88/35/62/845883562.db2.gz MQZDWKSITOOUHZ-YIYPIFLZSA-N 0 3 354.451 -0.438 20 0 FBADHN Cn1cc(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)c(Cl)n1 ZINC001228584953 845883266 /nfs/dbraw/zinc/88/32/66/845883266.db2.gz PFWCAEMPTRKQTI-GHMZBOCLSA-N 0 3 370.841 -0.172 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228585962 845883800 /nfs/dbraw/zinc/88/38/00/845883800.db2.gz XFZUPRUYADYCKU-YIYPIFLZSA-N 0 3 354.451 -0.439 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CC2)O1 ZINC001228585980 845883286 /nfs/dbraw/zinc/88/32/86/845883286.db2.gz XIJRYCXCIYSTRK-YIYPIFLZSA-N 0 3 352.435 -0.685 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001228610741 845883423 /nfs/dbraw/zinc/88/34/23/845883423.db2.gz KIUGNTSUHKYHIM-XJFOESAGSA-N 0 3 359.492 -0.050 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001228611414 845883451 /nfs/dbraw/zinc/88/34/51/845883451.db2.gz XOOOPJOPUQFGOG-WRWGMCAJSA-N 0 3 353.423 -0.900 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001228617722 845883689 /nfs/dbraw/zinc/88/36/89/845883689.db2.gz AEPAWDLJNHHLQF-XJFOESAGSA-N 0 3 354.451 -0.723 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001228617845 845883774 /nfs/dbraw/zinc/88/37/74/845883774.db2.gz DABJKFPPGCXTAY-LMLFDSFASA-N 0 3 364.368 -0.197 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001228617870 845883184 /nfs/dbraw/zinc/88/31/84/845883184.db2.gz DQGKMTSYNMQQNF-XJFOESAGSA-N 0 3 354.451 -0.723 20 0 FBADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001228617877 845884672 /nfs/dbraw/zinc/88/46/72/845884672.db2.gz DWWHWEQZAZELOG-REWJHTLYSA-N 0 3 359.492 -0.228 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CF)CCOCC1 ZINC001228618982 845884563 /nfs/dbraw/zinc/88/45/63/845884563.db2.gz QDLWAOUKQICFJC-VXGBXAGGSA-N 0 3 358.414 -0.035 20 0 FBADHN Cn1ncc(CCC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)n1 ZINC001228632275 845884530 /nfs/dbraw/zinc/88/45/30/845884530.db2.gz HBJJHBHSRSWWBJ-ZIAGYGMSSA-N 0 3 357.480 -0.191 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001228639036 845884553 /nfs/dbraw/zinc/88/45/53/845884553.db2.gz COWJIKZEPPRSDL-GHMZBOCLSA-N 0 3 356.448 -0.211 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(C)n1 ZINC001228661430 845884821 /nfs/dbraw/zinc/88/48/21/845884821.db2.gz TUPOYCJRQGVFSU-CHWSQXEVSA-N 0 3 350.423 -0.336 20 0 FBADHN CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001228721836 845885621 /nfs/dbraw/zinc/88/56/21/845885621.db2.gz OXQPGALUVOWRFG-JHJVBQTASA-N 0 3 355.439 -0.626 20 0 FBADHN CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001228721837 845885824 /nfs/dbraw/zinc/88/58/24/845885824.db2.gz OXQPGALUVOWRFG-YNEHKIRRSA-N 0 3 355.439 -0.626 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001228791273 845886433 /nfs/dbraw/zinc/88/64/33/845886433.db2.gz BOMPEZUEPBIYOJ-IACUBPJLSA-N 0 3 357.480 -0.125 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001228791274 845886839 /nfs/dbraw/zinc/88/68/39/845886839.db2.gz BOMPEZUEPBIYOJ-MRVWCRGKSA-N 0 3 357.480 -0.125 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)NS(C)(=O)=O)n[nH]1 ZINC001228791313 845886893 /nfs/dbraw/zinc/88/68/93/845886893.db2.gz DQTSJWTZROSWOT-MVWJERBFSA-N 0 3 358.468 -0.432 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)NS(C)(=O)=O)n[nH]1 ZINC001228791314 845886636 /nfs/dbraw/zinc/88/66/36/845886636.db2.gz DQTSJWTZROSWOT-YUSALJHKSA-N 0 3 358.468 -0.432 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001228791432 845888013 /nfs/dbraw/zinc/88/80/13/845888013.db2.gz HKTBGNBLZGYHNP-CYZMBNFOSA-N 0 3 358.468 -0.730 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001228791433 845888232 /nfs/dbraw/zinc/88/82/32/845888232.db2.gz HKTBGNBLZGYHNP-RAIGVLPGSA-N 0 3 358.468 -0.730 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001228791529 845888273 /nfs/dbraw/zinc/88/82/73/845888273.db2.gz IZPXTKRWNSDZQE-IACUBPJLSA-N 0 3 357.480 -0.125 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001228791537 845888038 /nfs/dbraw/zinc/88/80/38/845888038.db2.gz IZPXTKRWNSDZQE-MRVWCRGKSA-N 0 3 357.480 -0.125 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001228791682 845888320 /nfs/dbraw/zinc/88/83/20/845888320.db2.gz MWHVMDLWMWGOGG-JHJVBQTASA-N 0 3 362.496 -0.533 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NS(C)(=O)=O ZINC001228791684 845888187 /nfs/dbraw/zinc/88/81/87/845888187.db2.gz MWHVMDLWMWGOGG-YNEHKIRRSA-N 0 3 362.496 -0.533 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001228791817 845888264 /nfs/dbraw/zinc/88/82/64/845888264.db2.gz OYOWDMDIIKCMSP-CYZMBNFOSA-N 0 3 360.480 -0.780 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001228791818 845887881 /nfs/dbraw/zinc/88/78/81/845887881.db2.gz OYOWDMDIIKCMSP-RAIGVLPGSA-N 0 3 360.480 -0.780 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001228791823 845887602 /nfs/dbraw/zinc/88/76/02/845887602.db2.gz PFGRLHSUAFVRQS-JHJVBQTASA-N 0 3 362.496 -0.534 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NS(C)(=O)=O ZINC001228791825 845888137 /nfs/dbraw/zinc/88/81/37/845888137.db2.gz PFGRLHSUAFVRQS-YNEHKIRRSA-N 0 3 362.496 -0.534 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001228792051 845888283 /nfs/dbraw/zinc/88/82/83/845888283.db2.gz VAJZBGVEJBXIOH-IACUBPJLSA-N 0 3 357.480 -0.125 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001228792052 845888301 /nfs/dbraw/zinc/88/83/01/845888301.db2.gz VAJZBGVEJBXIOH-MRVWCRGKSA-N 0 3 357.480 -0.125 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001228811114 845889207 /nfs/dbraw/zinc/88/92/07/845889207.db2.gz DEBRBRHUCAFKOH-UTUOFQBUSA-N 0 3 353.423 -0.872 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001228812024 845888817 /nfs/dbraw/zinc/88/88/17/845888817.db2.gz NPJBHGYBLMSYKN-UTUOFQBUSA-N 0 3 353.423 -0.874 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(Cl)cn1 ZINC001228820340 845888797 /nfs/dbraw/zinc/88/87/97/845888797.db2.gz LGNQKPWBIUNFNR-GHMZBOCLSA-N 0 3 356.814 -0.252 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccc1C ZINC001228835601 845889168 /nfs/dbraw/zinc/88/91/68/845889168.db2.gz HASCMMDLIOMVKE-CHWSQXEVSA-N 0 3 350.423 -0.336 20 0 FBADHN CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001228842621 845889086 /nfs/dbraw/zinc/88/90/86/845889086.db2.gz LJZHGMWOQKGXCU-HUUCEWRRSA-N 0 3 369.491 -0.005 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001228877187 845890376 /nfs/dbraw/zinc/89/03/76/845890376.db2.gz AWAGZORAAIKXAU-BFHYXJOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001228877188 845890461 /nfs/dbraw/zinc/89/04/61/845890461.db2.gz AWAGZORAAIKXAU-MGPQQGTHSA-N 0 3 359.492 -0.036 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCS(=O)(=O)CC1 ZINC001228877336 845890606 /nfs/dbraw/zinc/89/06/06/845890606.db2.gz DVZUFOJSRJEVHW-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001228877872 845889859 /nfs/dbraw/zinc/88/98/59/845889859.db2.gz MXNACHKGNQQZON-BFHYXJOUSA-N 0 3 359.492 -0.084 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001228877873 845890041 /nfs/dbraw/zinc/89/00/41/845890041.db2.gz MXNACHKGNQQZON-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCS(=O)(=O)CC1 ZINC001228878172 845890415 /nfs/dbraw/zinc/89/04/15/845890415.db2.gz RCIWKLBMPPHKJC-ZIAGYGMSSA-N 0 3 359.492 -0.084 20 0 FBADHN CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC ZINC001228878479 845890177 /nfs/dbraw/zinc/89/01/77/845890177.db2.gz VZWJWHCZRQOFHT-CHWSQXEVSA-N 0 3 362.496 -0.579 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C1CCS(=O)(=O)CC1 ZINC001228878515 845889823 /nfs/dbraw/zinc/88/98/23/845889823.db2.gz WVSQWFDFDISOLQ-IACUBPJLSA-N 0 3 359.492 -0.037 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C1CCS(=O)(=O)CC1 ZINC001228878516 845890003 /nfs/dbraw/zinc/89/00/03/845890003.db2.gz WVSQWFDFDISOLQ-MRVWCRGKSA-N 0 3 359.492 -0.037 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)S(C)(=O)=O ZINC001228884345 845890640 /nfs/dbraw/zinc/89/06/40/845890640.db2.gz AUWDHRCOXQVWQY-NXEZZACHSA-N 0 3 362.452 -0.979 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC[C@@H]1CCOC1 ZINC001228885509 845890646 /nfs/dbraw/zinc/89/06/46/845890646.db2.gz NPPZFELEPRLXEX-JHJVBQTASA-N 0 3 356.423 -0.749 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC[C@H]1CCOC1 ZINC001228885512 845889959 /nfs/dbraw/zinc/88/99/59/845889959.db2.gz NPPZFELEPRLXEX-YNEHKIRRSA-N 0 3 356.423 -0.749 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O)S(C)(=O)=O ZINC001228885732 845889779 /nfs/dbraw/zinc/88/97/79/845889779.db2.gz OXNKBBUGUSEHEM-VXGBXAGGSA-N 0 3 368.521 -0.129 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC1CCOCC1 ZINC001228892846 845891558 /nfs/dbraw/zinc/89/15/58/845891558.db2.gz WKWCFTSPCZARGJ-CHWSQXEVSA-N 0 3 356.423 -0.606 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OCCOC ZINC001228908552 845891047 /nfs/dbraw/zinc/89/10/47/845891047.db2.gz QHOOHUGVHXVSGL-JHJVBQTASA-N 0 3 358.439 -0.490 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OCCOC ZINC001228908553 845891352 /nfs/dbraw/zinc/89/13/52/845891352.db2.gz QHOOHUGVHXVSGL-YNEHKIRRSA-N 0 3 358.439 -0.490 20 0 FBADHN CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)n1 ZINC001228932774 845892621 /nfs/dbraw/zinc/89/26/21/845892621.db2.gz VVAVCVSBIHTPOK-VXGBXAGGSA-N 0 3 350.423 -0.011 20 0 FBADHN COc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001228955200 845892263 /nfs/dbraw/zinc/89/22/63/845892263.db2.gz DAQKWWVQVKAXKD-NXEZZACHSA-N 0 3 350.379 -0.689 20 0 FBADHN COCc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)no1 ZINC001228976991 845893345 /nfs/dbraw/zinc/89/33/45/845893345.db2.gz OFAFEZDOCBDIIJ-GHMZBOCLSA-N 0 3 353.379 -0.354 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001228984913 845893365 /nfs/dbraw/zinc/89/33/65/845893365.db2.gz RGCJZAIEVOSWRO-IOASZLSFSA-N 0 3 356.467 -0.463 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)N(C)C ZINC001228990030 845893278 /nfs/dbraw/zinc/89/32/78/845893278.db2.gz KACVCENHYCMDDP-ZIAGYGMSSA-N 0 3 356.467 -0.366 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)NS(C)(=O)=O ZINC001228990180 845893220 /nfs/dbraw/zinc/89/32/20/845893220.db2.gz MMLRJILETSPVAY-VXGBXAGGSA-N 0 3 362.496 -0.533 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001228990445 845893140 /nfs/dbraw/zinc/89/31/40/845893140.db2.gz QJSMJVLHLINDQJ-BZPMIXESSA-N 0 3 362.496 -0.677 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)N(C)C ZINC001228999002 845893448 /nfs/dbraw/zinc/89/34/48/845893448.db2.gz NEOBEMQQGOOBOD-ZIAGYGMSSA-N 0 3 356.467 -0.366 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)N(C)C ZINC001229000022 845893664 /nfs/dbraw/zinc/89/36/64/845893664.db2.gz ZWXRBWAPCJMLPD-VXGBXAGGSA-N 0 3 355.439 -0.673 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nnnc1C(C)C ZINC001229014395 845894151 /nfs/dbraw/zinc/89/41/51/845894151.db2.gz HNBIPUXZLJSRJA-CHWSQXEVSA-N 0 3 351.455 -0.050 20 0 FBADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(F)cc1 ZINC001229015435 845894238 /nfs/dbraw/zinc/89/42/38/845894238.db2.gz ZZPZLTCOBVTEEG-ZIAGYGMSSA-N 0 3 350.394 -0.056 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cn[nH]c1 ZINC001229046444 845894527 /nfs/dbraw/zinc/89/45/27/845894527.db2.gz PBUNCTWVXGFICV-CHWSQXEVSA-N 0 3 350.423 -0.185 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001229053954 845894324 /nfs/dbraw/zinc/89/43/24/845894324.db2.gz DXYVEYWTABRJMX-JHJVBQTASA-N 0 3 360.480 -0.827 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001229053956 845894375 /nfs/dbraw/zinc/89/43/75/845894375.db2.gz DXYVEYWTABRJMX-UPJWGTAASA-N 0 3 360.480 -0.827 20 0 FBADHN CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229069153 845895533 /nfs/dbraw/zinc/89/55/33/845895533.db2.gz DJCFSEMFTPTEFC-VXGBXAGGSA-N 0 3 355.439 -0.639 20 0 FBADHN CS(=O)(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229077567 845895376 /nfs/dbraw/zinc/89/53/76/845895376.db2.gz RKBMUNCPEYAECC-GHMZBOCLSA-N 0 3 362.452 -0.977 20 0 FBADHN CS(=O)(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001229083480 845895497 /nfs/dbraw/zinc/89/54/97/845895497.db2.gz CFVRYPZVLGCCRV-CHWSQXEVSA-N 0 3 368.521 -0.127 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)s1 ZINC001229094480 845895330 /nfs/dbraw/zinc/89/53/30/845895330.db2.gz NTYBDJVISYGKQO-RKDXNWHRSA-N 0 3 367.431 -0.328 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)n1 ZINC001229100329 845895608 /nfs/dbraw/zinc/89/56/08/845895608.db2.gz AKAWLHZBGBOIRZ-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001229100469 845895288 /nfs/dbraw/zinc/89/52/88/845895288.db2.gz CVPXTBXTZXDSRO-CHWSQXEVSA-N 0 3 352.435 -0.419 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)n1 ZINC001229100720 845895437 /nfs/dbraw/zinc/89/54/37/845895437.db2.gz FUYKWYWAEVSRKC-GHMZBOCLSA-N 0 3 351.411 -0.709 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001229100805 845895745 /nfs/dbraw/zinc/89/57/45/845895745.db2.gz ILJVFJJAMHSASX-VXGBXAGGSA-N 0 3 359.448 -0.899 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1)NC1CC1 ZINC001229101533 845895298 /nfs/dbraw/zinc/89/52/98/845895298.db2.gz PLVICBKIVUCEEY-CHWSQXEVSA-N 0 3 350.419 -0.665 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)n1 ZINC001229101641 845895309 /nfs/dbraw/zinc/89/53/09/845895309.db2.gz SOKBMAPXXFXJHY-CHWSQXEVSA-N 0 3 352.439 -0.402 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001229102014 845895339 /nfs/dbraw/zinc/89/53/39/845895339.db2.gz YWKSFRATNVQFCA-CHWSQXEVSA-N 0 3 352.435 -0.418 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CCN1CCOCC1 ZINC001229141931 845896389 /nfs/dbraw/zinc/89/63/89/845896389.db2.gz NIMGEIIYEOGPHG-HUUCEWRRSA-N 0 3 361.508 -0.230 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)NC(C)=O ZINC001229165344 845897356 /nfs/dbraw/zinc/89/73/56/845897356.db2.gz DRYILBLAVAYFGG-VXGBXAGGSA-N 0 3 355.439 -0.626 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(CCOCCO)CC2)O1 ZINC001229178266 845898127 /nfs/dbraw/zinc/89/81/27/845898127.db2.gz LNRLBLIFGLWDIE-CABCVRRESA-N 0 3 357.451 -0.788 20 0 FBADHN CCn1nc(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)ccc1=O ZINC001229180555 845897961 /nfs/dbraw/zinc/89/79/61/845897961.db2.gz LTSVWEILEDPJCF-CHWSQXEVSA-N 0 3 370.475 -0.062 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CCOCC1 ZINC001229187959 845897628 /nfs/dbraw/zinc/89/76/28/845897628.db2.gz MHGUDASMPIETKT-ZIAGYGMSSA-N 0 3 354.451 -0.708 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001229215701 845898879 /nfs/dbraw/zinc/89/88/79/845898879.db2.gz ZXLHSQWGMCELOE-VXGBXAGGSA-N 0 3 366.447 -0.201 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1)NC[C@H]1CCCO1 ZINC001229222330 845899581 /nfs/dbraw/zinc/89/95/81/845899581.db2.gz JGPGXTRUJYULLU-JHJVBQTASA-N 0 3 351.407 -0.005 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1)NC[C@@H]1CCCO1 ZINC001229222332 845899568 /nfs/dbraw/zinc/89/95/68/845899568.db2.gz JGPGXTRUJYULLU-YNEHKIRRSA-N 0 3 351.407 -0.005 20 0 FBADHN CCCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 ZINC001229222774 845898799 /nfs/dbraw/zinc/89/87/99/845898799.db2.gz JXPRUBBKGQZVQU-GHMZBOCLSA-N 0 3 352.395 -0.064 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1)NC(=O)NC1CC1 ZINC001229222944 845899543 /nfs/dbraw/zinc/89/95/43/845899543.db2.gz NBIQUIOLEFTKSJ-GHMZBOCLSA-N 0 3 350.379 -0.312 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1)NC1CCOCC1 ZINC001229223513 845899630 /nfs/dbraw/zinc/89/96/30/845899630.db2.gz PZOVZGVPEZRSFU-CHWSQXEVSA-N 0 3 351.407 -0.005 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1)NC[C@H]1CCOC1 ZINC001229238722 845900494 /nfs/dbraw/zinc/90/04/94/845900494.db2.gz SWXOIYLAYORRMY-JHJVBQTASA-N 0 3 351.407 -0.147 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1)NC[C@@H]1CCOC1 ZINC001229238723 845900031 /nfs/dbraw/zinc/90/00/31/845900031.db2.gz SWXOIYLAYORRMY-YNEHKIRRSA-N 0 3 351.407 -0.147 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n(C)n1 ZINC001229286374 845900199 /nfs/dbraw/zinc/90/01/99/845900199.db2.gz AKIKSVLFDKOZNF-VXGBXAGGSA-N 0 3 350.423 -0.192 20 0 FBADHN CC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001229294308 845900130 /nfs/dbraw/zinc/90/01/30/845900130.db2.gz CBIXGHKCPMVNCC-CHWSQXEVSA-N 0 3 351.455 -0.005 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001229294363 845900364 /nfs/dbraw/zinc/90/03/64/845900364.db2.gz DMLBEUFSCGNAHP-ZIAGYGMSSA-N 0 3 351.455 -0.004 20 0 FBADHN CC[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001229295351 845900163 /nfs/dbraw/zinc/90/01/63/845900163.db2.gz NYEASELYTKUANG-BFHYXJOUSA-N 0 3 351.455 -0.005 20 0 FBADHN CC[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001229295352 845900343 /nfs/dbraw/zinc/90/03/43/845900343.db2.gz NYEASELYTKUANG-MGPQQGTHSA-N 0 3 351.455 -0.005 20 0 FBADHN CC(C)CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001229307789 845900286 /nfs/dbraw/zinc/90/02/86/845900286.db2.gz GFFHQYVAXZVXBU-ZIAGYGMSSA-N 0 3 351.455 -0.148 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001229327571 845901864 /nfs/dbraw/zinc/90/18/64/845901864.db2.gz UHHKOCVHUOERJP-VXGBXAGGSA-N 0 3 356.448 -0.211 20 0 FBADHN O=C(NCC(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCCNC1=O ZINC001229346209 845902532 /nfs/dbraw/zinc/90/25/32/845902532.db2.gz ATXQHTVGSWMHOU-GMTAPVOTSA-N 0 3 364.368 -0.040 20 0 FBADHN O=C(NCC(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCCNC1=O ZINC001229346212 845902707 /nfs/dbraw/zinc/90/27/07/845902707.db2.gz ATXQHTVGSWMHOU-MXWKQRLJSA-N 0 3 364.368 -0.040 20 0 FBADHN O=C(NCC(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O ZINC001229346710 845902963 /nfs/dbraw/zinc/90/29/63/845902963.db2.gz IXASIQCDTVXSDB-BBBLOLIVSA-N 0 3 350.341 -0.430 20 0 FBADHN O=C(NCC(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O ZINC001229346715 845902408 /nfs/dbraw/zinc/90/24/08/845902408.db2.gz IXASIQCDTVXSDB-OPRDCNLKSA-N 0 3 350.341 -0.430 20 0 FBADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001229347047 845902552 /nfs/dbraw/zinc/90/25/52/845902552.db2.gz KNGJWGGHXNWFJF-NXEZZACHSA-N 0 3 352.357 -0.230 20 0 FBADHN CN1CC[C@@H](N[C@@H]2CCCC[C@H]2NC(=O)C(=O)NCC(F)(F)F)C1=O ZINC001229347487 845902889 /nfs/dbraw/zinc/90/28/89/845902889.db2.gz OLXHKHCLNJHHQB-GMTAPVOTSA-N 0 3 364.368 -0.087 20 0 FBADHN CN1CC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)C(=O)NCC(F)(F)F)C1=O ZINC001229347489 845902314 /nfs/dbraw/zinc/90/23/14/845902314.db2.gz OLXHKHCLNJHHQB-MXWKQRLJSA-N 0 3 364.368 -0.087 20 0 FBADHN CC[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F)C(N)=O ZINC001229347912 845902510 /nfs/dbraw/zinc/90/25/10/845902510.db2.gz WGBRHYAKQQVORB-IVZWLZJFSA-N 0 3 352.357 -0.054 20 0 FBADHN CC[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F)C(N)=O ZINC001229347913 845902668 /nfs/dbraw/zinc/90/26/68/845902668.db2.gz WGBRHYAKQQVORB-OPRDCNLKSA-N 0 3 352.357 -0.054 20 0 FBADHN CNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001229348012 845902739 /nfs/dbraw/zinc/90/27/39/845902739.db2.gz ZRLSXKYPTRIRRV-IVZWLZJFSA-N 0 3 352.357 -0.184 20 0 FBADHN CNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001229348013 845902975 /nfs/dbraw/zinc/90/29/75/845902975.db2.gz ZRLSXKYPTRIRRV-OPRDCNLKSA-N 0 3 352.357 -0.184 20 0 FBADHN CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)nn1 ZINC001229355163 845902917 /nfs/dbraw/zinc/90/29/17/845902917.db2.gz WBDALJUTSZOZGL-GHMZBOCLSA-N 0 3 351.411 -0.486 20 0 FBADHN O=C(NCC1CC1)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001229373455 845902650 /nfs/dbraw/zinc/90/26/50/845902650.db2.gz LBBYNECLIVFZHC-JHJVBQTASA-N 0 3 350.419 -0.665 20 0 FBADHN O=C(NCC1CC1)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001229373456 845902758 /nfs/dbraw/zinc/90/27/58/845902758.db2.gz LBBYNECLIVFZHC-UPJWGTAASA-N 0 3 350.419 -0.665 20 0 FBADHN CS(=O)(=O)NCCN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001229373484 845902459 /nfs/dbraw/zinc/90/24/59/845902459.db2.gz LNIYSYLNBJQGQN-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001229380921 845903779 /nfs/dbraw/zinc/90/37/79/845903779.db2.gz GEPKVGAGSHSLPQ-NXEZZACHSA-N 0 3 352.357 -0.182 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F)NC1CC1 ZINC001229380942 845904302 /nfs/dbraw/zinc/90/43/02/845904302.db2.gz HQYVZSQBLQXORI-GHMZBOCLSA-N 0 3 364.368 -0.040 20 0 FBADHN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC1)C(=O)NC(N)=O ZINC001229381487 845903656 /nfs/dbraw/zinc/90/36/56/845903656.db2.gz OIVGXLULVVBDNE-MVWJERBFSA-N 0 3 353.423 -0.887 20 0 FBADHN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC1)C(=O)NC(N)=O ZINC001229381490 845904189 /nfs/dbraw/zinc/90/41/89/845904189.db2.gz OIVGXLULVVBDNE-YUSALJHKSA-N 0 3 353.423 -0.887 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)(F)F)N1CCC1 ZINC001229381511 845903868 /nfs/dbraw/zinc/90/38/68/845903868.db2.gz OSOJKYBGFJGZPY-GHMZBOCLSA-N 0 3 364.368 -0.086 20 0 FBADHN CC(C)n1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)nn1 ZINC001229381723 845904023 /nfs/dbraw/zinc/90/40/23/845904023.db2.gz QINRWPMIIBRPJX-GHMZBOCLSA-N 0 3 351.411 -0.316 20 0 FBADHN CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)nn1 ZINC001229388358 845904105 /nfs/dbraw/zinc/90/41/05/845904105.db2.gz CRBQRCFAJZCFFQ-GHMZBOCLSA-N 0 3 351.411 -0.616 20 0 FBADHN COCc1nc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)co1 ZINC001229395628 845903531 /nfs/dbraw/zinc/90/35/31/845903531.db2.gz FVVJMAQBIWNFPH-NXEZZACHSA-N 0 3 353.379 -0.354 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnccc1=O ZINC001229408075 845904334 /nfs/dbraw/zinc/90/43/34/845904334.db2.gz BZZFYDBJNKLNAO-ZIAGYGMSSA-N 0 3 370.475 -0.305 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC001229409009 845903923 /nfs/dbraw/zinc/90/39/23/845903923.db2.gz ODJIZZXWSBQWQF-NXEZZACHSA-N 0 3 352.357 -0.182 20 0 FBADHN CS(=O)(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2N[C@@H]2CCNC2=O)CCC1 ZINC001229416139 845904083 /nfs/dbraw/zinc/90/40/83/845904083.db2.gz WKGSFNSBVLRXHV-JHJVBQTASA-N 0 3 357.476 -0.141 20 0 FBADHN CS(=O)(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2N[C@H]2CCNC2=O)CCC1 ZINC001229416140 845903987 /nfs/dbraw/zinc/90/39/87/845903987.db2.gz WKGSFNSBVLRXHV-UPJWGTAASA-N 0 3 357.476 -0.141 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1nonc1C ZINC001229422989 845905037 /nfs/dbraw/zinc/90/50/37/845905037.db2.gz KWVKPILNFAFYOC-GHMZBOCLSA-N 0 3 352.395 -0.607 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCc1ncnn1C ZINC001229423809 845905083 /nfs/dbraw/zinc/90/50/83/845905083.db2.gz YBLRIFSOIJYAHD-CHWSQXEVSA-N 0 3 352.439 -0.515 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCc1nncn1C ZINC001229434264 845904767 /nfs/dbraw/zinc/90/47/67/845904767.db2.gz ULBYARJQPFYFDX-CHWSQXEVSA-N 0 3 352.439 -0.515 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)CC ZINC001229443469 845905053 /nfs/dbraw/zinc/90/50/53/845905053.db2.gz ZAOCIWBCISGYNG-CHWSQXEVSA-N 0 3 362.496 -0.579 20 0 FBADHN COc1ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cn1 ZINC001229472490 845906078 /nfs/dbraw/zinc/90/60/78/845906078.db2.gz NZNPEMXNEXBKKV-GHMZBOCLSA-N 0 3 350.379 -0.689 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001229489350 845906088 /nfs/dbraw/zinc/90/60/88/845906088.db2.gz MKIHPFVLWRNQFQ-GHMZBOCLSA-N 0 3 353.423 -0.920 20 0 FBADHN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)nn1 ZINC001229489364 845905967 /nfs/dbraw/zinc/90/59/67/845905967.db2.gz MUEQZVZOXXDCRE-NXEZZACHSA-N 0 3 350.379 -0.689 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCn1cncn1 ZINC001229510272 845906282 /nfs/dbraw/zinc/90/62/82/845906282.db2.gz FPVPXDMUXDIPPP-VXGBXAGGSA-N 0 3 351.411 -0.730 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001229533973 845907268 /nfs/dbraw/zinc/90/72/68/845907268.db2.gz LQBYUBQIZAOQCN-VXGBXAGGSA-N 0 3 353.423 -0.919 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001229540444 845906790 /nfs/dbraw/zinc/90/67/90/845906790.db2.gz XNDGSLCWCVKWLQ-BFHYXJOUSA-N 0 3 359.492 -0.036 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001229540445 845907332 /nfs/dbraw/zinc/90/73/32/845907332.db2.gz XNDGSLCWCVKWLQ-MGPQQGTHSA-N 0 3 359.492 -0.036 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cscn1 ZINC001229549539 845906903 /nfs/dbraw/zinc/90/69/03/845906903.db2.gz VFURCYIXHGCEGI-GHMZBOCLSA-N 0 3 353.448 -0.364 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001229549951 845907198 /nfs/dbraw/zinc/90/71/98/845907198.db2.gz XUCAYUVZFPGILO-JHJVBQTASA-N 0 3 350.423 -0.384 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001229549952 845907387 /nfs/dbraw/zinc/90/73/87/845907387.db2.gz XUCAYUVZFPGILO-YNEHKIRRSA-N 0 3 350.423 -0.384 20 0 FBADHN COCCCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229574190 845907176 /nfs/dbraw/zinc/90/71/76/845907176.db2.gz FTWYJWGNEXJRCC-CHWSQXEVSA-N 0 3 358.439 -0.359 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCCCOC ZINC001229575127 845907214 /nfs/dbraw/zinc/90/72/14/845907214.db2.gz PMBHNONLRVXYSX-CHWSQXEVSA-N 0 3 358.439 -0.488 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001229581852 845908594 /nfs/dbraw/zinc/90/85/94/845908594.db2.gz GRKCXJWCFCOYAH-IJLUTSLNSA-N 0 3 353.423 -0.933 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001229581853 845908253 /nfs/dbraw/zinc/90/82/53/845908253.db2.gz GRKCXJWCFCOYAH-QJPTWQEYSA-N 0 3 353.423 -0.933 20 0 FBADHN C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001229582095 845908377 /nfs/dbraw/zinc/90/83/77/845908377.db2.gz HRZQVJHIQBOZFG-BFHYXJOUSA-N 0 3 359.492 -0.084 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001229582096 845908660 /nfs/dbraw/zinc/90/86/60/845908660.db2.gz HRZQVJHIQBOZFG-MGPQQGTHSA-N 0 3 359.492 -0.084 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NCC1CC1 ZINC001229590384 845908153 /nfs/dbraw/zinc/90/81/53/845908153.db2.gz NTPVEEOTEHUTGV-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCCC(N)=O ZINC001229591095 845908332 /nfs/dbraw/zinc/90/83/32/845908332.db2.gz WCYYUJWOYRRCBJ-VXGBXAGGSA-N 0 3 355.439 -0.495 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NCC1CC1 ZINC001229591121 845908100 /nfs/dbraw/zinc/90/81/00/845908100.db2.gz WTMKZFSGKYKEMR-VXGBXAGGSA-N 0 3 353.423 -0.885 20 0 FBADHN COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001229605026 845908545 /nfs/dbraw/zinc/90/85/45/845908545.db2.gz DNQMQSQIXNGHBD-CHWSQXEVSA-N 0 3 352.439 -0.483 20 0 FBADHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001229605865 845908317 /nfs/dbraw/zinc/90/83/17/845908317.db2.gz JPYAIJOCBKHVNK-GMTAPVOTSA-N 0 3 351.411 -0.792 20 0 FBADHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001229605866 845907959 /nfs/dbraw/zinc/90/79/59/845907959.db2.gz JPYAIJOCBKHVNK-HBNTYKKESA-N 0 3 351.411 -0.792 20 0 FBADHN CCc1noc(COCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC)n1 ZINC001229615132 845908644 /nfs/dbraw/zinc/90/86/44/845908644.db2.gz BCAGSGSOFRHPDW-VXGBXAGGSA-N 0 3 353.423 -0.088 20 0 FBADHN CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001229623764 845908621 /nfs/dbraw/zinc/90/86/21/845908621.db2.gz CLRRNLJIJOQDCZ-GHMZBOCLSA-N 0 3 351.411 -0.790 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)NCCCOC ZINC001229624207 845908395 /nfs/dbraw/zinc/90/83/95/845908395.db2.gz KCJKNUCBFKDXBZ-ZIAGYGMSSA-N 0 3 356.467 -0.318 20 0 FBADHN CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001229624220 845908417 /nfs/dbraw/zinc/90/84/17/845908417.db2.gz KLBDYYHAEXRLCT-CHWSQXEVSA-N 0 3 352.439 -0.483 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cn1 ZINC001229624737 845908190 /nfs/dbraw/zinc/90/81/90/845908190.db2.gz RKTFOBMDKNTPNL-CHWSQXEVSA-N 0 3 350.423 -0.343 20 0 FBADHN CN(C)C(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC1 ZINC001229632552 845909884 /nfs/dbraw/zinc/90/98/84/845909884.db2.gz DNBWNEQPQGUGEB-GHMZBOCLSA-N 0 3 353.423 -0.933 20 0 FBADHN CN(C)C(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC1 ZINC001229633356 845909713 /nfs/dbraw/zinc/90/97/13/845909713.db2.gz VMOBKBRYCFRIAA-CHWSQXEVSA-N 0 3 359.492 -0.084 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)c(Cl)n1 ZINC001229639850 845909143 /nfs/dbraw/zinc/90/91/43/845909143.db2.gz NDEJNSAFAUBOGA-NXEZZACHSA-N 0 3 356.814 -0.101 20 0 FBADHN COCc1nocc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229652925 845909345 /nfs/dbraw/zinc/90/93/45/845909345.db2.gz TVGOQEKLZPGYOK-GHMZBOCLSA-N 0 3 353.379 -0.354 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001229666005 845909766 /nfs/dbraw/zinc/90/97/66/845909766.db2.gz GRHWCRSUDDGWJF-VXGBXAGGSA-N 0 3 353.423 -0.967 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)c1c[nH]cn1 ZINC001229693128 845911022 /nfs/dbraw/zinc/91/10/22/845911022.db2.gz NKMPYJXXUVPLQE-GHMZBOCLSA-N 0 3 350.423 -0.101 20 0 FBADHN COCCC[NH+]1CCC(Oc2nc3c([O-])n(C)c(=O)n(C)c-3n2)CC1 ZINC001229703972 845910925 /nfs/dbraw/zinc/91/09/25/845910925.db2.gz FMZUINNRUXXGSI-UHFFFAOYSA-N 0 3 351.407 -0.160 20 0 FBADHN CCn1cnc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)c1 ZINC001229730920 845910529 /nfs/dbraw/zinc/91/05/29/845910529.db2.gz CHZSVEWYEVZPLN-VXGBXAGGSA-N 0 3 350.423 -0.011 20 0 FBADHN CCCNC(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229762692 845911807 /nfs/dbraw/zinc/91/18/07/845911807.db2.gz ARVGHDJARBUZOI-VXGBXAGGSA-N 0 3 355.439 -0.495 20 0 FBADHN CCNC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229763357 845911542 /nfs/dbraw/zinc/91/15/42/845911542.db2.gz NFAKEMJVTCRRCX-VXGBXAGGSA-N 0 3 355.439 -0.495 20 0 FBADHN CN(C)C(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229769223 845911844 /nfs/dbraw/zinc/91/18/44/845911844.db2.gz FUKAIDQJJMNLSV-VXGBXAGGSA-N 0 3 355.439 -0.543 20 0 FBADHN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229785975 845911756 /nfs/dbraw/zinc/91/17/56/845911756.db2.gz DCVAAWWGCGWTCR-UPJWGTAASA-N 0 3 353.423 -0.791 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001229786382 845912052 /nfs/dbraw/zinc/91/20/52/845912052.db2.gz HKJXBZDCUFPUAW-MCIONIFRSA-N 0 3 354.451 -0.565 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001229786549 845911987 /nfs/dbraw/zinc/91/19/87/845911987.db2.gz JRKSURIJXGBRFY-MCIONIFRSA-N 0 3 354.451 -0.565 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1)NCC(F)(F)F ZINC001229787565 845911512 /nfs/dbraw/zinc/91/15/12/845911512.db2.gz VKPSGDNWAMFYFM-MXWKQRLJSA-N 0 3 364.368 -0.040 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001229787647 845912040 /nfs/dbraw/zinc/91/20/40/845912040.db2.gz XZOYQDPXBVLCSB-UTUOFQBUSA-N 0 3 353.423 -0.872 20 0 FBADHN CC(=O)N[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)C(C)C ZINC001229814417 845912677 /nfs/dbraw/zinc/91/26/77/845912677.db2.gz LDYLTIDGNLCQAK-YRGRVCCFSA-N 0 3 355.439 -0.641 20 0 FBADHN Cc1ccc(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)n1 ZINC001229820932 845912760 /nfs/dbraw/zinc/91/27/60/845912760.db2.gz KBBUGYNVPXZWFQ-ZIAGYGMSSA-N 0 3 370.475 -0.387 20 0 FBADHN CNC(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCC1 ZINC001229853823 845913844 /nfs/dbraw/zinc/91/38/44/845913844.db2.gz WKZFPYPYFHFPBA-GHMZBOCLSA-N 0 3 353.423 -0.885 20 0 FBADHN CNC(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CCC1 ZINC001229854104 845913720 /nfs/dbraw/zinc/91/37/20/845913720.db2.gz ZYUIIVQGEOUQBL-CHWSQXEVSA-N 0 3 359.492 -0.036 20 0 FBADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001229939623 845915763 /nfs/dbraw/zinc/91/57/63/845915763.db2.gz GRLCSIXLTYKNPM-JHJVBQTASA-N 0 3 362.496 -0.115 20 0 FBADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229939631 845915811 /nfs/dbraw/zinc/91/58/11/845915811.db2.gz HGCCOTODXMSILE-GMTAPVOTSA-N 0 3 356.427 -0.965 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001229948869 845915294 /nfs/dbraw/zinc/91/52/94/845915294.db2.gz ACDKRGVUXZOMIZ-JMSVASOKSA-N 0 3 360.480 -0.779 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001229948870 845915312 /nfs/dbraw/zinc/91/53/12/845915312.db2.gz ACDKRGVUXZOMIZ-LALPHHSUSA-N 0 3 360.480 -0.779 20 0 FBADHN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC ZINC001229948949 845915489 /nfs/dbraw/zinc/91/54/89/845915489.db2.gz BHFKVAOXVYFVAL-CHWSQXEVSA-N 0 3 362.496 -0.531 20 0 FBADHN COc1c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cnn1C ZINC001229949872 845915755 /nfs/dbraw/zinc/91/57/55/845915755.db2.gz LNTXMLJHLMJGGU-GHMZBOCLSA-N 0 3 352.395 -0.746 20 0 FBADHN CC(=O)N(C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229962832 845916505 /nfs/dbraw/zinc/91/65/05/845916505.db2.gz JAWSMODCQORRHO-CHWSQXEVSA-N 0 3 355.439 -0.543 20 0 FBADHN CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001229963150 845916604 /nfs/dbraw/zinc/91/66/04/845916604.db2.gz OTXGKDUZWUZGQE-JHJVBQTASA-N 0 3 353.423 -0.933 20 0 FBADHN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001229963151 845916830 /nfs/dbraw/zinc/91/68/30/845916830.db2.gz OTXGKDUZWUZGQE-YNEHKIRRSA-N 0 3 353.423 -0.933 20 0 FBADHN Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229977938 845916713 /nfs/dbraw/zinc/91/67/13/845916713.db2.gz MAAUPFVMWVCUJE-NXEZZACHSA-N 0 3 354.386 -0.307 20 0 FBADHN CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001229978416 845916420 /nfs/dbraw/zinc/91/64/20/845916420.db2.gz VVKDPDDTWITIDG-RBSFLKMASA-N 0 3 359.492 -0.084 20 0 FBADHN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001229978424 845916637 /nfs/dbraw/zinc/91/66/37/845916637.db2.gz VVKDPDDTWITIDG-RRFJBIMHSA-N 0 3 359.492 -0.084 20 0 FBADHN CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229995688 845916275 /nfs/dbraw/zinc/91/62/75/845916275.db2.gz HKPHKJYMRKXOEU-IJLUTSLNSA-N 0 3 353.423 -0.791 20 0 FBADHN CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229995689 845916621 /nfs/dbraw/zinc/91/66/21/845916621.db2.gz HKPHKJYMRKXOEU-UTUOFQBUSA-N 0 3 353.423 -0.791 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001230003711 845916361 /nfs/dbraw/zinc/91/63/61/845916361.db2.gz KCNBCGGLDFGBRA-KFWWJZLASA-N 0 3 354.451 -0.613 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001230003712 845916553 /nfs/dbraw/zinc/91/65/53/845916553.db2.gz KCNBCGGLDFGBRA-RBSFLKMASA-N 0 3 354.451 -0.613 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001230009690 845916537 /nfs/dbraw/zinc/91/65/37/845916537.db2.gz AEWXUNBIXRGOCX-CHWSQXEVSA-N 0 3 358.468 -0.777 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O ZINC001230009723 845916566 /nfs/dbraw/zinc/91/65/66/845916566.db2.gz AGYWVICZKHBJCX-CHWSQXEVSA-N 0 3 352.439 -0.957 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001230010064 845917719 /nfs/dbraw/zinc/91/77/19/845917719.db2.gz DHVJPZAABIPLBD-ZIAGYGMSSA-N 0 3 357.480 -0.172 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001230010091 845917751 /nfs/dbraw/zinc/91/77/51/845917751.db2.gz FGPGWXBFFPFRIA-ZIAGYGMSSA-N 0 3 357.480 -0.172 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001230010097 845917601 /nfs/dbraw/zinc/91/76/01/845917601.db2.gz FMAXLDXWWQJWGR-CHWSQXEVSA-N 0 3 362.496 -0.581 20 0 FBADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)CS(=O)(=O)N(C)C)n[nH]1 ZINC001230010748 845917589 /nfs/dbraw/zinc/91/75/89/845917589.db2.gz PVRFEHUSKLYVFZ-VXGBXAGGSA-N 0 3 358.468 -0.478 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001230010971 845917554 /nfs/dbraw/zinc/91/75/54/845917554.db2.gz QWVPPNOEQWUOIQ-CHWSQXEVSA-N 0 3 362.496 -0.579 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001230010994 845917795 /nfs/dbraw/zinc/91/77/95/845917795.db2.gz SRFWAWXHMFJKSY-ZIAGYGMSSA-N 0 3 357.480 -0.172 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001230011043 845917314 /nfs/dbraw/zinc/91/73/14/845917314.db2.gz UNESEFBBMZBFEC-CHWSQXEVSA-N 0 3 360.480 -0.827 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001230052527 845918715 /nfs/dbraw/zinc/91/87/15/845918715.db2.gz VJNITUUQTTWQJH-GHMZBOCLSA-N 0 3 353.423 -0.920 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)N1CCOCC1 ZINC001230065200 845918623 /nfs/dbraw/zinc/91/86/23/845918623.db2.gz DAHIYJKIGLYROQ-ZIAGYGMSSA-N 0 3 354.451 -0.612 20 0 FBADHN Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)ccc1=O ZINC001230065743 845918604 /nfs/dbraw/zinc/91/86/04/845918604.db2.gz NNRJQBZTHOSCDS-VXGBXAGGSA-N 0 3 356.448 -0.545 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 ZINC001230071829 845918631 /nfs/dbraw/zinc/91/86/31/845918631.db2.gz KRNBXMJSOFPOAF-VXGBXAGGSA-N 0 3 351.411 -0.859 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 ZINC001230072056 845918285 /nfs/dbraw/zinc/91/82/85/845918285.db2.gz WCJIAMDYEUDNDS-ZIAGYGMSSA-N 0 3 352.439 -0.552 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001230077256 845918491 /nfs/dbraw/zinc/91/84/91/845918491.db2.gz FTONMTQQJLZCSK-VXGBXAGGSA-N 0 3 353.423 -0.919 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1)NCC(F)(F)F ZINC001230077813 845919185 /nfs/dbraw/zinc/91/91/85/845919185.db2.gz PTCOLVOPWZHUTO-GHMZBOCLSA-N 0 3 362.356 -0.026 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 ZINC001230077922 845919348 /nfs/dbraw/zinc/91/93/48/845919348.db2.gz VKDARMVQVKNDIO-ZIAGYGMSSA-N 0 3 352.439 -0.552 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC001230077962 845919237 /nfs/dbraw/zinc/91/92/37/845919237.db2.gz XKTBVTGLOXKXDW-VXGBXAGGSA-N 0 3 353.423 -0.967 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001230083871 845919144 /nfs/dbraw/zinc/91/91/44/845919144.db2.gz CFSQHKCLFUNYJH-CHWSQXEVSA-N 0 3 352.435 -0.321 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CCC1=O)NC1CC1 ZINC001230084111 845919412 /nfs/dbraw/zinc/91/94/12/845919412.db2.gz IMWSUMMWRQNKSU-CHWSQXEVSA-N 0 3 350.419 -0.569 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1nccnc1C(N)=O ZINC001230084458 845919172 /nfs/dbraw/zinc/91/91/72/845919172.db2.gz MPSFWVWUELLNJI-GHMZBOCLSA-N 0 3 369.447 -0.749 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001230084520 845919155 /nfs/dbraw/zinc/91/91/55/845919155.db2.gz NLZDLEDHCPPGJB-VXGBXAGGSA-N 0 3 359.448 -0.803 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001230085552 845919274 /nfs/dbraw/zinc/91/92/74/845919274.db2.gz YWSWEPDVUUQIMS-CHWSQXEVSA-N 0 3 352.435 -0.323 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O ZINC001230090141 845919198 /nfs/dbraw/zinc/91/91/98/845919198.db2.gz BCQFHIGKHLIWPU-CHWSQXEVSA-N 0 3 357.455 -0.786 20 0 FBADHN NC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CCC1 ZINC001230090508 845919371 /nfs/dbraw/zinc/91/93/71/845919371.db2.gz FIHDVPMHCSBURW-ZIAGYGMSSA-N 0 3 353.467 -0.022 20 0 FBADHN NC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001230090655 845919056 /nfs/dbraw/zinc/91/90/56/845919056.db2.gz GQUVJVIUPXAFJU-NXEZZACHSA-N 0 3 367.372 -0.260 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O ZINC001230094263 845919977 /nfs/dbraw/zinc/91/99/77/845919977.db2.gz IDCPKEMSKRPGHZ-CHWSQXEVSA-N 0 3 357.455 -0.786 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(N)=O)CC1 ZINC001230094778 845919936 /nfs/dbraw/zinc/91/99/36/845919936.db2.gz PSEUTOIOOGRYFH-ZIAGYGMSSA-N 0 3 353.467 -0.070 20 0 FBADHN C[C@H](NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O)C1CC1 ZINC001230097475 845920325 /nfs/dbraw/zinc/92/03/25/845920325.db2.gz BPKUWCOXSDKGDF-IACUBPJLSA-N 0 3 353.467 -0.024 20 0 FBADHN C[C@@H](NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O)C1CC1 ZINC001230097477 845920192 /nfs/dbraw/zinc/92/01/92/845920192.db2.gz BPKUWCOXSDKGDF-MRVWCRGKSA-N 0 3 353.467 -0.024 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CNC1=O ZINC001230100963 845920380 /nfs/dbraw/zinc/92/03/80/845920380.db2.gz MJIFEJOHCHEVQS-VXGBXAGGSA-N 0 3 353.423 -0.919 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccccc1=O ZINC001230101160 845921396 /nfs/dbraw/zinc/92/13/96/845921396.db2.gz VPAZZBOXYSTJMQ-ZIAGYGMSSA-N 0 3 355.460 -0.090 20 0 FBADHN Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230108039 845921334 /nfs/dbraw/zinc/92/13/34/845921334.db2.gz LFNRYZRPYQSKJC-CHWSQXEVSA-N 0 3 350.423 -0.219 20 0 FBADHN Cc1csc(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230108148 845921217 /nfs/dbraw/zinc/92/12/17/845921217.db2.gz RFVXARLGQLHWGE-GHMZBOCLSA-N 0 3 369.447 -0.570 20 0 FBADHN CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230115038 845921108 /nfs/dbraw/zinc/92/11/08/845921108.db2.gz VLFKOFHSHISNMQ-GHMZBOCLSA-N 0 3 355.439 -0.639 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(C)n1 ZINC001230138856 845921350 /nfs/dbraw/zinc/92/13/50/845921350.db2.gz UCNDAONHXJELOY-VXGBXAGGSA-N 0 3 350.423 -0.104 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001230150290 845922128 /nfs/dbraw/zinc/92/21/28/845922128.db2.gz ZEJPISHNCRAXKT-VXGBXAGGSA-N 0 3 356.448 -0.211 20 0 FBADHN CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230164018 845921980 /nfs/dbraw/zinc/92/19/80/845921980.db2.gz CKRWAMXTRAUHNS-GHMZBOCLSA-N 0 3 362.452 -0.979 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1cncc(C(N)=O)c1 ZINC001230164149 845923279 /nfs/dbraw/zinc/92/32/79/845923279.db2.gz GITCAESIFLOUOY-ZIAGYGMSSA-N 0 3 368.459 -0.144 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001230164435 845923002 /nfs/dbraw/zinc/92/30/02/845923002.db2.gz NIGPVXZKVLLREQ-JHJVBQTASA-N 0 3 360.480 -0.780 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001230164436 845923333 /nfs/dbraw/zinc/92/33/33/845923333.db2.gz NIGPVXZKVLLREQ-UPJWGTAASA-N 0 3 360.480 -0.780 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001230164785 845922977 /nfs/dbraw/zinc/92/29/77/845922977.db2.gz VBOGSWBUAAXXEX-JHJVBQTASA-N 0 3 360.480 -0.779 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001230164789 845922849 /nfs/dbraw/zinc/92/28/49/845922849.db2.gz VBOGSWBUAAXXEX-UPJWGTAASA-N 0 3 360.480 -0.779 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1 ZINC001230169947 845923139 /nfs/dbraw/zinc/92/31/39/845923139.db2.gz NXBLQIVAVPUGEV-CHWSQXEVSA-N 0 3 360.480 -0.921 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)(C)C ZINC001230170075 845922922 /nfs/dbraw/zinc/92/29/22/845922922.db2.gz RAROVLJHSUCJDL-VXGBXAGGSA-N 0 3 362.496 -0.533 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)nc1 ZINC001230174370 845922904 /nfs/dbraw/zinc/92/29/04/845922904.db2.gz BMVCDLDVKSZMKB-ZIAGYGMSSA-N 0 3 355.464 -0.149 20 0 FBADHN CCn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230174479 845922888 /nfs/dbraw/zinc/92/28/88/845922888.db2.gz FBKHVEOEFLISRT-CHWSQXEVSA-N 0 3 358.468 -0.636 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(C)C ZINC001230174699 845924065 /nfs/dbraw/zinc/92/40/65/845924065.db2.gz JCBPXLUMNDSKQV-CHWSQXEVSA-N 0 3 362.496 -0.675 20 0 FBADHN CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230174700 845924045 /nfs/dbraw/zinc/92/40/45/845924045.db2.gz JFQCJOWZYMCCPS-IJLUTSLNSA-N 0 3 355.439 -0.639 20 0 FBADHN CC[C@H](C)C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230174701 845924453 /nfs/dbraw/zinc/92/44/53/845924453.db2.gz JFQCJOWZYMCCPS-QJPTWQEYSA-N 0 3 355.439 -0.639 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1n[nH]c(C)n1 ZINC001230174729 845924375 /nfs/dbraw/zinc/92/43/75/845924375.db2.gz KARHMUGXSOKZGB-MVWJERBFSA-N 0 3 358.468 -0.260 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1n[nH]c(C)n1 ZINC001230174730 845924441 /nfs/dbraw/zinc/92/44/41/845924441.db2.gz KARHMUGXSOKZGB-YUSALJHKSA-N 0 3 358.468 -0.260 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ncn1 ZINC001230174927 845924140 /nfs/dbraw/zinc/92/41/40/845924140.db2.gz PGEUABOGESBUEX-ZIAGYGMSSA-N 0 3 355.464 -0.149 20 0 FBADHN CCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230175000 845924273 /nfs/dbraw/zinc/92/42/73/845924273.db2.gz RSJPVOCOMIYAFB-CHWSQXEVSA-N 0 3 362.496 -0.531 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001230175224 845924173 /nfs/dbraw/zinc/92/41/73/845924173.db2.gz WYRIHDBBSWTULX-VXGBXAGGSA-N 0 3 370.479 -0.252 20 0 FBADHN CC[C@@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230175310 845924203 /nfs/dbraw/zinc/92/42/03/845924203.db2.gz ZSTDIDWYWZFGSR-JHJVBQTASA-N 0 3 362.496 -0.533 20 0 FBADHN CC[C@H](C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230175311 845924449 /nfs/dbraw/zinc/92/44/49/845924449.db2.gz ZSTDIDWYWZFGSR-YNEHKIRRSA-N 0 3 362.496 -0.533 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCN1CCCC1=O ZINC001230177452 845924094 /nfs/dbraw/zinc/92/40/94/845924094.db2.gz HCNWCJVVOKQLOA-VXGBXAGGSA-N 0 3 353.423 -0.789 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001230177757 845924302 /nfs/dbraw/zinc/92/43/02/845924302.db2.gz LVKKLFKRVYTMGK-VXGBXAGGSA-N 0 3 362.496 -0.533 20 0 FBADHN CCCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001230178127 845924460 /nfs/dbraw/zinc/92/44/60/845924460.db2.gz WDWUWMTUZUERES-CHWSQXEVSA-N 0 3 368.521 -0.127 20 0 FBADHN CCCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230178209 845924893 /nfs/dbraw/zinc/92/48/93/845924893.db2.gz ZIOHQVDHCVTCAZ-GHMZBOCLSA-N 0 3 362.452 -0.977 20 0 FBADHN CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001230179836 845925315 /nfs/dbraw/zinc/92/53/15/845925315.db2.gz FLHAWKYJOHZKJS-CHWSQXEVSA-N 0 3 368.521 -0.129 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCn1cccn1 ZINC001230184159 845925107 /nfs/dbraw/zinc/92/51/07/845925107.db2.gz BVMKZSRWJAPEAK-CHWSQXEVSA-N 0 3 350.423 -0.125 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1C(C)=O ZINC001230193187 845925183 /nfs/dbraw/zinc/92/51/83/845925183.db2.gz WKISCDMZGAUFRR-KFWWJZLASA-N 0 3 354.451 -0.613 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1C(C)=O ZINC001230193188 845924805 /nfs/dbraw/zinc/92/48/05/845924805.db2.gz WKISCDMZGAUFRR-RBSFLKMASA-N 0 3 354.451 -0.613 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCS1(=O)=O ZINC001230208821 845926326 /nfs/dbraw/zinc/92/63/26/845926326.db2.gz PBYSCYAGQADYJX-JHJVBQTASA-N 0 3 366.505 -0.375 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001230208822 845926057 /nfs/dbraw/zinc/92/60/57/845926057.db2.gz PBYSCYAGQADYJX-UPJWGTAASA-N 0 3 366.505 -0.375 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O)NC1CC1 ZINC001230208839 845926201 /nfs/dbraw/zinc/92/62/01/845926201.db2.gz PZTKJTLWBSDFJF-MCIONIFRSA-N 0 3 357.476 -0.141 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCS1(=O)=O)NC1CC1 ZINC001230208840 845926220 /nfs/dbraw/zinc/92/62/20/845926220.db2.gz PZTKJTLWBSDFJF-MGPQQGTHSA-N 0 3 357.476 -0.141 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001230215228 845925824 /nfs/dbraw/zinc/92/58/24/845925824.db2.gz JWKBYDXJDSNZAD-BFYDXBDKSA-N 0 3 352.479 -0.140 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001230215229 845926016 /nfs/dbraw/zinc/92/60/16/845926016.db2.gz JWKBYDXJDSNZAD-INMHGKMJSA-N 0 3 352.479 -0.140 20 0 FBADHN CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001230215510 845926039 /nfs/dbraw/zinc/92/60/39/845926039.db2.gz QGCVDFBISDRONT-KFWWJZLASA-N 0 3 361.508 -0.231 20 0 FBADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001230215511 845925974 /nfs/dbraw/zinc/92/59/74/845925974.db2.gz QGCVDFBISDRONT-RBSFLKMASA-N 0 3 361.508 -0.231 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1C(N)=O ZINC001230228408 845926097 /nfs/dbraw/zinc/92/60/97/845926097.db2.gz ALPWUPPDZYTHKD-CHWSQXEVSA-N 0 3 368.459 -0.144 20 0 FBADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)N(C)C ZINC001230235058 845927102 /nfs/dbraw/zinc/92/71/02/845927102.db2.gz RDOABFNTXXETKT-CHWSQXEVSA-N 0 3 362.496 -0.579 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nncn2C1 ZINC001230243027 845927089 /nfs/dbraw/zinc/92/70/89/845927089.db2.gz LMELFXCXCVBDMF-BFHYXJOUSA-N 0 3 369.491 -0.098 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nncn2C1 ZINC001230243028 845926811 /nfs/dbraw/zinc/92/68/11/845926811.db2.gz LMELFXCXCVBDMF-MGPQQGTHSA-N 0 3 369.491 -0.098 20 0 FBADHN CCOCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230243878 845927146 /nfs/dbraw/zinc/92/71/46/845927146.db2.gz XMADDJDHPJPYSV-JHJVBQTASA-N 0 3 358.439 -0.360 20 0 FBADHN CCOCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230243881 845927044 /nfs/dbraw/zinc/92/70/44/845927044.db2.gz XMADDJDHPJPYSV-YNEHKIRRSA-N 0 3 358.439 -0.360 20 0 FBADHN Cn1cc(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)cn1 ZINC001230251928 845928183 /nfs/dbraw/zinc/92/81/83/845928183.db2.gz QYEFNABMVSUHJX-CHWSQXEVSA-N 0 3 350.423 -0.435 20 0 FBADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NCc1ccco1 ZINC001230256822 845927688 /nfs/dbraw/zinc/92/76/88/845927688.db2.gz BVNVGIOGBUDMPD-CHWSQXEVSA-N 0 3 351.407 -0.419 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001230262291 845928057 /nfs/dbraw/zinc/92/80/57/845928057.db2.gz RAQGRXIGCNAIJY-VXGBXAGGSA-N 0 3 362.496 -0.244 20 0 FBADHN CNC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001230262325 845927892 /nfs/dbraw/zinc/92/78/92/845927892.db2.gz SQOMOVAJLSXMEX-CHWSQXEVSA-N 0 3 353.467 -0.010 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CCC1 ZINC001230263038 845927863 /nfs/dbraw/zinc/92/78/63/845927863.db2.gz DQEPEBUTWUWSOR-VXGBXAGGSA-N 0 3 353.423 -0.885 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CCC1 ZINC001230263473 845927873 /nfs/dbraw/zinc/92/78/73/845927873.db2.gz YUEIIAIPEDMKQH-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN CCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1 ZINC001230266518 845927729 /nfs/dbraw/zinc/92/77/29/845927729.db2.gz LTANLRGTGRULCG-ZIAGYGMSSA-N 0 3 359.492 -0.036 20 0 FBADHN CCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001230266619 845927606 /nfs/dbraw/zinc/92/76/06/845927606.db2.gz QLEUHKXSWUALNN-VXGBXAGGSA-N 0 3 354.494 -0.517 20 0 FBADHN Cc1cnn(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)c1 ZINC001230270553 845929051 /nfs/dbraw/zinc/92/90/51/845929051.db2.gz BRVUYUCTOYQRPP-CHWSQXEVSA-N 0 3 350.423 -0.206 20 0 FBADHN CCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)NC(N)=O ZINC001230271241 845929257 /nfs/dbraw/zinc/92/92/57/845929257.db2.gz WSKJEDXHZKABFE-GMTAPVOTSA-N 0 3 362.452 -0.979 20 0 FBADHN CCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NC(N)=O ZINC001230271289 845928708 /nfs/dbraw/zinc/92/87/08/845928708.db2.gz WSKJEDXHZKABFE-HBNTYKKESA-N 0 3 362.452 -0.979 20 0 FBADHN CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCC1=O ZINC001230280415 845928589 /nfs/dbraw/zinc/92/85/89/845928589.db2.gz WTZROCNDWPAKJI-IJLUTSLNSA-N 0 3 353.423 -0.933 20 0 FBADHN CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCC1=O ZINC001230280421 845928601 /nfs/dbraw/zinc/92/86/01/845928601.db2.gz WTZROCNDWPAKJI-QJPTWQEYSA-N 0 3 353.423 -0.933 20 0 FBADHN CCOCCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001230286279 845928813 /nfs/dbraw/zinc/92/88/13/845928813.db2.gz IFTWPSYTTADMTJ-CHWSQXEVSA-N 0 3 358.439 -0.488 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(N)=O)cs1 ZINC001230287043 845929335 /nfs/dbraw/zinc/92/93/35/845929335.db2.gz WIARAAZAURGSQR-NXEZZACHSA-N 0 3 367.431 -0.328 20 0 FBADHN Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)n(C)c1=O ZINC001230292150 845928916 /nfs/dbraw/zinc/92/89/16/845928916.db2.gz DEFLVHYQCKGPTM-VXGBXAGGSA-N 0 3 358.464 -0.601 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001230292181 845929124 /nfs/dbraw/zinc/92/91/24/845929124.db2.gz FNDNOUNTLZLBQB-CHWSQXEVSA-N 0 3 351.451 -0.119 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001230292325 845928772 /nfs/dbraw/zinc/92/87/72/845928772.db2.gz IHXCUUKRUACMSA-CHWSQXEVSA-N 0 3 351.451 -0.121 20 0 FBADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230301500 845928989 /nfs/dbraw/zinc/92/89/89/845928989.db2.gz DCVAAWWGCGWTCR-JHJVBQTASA-N 0 3 353.423 -0.791 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(N)=O)n1 ZINC001230301724 845929103 /nfs/dbraw/zinc/92/91/03/845929103.db2.gz OYMNHHVYGFEVTF-VXGBXAGGSA-N 0 3 368.459 -0.144 20 0 FBADHN CC(C)(CS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O ZINC001230313635 845929434 /nfs/dbraw/zinc/92/94/34/845929434.db2.gz ULVOFQCKLMYFHT-JHJVBQTASA-N 0 3 359.492 -0.037 20 0 FBADHN CC(C)(CS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O ZINC001230313636 845929229 /nfs/dbraw/zinc/92/92/29/845929229.db2.gz ULVOFQCKLMYFHT-UPJWGTAASA-N 0 3 359.492 -0.037 20 0 FBADHN CNC(=O)CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230320432 845930391 /nfs/dbraw/zinc/93/03/91/845930391.db2.gz ZQEGSITVCLMFMI-VXGBXAGGSA-N 0 3 355.439 -0.495 20 0 FBADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOCCOC ZINC001230331370 845930312 /nfs/dbraw/zinc/93/03/12/845930312.db2.gz LRQBDSKVIYQIHN-CHWSQXEVSA-N 0 3 358.439 -0.488 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001230338419 845930450 /nfs/dbraw/zinc/93/04/50/845930450.db2.gz NLGPZWDXTQHSKL-CHWSQXEVSA-N 0 3 368.459 -0.144 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001230349721 845930145 /nfs/dbraw/zinc/93/01/45/845930145.db2.gz WLMRDFJSWBFEKE-CHWSQXEVSA-N 0 3 368.459 -0.144 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(N)=O ZINC001230354832 845931334 /nfs/dbraw/zinc/93/13/34/845931334.db2.gz BPJRHMQXYSSBLM-VXGBXAGGSA-N 0 3 355.439 -0.495 20 0 FBADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nonc1C ZINC001230355068 845931249 /nfs/dbraw/zinc/93/12/49/845931249.db2.gz GGQMXHUHEFQEFW-GHMZBOCLSA-N 0 3 352.395 -0.146 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(N)=O ZINC001230355631 845931016 /nfs/dbraw/zinc/93/10/16/845931016.db2.gz QOSRRXBUKGRGEO-ZIAGYGMSSA-N 0 3 356.467 -0.188 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001230359145 845931276 /nfs/dbraw/zinc/93/12/76/845931276.db2.gz RVWYGSFDNGREMA-UPJWGTAASA-N 0 3 360.480 -0.409 20 0 FBADHN NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001230359291 845931138 /nfs/dbraw/zinc/93/11/38/845931138.db2.gz YVLSMVVDDDDMSS-MCIONIFRSA-N 0 3 351.451 -0.175 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(OC)ncnc1OC ZINC001230361095 845931212 /nfs/dbraw/zinc/93/12/12/845931212.db2.gz FYSNACSXLKNUOD-GHMZBOCLSA-N 0 3 351.407 -0.130 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(N)=O ZINC001230361636 845931538 /nfs/dbraw/zinc/93/15/38/845931538.db2.gz XZUYFOUJBSPNFQ-ZIAGYGMSSA-N 0 3 356.467 -0.188 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)nn1C ZINC001230366115 845931372 /nfs/dbraw/zinc/93/13/72/845931372.db2.gz CEBXWGPXSXVSDP-VXGBXAGGSA-N 0 3 350.423 -0.192 20 0 FBADHN CCn1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)n1 ZINC001230371535 845931484 /nfs/dbraw/zinc/93/14/84/845931484.db2.gz KKPXGGMPVXOAAD-GHMZBOCLSA-N 0 3 351.411 -0.568 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001230371700 845931224 /nfs/dbraw/zinc/93/12/24/845931224.db2.gz PJQMCFJQUNHDKL-MCIONIFRSA-N 0 3 354.451 -0.565 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001230371703 845931183 /nfs/dbraw/zinc/93/11/83/845931183.db2.gz PJQMCFJQUNHDKL-MGPQQGTHSA-N 0 3 354.451 -0.565 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC[C@H]1CCCO1 ZINC001230374168 845931421 /nfs/dbraw/zinc/93/14/21/845931421.db2.gz XDQNVGVZQVANFI-JHJVBQTASA-N 0 3 356.423 -0.606 20 0 FBADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC[C@@H]1CCCO1 ZINC001230374169 845931298 /nfs/dbraw/zinc/93/12/98/845931298.db2.gz XDQNVGVZQVANFI-YNEHKIRRSA-N 0 3 356.423 -0.606 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O)N1CCOCC1 ZINC001230382466 845931570 /nfs/dbraw/zinc/93/15/70/845931570.db2.gz JJRXLMJICZPNIX-RRFJBIMHSA-N 0 3 361.508 -0.231 20 0 FBADHN Cn1cc(CCC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)nn1 ZINC001230383818 845931431 /nfs/dbraw/zinc/93/14/31/845931431.db2.gz NLPNEQWWHVHWEE-ZIAGYGMSSA-N 0 3 357.480 -0.191 20 0 FBADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230386472 845931126 /nfs/dbraw/zinc/93/11/26/845931126.db2.gz VRZWIGVURVIWTF-IJLUTSLNSA-N 0 3 355.439 -0.654 20 0 FBADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001230386473 845931308 /nfs/dbraw/zinc/93/13/08/845931308.db2.gz VRZWIGVURVIWTF-QJPTWQEYSA-N 0 3 355.439 -0.654 20 0 FBADHN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)c1cnn(C)c1 ZINC001230393021 845930959 /nfs/dbraw/zinc/93/09/59/845930959.db2.gz AOPAWMPVAQIAJO-CYZMBNFOSA-N 0 3 350.423 -0.265 20 0 FBADHN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O)c1cnn(C)c1 ZINC001230393022 845931382 /nfs/dbraw/zinc/93/13/82/845931382.db2.gz AOPAWMPVAQIAJO-RAIGVLPGSA-N 0 3 350.423 -0.265 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O)NC1CC1 ZINC001230393063 845931004 /nfs/dbraw/zinc/93/10/04/845931004.db2.gz CCKBWGSISJXMJW-CYZMBNFOSA-N 0 3 350.419 -0.665 20 0 FBADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O)NC1CC1 ZINC001230393064 845930996 /nfs/dbraw/zinc/93/09/96/845930996.db2.gz CCKBWGSISJXMJW-RAIGVLPGSA-N 0 3 350.419 -0.665 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001230393279 845932063 /nfs/dbraw/zinc/93/20/63/845932063.db2.gz KMPWWSHNEDCXOU-JHJVBQTASA-N 0 3 352.435 -0.418 20 0 FBADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001230393280 845932653 /nfs/dbraw/zinc/93/26/53/845932653.db2.gz KMPWWSHNEDCXOU-YNEHKIRRSA-N 0 3 352.435 -0.418 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001230393400 845932317 /nfs/dbraw/zinc/93/23/17/845932317.db2.gz PBRQWPHAAGMNRJ-JHJVBQTASA-N 0 3 352.435 -0.419 20 0 FBADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001230393403 845932544 /nfs/dbraw/zinc/93/25/44/845932544.db2.gz PBRQWPHAAGMNRJ-YNEHKIRRSA-N 0 3 352.435 -0.419 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001230393529 845932293 /nfs/dbraw/zinc/93/22/93/845932293.db2.gz QKGKSUCVMIIFLI-IJLUTSLNSA-N 0 3 359.448 -0.899 20 0 FBADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001230393530 845932278 /nfs/dbraw/zinc/93/22/78/845932278.db2.gz QKGKSUCVMIIFLI-QJPTWQEYSA-N 0 3 359.448 -0.899 20 0 FBADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCCCS(N)(=O)=O ZINC001230396764 845932128 /nfs/dbraw/zinc/93/21/28/845932128.db2.gz TWWDDMXFZNSZBL-CHWSQXEVSA-N 0 3 362.496 -0.402 20 0 FBADHN COCCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001230462038 845933358 /nfs/dbraw/zinc/93/33/58/845933358.db2.gz JXDZTVPXNJNFQG-QLFBSQMISA-N 0 3 361.508 -0.422 20 0 FBADHN COCCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001230462039 845933673 /nfs/dbraw/zinc/93/36/73/845933673.db2.gz JXDZTVPXNJNFQG-RBSFLKMASA-N 0 3 361.508 -0.422 20 0 FBADHN C[C@@H]1[C@H](C(=O)NCC[C@H]2CN(CCCO)CCS2(=O)=O)CCN1C ZINC001230467193 845933575 /nfs/dbraw/zinc/93/35/75/845933575.db2.gz IFGXVYPIQPYOQK-QLFBSQMISA-N 0 3 361.508 -0.686 20 0 FBADHN C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CCCO)CCS2(=O)=O)CCN1C ZINC001230467204 845933313 /nfs/dbraw/zinc/93/33/13/845933313.db2.gz IFGXVYPIQPYOQK-RBSFLKMASA-N 0 3 361.508 -0.686 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(CCO)CCS2(=O)=O)CCN1C ZINC001230467726 845933457 /nfs/dbraw/zinc/93/34/57/845933457.db2.gz VPVAHSKZPITUCR-QLFBSQMISA-N 0 3 361.508 -0.686 20 0 FBADHN CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CN(CCO)CCS2(=O)=O)CCN1C ZINC001230467727 845933649 /nfs/dbraw/zinc/93/36/49/845933649.db2.gz VPVAHSKZPITUCR-SOUVJXGZSA-N 0 3 361.508 -0.686 20 0 FBADHN O=C([C@H]1C[C@@H]2[C@@H](CCN2Cc2c[nH]c(=O)[nH]c2=O)O1)N1CCOCC1 ZINC001231700149 845956576 /nfs/dbraw/zinc/95/65/76/845956576.db2.gz FLZZMYTWGARKQD-JHJVBQTASA-N 0 3 350.375 -0.522 20 0 FBADHN CS(=O)(=O)N1CCOCC2(CCN(Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001231700250 845956603 /nfs/dbraw/zinc/95/66/03/845956603.db2.gz GEUUFFIYDQOPCN-UHFFFAOYSA-N 0 3 372.447 -0.238 20 0 FBADHN COCCN1CCO[C@H]2CN(Cc3c[nH]c(=O)[nH]c3=O)CC[C@H]2C1=O ZINC001231700355 845956881 /nfs/dbraw/zinc/95/68/81/845956881.db2.gz DEDHVOKRXZMAFT-OLZOCXBDSA-N 0 3 352.391 -0.417 20 0 FBADHN CC(=O)N1CCO[C@@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CC[C@@H]2C1 ZINC001231768267 845959594 /nfs/dbraw/zinc/95/95/94/845959594.db2.gz QJXGASDNUIEOSB-UKRRQHHQSA-N 0 3 350.419 -0.847 20 0 FBADHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cn(C)c(=O)n(C)c3=O)C[C@H]21 ZINC001231769171 845960103 /nfs/dbraw/zinc/96/01/03/845960103.db2.gz ZXJPYKGUQNNBRY-HZSPNIEDSA-N 0 3 350.419 -0.943 20 0 FBADHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cn(C)c(=O)n(C)c2=O)O1 ZINC001231769338 845960721 /nfs/dbraw/zinc/96/07/21/845960721.db2.gz OGZJJECMJNQTQY-MCIONIFRSA-N 0 3 350.419 -0.660 20 0 FBADHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771283 845960171 /nfs/dbraw/zinc/96/01/71/845960171.db2.gz KTPQUBDEYDWCQY-AWEZNQCLSA-N 0 3 352.435 -0.457 20 0 FBADHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771284 845960705 /nfs/dbraw/zinc/96/07/05/845960705.db2.gz KTPQUBDEYDWCQY-CQSZACIVSA-N 0 3 352.435 -0.457 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001234452364 846014853 /nfs/dbraw/zinc/01/48/53/846014853.db2.gz VPVNKMFEEDHAHN-ARFHVFGLSA-N 0 3 359.467 -0.047 20 0 FBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001234452372 846014700 /nfs/dbraw/zinc/01/47/00/846014700.db2.gz VPVNKMFEEDHAHN-BZUAXINKSA-N 0 3 359.467 -0.047 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001234452373 846014550 /nfs/dbraw/zinc/01/45/50/846014550.db2.gz VPVNKMFEEDHAHN-HRCADAONSA-N 0 3 359.467 -0.047 20 0 FBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001234452374 846015646 /nfs/dbraw/zinc/01/56/46/846015646.db2.gz VPVNKMFEEDHAHN-OWCLPIDISA-N 0 3 359.467 -0.047 20 0 FBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(CCCO)CC3)C1=O ZINC001235527112 846029532 /nfs/dbraw/zinc/02/95/32/846029532.db2.gz UEFKHYLSLBYOFL-INIZCTEOSA-N 0 3 359.492 -0.425 20 0 FBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(CCCO)CC3)C1=O ZINC001235527113 846029366 /nfs/dbraw/zinc/02/93/66/846029366.db2.gz UEFKHYLSLBYOFL-MRXNPFEDSA-N 0 3 359.492 -0.425 20 0 FBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(CCCCO)CC3)C1=O ZINC001235527792 846029204 /nfs/dbraw/zinc/02/92/04/846029204.db2.gz WWICZPKLTWFGPC-KRWDZBQOSA-N 0 3 373.519 -0.035 20 0 FBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(CCCCO)CC3)C1=O ZINC001235527794 846029193 /nfs/dbraw/zinc/02/91/93/846029193.db2.gz WWICZPKLTWFGPC-QGZVFWFLSA-N 0 3 373.519 -0.035 20 0 FBADHN O=C(NC[C@H]1CC[C@]2(COCCN(CCCO)C2)O1)c1cnccn1 ZINC001235550651 846030586 /nfs/dbraw/zinc/03/05/86/846030586.db2.gz SRTIQWUFRSAYDL-PBHICJAKSA-N 0 3 350.419 -0.161 20 0 FBADHN O=C(NC[C@@H]1CC[C@]2(COCCN(CCCO)C2)O1)c1cnccn1 ZINC001235550652 846030912 /nfs/dbraw/zinc/03/09/12/846030912.db2.gz SRTIQWUFRSAYDL-YOEHRIQHSA-N 0 3 350.419 -0.161 20 0 FBADHN CC1(C)O[C@@H]2O[C@@H](CN3CCC4(CC3)CC(=O)NC(=O)C4)[C@@H](O)[C@@H]2O1 ZINC001235964139 846032675 /nfs/dbraw/zinc/03/26/75/846032675.db2.gz ZZZGLYVHVOPWPL-PUPMMZHASA-N 0 3 354.403 -0.258 20 0 FBADHN COC(=O)[C@@H]1CNCCN1Cc1c(I)cnn1C ZINC001236057085 846033528 /nfs/dbraw/zinc/03/35/28/846033528.db2.gz ZZGBWJZJQRWSQZ-VIFPVBQESA-N 0 3 364.187 -0.029 20 0 FBADHN CN(C)CC(=O)N[C@@H]1CCCN(C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236466177 846034210 /nfs/dbraw/zinc/03/42/10/846034210.db2.gz FMOSFIMOPDTHSL-CQOGHXNDSA-N 0 3 357.451 -0.634 20 0 FBADHN CC1=NC2(CCN(C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC2)C(=O)N1C ZINC001236535778 846034532 /nfs/dbraw/zinc/03/45/32/846034532.db2.gz KXKFLXNURIGEEB-CRWXNKLISA-N 0 3 353.419 -0.051 20 0 FBADHN CCNC(=O)COC1CCN(C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CC1 ZINC001236798388 846035127 /nfs/dbraw/zinc/03/51/27/846035127.db2.gz LDOQKBHHVTTYIW-UKMLZYKCSA-N 0 3 358.435 -0.159 20 0 FBADHN CN1CCN(c2cc([N-]S(=O)(=O)CC3CC[NH2+]CC3)ncn2)CC1 ZINC001237493888 846040477 /nfs/dbraw/zinc/04/04/77/846040477.db2.gz OPBINANBRWQVRK-UHFFFAOYSA-N 0 3 354.480 -0.030 20 0 FBADHN O=S(=O)(CC1CC[NH2+]CC1)[N-]c1cnn(CCN2CCOCC2)c1 ZINC001237529821 846041375 /nfs/dbraw/zinc/04/13/75/846041375.db2.gz OURVDORAAIHNEE-UHFFFAOYSA-N 0 3 357.480 -0.043 20 0 FBADHN CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)CCN)cc2)CC1 ZINC001237615536 846045114 /nfs/dbraw/zinc/04/51/14/846045114.db2.gz GZHNYBUSQQKFEO-UHFFFAOYSA-N 0 3 362.477 -0.531 20 0 FBADHN [NH3+]CCS(=O)(=O)[N-]c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O ZINC001237643155 846045235 /nfs/dbraw/zinc/04/52/35/846045235.db2.gz UZTNSUGNKRYLLN-LBPRGKRZSA-N 0 3 366.399 -0.852 20 0 FBADHN CN(C)C(=O)CN1CCOCC2(CCN(Cc3cnnn3C)CC2)C1 ZINC001238157343 846054300 /nfs/dbraw/zinc/05/43/00/846054300.db2.gz JDWDXNJULSBQPG-UHFFFAOYSA-N 0 3 350.467 -0.182 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)N1 ZINC001238325864 846057464 /nfs/dbraw/zinc/05/74/64/846057464.db2.gz CVOHYTMYFKPOSW-PELKAZGASA-N 0 3 357.779 -0.267 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)N1 ZINC001238325865 846057191 /nfs/dbraw/zinc/05/71/91/846057191.db2.gz CVOHYTMYFKPOSW-PRHODGIISA-N 0 3 357.779 -0.267 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)N1 ZINC001238325866 846057018 /nfs/dbraw/zinc/05/70/18/846057018.db2.gz CVOHYTMYFKPOSW-QPUJVOFHSA-N 0 3 357.779 -0.267 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)N1 ZINC001238325867 846057114 /nfs/dbraw/zinc/05/71/14/846057114.db2.gz CVOHYTMYFKPOSW-UFBFGSQYSA-N 0 3 357.779 -0.267 20 0 FBADHN COC(=O)c1ccc(CS(=O)(=O)[N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1 ZINC001238328260 846057342 /nfs/dbraw/zinc/05/73/42/846057342.db2.gz PXAZPWDEQMALSQ-DOMZBBRYSA-N 0 3 353.400 -0.529 20 0 FBADHN COC(=O)c1ccc(CS(=O)(=O)[N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1 ZINC001238328275 846056928 /nfs/dbraw/zinc/05/69/28/846056928.db2.gz PXAZPWDEQMALSQ-IUODEOHRSA-N 0 3 353.400 -0.529 20 0 FBADHN COC(=O)c1ccc(CS(=O)(=O)[N-][C@]23CC[NH2+][C@H]2CC(=O)N3)cc1 ZINC001238328276 846057492 /nfs/dbraw/zinc/05/74/92/846057492.db2.gz PXAZPWDEQMALSQ-SWLSCSKDSA-N 0 3 353.400 -0.529 20 0 FBADHN COC(=O)c1ccc(CS(=O)(=O)[N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1 ZINC001238328278 846057245 /nfs/dbraw/zinc/05/72/45/846057245.db2.gz PXAZPWDEQMALSQ-WFASDCNBSA-N 0 3 353.400 -0.529 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)c2ccc(Br)cn2)N1 ZINC001238332507 846057817 /nfs/dbraw/zinc/05/78/17/846057817.db2.gz RTAPTJZTLBPOBV-GZMMTYOYSA-N 0 3 361.221 -0.300 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)c2ccc(Br)cn2)N1 ZINC001238332508 846058068 /nfs/dbraw/zinc/05/80/68/846058068.db2.gz RTAPTJZTLBPOBV-KCJUWKMLSA-N 0 3 361.221 -0.300 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)c2ccc(Br)cn2)N1 ZINC001238332509 846058551 /nfs/dbraw/zinc/05/85/51/846058551.db2.gz RTAPTJZTLBPOBV-KWQFWETISA-N 0 3 361.221 -0.300 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)c2ccc(Br)cn2)N1 ZINC001238332510 846058164 /nfs/dbraw/zinc/05/81/64/846058164.db2.gz RTAPTJZTLBPOBV-LDYMZIIASA-N 0 3 361.221 -0.300 20 0 FBADHN COc1ccc(OCCCS(=O)(=O)[N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1 ZINC001238332595 846058358 /nfs/dbraw/zinc/05/83/58/846058358.db2.gz TXCSSRNZKMQRDV-GDBMZVCRSA-N 0 3 369.443 -0.038 20 0 FBADHN COc1ccc(OCCCS(=O)(=O)[N-][C@]23CC[NH2+][C@H]2CC(=O)N3)cc1 ZINC001238332596 846058423 /nfs/dbraw/zinc/05/84/23/846058423.db2.gz TXCSSRNZKMQRDV-GOEBONIOSA-N 0 3 369.443 -0.038 20 0 FBADHN COc1ccc(OCCCS(=O)(=O)[N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1 ZINC001238332597 846057992 /nfs/dbraw/zinc/05/79/92/846057992.db2.gz TXCSSRNZKMQRDV-HOCLYGCPSA-N 0 3 369.443 -0.038 20 0 FBADHN COc1ccc(OCCCS(=O)(=O)[N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1 ZINC001238332598 846058330 /nfs/dbraw/zinc/05/83/30/846058330.db2.gz TXCSSRNZKMQRDV-ZBFHGGJFSA-N 0 3 369.443 -0.038 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)c2cccc(Br)n2)N1 ZINC001238333246 846059037 /nfs/dbraw/zinc/05/90/37/846059037.db2.gz VCDKFSKYMOIUBE-CPCISQLKSA-N 0 3 361.221 -0.300 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)c2cccc(Br)n2)N1 ZINC001238333247 846059319 /nfs/dbraw/zinc/05/93/19/846059319.db2.gz VCDKFSKYMOIUBE-HQJQHLMTSA-N 0 3 361.221 -0.300 20 0 FBADHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)c2cccc(Br)n2)N1 ZINC001238333248 846058906 /nfs/dbraw/zinc/05/89/06/846058906.db2.gz VCDKFSKYMOIUBE-RDDDGLTNSA-N 0 3 361.221 -0.300 20 0 FBADHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)c2cccc(Br)n2)N1 ZINC001238333249 846058863 /nfs/dbraw/zinc/05/88/63/846058863.db2.gz VCDKFSKYMOIUBE-WRWORJQWSA-N 0 3 361.221 -0.300 20 0 FBADHN COC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001238347081 846060212 /nfs/dbraw/zinc/06/02/12/846060212.db2.gz YOAKAIOJGJJZMN-LBPRGKRZSA-N 0 3 368.419 -0.184 20 0 FBADHN COC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001238347081 846060204 /nfs/dbraw/zinc/06/02/04/846060204.db2.gz YOAKAIOJGJJZMN-LBPRGKRZSA-N 0 3 368.419 -0.184 20 0 FBADHN CN(C)C(=O)CN1C(=O)CCC12CCC(NS(=O)(=O)CCN)CC2 ZINC001238362943 846061035 /nfs/dbraw/zinc/06/10/35/846061035.db2.gz DOJIEZSVQLFBAU-UHFFFAOYSA-N 0 3 360.480 -0.744 20 0 FBADHN NCCS(=O)(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001238363000 846060903 /nfs/dbraw/zinc/06/09/03/846060903.db2.gz FDIQDPNWEXDSOM-AWEZNQCLSA-N 0 3 365.459 -0.520 20 0 FBADHN NCCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001238363019 846061054 /nfs/dbraw/zinc/06/10/54/846061054.db2.gz FDIQDPNWEXDSOM-CQSZACIVSA-N 0 3 365.459 -0.520 20 0 FBADHN NCCS(=O)(=O)NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC001238363193 846060794 /nfs/dbraw/zinc/06/07/94/846060794.db2.gz GCHCOHCFBWZMIJ-AWEZNQCLSA-N 0 3 351.432 -0.182 20 0 FBADHN NCCS(=O)(=O)NC[C@H]1OCCc2cn(Cc3ccccn3)nc21 ZINC001238363195 846061177 /nfs/dbraw/zinc/06/11/77/846061177.db2.gz GCHCOHCFBWZMIJ-CQSZACIVSA-N 0 3 351.432 -0.182 20 0 FBADHN NCCS(=O)(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21 ZINC001238364106 846061273 /nfs/dbraw/zinc/06/12/73/846061273.db2.gz OFXIEEANIOPGNJ-AWEZNQCLSA-N 0 3 358.464 -0.198 20 0 FBADHN NCCS(=O)(=O)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 ZINC001238364112 846061162 /nfs/dbraw/zinc/06/11/62/846061162.db2.gz OFXIEEANIOPGNJ-CQSZACIVSA-N 0 3 358.464 -0.198 20 0 FBADHN NCCS(=O)(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001238364265 846061073 /nfs/dbraw/zinc/06/10/73/846061073.db2.gz QYACTNZXWYOKFG-GFCCVEGCSA-N 0 3 355.395 -0.139 20 0 FBADHN NCCS(=O)(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001238364271 846061323 /nfs/dbraw/zinc/06/13/23/846061323.db2.gz QYACTNZXWYOKFG-LBPRGKRZSA-N 0 3 355.395 -0.139 20 0 FBADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CN(C3CC[NH2+]CC3)C2)s1 ZINC001238475164 846063194 /nfs/dbraw/zinc/06/31/94/846063194.db2.gz PJPTXHZIZXKPFM-UHFFFAOYSA-N 0 3 359.477 -0.184 20 0 FBADHN O=S(=O)(NC1CN(C2CC[NH2+]CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001238475579 846063257 /nfs/dbraw/zinc/06/32/57/846063257.db2.gz QZSNMBUVBKOTKP-UHFFFAOYSA-N 0 3 363.447 -0.419 20 0 FBADHN O=S(=O)(NC1CN(C2CC[NH2+]CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001238475579 846063246 /nfs/dbraw/zinc/06/32/46/846063246.db2.gz QZSNMBUVBKOTKP-UHFFFAOYSA-N 0 3 363.447 -0.419 20 0 FBADHN CC(C)(C)OC(=O)[C@H](CCC(N)=O)[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238595354 846063876 /nfs/dbraw/zinc/06/38/76/846063876.db2.gz LOXBUQNWLZVKOW-LBPRGKRZSA-N 0 3 363.480 -0.119 20 0 FBADHN NCCS(=O)(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001238595776 846064095 /nfs/dbraw/zinc/06/40/95/846064095.db2.gz OPVKQDYVLBXRRZ-UHFFFAOYSA-N 0 3 363.461 -0.914 20 0 FBADHN CCOC(=O)C1=C(NS(=O)(=O)c2cnccc2C(=O)OCC)CNC1 ZINC001238779663 846067807 /nfs/dbraw/zinc/06/78/07/846067807.db2.gz BSTWXBCRNXFORG-UHFFFAOYSA-N 0 3 369.399 -0.043 20 0 FBADHN CCOC(=O)C1=C(NS(=O)(=O)c2ccc(C(=O)NC)cc2)CNC1 ZINC001238780325 846067988 /nfs/dbraw/zinc/06/79/88/846067988.db2.gz GOAHQGDILCBTSX-UHFFFAOYSA-N 0 3 353.400 -0.255 20 0 FBADHN CCOC(=O)C1=C(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CNC1 ZINC001238780775 846067930 /nfs/dbraw/zinc/06/79/30/846067930.db2.gz KYDXRRYBMMVIEO-UHFFFAOYSA-N 0 3 351.384 -0.120 20 0 FBADHN CCOC(=O)C1=C(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CNC1 ZINC001238781352 846067726 /nfs/dbraw/zinc/06/77/26/846067726.db2.gz QCTNSLHOHUORPS-UHFFFAOYSA-N 0 3 367.383 -0.284 20 0 FBADHN CCOC(=O)C1=C(NS(=O)(=O)c2cncc(C(=O)OC)c2)CNC1 ZINC001238781933 846067583 /nfs/dbraw/zinc/06/75/83/846067583.db2.gz WGPITLGVQJLLRD-UHFFFAOYSA-N 0 3 355.372 -0.433 20 0 FBADHN CCOC(=O)C1=C(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CNC1 ZINC001238782111 846067881 /nfs/dbraw/zinc/06/78/81/846067881.db2.gz YSYWTBSSBHTRES-UHFFFAOYSA-N 0 3 365.411 -0.096 20 0 FBADHN CCOC(=O)C1=C(NS(=O)(=O)c2ccc(O)c(C(=O)OC)c2)CNC1 ZINC001238782126 846068030 /nfs/dbraw/zinc/06/80/30/846068030.db2.gz ZGYONIHNPGRAHX-UHFFFAOYSA-N 0 3 370.383 -0.123 20 0 FBADHN COC(=O)[C@H](Cc1cccc(S(C)(=O)=O)c1)[N-]S(=O)(=O)CC[NH3+] ZINC001238800455 846067947 /nfs/dbraw/zinc/06/79/47/846067947.db2.gz JRIHFDRNTSOSPC-LBPRGKRZSA-N 0 3 364.445 -0.948 20 0 FBADHN COC(=O)c1cccc(C(=O)N2CCC(NS(=O)(=O)CCN)CC2)c1 ZINC001238806877 846068147 /nfs/dbraw/zinc/06/81/47/846068147.db2.gz AJHJBWGMLUIUPM-UHFFFAOYSA-N 0 3 369.443 -0.044 20 0 FBADHN COC(=O)c1ccc(C(=O)N2CCC(NS(=O)(=O)CCN)CC2)cc1 ZINC001238807171 846067605 /nfs/dbraw/zinc/06/76/05/846067605.db2.gz DDXLUFMDGYCNGU-UHFFFAOYSA-N 0 3 369.443 -0.044 20 0 FBADHN COC(=O)c1ccccc1C(=O)N1CCC(NS(=O)(=O)CCN)CC1 ZINC001238807522 846067440 /nfs/dbraw/zinc/06/74/40/846067440.db2.gz HSKDIMRLEXIUGS-UHFFFAOYSA-N 0 3 369.443 -0.044 20 0 FBADHN NC(=O)[C@@H](N)CCCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001238835347 846068483 /nfs/dbraw/zinc/06/84/83/846068483.db2.gz CTJPIZBICCEJFC-ZDUSSCGKSA-N 0 3 371.463 -0.821 20 0 FBADHN CS(=O)(=O)c1ccccc1S(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238835401 846068615 /nfs/dbraw/zinc/06/86/15/846068615.db2.gz DZFZARXTDYBWSR-JTQLQIEISA-N 0 3 363.461 -0.649 20 0 FBADHN NC(=O)[C@@H](N)CCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001238836037 846068722 /nfs/dbraw/zinc/06/87/22/846068722.db2.gz JVWYHXURWGZKEG-JTQLQIEISA-N 0 3 356.404 -0.721 20 0 FBADHN CN1c2ccc(S(=O)(=O)NCCCC[C@H](N)C(N)=O)cc2CC1=O ZINC001238836463 846068605 /nfs/dbraw/zinc/06/86/05/846068605.db2.gz LUCZRJREDRNVJP-LBPRGKRZSA-N 0 3 354.432 -0.533 20 0 FBADHN CC(=O)N1CCc2cc(S(=O)(=O)NCCCC[C@H](N)C(N)=O)ccc21 ZINC001238836702 846068838 /nfs/dbraw/zinc/06/88/38/846068838.db2.gz ONJGUNXJWDCBJJ-AWEZNQCLSA-N 0 3 368.459 -0.143 20 0 FBADHN COC(=O)c1ccc(CS(=O)(=O)NCCCC[C@H](N)C(N)=O)cc1 ZINC001238836993 846068685 /nfs/dbraw/zinc/06/86/85/846068685.db2.gz ANGVTWFFWSXNFW-ZDUSSCGKSA-N 0 3 357.432 -0.125 20 0 FBADHN CS(=O)(=O)c1ccc(S(=O)(=O)NCCCC[C@H](N)C(N)=O)cc1 ZINC001238837068 846069126 /nfs/dbraw/zinc/06/91/26/846069126.db2.gz QDAYZBYKWUEENZ-LBPRGKRZSA-N 0 3 363.461 -0.649 20 0 FBADHN NC(=O)[C@@H](N)CCCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001238837188 846068813 /nfs/dbraw/zinc/06/88/13/846068813.db2.gz QSIMGDXXHJHPGN-JTQLQIEISA-N 0 3 369.403 -0.698 20 0 FBADHN COC(=O)c1ccc(OC)c(S(=O)(=O)NCCCC[C@H](N)C(N)=O)c1 ZINC001238837267 846068573 /nfs/dbraw/zinc/06/85/73/846068573.db2.gz RFFQUQKWNBRJCK-NSHDSACASA-N 0 3 373.431 -0.257 20 0 FBADHN NC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001238837825 846068630 /nfs/dbraw/zinc/06/86/30/846068630.db2.gz WMZDUONPAFWLJJ-NSHDSACASA-N 0 3 353.408 -0.872 20 0 FBADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCCCC[C@H](N)C(N)=O)c1 ZINC001238837852 846068945 /nfs/dbraw/zinc/06/89/45/846068945.db2.gz WTHLCVAYPXHMLO-LBPRGKRZSA-N 0 3 363.461 -0.649 20 0 FBADHN COC(=O)[C@H](CCC[NH3+])[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC001238840096 846068762 /nfs/dbraw/zinc/06/87/62/846068762.db2.gz LXIMSRLLNWWQFW-QMMMGPOBSA-N 0 3 350.422 -0.340 20 0 FBADHN COC(=O)[C@H](CCC[NH3+])NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001238840945 846068983 /nfs/dbraw/zinc/06/89/83/846068983.db2.gz VXUUAMYQDNABNT-NSHDSACASA-N 0 3 354.392 -0.575 20 0 FBADHN COC(=O)[C@H](CCC[NH3+])NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001238840945 846068977 /nfs/dbraw/zinc/06/89/77/846068977.db2.gz VXUUAMYQDNABNT-NSHDSACASA-N 0 3 354.392 -0.575 20 0 FBADHN COC(=O)[C@H](CCc1cn(C)cn1)[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238885622 846069986 /nfs/dbraw/zinc/06/99/86/846069986.db2.gz QXGCMSMUXCIOHE-AWEZNQCLSA-N 0 3 358.464 -0.187 20 0 FBADHN NC(=O)C[C@H]([N-]S(=O)(=O)CC[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001238895287 846069729 /nfs/dbraw/zinc/06/97/29/846069729.db2.gz GVASHLSSTXRXQP-AWEZNQCLSA-N 0 3 364.427 -0.100 20 0 FBADHN NCCS(=O)(=O)NCC(=O)NCC(=O)Nc1ccc2ccccc2c1 ZINC001238896309 846070223 /nfs/dbraw/zinc/07/02/23/846070223.db2.gz VWGTVWOEUMNUJL-UHFFFAOYSA-N 0 3 364.427 -0.227 20 0 FBADHN CC(C)[C@H](NS(=O)(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001238900599 846070092 /nfs/dbraw/zinc/07/00/92/846070092.db2.gz MXAXKUKEYDHPCH-KBPBESRZSA-N 0 3 370.475 -0.898 20 0 FBADHN CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)CCN)C(N)=O ZINC001238901214 846070197 /nfs/dbraw/zinc/07/01/97/846070197.db2.gz PNAXBHJJHZJOKY-RYUDHWBXSA-N 0 3 350.485 -0.705 20 0 FBADHN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)CCN ZINC001238901569 846069937 /nfs/dbraw/zinc/06/99/37/846069937.db2.gz SKZCZZQZIHAVQA-STQMWFEESA-N 0 3 365.496 -0.017 20 0 FBADHN COc1ccc(CN2C[C@@H](NS(=O)(=O)CCN)CC2=O)c(OC)c1 ZINC001238904633 846070186 /nfs/dbraw/zinc/07/01/86/846070186.db2.gz VGAALIBSWRPJID-LBPRGKRZSA-N 0 3 357.432 -0.317 20 0 FBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)CCN)C(N)=O ZINC001238914293 846069701 /nfs/dbraw/zinc/06/97/01/846069701.db2.gz CZHBPINPZDVVNM-QWRGUYRKSA-N 0 3 368.525 -0.998 20 0 FBADHN CC(C)C[C@H](NS(=O)(=O)CCN)C(=O)NCC(=O)OC(C)(C)C ZINC001238914665 846070136 /nfs/dbraw/zinc/07/01/36/846070136.db2.gz HMUALWGIDBKHTL-NSHDSACASA-N 0 3 351.469 -0.263 20 0 FBADHN CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001238916909 846069767 /nfs/dbraw/zinc/06/97/67/846069767.db2.gz COEBUKPHKOYNPZ-LBPRGKRZSA-N 0 3 367.435 -0.611 20 0 FBADHN CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001238916909 846069763 /nfs/dbraw/zinc/06/97/63/846069763.db2.gz COEBUKPHKOYNPZ-LBPRGKRZSA-N 0 3 367.435 -0.611 20 0 FBADHN CNC(=O)[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC001238919220 846069824 /nfs/dbraw/zinc/06/98/24/846069824.db2.gz ZXIOWEKGTJGMJI-VIFPVBQESA-N 0 3 363.465 -0.377 20 0 FBADHN [NH3+]C[C@]1(O)CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001238935087 846069748 /nfs/dbraw/zinc/06/97/48/846069748.db2.gz ZRAGQDOVAFIJND-AWEZNQCLSA-N 0 3 352.420 -0.269 20 0 FBADHN [NH3+]C[C@]1(O)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001238935087 846069745 /nfs/dbraw/zinc/06/97/45/846069745.db2.gz ZRAGQDOVAFIJND-AWEZNQCLSA-N 0 3 352.420 -0.269 20 0 FBADHN [NH3+]C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001238935094 846069814 /nfs/dbraw/zinc/06/98/14/846069814.db2.gz ZRAGQDOVAFIJND-CQSZACIVSA-N 0 3 352.420 -0.269 20 0 FBADHN [NH3+]C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001238935094 846069808 /nfs/dbraw/zinc/06/98/08/846069808.db2.gz ZRAGQDOVAFIJND-CQSZACIVSA-N 0 3 352.420 -0.269 20 0 FBADHN [NH3+]C[C@@]1(O)CCCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001238944389 846070916 /nfs/dbraw/zinc/07/09/16/846070916.db2.gz WAWFGKGKOQPOBL-AWEZNQCLSA-N 0 3 352.420 -0.269 20 0 FBADHN [NH3+]C[C@@]1(O)CCCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001238944389 846070910 /nfs/dbraw/zinc/07/09/10/846070910.db2.gz WAWFGKGKOQPOBL-AWEZNQCLSA-N 0 3 352.420 -0.269 20 0 FBADHN [NH3+]C[C@]1(O)CCCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001238944390 846070846 /nfs/dbraw/zinc/07/08/46/846070846.db2.gz WAWFGKGKOQPOBL-CQSZACIVSA-N 0 3 352.420 -0.269 20 0 FBADHN [NH3+]C[C@]1(O)CCCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001238944390 846070839 /nfs/dbraw/zinc/07/08/39/846070839.db2.gz WAWFGKGKOQPOBL-CQSZACIVSA-N 0 3 352.420 -0.269 20 0 FBADHN COC(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CCN)CC2)c1 ZINC001238971335 846071005 /nfs/dbraw/zinc/07/10/05/846071005.db2.gz WUBCQLSOFPUAHV-UHFFFAOYSA-N 0 3 369.443 -0.044 20 0 FBADHN NCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001238988562 846070940 /nfs/dbraw/zinc/07/09/40/846070940.db2.gz WVFOCKDDJKOIDH-UHFFFAOYSA-N 0 3 351.425 -0.580 20 0 FBADHN O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001238989974 846071177 /nfs/dbraw/zinc/07/11/77/846071177.db2.gz PXBCRWYVAIQKGP-UHFFFAOYSA-N 0 3 363.447 -0.417 20 0 FBADHN O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001238989974 846071171 /nfs/dbraw/zinc/07/11/71/846071171.db2.gz PXBCRWYVAIQKGP-UHFFFAOYSA-N 0 3 363.447 -0.417 20 0 FBADHN NCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC001238990369 846071239 /nfs/dbraw/zinc/07/12/39/846071239.db2.gz VJGXHDGVBHRGQB-UHFFFAOYSA-N 0 3 351.425 -0.580 20 0 FBADHN COC(=O)c1cncc(S(=O)(=O)N2CCNC[C@@]3(CCCCN3)C2)c1 ZINC001239015132 846071796 /nfs/dbraw/zinc/07/17/96/846071796.db2.gz OSITYXWVTIXAAJ-INIZCTEOSA-N 0 3 368.459 -0.026 20 0 FBADHN COC(=O)c1cncc(S(=O)(=O)N2CCNC[C@]3(CCCCN3)C2)c1 ZINC001239015136 846071959 /nfs/dbraw/zinc/07/19/59/846071959.db2.gz OSITYXWVTIXAAJ-MRXNPFEDSA-N 0 3 368.459 -0.026 20 0 FBADHN O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239018296 846071865 /nfs/dbraw/zinc/07/18/65/846071865.db2.gz WXJWZGPKPVSHEQ-KBPBESRZSA-N 0 3 363.447 -0.419 20 0 FBADHN O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239018296 846071860 /nfs/dbraw/zinc/07/18/60/846071860.db2.gz WXJWZGPKPVSHEQ-KBPBESRZSA-N 0 3 363.447 -0.419 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2OC[C@@H](C(=O)Nc3cnccn3)C[C@H]2C1 ZINC001239073627 846072795 /nfs/dbraw/zinc/07/27/95/846072795.db2.gz FIDIEVHPIPAACK-RWMBFGLXSA-N 0 3 369.447 -0.569 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccco2)C1 ZINC001239074030 846073377 /nfs/dbraw/zinc/07/33/77/846073377.db2.gz JCILLBOYIAVKRR-UKRRQHHQSA-N 0 3 357.432 -0.335 20 0 FBADHN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(S(=O)(=O)CCN)C2 ZINC001239074315 846073333 /nfs/dbraw/zinc/07/33/33/846073333.db2.gz CLKFZDLXUVGJFC-CYBMUJFWSA-N 0 3 366.447 -0.385 20 0 FBADHN Cn1nnc2c1[C@H](COCc1cccnc1)CN(S(=O)(=O)CCN)C2 ZINC001239074316 846073267 /nfs/dbraw/zinc/07/32/67/846073267.db2.gz CLKFZDLXUVGJFC-ZDUSSCGKSA-N 0 3 366.447 -0.385 20 0 FBADHN NCCS(=O)(=O)N1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001239074431 846072881 /nfs/dbraw/zinc/07/28/81/846072881.db2.gz DXSSUIRGFUZVGG-UHFFFAOYSA-N 0 3 353.448 -0.307 20 0 FBADHN Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2S(=O)(=O)CCN)cn1 ZINC001239074684 846073414 /nfs/dbraw/zinc/07/34/14/846073414.db2.gz GHODKKAMLJCUGJ-CABCVRRESA-N 0 3 357.480 -0.974 20 0 FBADHN Cc1nc(C)n(C[C@@H]2Cn3ccnc3CN(S(=O)(=O)CCN)C2)n1 ZINC001239074714 846073232 /nfs/dbraw/zinc/07/32/32/846073232.db2.gz HAWBJKBATZEWDY-CYBMUJFWSA-N 0 3 353.452 -0.488 20 0 FBADHN Cc1nc(C)n(C[C@H]2Cn3ccnc3CN(S(=O)(=O)CCN)C2)n1 ZINC001239074733 846073020 /nfs/dbraw/zinc/07/30/20/846073020.db2.gz HAWBJKBATZEWDY-ZDUSSCGKSA-N 0 3 353.452 -0.488 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001239074899 846073199 /nfs/dbraw/zinc/07/31/99/846073199.db2.gz IDAYXQRNBHWEFZ-BNOWGMLFSA-N 0 3 363.455 -0.570 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2OCC[C@@]2(C(=O)Nc2cccnc2)C1 ZINC001239074900 846073157 /nfs/dbraw/zinc/07/31/57/846073157.db2.gz GMQJIVXZSCMXRP-UKRRQHHQSA-N 0 3 354.432 -0.210 20 0 FBADHN NCCS(=O)(=O)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001239074908 846073977 /nfs/dbraw/zinc/07/39/77/846073977.db2.gz IIZJQRROZOPUIP-UHFFFAOYSA-N 0 3 352.420 -0.601 20 0 FBADHN NCCS(=O)(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001239074948 846074544 /nfs/dbraw/zinc/07/45/44/846074544.db2.gz HNJIDQLYJCOWMF-GZBFAFLISA-N 0 3 361.464 -0.854 20 0 FBADHN CC(C)CN1C[C@H]2CCN(S(=O)(=O)CCN)CC[C@H]2S1(=O)=O ZINC001239075530 846074478 /nfs/dbraw/zinc/07/44/78/846074478.db2.gz HBJQQCYFZSWDJE-CHWSQXEVSA-N 0 3 353.510 -0.343 20 0 FBADHN Cc1oncc1C(=O)N[C@@H]1CN(S(=O)(=O)CCN)C[C@@H]2CCCO[C@H]12 ZINC001239075764 846073999 /nfs/dbraw/zinc/07/39/99/846073999.db2.gz XCHFOJAAUUCRCS-YUTCNCBUSA-N 0 3 372.447 -0.519 20 0 FBADHN NCCS(=O)(=O)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001239076011 846074442 /nfs/dbraw/zinc/07/44/42/846074442.db2.gz NMXWXLXFRBETGZ-UHFFFAOYSA-N 0 3 352.420 -0.254 20 0 FBADHN Cn1nnc2c1CCN(S(=O)(=O)CCN)[C@H]2COCc1cccnc1 ZINC001239076036 846074076 /nfs/dbraw/zinc/07/40/76/846074076.db2.gz AFAQWAZSYXSWFL-AWEZNQCLSA-N 0 3 366.447 -0.385 20 0 FBADHN Cn1nnc2c1CCN(S(=O)(=O)CCN)[C@@H]2COCc1cccnc1 ZINC001239076037 846073767 /nfs/dbraw/zinc/07/37/67/846073767.db2.gz AFAQWAZSYXSWFL-CQSZACIVSA-N 0 3 366.447 -0.385 20 0 FBADHN NCCS(=O)(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001239076126 846074190 /nfs/dbraw/zinc/07/41/90/846074190.db2.gz BAWAAMFGTCCUFX-UHFFFAOYSA-N 0 3 352.420 -0.506 20 0 FBADHN CC(C)C(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)CCN)CCC2 ZINC001239076273 846074260 /nfs/dbraw/zinc/07/42/60/846074260.db2.gz PMSAGBHOHABZMY-UHFFFAOYSA-N 0 3 371.463 -0.990 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001239076299 846074238 /nfs/dbraw/zinc/07/42/38/846074238.db2.gz COGWTUOTZROWBK-ZNMIVQPWSA-N 0 3 368.459 -0.421 20 0 FBADHN CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(S(=O)(=O)CCN)C2 ZINC001239076417 846074429 /nfs/dbraw/zinc/07/44/29/846074429.db2.gz UXKUJYYSFKOFOF-INIZCTEOSA-N 0 3 352.460 -0.302 20 0 FBADHN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(S(=O)(=O)CCN)C2 ZINC001239076418 846074207 /nfs/dbraw/zinc/07/42/07/846074207.db2.gz UXKUJYYSFKOFOF-MRXNPFEDSA-N 0 3 352.460 -0.302 20 0 FBADHN C[C@H]1N(c2cccnc2)C(=O)COC12CCN(S(=O)(=O)CCN)CC2 ZINC001239076472 846073929 /nfs/dbraw/zinc/07/39/29/846073929.db2.gz DBYQIPZOBGSOHO-CYBMUJFWSA-N 0 3 368.459 -0.044 20 0 FBADHN C[C@@H]1N(c2cccnc2)C(=O)COC12CCN(S(=O)(=O)CCN)CC2 ZINC001239076474 846074500 /nfs/dbraw/zinc/07/45/00/846074500.db2.gz DBYQIPZOBGSOHO-ZDUSSCGKSA-N 0 3 368.459 -0.044 20 0 FBADHN NCCS(=O)(=O)N1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001239076571 846073781 /nfs/dbraw/zinc/07/37/81/846073781.db2.gz RPDDDHKQDMEZEJ-IPYPFGDCSA-N 0 3 361.464 -0.854 20 0 FBADHN NCCS(=O)(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001239076725 846073876 /nfs/dbraw/zinc/07/38/76/846073876.db2.gz UCTGJHKSCGKLMW-RRFJBIMHSA-N 0 3 368.459 -0.677 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001239076741 846074025 /nfs/dbraw/zinc/07/40/25/846074025.db2.gz FQJUPUOVMAWVNA-BNOWGMLFSA-N 0 3 357.432 -0.621 20 0 FBADHN NCCS(=O)(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 ZINC001239076790 846074346 /nfs/dbraw/zinc/07/43/46/846074346.db2.gz UTMAOVASDRIILV-UHFFFAOYSA-N 0 3 359.427 -0.425 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccnc2)C1 ZINC001239076813 846074049 /nfs/dbraw/zinc/07/40/49/846074049.db2.gz XURWXPOFPPMYLY-GDBMZVCRSA-N 0 3 368.459 -0.533 20 0 FBADHN NCCS(=O)(=O)N1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001239076857 846074312 /nfs/dbraw/zinc/07/43/12/846074312.db2.gz GTRPNIWTFFWZSE-IHRRRGAJSA-N 0 3 354.432 -0.668 20 0 FBADHN NCCS(=O)(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1 ZINC001239077040 846074568 /nfs/dbraw/zinc/07/45/68/846074568.db2.gz WUOHZLXJYZRUJN-UHFFFAOYSA-N 0 3 374.488 -0.695 20 0 FBADHN NCCS(=O)(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001239077097 846074249 /nfs/dbraw/zinc/07/42/49/846074249.db2.gz XMZQFXCNVFYTSE-MRVWCRGKSA-N 0 3 354.432 -0.212 20 0 FBADHN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(S(=O)(=O)CCN)CC2 ZINC001239077143 846074097 /nfs/dbraw/zinc/07/40/97/846074097.db2.gz YSBPPRGALYTBBP-GFCCVEGCSA-N 0 3 371.463 -0.705 20 0 FBADHN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(S(=O)(=O)CCN)CC2 ZINC001239077144 846074521 /nfs/dbraw/zinc/07/45/21/846074521.db2.gz YSBPPRGALYTBBP-LBPRGKRZSA-N 0 3 371.463 -0.705 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 ZINC001239077180 846074063 /nfs/dbraw/zinc/07/40/63/846074063.db2.gz ZAEVARCRQVKFIA-IACUBPJLSA-N 0 3 357.432 -0.336 20 0 FBADHN Cn1cccc1C(=O)N[C@@H]1CN(S(=O)(=O)CCN)[C@@H]2CCCO[C@H]12 ZINC001239077224 846074373 /nfs/dbraw/zinc/07/43/73/846074373.db2.gz ZDBLMQLLCFXHNN-YRGRVCCFSA-N 0 3 356.448 -0.725 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001239077350 846074413 /nfs/dbraw/zinc/07/44/13/846074413.db2.gz GTRPNIWTFFWZSE-RDBSUJKOSA-N 0 3 354.432 -0.668 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1 ZINC001239077403 846074303 /nfs/dbraw/zinc/07/43/03/846074303.db2.gz HOWKFZSWOJTMCF-IUODEOHRSA-N 0 3 373.500 -0.356 20 0 FBADHN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(S(=O)(=O)CCN)C1 ZINC001239077595 846074513 /nfs/dbraw/zinc/07/45/13/846074513.db2.gz LGFVCMNZMHXRCK-HNNXBMFYSA-N 0 3 355.464 -0.387 20 0 FBADHN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(S(=O)(=O)CCN)C1 ZINC001239077596 846074288 /nfs/dbraw/zinc/07/42/88/846074288.db2.gz LGFVCMNZMHXRCK-OAHLLOKOSA-N 0 3 355.464 -0.387 20 0 FBADHN Cc1ncccc1NC(=O)[C@H]1COC[C@H]2CN(S(=O)(=O)CCN)C[C@H]21 ZINC001239077656 846073743 /nfs/dbraw/zinc/07/37/43/846073743.db2.gz RKXXJZMHMDWPPS-MCIONIFRSA-N 0 3 368.459 -0.189 20 0 FBADHN Cn1nnc2c1[C@@H](COCc1ccccn1)CN(S(=O)(=O)CCN)C2 ZINC001239077659 846074533 /nfs/dbraw/zinc/07/45/33/846074533.db2.gz RMRBASGBBNMXQZ-GFCCVEGCSA-N 0 3 366.447 -0.385 20 0 FBADHN Cn1nnc2c1[C@H](COCc1ccccn1)CN(S(=O)(=O)CCN)C2 ZINC001239077660 846074044 /nfs/dbraw/zinc/07/40/44/846074044.db2.gz RMRBASGBBNMXQZ-LBPRGKRZSA-N 0 3 366.447 -0.385 20 0 FBADHN Cc1ccc(N2CCO[C@@H]3CN(S(=O)(=O)CCN)CC[C@@H]3C2)nn1 ZINC001239077761 846074335 /nfs/dbraw/zinc/07/43/35/846074335.db2.gz NNMYBZYPAMROCT-ZIAGYGMSSA-N 0 3 355.464 -0.399 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001239077884 846074120 /nfs/dbraw/zinc/07/41/20/846074120.db2.gz WCJRKDPJEXIUBR-MCIONIFRSA-N 0 3 361.464 -0.951 20 0 FBADHN NCCS(=O)(=O)N1CC[C@]2(C1)C[C@@H](NC(=O)N1CCCC1)CCO2 ZINC001239078110 846074360 /nfs/dbraw/zinc/07/43/60/846074360.db2.gz STBWJNDOOJRXEN-DZGCQCFKSA-N 0 3 360.480 -0.296 20 0 FBADHN Cn1cccc1C(=O)N[C@H]1CN(S(=O)(=O)CCN)[C@@H]2CCCO[C@@H]21 ZINC001239078159 846075313 /nfs/dbraw/zinc/07/53/13/846075313.db2.gz ZDBLMQLLCFXHNN-OUCADQQQSA-N 0 3 356.448 -0.725 20 0 FBADHN COC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)CCN)CC2 ZINC001239078294 846075678 /nfs/dbraw/zinc/07/56/78/846075678.db2.gz TYZVEZDSJQETJP-UHFFFAOYSA-N 0 3 356.448 -0.377 20 0 FBADHN NCCS(=O)(=O)N1CCC2(CCN(C(=O)c3cnccn3)C2)CC1 ZINC001239078482 846075402 /nfs/dbraw/zinc/07/54/02/846075402.db2.gz XDJBFNZCLYNGHM-UHFFFAOYSA-N 0 3 353.448 -0.307 20 0 FBADHN Cn1cc([C@H]2CC(=O)N(C)C23CCN(S(=O)(=O)CCN)CC3)cn1 ZINC001239078537 846075045 /nfs/dbraw/zinc/07/50/45/846075045.db2.gz YKTHOVXMVDDPMN-CYBMUJFWSA-N 0 3 355.464 -0.511 20 0 FBADHN Cn1cc([C@@H]2CC(=O)N(C)C23CCN(S(=O)(=O)CCN)CC3)cn1 ZINC001239078539 846075881 /nfs/dbraw/zinc/07/58/81/846075881.db2.gz YKTHOVXMVDDPMN-ZDUSSCGKSA-N 0 3 355.464 -0.511 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2[C@@H](CC(=O)NCc3ccco3)OC[C@H]2C1 ZINC001239078567 846075009 /nfs/dbraw/zinc/07/50/09/846075009.db2.gz YYJBOZALXIWLOT-BPLDGKMQSA-N 0 3 371.459 -0.089 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC001239080165 846075701 /nfs/dbraw/zinc/07/57/01/846075701.db2.gz BZAAGKBFHGLPPX-BETUJISGSA-N 0 3 359.473 -0.473 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 ZINC001239080167 846075239 /nfs/dbraw/zinc/07/52/39/846075239.db2.gz BZAAGKBFHGLPPX-CHWSQXEVSA-N 0 3 359.473 -0.473 20 0 FBADHN NCCS(=O)(=O)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC001239080170 846075840 /nfs/dbraw/zinc/07/58/40/846075840.db2.gz BZAAGKBFHGLPPX-STQMWFEESA-N 0 3 359.473 -0.473 20 0 FBADHN Cn1cccc1C(=O)NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)CCN)C[C@@H]21 ZINC001239080522 846075394 /nfs/dbraw/zinc/07/53/94/846075394.db2.gz AORZKOUNYXGVKI-KCQAQPDRSA-N 0 3 370.475 -0.620 20 0 FBADHN Cc1nc(CN2CCO[C@@H]3CN(S(=O)(=O)CCN)C[C@@H]3C2)cs1 ZINC001239080594 846075630 /nfs/dbraw/zinc/07/56/30/846075630.db2.gz BGMDSADIVDZRKJ-GXTWGEPZSA-N 0 3 360.505 -0.127 20 0 FBADHN NCCS(=O)(=O)N1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001239080648 846075866 /nfs/dbraw/zinc/07/58/66/846075866.db2.gz FHJUHNPKENSPPO-SWLSCSKDSA-N 0 3 369.447 -0.882 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001239080678 846075285 /nfs/dbraw/zinc/07/52/85/846075285.db2.gz HRSGROIIGZHCTQ-LSDHHAIUSA-N 0 3 353.444 -0.252 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2OC[C@@H](C(=O)NCc3ccco3)C[C@H]2C1 ZINC001239080702 846075855 /nfs/dbraw/zinc/07/58/55/846075855.db2.gz IJKRNKOSRYJLRC-KCQAQPDRSA-N 0 3 371.459 -0.089 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001239080703 846075161 /nfs/dbraw/zinc/07/51/61/846075161.db2.gz IJQMMSIRQLPANA-GDBMZVCRSA-N 0 3 368.459 -0.533 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001239080788 846075205 /nfs/dbraw/zinc/07/52/05/846075205.db2.gz FQJUPUOVMAWVNA-MRVWCRGKSA-N 0 3 357.432 -0.621 20 0 FBADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)CCN)O1 ZINC001239080794 846075785 /nfs/dbraw/zinc/07/57/85/846075785.db2.gz CVJZVZQHYWAPSF-KFWWJZLASA-N 0 3 368.459 -0.440 20 0 FBADHN COCCN1CC2(CCN(S(=O)(=O)CCN)CC2)[C@H](COC)C1=O ZINC001239080796 846075582 /nfs/dbraw/zinc/07/55/82/846075582.db2.gz CXVZQQHZNJKATM-CYBMUJFWSA-N 0 3 363.480 -0.892 20 0 FBADHN COCCN1CC2(CCN(S(=O)(=O)CCN)CC2)[C@@H](COC)C1=O ZINC001239080798 846075553 /nfs/dbraw/zinc/07/55/53/846075553.db2.gz CXVZQQHZNJKATM-ZDUSSCGKSA-N 0 3 363.480 -0.892 20 0 FBADHN NCCS(=O)(=O)N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001239081063 846074985 /nfs/dbraw/zinc/07/49/85/846074985.db2.gz NDVAKSGQIRBIPA-INIZCTEOSA-N 0 3 370.475 -0.727 20 0 FBADHN NCCS(=O)(=O)N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001239081064 846075612 /nfs/dbraw/zinc/07/56/12/846075612.db2.gz NDVAKSGQIRBIPA-MRXNPFEDSA-N 0 3 370.475 -0.727 20 0 FBADHN CS(=O)(=O)N1C[C@@H]2CN(S(=O)(=O)CCN)C[C@H]2c2ccccc21 ZINC001239081106 846075688 /nfs/dbraw/zinc/07/56/88/846075688.db2.gz HOGIMGFWVJKXGS-WCQYABFASA-N 0 3 359.473 -0.230 20 0 FBADHN NCCS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001239081113 846075372 /nfs/dbraw/zinc/07/53/72/846075372.db2.gz HSLFYYYNXOLHKY-UHFFFAOYSA-N 0 3 368.459 -0.437 20 0 FBADHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)CCN)CC[C@@H]21 ZINC001239081250 846075652 /nfs/dbraw/zinc/07/56/52/846075652.db2.gz JEVZUROVJDFLDQ-ILXRZTDVSA-N 0 3 355.464 -0.517 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001239081381 846075876 /nfs/dbraw/zinc/07/58/76/846075876.db2.gz MSPPXDXZNBLCCA-NVXWUHKLSA-N 0 3 367.471 -0.418 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001239081460 846075272 /nfs/dbraw/zinc/07/52/72/846075272.db2.gz LBRFTUOJLNPREX-SOUVJXGZSA-N 0 3 368.459 -0.563 20 0 FBADHN Cn1ccc(CN2CCOCC23CCN(S(=O)(=O)CCN)CC3)n1 ZINC001239081573 846075774 /nfs/dbraw/zinc/07/57/74/846075774.db2.gz MJDIHNZFVPDFPD-UHFFFAOYSA-N 0 3 357.480 -0.625 20 0 FBADHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)CCN)O1 ZINC001239081607 846075848 /nfs/dbraw/zinc/07/58/48/846075848.db2.gz CVJZVZQHYWAPSF-RBSFLKMASA-N 0 3 368.459 -0.440 20 0 FBADHN CC(C)C(=O)N1CCN(S(=O)(=O)CCN)C[C@]2(CCCC(=O)N2)C1 ZINC001239081634 846075748 /nfs/dbraw/zinc/07/57/48/846075748.db2.gz MZYNNPZLJFJHJH-HNNXBMFYSA-N 0 3 360.480 -0.886 20 0 FBADHN CC(C)C(=O)N1CCN(S(=O)(=O)CCN)C[C@@]2(CCCC(=O)N2)C1 ZINC001239081640 846075716 /nfs/dbraw/zinc/07/57/16/846075716.db2.gz MZYNNPZLJFJHJH-OAHLLOKOSA-N 0 3 360.480 -0.886 20 0 FBADHN NCCS(=O)(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001239081648 846075079 /nfs/dbraw/zinc/07/50/79/846075079.db2.gz NCFPSEIZZNFBAN-HIFRSBDPSA-N 0 3 361.464 -0.853 20 0 FBADHN Cc1ccc(N2CCOC[C@@]3(CCCN(S(=O)(=O)CCN)C3)C2)nn1 ZINC001239081670 846075498 /nfs/dbraw/zinc/07/54/98/846075498.db2.gz RCLXINZUHOGOAM-INIZCTEOSA-N 0 3 369.491 -0.008 20 0 FBADHN Cc1ccc(N2CCOC[C@]3(CCCN(S(=O)(=O)CCN)C3)C2)nn1 ZINC001239081680 846075871 /nfs/dbraw/zinc/07/58/71/846075871.db2.gz RCLXINZUHOGOAM-MRXNPFEDSA-N 0 3 369.491 -0.008 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC001239081713 846075761 /nfs/dbraw/zinc/07/57/61/846075761.db2.gz RJYIFMJUYHFIRS-ZNMIVQPWSA-N 0 3 368.459 -0.421 20 0 FBADHN NCCS(=O)(=O)N1CCOC[C@@]2(CN(c3ccccc3)C(=O)CO2)C1 ZINC001239081761 846075139 /nfs/dbraw/zinc/07/51/39/846075139.db2.gz RXYDKVKIPZXTDL-INIZCTEOSA-N 0 3 369.443 -0.591 20 0 FBADHN NCCS(=O)(=O)N1CCOC[C@]2(CN(c3ccccc3)C(=O)CO2)C1 ZINC001239081763 846075735 /nfs/dbraw/zinc/07/57/35/846075735.db2.gz RXYDKVKIPZXTDL-MRXNPFEDSA-N 0 3 369.443 -0.591 20 0 FBADHN NCCS(=O)(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001239081790 846075058 /nfs/dbraw/zinc/07/50/58/846075058.db2.gz OTBRZLAEQCSFPF-HNNXBMFYSA-N 0 3 353.448 -0.307 20 0 FBADHN NCCS(=O)(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001239081791 846075517 /nfs/dbraw/zinc/07/55/17/846075517.db2.gz OTBRZLAEQCSFPF-OAHLLOKOSA-N 0 3 353.448 -0.307 20 0 FBADHN NCCS(=O)(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001239081866 846075352 /nfs/dbraw/zinc/07/53/52/846075352.db2.gz GMOCGYQNRWKDQD-UHFFFAOYSA-N 0 3 351.388 -0.032 20 0 FBADHN NCCS(=O)(=O)N1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2cccnc2)C1 ZINC001239081898 846075026 /nfs/dbraw/zinc/07/50/26/846075026.db2.gz UCTGJHKSCGKLMW-SOUVJXGZSA-N 0 3 368.459 -0.677 20 0 FBADHN NCCS(=O)(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001239082083 846075568 /nfs/dbraw/zinc/07/55/68/846075568.db2.gz PUFIOYJOXQVOII-CYBMUJFWSA-N 0 3 361.464 -0.995 20 0 FBADHN NCCS(=O)(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001239082087 846075861 /nfs/dbraw/zinc/07/58/61/846075861.db2.gz PUFIOYJOXQVOII-ZDUSSCGKSA-N 0 3 361.464 -0.995 20 0 FBADHN NCCS(=O)(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001239082124 846075253 /nfs/dbraw/zinc/07/52/53/846075253.db2.gz IPBDIQWWXBXHGF-UHFFFAOYSA-N 0 3 369.447 -0.928 20 0 FBADHN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)CCN)C2 ZINC001239082173 846075176 /nfs/dbraw/zinc/07/51/76/846075176.db2.gz UYUOKVMIVHJFJK-DZGCQCFKSA-N 0 3 355.464 -0.175 20 0 FBADHN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(S(=O)(=O)CCN)C2 ZINC001239082176 846075533 /nfs/dbraw/zinc/07/55/33/846075533.db2.gz UYUOKVMIVHJFJK-HIFRSBDPSA-N 0 3 355.464 -0.175 20 0 FBADHN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)CCN)C2 ZINC001239082178 846076294 /nfs/dbraw/zinc/07/62/94/846076294.db2.gz UYUOKVMIVHJFJK-UKRRQHHQSA-N 0 3 355.464 -0.175 20 0 FBADHN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(S(=O)(=O)CCN)C2 ZINC001239082180 846076755 /nfs/dbraw/zinc/07/67/55/846076755.db2.gz UYUOKVMIVHJFJK-ZFWWWQNUSA-N 0 3 355.464 -0.175 20 0 FBADHN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(S(=O)(=O)CCN)CC2 ZINC001239082261 846076590 /nfs/dbraw/zinc/07/65/90/846076590.db2.gz WHVRDOIMCXUMSF-AWEZNQCLSA-N 0 3 359.492 -0.128 20 0 FBADHN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(S(=O)(=O)CCN)CC2 ZINC001239082265 846076909 /nfs/dbraw/zinc/07/69/09/846076909.db2.gz WHVRDOIMCXUMSF-CQSZACIVSA-N 0 3 359.492 -0.128 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@H]21 ZINC001239082371 846076510 /nfs/dbraw/zinc/07/65/10/846076510.db2.gz SKFHKNLBMQVKGO-MGPQQGTHSA-N 0 3 357.432 -0.194 20 0 FBADHN NCCS(=O)(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001239082382 846076809 /nfs/dbraw/zinc/07/68/09/846076809.db2.gz SYXJQTZSAMDPOK-TZMCWYRMSA-N 0 3 357.432 -0.269 20 0 FBADHN Cn1cccc1C(=O)NCc1cn2c(n1)CN(S(=O)(=O)CCN)CC2 ZINC001239082387 846076921 /nfs/dbraw/zinc/07/69/21/846076921.db2.gz TXUUHJZMWAEABM-UHFFFAOYSA-N 0 3 366.447 -0.744 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H](NC(=O)c2ccno2)[C@H]2OCCC[C@H]2C1 ZINC001239082437 846076633 /nfs/dbraw/zinc/07/66/33/846076633.db2.gz QXXWJVDHWWYQIG-LOWVWBTDSA-N 0 3 358.420 -0.828 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001239082445 846076674 /nfs/dbraw/zinc/07/66/74/846076674.db2.gz USUWXZWXOZXFSX-GMXVVIOVSA-N 0 3 358.420 -0.970 20 0 FBADHN NCCS(=O)(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N1CCCC1)CCO2 ZINC001239082645 846076470 /nfs/dbraw/zinc/07/64/70/846076470.db2.gz STBWJNDOOJRXEN-UKRRQHHQSA-N 0 3 360.480 -0.296 20 0 FBADHN NCCS(=O)(=O)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001239082763 846076539 /nfs/dbraw/zinc/07/65/39/846076539.db2.gz ZLYMATUPFJDADO-HNNXBMFYSA-N 0 3 373.454 -0.177 20 0 FBADHN NCCS(=O)(=O)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001239082764 846076345 /nfs/dbraw/zinc/07/63/45/846076345.db2.gz ZLYMATUPFJDADO-OAHLLOKOSA-N 0 3 373.454 -0.177 20 0 FBADHN Cn1cccc1C(=O)N1CCO[C@@H]2CN(S(=O)(=O)CCN)C[C@@H]2C1 ZINC001239082886 846076941 /nfs/dbraw/zinc/07/69/41/846076941.db2.gz LZOAWDMMFSTJSB-GXTWGEPZSA-N 0 3 356.448 -0.914 20 0 FBADHN NCCS(=O)(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC001239082900 846076821 /nfs/dbraw/zinc/07/68/21/846076821.db2.gz MORXCMWUWOEBNE-MCIONIFRSA-N 0 3 361.464 -0.587 20 0 FBADHN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(S(=O)(=O)CCN)C2 ZINC001239082911 846076838 /nfs/dbraw/zinc/07/68/38/846076838.db2.gz MVWRDGXIPDCJKA-INIZCTEOSA-N 0 3 370.450 -0.163 20 0 FBADHN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(S(=O)(=O)CCN)C2 ZINC001239082912 846076933 /nfs/dbraw/zinc/07/69/33/846076933.db2.gz MVWRDGXIPDCJKA-MRXNPFEDSA-N 0 3 370.450 -0.163 20 0 FBADHN NCCS(=O)(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001239082945 846076951 /nfs/dbraw/zinc/07/69/51/846076951.db2.gz OBKJCDXNVJZKRY-HNNXBMFYSA-N 0 3 357.432 -0.125 20 0 FBADHN NCCS(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001239082946 846076390 /nfs/dbraw/zinc/07/63/90/846076390.db2.gz OBKJCDXNVJZKRY-OAHLLOKOSA-N 0 3 357.432 -0.125 20 0 FBADHN NCCS(=O)(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001239083134 846076779 /nfs/dbraw/zinc/07/67/79/846076779.db2.gz XDFSCUDBQGEGIL-UHFFFAOYSA-N 0 3 366.487 -0.259 20 0 FBADHN NCCS(=O)(=O)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001239083202 846076733 /nfs/dbraw/zinc/07/67/33/846076733.db2.gz QFUSENCPOKDNBJ-MELADBBJSA-N 0 3 361.464 -0.444 20 0 FBADHN 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C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1nnc2n1CCC2 ZINC001261657276 846590100 /nfs/dbraw/zinc/59/01/00/846590100.db2.gz XBSBQELNUPZRPG-GFCCVEGCSA-N 0 3 351.455 -0.053 20 0 FBADHN C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1nnc2n1CCC2 ZINC001261657277 846590145 /nfs/dbraw/zinc/59/01/45/846590145.db2.gz XBSBQELNUPZRPG-LBPRGKRZSA-N 0 3 351.455 -0.053 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001261659150 846591072 /nfs/dbraw/zinc/59/10/72/846591072.db2.gz BDIVXJKRBDTMKM-CYBMUJFWSA-N 0 3 353.467 -0.341 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001261659151 846590848 /nfs/dbraw/zinc/59/08/48/846590848.db2.gz BDIVXJKRBDTMKM-ZDUSSCGKSA-N 0 3 353.467 -0.341 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261668337 846592074 /nfs/dbraw/zinc/59/20/74/846592074.db2.gz CDUVUIWAQMTNRR-CYBMUJFWSA-N 0 3 362.496 -0.625 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261668338 846591882 /nfs/dbraw/zinc/59/18/82/846591882.db2.gz CDUVUIWAQMTNRR-ZDUSSCGKSA-N 0 3 362.496 -0.625 20 0 FBADHN CN(CCN1CCCCC1)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001261671731 846592500 /nfs/dbraw/zinc/59/25/00/846592500.db2.gz YCPRXPSUBMJOCG-UHFFFAOYSA-N 0 3 362.496 -0.672 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001261684611 846594653 /nfs/dbraw/zinc/59/46/53/846594653.db2.gz NLEDGCTXOLKWOO-CABCVRRESA-N 0 3 350.463 -0.038 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001261684612 846594990 /nfs/dbraw/zinc/59/49/90/846594990.db2.gz NLEDGCTXOLKWOO-GJZGRUSLSA-N 0 3 350.463 -0.038 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001261684613 846594771 /nfs/dbraw/zinc/59/47/71/846594771.db2.gz NLEDGCTXOLKWOO-HUUCEWRRSA-N 0 3 350.463 -0.038 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001261684614 846595018 /nfs/dbraw/zinc/59/50/18/846595018.db2.gz NLEDGCTXOLKWOO-LSDHHAIUSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@]1(C)CO ZINC001261684868 846594537 /nfs/dbraw/zinc/59/45/37/846594537.db2.gz UTDVHXLEOLZHKV-CRAIPNDOSA-N 0 3 354.495 -0.393 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@]1(C)CO ZINC001261684869 846594752 /nfs/dbraw/zinc/59/47/52/846594752.db2.gz UTDVHXLEOLZHKV-MAUKXSAKSA-N 0 3 354.495 -0.393 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@@]1(C)CO ZINC001261684870 846594977 /nfs/dbraw/zinc/59/49/77/846594977.db2.gz UTDVHXLEOLZHKV-QAPCUYQASA-N 0 3 354.495 -0.393 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@@]1(C)CO ZINC001261684871 846594626 /nfs/dbraw/zinc/59/46/26/846594626.db2.gz UTDVHXLEOLZHKV-YJBOKZPZSA-N 0 3 354.495 -0.393 20 0 FBADHN CN(C)C(=O)CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261689156 846595669 /nfs/dbraw/zinc/59/56/69/846595669.db2.gz GVNXRCIVUBJCDN-AWEZNQCLSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)C(=O)CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261689157 846596108 /nfs/dbraw/zinc/59/61/08/846596108.db2.gz GVNXRCIVUBJCDN-CQSZACIVSA-N 0 3 354.451 -0.660 20 0 FBADHN C[C@@H](CNC(=O)C1(n2cnnn2)CCOCC1)CN1CCN(C)CC1 ZINC001261690278 846595527 /nfs/dbraw/zinc/59/55/27/846595527.db2.gz ILFINQKVCKRZDS-AWEZNQCLSA-N 0 3 351.455 -0.822 20 0 FBADHN C[C@H](CNC(=O)C1(n2cnnn2)CCOCC1)CN1CCN(C)CC1 ZINC001261690279 846595649 /nfs/dbraw/zinc/59/56/49/846595649.db2.gz ILFINQKVCKRZDS-CQSZACIVSA-N 0 3 351.455 -0.822 20 0 FBADHN COC(=O)CCCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261690714 846596012 /nfs/dbraw/zinc/59/60/12/846596012.db2.gz SZKGUHQEXHJCKG-AWEZNQCLSA-N 0 3 355.435 -0.185 20 0 FBADHN COC(=O)CCCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261690715 846595494 /nfs/dbraw/zinc/59/54/94/846595494.db2.gz SZKGUHQEXHJCKG-CQSZACIVSA-N 0 3 355.435 -0.185 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC001261690946 846595601 /nfs/dbraw/zinc/59/56/01/846595601.db2.gz ZVKQHRROQLTTNR-CHWSQXEVSA-N 0 3 360.480 -0.873 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC001261690947 846595769 /nfs/dbraw/zinc/59/57/69/846595769.db2.gz ZVKQHRROQLTTNR-OLZOCXBDSA-N 0 3 360.480 -0.873 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC001261690948 846595934 /nfs/dbraw/zinc/59/59/34/846595934.db2.gz ZVKQHRROQLTTNR-QWHCGFSZSA-N 0 3 360.480 -0.873 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC001261690949 846595844 /nfs/dbraw/zinc/59/58/44/846595844.db2.gz ZVKQHRROQLTTNR-STQMWFEESA-N 0 3 360.480 -0.873 20 0 FBADHN CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1CCN(CC)C1 ZINC001261695923 846598025 /nfs/dbraw/zinc/59/80/25/846598025.db2.gz ABKSQFNSZWFNED-GFCCVEGCSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1CCN(CC)C1 ZINC001261695924 846597601 /nfs/dbraw/zinc/59/76/01/846597601.db2.gz ABKSQFNSZWFNED-LBPRGKRZSA-N 0 3 362.496 -0.627 20 0 FBADHN CN1C[C@@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1=O ZINC001261697029 846597855 /nfs/dbraw/zinc/59/78/55/846597855.db2.gz CRGPMMMUQILDOP-KBPBESRZSA-N 0 3 352.435 -0.907 20 0 FBADHN CN1C[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1=O ZINC001261697030 846597983 /nfs/dbraw/zinc/59/79/83/846597983.db2.gz CRGPMMMUQILDOP-KGLIPLIRSA-N 0 3 352.435 -0.907 20 0 FBADHN CN1C[C@@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1=O ZINC001261697031 846597565 /nfs/dbraw/zinc/59/75/65/846597565.db2.gz CRGPMMMUQILDOP-UONOGXRCSA-N 0 3 352.435 -0.907 20 0 FBADHN CN1C[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1=O ZINC001261697032 846597482 /nfs/dbraw/zinc/59/74/82/846597482.db2.gz CRGPMMMUQILDOP-ZIAGYGMSSA-N 0 3 352.435 -0.907 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC001261702462 846599686 /nfs/dbraw/zinc/59/96/86/846599686.db2.gz CXVGKQFIIBOEMY-HNNXBMFYSA-N 0 3 351.394 -0.047 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC001261702463 846600062 /nfs/dbraw/zinc/60/00/62/846600062.db2.gz CXVGKQFIIBOEMY-OAHLLOKOSA-N 0 3 351.394 -0.047 20 0 FBADHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCN1C ZINC001261704498 846599946 /nfs/dbraw/zinc/59/99/46/846599946.db2.gz WKTNOCMKQFGRLY-GHMZBOCLSA-N 0 3 356.448 -0.204 20 0 FBADHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCN1C ZINC001261704499 846599663 /nfs/dbraw/zinc/59/96/63/846599663.db2.gz WKTNOCMKQFGRLY-MNOVXSKESA-N 0 3 356.448 -0.204 20 0 FBADHN C[C@H]1C[C@@H](N(C)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCN1C ZINC001261704500 846599865 /nfs/dbraw/zinc/59/98/65/846599865.db2.gz WKTNOCMKQFGRLY-QWRGUYRKSA-N 0 3 356.448 -0.204 20 0 FBADHN C[C@H]1C[C@H](N(C)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCN1C ZINC001261704501 846599388 /nfs/dbraw/zinc/59/93/88/846599388.db2.gz WKTNOCMKQFGRLY-WDEREUQCSA-N 0 3 356.448 -0.204 20 0 FBADHN C[S@@](=O)C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1 ZINC001261715184 846602200 /nfs/dbraw/zinc/60/22/00/846602200.db2.gz BKVBOJGTAGTSQH-DLUDVSRJSA-N 0 3 371.503 -0.227 20 0 FBADHN C[S@@](=O)C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1 ZINC001261715185 846601530 /nfs/dbraw/zinc/60/15/30/846601530.db2.gz BKVBOJGTAGTSQH-HWRSSNJWSA-N 0 3 371.503 -0.227 20 0 FBADHN C[S@](=O)C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1 ZINC001261715186 846601643 /nfs/dbraw/zinc/60/16/43/846601643.db2.gz BKVBOJGTAGTSQH-PWECECGKSA-N 0 3 371.503 -0.227 20 0 FBADHN C[S@](=O)C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1 ZINC001261715187 846601558 /nfs/dbraw/zinc/60/15/58/846601558.db2.gz BKVBOJGTAGTSQH-SXBQZSJRSA-N 0 3 371.503 -0.227 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001261727101 846606053 /nfs/dbraw/zinc/60/60/53/846606053.db2.gz LNGIPFUHOFHIQK-KBXCAEBGSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001261727102 846605647 /nfs/dbraw/zinc/60/56/47/846605647.db2.gz LNGIPFUHOFHIQK-KDOFPFPSSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001261727103 846605783 /nfs/dbraw/zinc/60/57/83/846605783.db2.gz LNGIPFUHOFHIQK-KSSFIOAISA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001261727104 846605869 /nfs/dbraw/zinc/60/58/69/846605869.db2.gz LNGIPFUHOFHIQK-RDTXWAMCSA-N 0 3 350.463 -0.038 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCOC[C@@H]2c2noc(C)n2)C1 ZINC001261728036 846607345 /nfs/dbraw/zinc/60/73/45/846607345.db2.gz IQIHAJWHNJCBQL-CHWSQXEVSA-N 0 3 351.407 -0.122 20 0 FBADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCOC[C@H]2c2noc(C)n2)C1 ZINC001261728037 846606847 /nfs/dbraw/zinc/60/68/47/846606847.db2.gz IQIHAJWHNJCBQL-OLZOCXBDSA-N 0 3 351.407 -0.122 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCOC[C@@H]2c2noc(C)n2)C1 ZINC001261728038 846607118 /nfs/dbraw/zinc/60/71/18/846607118.db2.gz IQIHAJWHNJCBQL-QWHCGFSZSA-N 0 3 351.407 -0.122 20 0 FBADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCOC[C@H]2c2noc(C)n2)C1 ZINC001261728039 846607267 /nfs/dbraw/zinc/60/72/67/846607267.db2.gz IQIHAJWHNJCBQL-STQMWFEESA-N 0 3 351.407 -0.122 20 0 FBADHN CCN(CCOCCO)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261729593 846607313 /nfs/dbraw/zinc/60/73/13/846607313.db2.gz FDCZUDOLCVTTAA-HNNXBMFYSA-N 0 3 357.451 -0.787 20 0 FBADHN CCN(CCOCCO)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261729594 846606889 /nfs/dbraw/zinc/60/68/89/846606889.db2.gz FDCZUDOLCVTTAA-OAHLLOKOSA-N 0 3 357.451 -0.787 20 0 FBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC2(C1)OCCO2 ZINC001261729888 846607332 /nfs/dbraw/zinc/60/73/32/846607332.db2.gz MHHSXKZGNWUYNI-AWEZNQCLSA-N 0 3 353.419 -0.669 20 0 FBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC2(C1)OCCO2 ZINC001261729889 846607148 /nfs/dbraw/zinc/60/71/48/846607148.db2.gz MHHSXKZGNWUYNI-CQSZACIVSA-N 0 3 353.419 -0.669 20 0 FBADHN COCCCN(CCO)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261730212 846608114 /nfs/dbraw/zinc/60/81/14/846608114.db2.gz SWCGWQBFRLSAAZ-HNNXBMFYSA-N 0 3 357.451 -0.787 20 0 FBADHN COCCCN(CCO)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261730213 846608093 /nfs/dbraw/zinc/60/80/93/846608093.db2.gz SWCGWQBFRLSAAZ-OAHLLOKOSA-N 0 3 357.451 -0.787 20 0 FBADHN 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846740450 /nfs/dbraw/zinc/74/04/50/846740450.db2.gz OWDWUYAYUVYJTA-HOCLYGCPSA-N 0 3 366.487 -0.051 20 0 FBADHN O=C(NCC[C@@H]1CNCCS1(=O)=O)NC[C@@H]1NCCc2ccccc21 ZINC001262585904 846740322 /nfs/dbraw/zinc/74/03/22/846740322.db2.gz OWDWUYAYUVYJTA-ZBFHGGJFSA-N 0 3 366.487 -0.051 20 0 FBADHN Cc1cccc(N2CCN(CCC(=O)NCCS(N)(=O)=O)CC2)c1 ZINC001262603025 846742774 /nfs/dbraw/zinc/74/27/74/846742774.db2.gz VASXHFKUMOORIJ-UHFFFAOYSA-N 0 3 354.476 -0.088 20 0 FBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001262606952 846742852 /nfs/dbraw/zinc/74/28/52/846742852.db2.gz KPTVHTHTGNMBIU-ARLBYUKCSA-N 0 3 351.447 -0.021 20 0 FBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001262606953 846742643 /nfs/dbraw/zinc/74/26/43/846742643.db2.gz KPTVHTHTGNMBIU-QCEMKRCNSA-N 0 3 351.447 -0.021 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)CN2CCC(CO)CC2)CC1 ZINC001262607944 846742881 /nfs/dbraw/zinc/74/28/81/846742881.db2.gz SCIWUXUZHGZVSV-UHFFFAOYSA-N 0 3 354.495 -0.297 20 0 FBADHN Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)nc(S(C)(=O)=O)n1 ZINC001262683145 846744869 /nfs/dbraw/zinc/74/48/69/846744869.db2.gz YGGVISQXCNBSOV-UHFFFAOYSA-N 0 3 367.475 -0.067 20 0 FBADHN CN1C[C@@H]2CC[C@@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)[C@H]2C1 ZINC001262826523 846747019 /nfs/dbraw/zinc/74/70/19/846747019.db2.gz LSYBOBBBCNJKIM-FPMFFAJLSA-N 0 3 350.444 -0.060 20 0 FBADHN CN1C[C@@H]2CC[C@@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)[C@@H]2C1 ZINC001262826524 846746713 /nfs/dbraw/zinc/74/67/13/846746713.db2.gz LSYBOBBBCNJKIM-IACUBPJLSA-N 0 3 350.444 -0.060 20 0 FBADHN CN1C[C@@H]2CC[C@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)[C@H]2C1 ZINC001262826525 846746886 /nfs/dbraw/zinc/74/68/86/846746886.db2.gz LSYBOBBBCNJKIM-UBHSHLNASA-N 0 3 350.444 -0.060 20 0 FBADHN CN1C[C@@H]2CC[C@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)[C@@H]2C1 ZINC001262826526 846747340 /nfs/dbraw/zinc/74/73/40/846747340.db2.gz LSYBOBBBCNJKIM-YUTCNCBUSA-N 0 3 350.444 -0.060 20 0 FBADHN CCS(=O)(=O)NCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C ZINC001262852352 846746971 /nfs/dbraw/zinc/74/69/71/846746971.db2.gz OAELVVPSZMVVLH-CYBMUJFWSA-N 0 3 372.495 -0.587 20 0 FBADHN CCS(=O)(=O)NCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C ZINC001262852353 846747255 /nfs/dbraw/zinc/74/72/55/846747255.db2.gz OAELVVPSZMVVLH-ZDUSSCGKSA-N 0 3 372.495 -0.587 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CS(C)(=O)=O)n2C)CC1 ZINC001262861083 846748402 /nfs/dbraw/zinc/74/84/02/846748402.db2.gz OGZVBZKICYUURC-GFCCVEGCSA-N 0 3 370.479 -0.898 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CS(C)(=O)=O)n2C)CC1 ZINC001262861084 846748547 /nfs/dbraw/zinc/74/85/47/846748547.db2.gz OGZVBZKICYUURC-LBPRGKRZSA-N 0 3 370.479 -0.898 20 0 FBADHN Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C(=O)NCCO)CC1 ZINC001262882641 846748163 /nfs/dbraw/zinc/74/81/63/846748163.db2.gz PEXLMKCQJGTJNJ-CQSZACIVSA-N 0 3 350.467 -0.051 20 0 FBADHN Cn1c([C@H]2SCCNC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001262908072 846749111 /nfs/dbraw/zinc/74/91/11/846749111.db2.gz HROUZEZXYWLVGY-CHWSQXEVSA-N 0 3 366.491 -0.122 20 0 FBADHN Cn1c([C@@H]2SCCNC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001262908073 846749550 /nfs/dbraw/zinc/74/95/50/846749550.db2.gz HROUZEZXYWLVGY-OLZOCXBDSA-N 0 3 366.491 -0.122 20 0 FBADHN Cn1c([C@H]2SCCNC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001262908074 846749618 /nfs/dbraw/zinc/74/96/18/846749618.db2.gz HROUZEZXYWLVGY-QWHCGFSZSA-N 0 3 366.491 -0.122 20 0 FBADHN Cn1c([C@@H]2SCCNC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001262908075 846749360 /nfs/dbraw/zinc/74/93/60/846749360.db2.gz HROUZEZXYWLVGY-STQMWFEESA-N 0 3 366.491 -0.122 20 0 FBADHN CN1CCNC[C@@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001263083980 846754205 /nfs/dbraw/zinc/75/42/05/846754205.db2.gz GFYZTHKNSKPPAK-LLVKDONJSA-N 0 3 372.413 -0.432 20 0 FBADHN CN1CCNC[C@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001263083981 846754161 /nfs/dbraw/zinc/75/41/61/846754161.db2.gz GFYZTHKNSKPPAK-NSHDSACASA-N 0 3 372.413 -0.432 20 0 FBADHN CN1CCNC[C@@H]1C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC001263088040 846753847 /nfs/dbraw/zinc/75/38/47/846753847.db2.gz YQLJRSXJWZQZEW-GXTWGEPZSA-N 0 3 367.475 -0.038 20 0 FBADHN CN1CCNC[C@H]1C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC001263088041 846753928 /nfs/dbraw/zinc/75/39/28/846753928.db2.gz YQLJRSXJWZQZEW-JSGCOSHPSA-N 0 3 367.475 -0.038 20 0 FBADHN CN1CCNC[C@H]1C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC001263088042 846754024 /nfs/dbraw/zinc/75/40/24/846754024.db2.gz YQLJRSXJWZQZEW-OCCSQVGLSA-N 0 3 367.475 -0.038 20 0 FBADHN CN1CCNC[C@@H]1C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC001263088043 846753697 /nfs/dbraw/zinc/75/36/97/846753697.db2.gz YQLJRSXJWZQZEW-TZMCWYRMSA-N 0 3 367.475 -0.038 20 0 FBADHN CC(C)(O)[C@H](N)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC001263100110 846754776 /nfs/dbraw/zinc/75/47/76/846754776.db2.gz DLEMKJWQPXYJKU-OAHLLOKOSA-N 0 3 354.495 -0.075 20 0 FBADHN CCCNC(=O)[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001263135805 846757642 /nfs/dbraw/zinc/75/76/42/846757642.db2.gz IPMYZMOXIMDTFM-AWEZNQCLSA-N 0 3 353.467 -0.149 20 0 FBADHN CCCNC(=O)[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001263135806 846757298 /nfs/dbraw/zinc/75/72/98/846757298.db2.gz IPMYZMOXIMDTFM-CQSZACIVSA-N 0 3 353.467 -0.149 20 0 FBADHN O=C(CNC[C@@H]1CCCO1)NCCNS(=O)(=O)Cc1ccccc1 ZINC001263140463 846757381 /nfs/dbraw/zinc/75/73/81/846757381.db2.gz WQSIVYJTWZGOQW-HNNXBMFYSA-N 0 3 355.460 -0.009 20 0 FBADHN O=C(CNC[C@H]1CCCO1)NCCNS(=O)(=O)Cc1ccccc1 ZINC001263140464 846757516 /nfs/dbraw/zinc/75/75/16/846757516.db2.gz WQSIVYJTWZGOQW-OAHLLOKOSA-N 0 3 355.460 -0.009 20 0 FBADHN Cn1nc(I)cc1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001263142279 846757358 /nfs/dbraw/zinc/75/73/58/846757358.db2.gz WDAQGIITCGWKLP-SSDOTTSWSA-N 0 3 362.171 -0.115 20 0 FBADHN Cn1nc(I)cc1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001263142280 846757756 /nfs/dbraw/zinc/75/77/56/846757756.db2.gz WDAQGIITCGWKLP-ZETCQYMHSA-N 0 3 362.171 -0.115 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001263144580 846757889 /nfs/dbraw/zinc/75/78/89/846757889.db2.gz PVMLZEFLJGNMRJ-UHFFFAOYSA-N 0 3 368.459 -0.267 20 0 FBADHN O=C(N[C@H]1COC2(CNC2)C1)c1nc2ncc(Br)cn2n1 ZINC001263155974 846757791 /nfs/dbraw/zinc/75/77/91/846757791.db2.gz KCUJJPUYJLFEOE-MRVPVSSYSA-N 0 3 353.180 -0.253 20 0 FBADHN O=C(N[C@@H]1COC2(CNC2)C1)c1nc2ncc(Br)cn2n1 ZINC001263155975 846758812 /nfs/dbraw/zinc/75/88/12/846758812.db2.gz KCUJJPUYJLFEOE-QMMMGPOBSA-N 0 3 353.180 -0.253 20 0 FBADHN CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2COC3(CNC3)C2)cc1 ZINC001263156520 846758947 /nfs/dbraw/zinc/75/89/47/846758947.db2.gz YTKDHSIQFIRHBP-AWEZNQCLSA-N 0 3 353.444 -0.361 20 0 FBADHN CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2COC3(CNC3)C2)cc1 ZINC001263156521 846758529 /nfs/dbraw/zinc/75/85/29/846758529.db2.gz YTKDHSIQFIRHBP-CQSZACIVSA-N 0 3 353.444 -0.361 20 0 FBADHN NCc1nc(CC(=O)N2CCN(C(=O)N3CCNCC3)CC2)cs1 ZINC001263164885 846758771 /nfs/dbraw/zinc/75/87/71/846758771.db2.gz KHKBURQYIKVIFN-UHFFFAOYSA-N 0 3 352.464 -0.686 20 0 FBADHN C[C@@H](N)c1nc(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)cs1 ZINC001263165129 846758789 /nfs/dbraw/zinc/75/87/89/846758789.db2.gz RKMZCSUMMAXSSP-LLVKDONJSA-N 0 3 352.464 -0.054 20 0 FBADHN C[C@H](N)c1nc(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)cs1 ZINC001263165130 846758673 /nfs/dbraw/zinc/75/86/73/846758673.db2.gz RKMZCSUMMAXSSP-NSHDSACASA-N 0 3 352.464 -0.054 20 0 FBADHN O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc2c(s1)CNCC2 ZINC001263174916 846759633 /nfs/dbraw/zinc/75/96/33/846759633.db2.gz NOEDJBWAILASPX-INIZCTEOSA-N 0 3 351.428 -0.249 20 0 FBADHN O=C(NC[C@]12COCCN1C(=O)COC2)c1cc2c(s1)CNCC2 ZINC001263174917 846760203 /nfs/dbraw/zinc/76/02/03/846760203.db2.gz NOEDJBWAILASPX-MRXNPFEDSA-N 0 3 351.428 -0.249 20 0 FBADHN COc1cccc([C@H]2CNCCN2C(=O)C2CNCCS2(=O)=O)c1 ZINC001263182661 846759963 /nfs/dbraw/zinc/75/99/63/846759963.db2.gz VNOMLMQRINNGIV-CABCVRRESA-N 0 3 353.444 -0.445 20 0 FBADHN COc1cccc([C@@H]2CNCCN2C(=O)C2CNCCS2(=O)=O)c1 ZINC001263182662 846759893 /nfs/dbraw/zinc/75/98/93/846759893.db2.gz VNOMLMQRINNGIV-GJZGRUSLSA-N 0 3 353.444 -0.445 20 0 FBADHN COc1cccc([C@H]2CNCCN2C(=O)C2CNCCS2(=O)=O)c1 ZINC001263182663 846760152 /nfs/dbraw/zinc/76/01/52/846760152.db2.gz VNOMLMQRINNGIV-HUUCEWRRSA-N 0 3 353.444 -0.445 20 0 FBADHN COc1cccc([C@@H]2CNCCN2C(=O)C2CNCCS2(=O)=O)c1 ZINC001263182664 846759952 /nfs/dbraw/zinc/75/99/52/846759952.db2.gz VNOMLMQRINNGIV-LSDHHAIUSA-N 0 3 353.444 -0.445 20 0 FBADHN COCCn1c([C@H]2CCCN(C)C2)nnc1N1CCO[C@@H](C(N)=O)C1 ZINC001263210742 846760699 /nfs/dbraw/zinc/76/06/99/846760699.db2.gz UTLSXMCSQALAKF-QWHCGFSZSA-N 0 3 352.439 -0.576 20 0 FBADHN COCCn1c([C@H]2CCCN(C)C2)nnc1N1CCO[C@H](C(N)=O)C1 ZINC001263210743 846761095 /nfs/dbraw/zinc/76/10/95/846761095.db2.gz UTLSXMCSQALAKF-STQMWFEESA-N 0 3 352.439 -0.576 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)CNCCO2 ZINC001263223341 846762285 /nfs/dbraw/zinc/76/22/85/846762285.db2.gz FKJZDCMEBXSQRF-AWEZNQCLSA-N 0 3 352.435 -0.906 20 0 FBADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC2(CC1)CNCCO2 ZINC001263223342 846762218 /nfs/dbraw/zinc/76/22/18/846762218.db2.gz FKJZDCMEBXSQRF-CQSZACIVSA-N 0 3 352.435 -0.906 20 0 FBADHN COCCn1c(C2=NO[C@@H](CO)C2)nnc1N1CCN(C2CC2)CC1 ZINC001263226408 846762202 /nfs/dbraw/zinc/76/22/02/846762202.db2.gz UEWDKSQVJWRLBR-CYBMUJFWSA-N 0 3 350.423 -0.306 20 0 FBADHN COCCn1c(C2=NO[C@H](CO)C2)nnc1N1CCN(C2CC2)CC1 ZINC001263226409 846762357 /nfs/dbraw/zinc/76/23/57/846762357.db2.gz UEWDKSQVJWRLBR-ZDUSSCGKSA-N 0 3 350.423 -0.306 20 0 FBADHN CO[C@@H](CN)C(=O)N1CCn2ncc(I)c2C1 ZINC001263230498 846762343 /nfs/dbraw/zinc/76/23/43/846762343.db2.gz DNMONBQWZWJTNT-VIFPVBQESA-N 0 3 350.160 -0.196 20 0 FBADHN COCCn1c([C@@H]2CCCN(C)C2)nnc1N1CCO[C@@H](C(N)=O)C1 ZINC001263234332 846762019 /nfs/dbraw/zinc/76/20/19/846762019.db2.gz UTLSXMCSQALAKF-CHWSQXEVSA-N 0 3 352.439 -0.576 20 0 FBADHN COCCn1c([C@@H]2CCCN(C)C2)nnc1N1CCO[C@H](C(N)=O)C1 ZINC001263234333 846762041 /nfs/dbraw/zinc/76/20/41/846762041.db2.gz UTLSXMCSQALAKF-OLZOCXBDSA-N 0 3 352.439 -0.576 20 0 FBADHN CN(Cc1nnc(N2CCN(C3CCCC3)CC2)n1C)S(N)(=O)=O ZINC001263493983 846766418 /nfs/dbraw/zinc/76/64/18/846766418.db2.gz SXGCMNCMUPGMHU-UHFFFAOYSA-N 0 3 357.484 -0.485 20 0 FBADHN COCCN1CCC(OC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001263540250 846767208 /nfs/dbraw/zinc/76/72/08/846767208.db2.gz UPJJROINJWSMOU-UHFFFAOYSA-N 0 3 372.447 -0.215 20 0 FBADHN CN(CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C)S(N)(=O)=O ZINC001263564616 846766916 /nfs/dbraw/zinc/76/69/16/846766916.db2.gz BTKHQKZWFJJDAD-UHFFFAOYSA-N 0 3 359.500 -0.587 20 0 FBADHN CN1CCN(CCCNC(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 ZINC001263702686 846768517 /nfs/dbraw/zinc/76/85/17/846768517.db2.gz WFCCAOJVRFBFGL-UHFFFAOYSA-N 0 3 358.508 -0.302 20 0 FBADHN COCCN1CCC(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 ZINC001263712477 846769107 /nfs/dbraw/zinc/76/91/07/846769107.db2.gz FPZBYLJTQYSQTA-UHFFFAOYSA-N 0 3 371.463 -0.642 20 0 FBADHN COC1CCN(CCNC(=O)NCCN2CCC3(C2)OCCO3)CC1 ZINC001263749302 846771076 /nfs/dbraw/zinc/77/10/76/846771076.db2.gz XVNHAMWWOFHMEB-UHFFFAOYSA-N 0 3 356.467 -0.155 20 0 FBADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773455 846772470 /nfs/dbraw/zinc/77/24/70/846772470.db2.gz VEVPTUCHJUILSU-CVEARBPZSA-N 0 3 352.479 -0.940 20 0 FBADHN C[C@H]1CN2CCN1C[C@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773456 846772425 /nfs/dbraw/zinc/77/24/25/846772425.db2.gz VEVPTUCHJUILSU-HOTGVXAUSA-N 0 3 352.479 -0.940 20 0 FBADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773457 846772637 /nfs/dbraw/zinc/77/26/37/846772637.db2.gz VEVPTUCHJUILSU-HZPDHXFCSA-N 0 3 352.479 -0.940 20 0 FBADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773458 846772200 /nfs/dbraw/zinc/77/22/00/846772200.db2.gz VEVPTUCHJUILSU-JKSUJKDBSA-N 0 3 352.479 -0.940 20 0 FBADHN CN1CCC(N(CCO)C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 ZINC001263856932 846775419 /nfs/dbraw/zinc/77/54/19/846775419.db2.gz ASSYFRDOCNPPON-UHFFFAOYSA-N 0 3 371.463 -0.954 20 0 FBADHN CN1CCC(N(CCO)C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 ZINC001263857449 846775210 /nfs/dbraw/zinc/77/52/10/846775210.db2.gz HBAGNVZSSHJLAF-UHFFFAOYSA-N 0 3 359.492 -0.140 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCC(=O)Nc2nccs2)C1 ZINC001263872765 846776539 /nfs/dbraw/zinc/77/65/39/846776539.db2.gz WKSJQXUZMWYDPH-DBIOUOCHSA-N 0 3 351.432 -0.313 20 0 FBADHN COCCN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)CC1=O ZINC001263881778 846776640 /nfs/dbraw/zinc/77/66/40/846776640.db2.gz UIMHJLZQRCBBMB-BMFZPTHFSA-N 0 3 353.463 -0.025 20 0 FBADHN COCCN1C[C@H](C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)CC1=O ZINC001263881779 846776679 /nfs/dbraw/zinc/77/66/79/846776679.db2.gz UIMHJLZQRCBBMB-FVQBIDKESA-N 0 3 353.463 -0.025 20 0 FBADHN COCCN1C[C@H](C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)CC1=O ZINC001263881780 846776476 /nfs/dbraw/zinc/77/64/76/846776476.db2.gz UIMHJLZQRCBBMB-KBMXLJTQSA-N 0 3 353.463 -0.025 20 0 FBADHN COCCN1C[C@H](C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)CC1=O ZINC001263881781 846776251 /nfs/dbraw/zinc/77/62/51/846776251.db2.gz UIMHJLZQRCBBMB-VNQPRFMTSA-N 0 3 353.463 -0.025 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC001263884392 846776015 /nfs/dbraw/zinc/77/60/15/846776015.db2.gz NSYFNCGJRSIRKY-LSDHHAIUSA-N 0 3 355.460 -0.498 20 0 FBADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC001263885790 846775914 /nfs/dbraw/zinc/77/59/14/846775914.db2.gz LYCFMQLBEQLWRI-LSDHHAIUSA-N 0 3 355.460 -0.368 20 0 FBADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001263891208 846776556 /nfs/dbraw/zinc/77/65/56/846776556.db2.gz UFDLFABPODKTOX-QWHCGFSZSA-N 0 3 351.407 -0.034 20 0 FBADHN CCS(=O)(=O)NCC(=O)NC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC001263903371 846777611 /nfs/dbraw/zinc/77/76/11/846777611.db2.gz TXLKMMSJKCAHIE-QWHCGFSZSA-N 0 3 357.480 -0.266 20 0 FBADHN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001263905218 846778905 /nfs/dbraw/zinc/77/89/05/846778905.db2.gz QHVVYTAUENOXJC-NGZCFLSTSA-N 0 3 352.420 -0.489 20 0 FBADHN CS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001263906335 846778517 /nfs/dbraw/zinc/77/85/17/846778517.db2.gz GNNHUULZWZWAJK-WDEREUQCSA-N 0 3 357.436 -0.781 20 0 FBADHN CNS(=O)(=O)NCC(=O)NC[C@H]1CC[C@@H](NCc2ocnc2C)C1 ZINC001263912053 846779971 /nfs/dbraw/zinc/77/99/71/846779971.db2.gz APLXBKCASGBVTI-NWDGAFQWSA-N 0 3 359.452 -0.589 20 0 FBADHN Cc1nn(C)c(C)c1NC(=O)CN[C@@H]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001263917748 846780170 /nfs/dbraw/zinc/78/01/70/846780170.db2.gz GCOQTYDZIRURQY-NWDGAFQWSA-N 0 3 350.423 -0.665 20 0 FBADHN NC(=O)C(=O)NC[C@H]1CC[C@@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC001263918256 846780105 /nfs/dbraw/zinc/78/01/05/846780105.db2.gz WJXMDLNPHBDSFW-QWHCGFSZSA-N 0 3 353.444 -0.180 20 0 FBADHN O=C(CN1CCC(=O)NC1=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001263925219 846781219 /nfs/dbraw/zinc/78/12/19/846781219.db2.gz ZJNMYIVPBYYYJZ-WDEREUQCSA-N 0 3 366.447 -0.146 20 0 FBADHN O=C(CN1C(=O)CNC1=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001263928989 846781826 /nfs/dbraw/zinc/78/18/26/846781826.db2.gz NEXTXGDUKKRIMT-VHSXEESVSA-N 0 3 352.420 -0.536 20 0 FBADHN CCn1ccc(CN[C@@H]2CC[C@H](CNC(=O)CS(=O)(=O)NC)C2)n1 ZINC001263932193 846782133 /nfs/dbraw/zinc/78/21/33/846782133.db2.gz XWAMAUPHMCZVSF-QWHCGFSZSA-N 0 3 357.480 -0.173 20 0 FBADHN C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC001263933044 846781805 /nfs/dbraw/zinc/78/18/05/846781805.db2.gz JZSHCFIEVWQELQ-FRRDWIJNSA-N 0 3 357.480 -0.130 20 0 FBADHN C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC001263933045 846781744 /nfs/dbraw/zinc/78/17/44/846781744.db2.gz JZSHCFIEVWQELQ-RWMBFGLXSA-N 0 3 357.480 -0.130 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2NC/C=C\Cl)cn1 ZINC001263938161 846783022 /nfs/dbraw/zinc/78/30/22/846783022.db2.gz HHBSTEPSPLBYPT-GPRRCUJPSA-N 0 3 350.814 -0.257 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2NC/C=C/Cl)cn1 ZINC001263938162 846783186 /nfs/dbraw/zinc/78/31/86/846783186.db2.gz HHBSTEPSPLBYPT-OUDYMMNNSA-N 0 3 350.814 -0.257 20 0 FBADHN COCCN[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1c1cnn(C)c1 ZINC001263941526 846783149 /nfs/dbraw/zinc/78/31/49/846783149.db2.gz YXMJYHZXRQUZJE-LSDHHAIUSA-N 0 3 370.475 -0.615 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2NC/C=C/Cl)cn1 ZINC001263942185 846783258 /nfs/dbraw/zinc/78/32/58/846783258.db2.gz HIMFPXSZGFHQON-APGKFWSWSA-N 0 3 352.826 -0.262 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2NC/C=C\Cl)cn1 ZINC001263942186 846783046 /nfs/dbraw/zinc/78/30/46/846783046.db2.gz HIMFPXSZGFHQON-IJIIVYBTSA-N 0 3 352.826 -0.262 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2NC/C=C/Cl)cn1 ZINC001263942187 846783038 /nfs/dbraw/zinc/78/30/38/846783038.db2.gz HIMFPXSZGFHQON-NLMCREIYSA-N 0 3 352.826 -0.262 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2NC/C=C\Cl)cn1 ZINC001263942188 846783007 /nfs/dbraw/zinc/78/30/07/846783007.db2.gz HIMFPXSZGFHQON-QMEKQCQASA-N 0 3 352.826 -0.262 20 0 FBADHN CCN1CCN(C2CN(C(=O)c3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC001263951132 846784573 /nfs/dbraw/zinc/78/45/73/846784573.db2.gz UEGARZZCPMBPBD-UHFFFAOYSA-N 0 3 358.489 -0.143 20 0 FBADHN CCO[C@@H]1CN(C(=O)COC)C[C@H]1CNCC(=O)Nc1nnc(C)s1 ZINC001263960821 846784196 /nfs/dbraw/zinc/78/41/96/846784196.db2.gz MBYCVJKCOJYLEL-VXGBXAGGSA-N 0 3 371.463 -0.115 20 0 FBADHN CCO[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1CNCc1ccn(CC)n1 ZINC001263961077 846784508 /nfs/dbraw/zinc/78/45/08/846784508.db2.gz RJZIOUMOBIRDTA-GDBMZVCRSA-N 0 3 351.451 -0.008 20 0 FBADHN CCO[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1CNCc1cnns1 ZINC001263962059 846785579 /nfs/dbraw/zinc/78/55/79/846785579.db2.gz JILQMNCCLZVPNB-TZMCWYRMSA-N 0 3 355.464 -0.031 20 0 FBADHN CCO[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1CNCc1nccn1C ZINC001263965395 846785453 /nfs/dbraw/zinc/78/54/53/846785453.db2.gz LUIJCUNUQHVRNE-YNEHKIRRSA-N 0 3 352.439 -0.570 20 0 FBADHN CCO[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001263965440 846785637 /nfs/dbraw/zinc/78/56/37/846785637.db2.gz MRCAKSZLMKJEED-OUCADQQQSA-N 0 3 352.439 -0.570 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)NCC(C)C ZINC001263969124 846786320 /nfs/dbraw/zinc/78/63/20/846786320.db2.gz DZCLXBHCVDJSCJ-TZMCWYRMSA-N 0 3 352.439 -0.356 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[n-]2)C[C@H]1C[NH2+]CC(N)=O ZINC001263973397 846787763 /nfs/dbraw/zinc/78/77/63/846787763.db2.gz YLGDNANUAXCLQZ-PSASIEDQSA-N 0 3 363.340 -0.020 20 0 FBADHN CCO[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C[NH2+]CCO ZINC001263975592 846788351 /nfs/dbraw/zinc/78/83/51/846788351.db2.gz ITDSZNOSPMUQIV-UKRRQHHQSA-N 0 3 352.435 -0.213 20 0 FBADHN CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CNC(C)=O ZINC001263977468 846788294 /nfs/dbraw/zinc/78/82/94/846788294.db2.gz AFXYSZYUIUXDRE-YPMHNXCESA-N 0 3 355.439 -0.815 20 0 FBADHN C[C@@H]1CCN(C(=O)CCn2cncn2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001263979020 846788321 /nfs/dbraw/zinc/78/83/21/846788321.db2.gz CVSLINJHGCWNNO-NEPJUHHUSA-N 0 3 351.411 -0.920 20 0 FBADHN CO[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001263981076 846789077 /nfs/dbraw/zinc/78/90/77/846789077.db2.gz RORGWBCRMLHJMK-MCIONIFRSA-N 0 3 354.451 -0.804 20 0 FBADHN CO[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001263981077 846789093 /nfs/dbraw/zinc/78/90/93/846789093.db2.gz RORGWBCRMLHJMK-RDBSUJKOSA-N 0 3 354.451 -0.804 20 0 FBADHN C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001263981273 846788731 /nfs/dbraw/zinc/78/87/31/846788731.db2.gz YGRGKRLJRDGFCT-UTUOFQBUSA-N 0 3 350.423 -0.166 20 0 FBADHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001263981274 846788233 /nfs/dbraw/zinc/78/82/33/846788233.db2.gz YGRGKRLJRDGFCT-WOPDTQHZSA-N 0 3 350.423 -0.166 20 0 FBADHN C[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](CNCC(=O)NCC2CC2)C1 ZINC001263981327 846790199 /nfs/dbraw/zinc/79/01/99/846790199.db2.gz ZXQHGEGYJBDHFO-OCCSQVGLSA-N 0 3 359.492 -0.226 20 0 FBADHN Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2CNCCS(C)(=O)=O)nnn1C ZINC001263983969 846789509 /nfs/dbraw/zinc/78/95/09/846789509.db2.gz HANZYHBGYOVDJX-YPMHNXCESA-N 0 3 357.480 -0.002 20 0 FBADHN C[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H](CNCCS(C)(=O)=O)C1 ZINC001263986747 846789568 /nfs/dbraw/zinc/78/95/68/846789568.db2.gz QSHGQZMAGGNIKZ-KGLIPLIRSA-N 0 3 357.480 -0.071 20 0 FBADHN CCn1nncc1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O ZINC001263988338 846789914 /nfs/dbraw/zinc/78/99/14/846789914.db2.gz MSQSNSVPDNLFBM-MNOVXSKESA-N 0 3 351.411 -0.677 20 0 FBADHN CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cn(CCOC)nn1 ZINC001263988643 846789534 /nfs/dbraw/zinc/78/95/34/846789534.db2.gz YHJPQLYDDRRISN-OLZOCXBDSA-N 0 3 352.439 -0.499 20 0 FBADHN CC(C)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001263989725 846790320 /nfs/dbraw/zinc/79/03/20/846790320.db2.gz HEOIWRAOXMGNFL-OCCSQVGLSA-N 0 3 359.492 -0.228 20 0 FBADHN C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](CNCC(=O)NC(C)(C)C)C1 ZINC001263989938 846790254 /nfs/dbraw/zinc/79/02/54/846790254.db2.gz PCJJWEIMDCRBSD-OLZOCXBDSA-N 0 3 351.455 -0.196 20 0 FBADHN CC(C)CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cn1ncnn1 ZINC001263990171 846790214 /nfs/dbraw/zinc/79/02/14/846790214.db2.gz YCBVUYSKSXDRFV-KGLIPLIRSA-N 0 3 351.455 -0.338 20 0 FBADHN CCS(=O)(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N(C)C ZINC001263991636 846789751 /nfs/dbraw/zinc/78/97/51/846789751.db2.gz KBCNGMOGAKAXJT-OLZOCXBDSA-N 0 3 362.496 -0.769 20 0 FBADHN C[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001263991972 846790005 /nfs/dbraw/zinc/79/00/05/846790005.db2.gz XEJMIVLHBWGIKF-SNPRPXQTSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001263991973 846790343 /nfs/dbraw/zinc/79/03/43/846790343.db2.gz XEJMIVLHBWGIKF-VHDGCEQUSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC1CC1)S(C)(=O)=O ZINC001263993643 846789972 /nfs/dbraw/zinc/78/99/72/846789972.db2.gz MVNUOKYAIKTBTQ-BZPMIXESSA-N 0 3 359.492 -0.085 20 0 FBADHN C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC1CC1)S(C)(=O)=O ZINC001263993644 846790417 /nfs/dbraw/zinc/79/04/17/846790417.db2.gz MVNUOKYAIKTBTQ-DYEKYZERSA-N 0 3 359.492 -0.085 20 0 FBADHN CC(C)(CN1CCOCC1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001263994018 846790475 /nfs/dbraw/zinc/79/04/75/846790475.db2.gz BTIVWVMLIDSSQK-MAUKXSAKSA-N 0 3 355.479 -0.313 20 0 FBADHN CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CCCS1(=O)=O ZINC001263997689 846791343 /nfs/dbraw/zinc/79/13/43/846791343.db2.gz AFBJXNDMUPJCDX-HZSPNIEDSA-N 0 3 359.492 -0.084 20 0 FBADHN CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CCCS1(=O)=O ZINC001263997690 846791459 /nfs/dbraw/zinc/79/14/59/846791459.db2.gz AFBJXNDMUPJCDX-RDBSUJKOSA-N 0 3 359.492 -0.084 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1n[nH]nc1C ZINC001263997827 846791122 /nfs/dbraw/zinc/79/11/22/846791122.db2.gz HBJVKTTTYHUJMY-KOLCDFICSA-N 0 3 351.411 -0.601 20 0 FBADHN COc1nc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NC(N)=O)co1 ZINC001263997970 846791445 /nfs/dbraw/zinc/79/14/45/846791445.db2.gz LIZGEVFPMDJKGA-ZJUUUORDSA-N 0 3 353.379 -0.292 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1csnn1 ZINC001263998117 846791261 /nfs/dbraw/zinc/79/12/61/846791261.db2.gz QVSZJZRVQHXSJH-ZJUUUORDSA-N 0 3 354.436 -0.176 20 0 FBADHN C[C@@H]1CCN(C(=O)CCCF)[C@H](CNCC(=O)N2CCNC(=O)C2)C1 ZINC001263999268 846791563 /nfs/dbraw/zinc/79/15/63/846791563.db2.gz AAVFCLDEZHNPFP-KGLIPLIRSA-N 0 3 356.442 -0.089 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001263999395 846791505 /nfs/dbraw/zinc/79/15/05/846791505.db2.gz FHGZFJHPDNYGRF-KWCYVHTRSA-N 0 3 351.451 -0.495 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001263999396 846791063 /nfs/dbraw/zinc/79/10/63/846791063.db2.gz FHGZFJHPDNYGRF-XBFCOCLRSA-N 0 3 351.451 -0.495 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H](CNCCS(C)(=O)=O)C1 ZINC001263999679 846791224 /nfs/dbraw/zinc/79/12/24/846791224.db2.gz ORWQKIGRXLHBPA-HZSPNIEDSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H](CNCCS(C)(=O)=O)C1 ZINC001263999680 846791376 /nfs/dbraw/zinc/79/13/76/846791376.db2.gz ORWQKIGRXLHBPA-RDBSUJKOSA-N 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C[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001264001987 846791321 /nfs/dbraw/zinc/79/13/21/846791321.db2.gz PUVYHHMFZUBZNW-PWSUYJOCSA-N 0 3 370.841 -0.052 20 0 FBADHN C[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)o2)[C@H](CNCC(N)=O)C1 ZINC001264004153 846791163 /nfs/dbraw/zinc/79/11/63/846791163.db2.gz MSFNQACXJXUFGG-MNOVXSKESA-N 0 3 357.432 -0.001 20 0 FBADHN CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1nc[n-]n1 ZINC001264004415 846791550 /nfs/dbraw/zinc/79/15/50/846791550.db2.gz XONHTFZDNUVSJT-MNOVXSKESA-N 0 3 351.411 -0.519 20 0 FBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H](C)C[C@H]1CNCCF ZINC001264005365 846791249 /nfs/dbraw/zinc/79/12/49/846791249.db2.gz TXYXNVUAOXMXSP-UPJWGTAASA-N 0 3 355.418 -0.636 20 0 FBADHN C[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@H](CNCC(N)=O)C1 ZINC001264007061 846791086 /nfs/dbraw/zinc/79/10/86/846791086.db2.gz WUZKQNIXOXMHKM-KGLIPLIRSA-N 0 3 354.451 -0.673 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(C)n1 ZINC001264008454 846792070 /nfs/dbraw/zinc/79/20/70/846792070.db2.gz PXRYJJGEDCDYFF-NEPJUHHUSA-N 0 3 350.423 -0.294 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncn1C ZINC001264008554 846792092 /nfs/dbraw/zinc/79/20/92/846792092.db2.gz UAQLJMMGTYNRFV-OLZOCXBDSA-N 0 3 357.480 -0.314 20 0 FBADHN C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001264008660 846792580 /nfs/dbraw/zinc/79/25/80/846792580.db2.gz YELDHMGQHAGURY-BZPMIXESSA-N 0 3 353.467 -0.071 20 0 FBADHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001264008661 846792677 /nfs/dbraw/zinc/79/26/77/846792677.db2.gz YELDHMGQHAGURY-DYEKYZERSA-N 0 3 353.467 -0.071 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1nonc1C ZINC001264009845 846792521 /nfs/dbraw/zinc/79/25/21/846792521.db2.gz BSSMLJPYUHHWTH-KOLCDFICSA-N 0 3 352.395 -0.336 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)CCNC(=O)NC)CCN1CCN1CCCC1=O ZINC001264051571 846793555 /nfs/dbraw/zinc/79/35/55/846793555.db2.gz HXQUFJYYGNQULN-UONOGXRCSA-N 0 3 353.467 -0.103 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1CCOC[C@H]1CCCO1 ZINC001264053275 846793683 /nfs/dbraw/zinc/79/36/83/846793683.db2.gz PWOKHADCKQFSLW-QLFBSQMISA-N 0 3 352.439 -0.162 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1CCOC[C@@H]1CCCO1 ZINC001264053276 846794472 /nfs/dbraw/zinc/79/44/72/846794472.db2.gz PWOKHADCKQFSLW-SOUVJXGZSA-N 0 3 352.439 -0.162 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCN1CCn1cncn1 ZINC001264054181 846793904 /nfs/dbraw/zinc/79/39/04/846793904.db2.gz CRGBEPVBSMUMOT-QWHCGFSZSA-N 0 3 358.468 -0.814 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)CN(C)C(=O)COC)CCN1CCn1cncn1 ZINC001264054455 846794515 /nfs/dbraw/zinc/79/45/15/846794515.db2.gz OOJLSBJBFANEFI-UONOGXRCSA-N 0 3 352.439 -0.648 20 0 FBADHN CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@H]1CC ZINC001264063544 846795911 /nfs/dbraw/zinc/79/59/11/846795911.db2.gz BOSYRFYGKPHEMQ-QWHCGFSZSA-N 0 3 350.423 -0.233 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCN1C[C@@H](C)CS(C)(=O)=O ZINC001264067622 846797969 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350.463 -0.196 20 0 FBADHN Cc1nn[nH]c1C(=O)N1C[C@H]2CCN(CCNS(C)(=O)=O)C[C@H]2C1 ZINC001264093231 846800346 /nfs/dbraw/zinc/80/03/46/846800346.db2.gz NZIKNFHKNOMKEM-NEPJUHHUSA-N 0 3 356.452 -0.944 20 0 FBADHN CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001264099697 846802655 /nfs/dbraw/zinc/80/26/55/846802655.db2.gz LVFUXICEVRGJFW-KGLIPLIRSA-N 0 3 350.467 -0.270 20 0 FBADHN CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001264099697 846802649 /nfs/dbraw/zinc/80/26/49/846802649.db2.gz LVFUXICEVRGJFW-KGLIPLIRSA-N 0 3 350.467 -0.270 20 0 FBADHN CNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001264101000 846801636 /nfs/dbraw/zinc/80/16/36/846801636.db2.gz PSFLGNGRGKDGPW-KGLIPLIRSA-N 0 3 353.467 -0.438 20 0 FBADHN COC(=O)NCC(=O)N[C@H]1CCN(C[C@@H](O)COCC(F)(F)F)[C@@H]1C ZINC001264132907 846803833 /nfs/dbraw/zinc/80/38/33/846803833.db2.gz HBOWSGWVLPUKGU-MXWKQRLJSA-N 0 3 371.356 -0.139 20 0 FBADHN 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/nfs/dbraw/zinc/80/59/55/846805955.db2.gz AWYJGRJKWQVROT-KFWWJZLASA-N 0 3 354.451 -0.055 20 0 FBADHN CNC(=O)NCC(=O)N[C@H]1CCN(C[C@@H](O)COCC(F)(F)F)[C@@H]1C ZINC001264144100 846804899 /nfs/dbraw/zinc/80/48/99/846804899.db2.gz CAKYJHYMCHSYJT-MXWKQRLJSA-N 0 3 370.372 -0.566 20 0 FBADHN CNC(=O)NCC(=O)N[C@H]1CCN(C[C@H](O)COCC(F)(F)F)[C@@H]1C ZINC001264144101 846805090 /nfs/dbraw/zinc/80/50/90/846805090.db2.gz CAKYJHYMCHSYJT-VWYCJHECSA-N 0 3 370.372 -0.566 20 0 FBADHN COC[C@H](O)CN1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H]1C ZINC001264144579 846805069 /nfs/dbraw/zinc/80/50/69/846805069.db2.gz NOCJJTRVGGZQIP-MCIONIFRSA-N 0 3 355.435 -0.498 20 0 FBADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H]1C ZINC001264144581 846805375 /nfs/dbraw/zinc/80/53/75/846805375.db2.gz NOCJJTRVGGZQIP-RDBSUJKOSA-N 0 3 355.435 -0.498 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCN1Cc1ccn(C)c(=O)c1 ZINC001264144791 846807697 /nfs/dbraw/zinc/80/76/97/846807697.db2.gz VYQNGBMHDOUCQI-OCCSQVGLSA-N 0 3 370.475 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ZINC001264166684 846812483 /nfs/dbraw/zinc/81/24/83/846812483.db2.gz ILDOUHXIRSZDNA-OCCSQVGLSA-N 0 3 352.435 -0.066 20 0 FBADHN COCCOCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC001264167001 846812183 /nfs/dbraw/zinc/81/21/83/846812183.db2.gz MTQFMPNUYBYAMP-OLZOCXBDSA-N 0 3 356.423 -0.830 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCN1CCOCC1CC1 ZINC001264171626 846814050 /nfs/dbraw/zinc/81/40/50/846814050.db2.gz CHMCSPXJVIWIFA-OCCSQVGLSA-N 0 3 352.435 -0.114 20 0 FBADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CCC(=O)N2CCOCC2)[C@H]1C ZINC001264172129 846813771 /nfs/dbraw/zinc/81/37/71/846813771.db2.gz QMSUIDISQBRHTK-ILXRZTDVSA-N 0 3 357.451 -0.788 20 0 FBADHN COC[C@@H](O)CN1CC[C@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@H]1C ZINC001264173857 846813996 /nfs/dbraw/zinc/81/39/96/846813996.db2.gz IIOWUKUSTAQVAJ-XBFCOCLRSA-N 0 3 351.451 -0.179 20 0 FBADHN COc1ccc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2NCCOCCO)cc1 ZINC001264208231 846815033 /nfs/dbraw/zinc/81/50/33/846815033.db2.gz QASGROSUWBMEPY-LSDHHAIUSA-N 0 3 351.403 -0.927 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001264292158 846815021 /nfs/dbraw/zinc/81/50/21/846815021.db2.gz GVRYWXOXOJSGLB-FRRDWIJNSA-N 0 3 353.467 -0.343 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001264292159 846815226 /nfs/dbraw/zinc/81/52/26/846815226.db2.gz GVRYWXOXOJSGLB-JHJVBQTASA-N 0 3 353.467 -0.343 20 0 FBADHN CC(C)N(CC(F)(F)F)C(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001264292985 846815074 /nfs/dbraw/zinc/81/50/74/846815074.db2.gz CEWPQRZXKYAYNB-NXEZZACHSA-N 0 3 352.357 -0.293 20 0 FBADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N(C)Cc1ccc(F)cc1 ZINC001264292990 846815083 /nfs/dbraw/zinc/81/50/83/846815083.db2.gz DBBZQPRNUQBWPA-BXUZGUMPSA-N 0 3 350.394 -0.294 20 0 FBADHN C[C@@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NCc1ccccc1F ZINC001264293009 846815243 /nfs/dbraw/zinc/81/52/43/846815243.db2.gz LVDUPMYAINKSJX-JTNHKYCSSA-N 0 3 350.394 -0.248 20 0 FBADHN 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/nfs/dbraw/zinc/81/65/33/846816533.db2.gz AMDMIDHXCJNEES-VXGBXAGGSA-N 0 3 355.439 -0.815 20 0 FBADHN C[C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1NCC(=O)NC(N)=O ZINC001264298624 846816124 /nfs/dbraw/zinc/81/61/24/846816124.db2.gz NWBYCKNODVPXRS-DGCLKSJQSA-N 0 3 352.435 -0.175 20 0 FBADHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001264342410 846816107 /nfs/dbraw/zinc/81/61/07/846816107.db2.gz HKJXBZDCUFPUAW-MGPQQGTHSA-N 0 3 354.451 -0.565 20 0 FBADHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001264342415 846816450 /nfs/dbraw/zinc/81/64/50/846816450.db2.gz JRKSURIJXGBRFY-MGPQQGTHSA-N 0 3 354.451 -0.565 20 0 FBADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001264357845 846815967 /nfs/dbraw/zinc/81/59/67/846815967.db2.gz GBYYJVADOOHMCN-IACUBPJLSA-N 0 3 359.492 -0.037 20 0 FBADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001264357846 846816330 /nfs/dbraw/zinc/81/63/30/846816330.db2.gz GBYYJVADOOHMCN-MRVWCRGKSA-N 0 3 359.492 -0.037 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ZINC001264451842 846819042 /nfs/dbraw/zinc/81/90/42/846819042.db2.gz RWSGPGBJLJVBQQ-XQQFMLRXSA-N 0 3 352.391 -0.097 20 0 FBADHN O=C(CN[C@@H]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1)Nc1ccon1 ZINC001264451843 846819056 /nfs/dbraw/zinc/81/90/56/846819056.db2.gz RWSGPGBJLJVBQQ-YNEHKIRRSA-N 0 3 352.391 -0.097 20 0 FBADHN COc1nccc(CN[C@@H]2CC[C@H](CNC(=O)CS(C)(=O)=O)C2)n1 ZINC001264452943 846818854 /nfs/dbraw/zinc/81/88/54/846818854.db2.gz GTSJCVOECDYVND-NWDGAFQWSA-N 0 3 356.448 -0.096 20 0 FBADHN O=C(CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1)Nc1nncs1 ZINC001264454938 846819075 /nfs/dbraw/zinc/81/90/75/846819075.db2.gz QIXUTUHEVFEVMW-HBNTYKKESA-N 0 3 366.447 -0.370 20 0 FBADHN COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H](C)NC(N)=O)C2)nn1 ZINC001264459330 846819013 /nfs/dbraw/zinc/81/90/13/846819013.db2.gz ZCJPIZZSRSWIOC-SDDRHHMPSA-N 0 3 350.423 -0.084 20 0 FBADHN CCS(=O)(=O)NCC(=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001264463851 846819527 /nfs/dbraw/zinc/81/95/27/846819527.db2.gz BTORNPIWGQHISV-WDEREUQCSA-N 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846823559 /nfs/dbraw/zinc/82/35/59/846823559.db2.gz OIEHTOLBYRUXSK-LSDHHAIUSA-N 0 3 371.507 -0.149 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2NC/C=C\Cl)cn1 ZINC001264500026 846823529 /nfs/dbraw/zinc/82/35/29/846823529.db2.gz OEXPVBLARZPGHJ-GPRRCUJPSA-N 0 3 350.814 -0.257 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2NC/C=C/Cl)cn1 ZINC001264500027 846823619 /nfs/dbraw/zinc/82/36/19/846823619.db2.gz OEXPVBLARZPGHJ-OUDYMMNNSA-N 0 3 350.814 -0.257 20 0 FBADHN CCO[C@@H]1CN(C(=O)COC)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001264520295 846824627 /nfs/dbraw/zinc/82/46/27/846824627.db2.gz JKTIMPCUPDXEPE-GHMZBOCLSA-N 0 3 357.436 -0.424 20 0 FBADHN CCO[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1CNCc1nccn1C ZINC001264523917 846824600 /nfs/dbraw/zinc/82/46/00/846824600.db2.gz DPZPVGUWVIYGGG-HUUCEWRRSA-N 0 3 351.451 -0.149 20 0 FBADHN CCO[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1CNCc1cnns1 ZINC001264524204 846825709 /nfs/dbraw/zinc/82/57/09/846825709.db2.gz OHFZWJLQWDAALW-ZYHUDNBSSA-N 0 3 357.436 -0.153 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)N(C)C(C)C ZINC001264529254 846826233 /nfs/dbraw/zinc/82/62/33/846826233.db2.gz CIISRYJRIBCCOH-TZMCWYRMSA-N 0 3 352.439 -0.262 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001264529928 846826453 /nfs/dbraw/zinc/82/64/53/846826453.db2.gz QNUMLMDGODJCBF-DGCLKSJQSA-N 0 3 352.439 -0.214 20 0 FBADHN CC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001264539794 846828914 /nfs/dbraw/zinc/82/89/14/846828914.db2.gz IAZDJJUCTRWZCQ-SNPRPXQTSA-N 0 3 359.492 -0.132 20 0 FBADHN CC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001264539795 846828722 /nfs/dbraw/zinc/82/87/22/846828722.db2.gz IAZDJJUCTRWZCQ-YUELXQCFSA-N 0 3 359.492 -0.132 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C1=COCCO1 ZINC001264540952 846828749 /nfs/dbraw/zinc/82/87/49/846828749.db2.gz QTTHTZOAEGYGHV-NEPJUHHUSA-N 0 3 354.407 -0.453 20 0 FBADHN C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnsn1)C(=O)NC(N)=O ZINC001264542039 846828491 /nfs/dbraw/zinc/82/84/91/846828491.db2.gz DFDWBQIEJRDHBQ-BBBLOLIVSA-N 0 3 354.436 -0.048 20 0 FBADHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnsn1)C(=O)NC(N)=O ZINC001264542040 846828870 /nfs/dbraw/zinc/82/88/70/846828870.db2.gz DFDWBQIEJRDHBQ-UTLUCORTSA-N 0 3 354.436 -0.048 20 0 FBADHN C[C@@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H](CNCC(=O)N2CCC2)C1 ZINC001264542352 846828828 /nfs/dbraw/zinc/82/88/28/846828828.db2.gz PAFYISHNSXOTFM-HIFRSBDPSA-N 0 3 350.463 -0.038 20 0 FBADHN Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NC(N)=O)n(C)n1 ZINC001264542463 846828575 /nfs/dbraw/zinc/82/85/75/846828575.db2.gz TXXNCHYRKHEJOI-PWSUYJOCSA-N 0 3 350.423 -0.246 20 0 FBADHN C[C@@H]1CCN(C(=O)CC(N)=O)[C@H](CNCC(=O)NCC(F)(F)F)C1 ZINC001264545166 846828598 /nfs/dbraw/zinc/82/85/98/846828598.db2.gz DJUKHQWXMUKJBR-ZJUUUORDSA-N 0 3 352.357 -0.243 20 0 FBADHN CCCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC(N)=O ZINC001264545302 846828140 /nfs/dbraw/zinc/82/81/40/846828140.db2.gz INMMIHDFUNNDQH-NEPJUHHUSA-N 0 3 355.439 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ZINC001264551160 846828703 /nfs/dbraw/zinc/82/87/03/846828703.db2.gz VUPPCEVIWNNWLV-YPMHNXCESA-N 0 3 366.505 -0.708 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCC1CC1 ZINC001264551956 846828735 /nfs/dbraw/zinc/82/87/35/846828735.db2.gz DCXKQCPWUPGCHX-OCCSQVGLSA-N 0 3 353.467 -0.342 20 0 FBADHN C[C@@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)[C@H](CNCC(N)=O)C1 ZINC001264552092 846828901 /nfs/dbraw/zinc/82/89/01/846828901.db2.gz JNPVYACJDDSTAC-OLZOCXBDSA-N 0 3 352.435 -0.382 20 0 FBADHN CNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCNC(=O)COC ZINC001264552215 846828921 /nfs/dbraw/zinc/82/89/21/846828921.db2.gz OEUOOPLNIJOAPL-MCIONIFRSA-N 0 3 356.467 -0.510 20 0 FBADHN CNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCNC(=O)COC ZINC001264552216 846828540 /nfs/dbraw/zinc/82/85/40/846828540.db2.gz OEUOOPLNIJOAPL-RDBSUJKOSA-N 0 3 356.467 -0.510 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001264554012 846828673 /nfs/dbraw/zinc/82/86/73/846828673.db2.gz BJHSFFKNYIAFEH-GRYCIOLGSA-N 0 3 360.405 -0.185 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001264554013 846828929 /nfs/dbraw/zinc/82/89/29/846828929.db2.gz BJHSFFKNYIAFEH-WOPDTQHZSA-N 0 3 360.405 -0.185 20 0 FBADHN CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001264554485 846828772 /nfs/dbraw/zinc/82/87/72/846828772.db2.gz MRFVJANWPSCHLA-MCIONIFRSA-N 0 3 359.492 -0.226 20 0 FBADHN CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001264554486 846828942 /nfs/dbraw/zinc/82/89/42/846828942.db2.gz MRFVJANWPSCHLA-RDBSUJKOSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001264556912 846828852 /nfs/dbraw/zinc/82/88/52/846828852.db2.gz OTEXYSXOPNBZOS-QPSCCSFWSA-N 0 3 350.463 -0.183 20 0 FBADHN CC(C)N(C)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001264558237 846829697 /nfs/dbraw/zinc/82/96/97/846829697.db2.gz IIYYXYFUAKWGJC-HZSPNIEDSA-N 0 3 353.467 -0.249 20 0 FBADHN CC(C)N(C)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001264558238 846829974 /nfs/dbraw/zinc/82/99/74/846829974.db2.gz IIYYXYFUAKWGJC-RDBSUJKOSA-N 0 3 353.467 -0.249 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CCOC1 ZINC001264558603 846829496 /nfs/dbraw/zinc/82/94/96/846829496.db2.gz UWTRSSQFALNGRK-BFQNTYOBSA-N 0 3 358.414 -0.213 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CCOC1 ZINC001264558604 846829481 /nfs/dbraw/zinc/82/94/81/846829481.db2.gz UWTRSSQFALNGRK-WQGACYEGSA-N 0 3 358.414 -0.213 20 0 FBADHN CCN1CC[C@@H](NC[C@@H]2C[C@H](C)CCN2C(=O)CCNC(N)=O)C1=O ZINC001264565442 846829868 /nfs/dbraw/zinc/82/98/68/846829868.db2.gz FRNPFUBBULYCRI-HZSPNIEDSA-N 0 3 353.467 -0.118 20 0 FBADHN CCN1CC[C@H](NC[C@@H]2C[C@H](C)CCN2C(=O)CCNC(N)=O)C1=O ZINC001264565443 846829766 /nfs/dbraw/zinc/82/97/66/846829766.db2.gz FRNPFUBBULYCRI-RDBSUJKOSA-N 0 3 353.467 -0.118 20 0 FBADHN C[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H](CNCCS(C)(=O)=O)C1 ZINC001264566833 846830009 /nfs/dbraw/zinc/83/00/09/846830009.db2.gz JSWNIHZQJDUDIN-YPMHNXCESA-N 0 3 370.475 -0.012 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)N(C)C ZINC001264566960 846829910 /nfs/dbraw/zinc/82/99/10/846829910.db2.gz OIBYJCPLRHLURL-AGIUHOORSA-N 0 3 362.496 -0.771 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)N(C)C ZINC001264566961 846829860 /nfs/dbraw/zinc/82/98/60/846829860.db2.gz OIBYJCPLRHLURL-UPJWGTAASA-N 0 3 362.496 -0.771 20 0 FBADHN CCS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001264568046 846829986 /nfs/dbraw/zinc/82/99/86/846829986.db2.gz PJLCCZWDSSUGIB-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN CCS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H]1CCN(C)C1=O ZINC001264568047 846830030 /nfs/dbraw/zinc/83/00/30/846830030.db2.gz PJLCCZWDSSUGIB-RDBSUJKOSA-N 0 3 359.492 -0.132 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cn1ccnc1 ZINC001264568232 846830022 /nfs/dbraw/zinc/83/00/22/846830022.db2.gz TZUKVCLHMSNLFR-OLZOCXBDSA-N 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846832887 /nfs/dbraw/zinc/83/28/87/846832887.db2.gz ZDWNSGREPJKXEQ-UONOGXRCSA-N 0 3 357.480 -0.139 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1CCOCC1CC1 ZINC001264614732 846832375 /nfs/dbraw/zinc/83/23/75/846832375.db2.gz CYELIPQGJZGHKM-JKSUJKDBSA-N 0 3 352.479 -0.186 20 0 FBADHN CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(CCN2CCNC2=O)[C@@H]1CC ZINC001264618707 846832677 /nfs/dbraw/zinc/83/26/77/846832677.db2.gz PPYIWVRSZOFVDZ-QLFBSQMISA-N 0 3 353.467 -0.105 20 0 FBADHN CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(CCN2CCNC2=O)[C@@H]1CC ZINC001264618708 846832333 /nfs/dbraw/zinc/83/23/33/846832333.db2.gz PPYIWVRSZOFVDZ-SOUVJXGZSA-N 0 3 353.467 -0.105 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1C[C@@H](O)COC ZINC001264625134 846834404 /nfs/dbraw/zinc/83/44/04/846834404.db2.gz SZAMJDCQDZMRFM-GRYCIOLGSA-N 0 3 351.407 -0.835 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1C[C@H](O)COC ZINC001264625135 846835181 /nfs/dbraw/zinc/83/51/81/846835181.db2.gz SZAMJDCQDZMRFM-SDDRHHMPSA-N 0 3 351.407 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/nfs/dbraw/zinc/83/65/55/846836555.db2.gz YHJOTCZAXVYHDK-KGLIPLIRSA-N 0 3 351.451 -0.682 20 0 FBADHN CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@@H]2C1 ZINC001264646068 846838701 /nfs/dbraw/zinc/83/87/01/846838701.db2.gz ZZALBOSBPQSSQL-HZSPNIEDSA-N 0 3 354.451 -0.865 20 0 FBADHN CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@@H]2C1 ZINC001264646069 846838747 /nfs/dbraw/zinc/83/87/47/846838747.db2.gz ZZALBOSBPQSSQL-RDBSUJKOSA-N 0 3 354.451 -0.865 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2CCN(CC(=O)NC(=O)NC)C[C@H]2C1)N(C)C ZINC001264646386 846838839 /nfs/dbraw/zinc/83/88/39/846838839.db2.gz MSTNAXSWJVYDDT-HZSPNIEDSA-N 0 3 353.467 -0.438 20 0 FBADHN CNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC001264649362 846839999 /nfs/dbraw/zinc/83/99/99/846839999.db2.gz YNCXBLRVVHNWQL-HZSPNIEDSA-N 0 3 351.451 -0.684 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001264650019 846840556 /nfs/dbraw/zinc/84/05/56/846840556.db2.gz AYUMNTKOIJAOSV-KGLIPLIRSA-N 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846844786 /nfs/dbraw/zinc/84/47/86/846844786.db2.gz SEFYMTDIBNSBEI-ZLDLUXBVSA-N 0 3 353.419 -0.096 20 0 FBADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC001264703394 846844808 /nfs/dbraw/zinc/84/48/08/846844808.db2.gz ZJFQFFPDYPSBGN-UPJWGTAASA-N 0 3 354.455 -0.443 20 0 FBADHN COCC(=O)N(C)CC(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001264703926 846844549 /nfs/dbraw/zinc/84/45/49/846844549.db2.gz JPMUUOBWPQGMGP-HIFRSBDPSA-N 0 3 351.451 -0.354 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1CCN1CCCS1(=O)=O ZINC001264705262 846846306 /nfs/dbraw/zinc/84/63/06/846846306.db2.gz IDMRWLXUMSXMRP-HIFRSBDPSA-N 0 3 369.491 -0.043 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1CCN(C)S(C)(=O)=O ZINC001264705643 846847165 /nfs/dbraw/zinc/84/71/65/846847165.db2.gz YDMUPVMRIXRCSD-KGLIPLIRSA-N 0 3 360.524 -0.059 20 0 FBADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H]1C ZINC001264708199 846846919 /nfs/dbraw/zinc/84/69/19/846846919.db2.gz JJNUKNYKQFYZTL-UTUOFQBUSA-N 0 3 354.407 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846850493 /nfs/dbraw/zinc/85/04/93/846850493.db2.gz FGUFQVDOVBJIRS-MJBXVCDLSA-N 0 3 353.467 -0.247 20 0 FBADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H]1C ZINC001264720106 846849982 /nfs/dbraw/zinc/84/99/82/846849982.db2.gz CEFJRFPGXVYZMB-BZPMIXESSA-N 0 3 350.419 -0.311 20 0 FBADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H]1C ZINC001264720107 846850581 /nfs/dbraw/zinc/85/05/81/846850581.db2.gz CEFJRFPGXVYZMB-DYEKYZERSA-N 0 3 350.419 -0.311 20 0 FBADHN CC[C@@H](C(=O)N[C@H]1CCN(CC(=O)NC(=O)NC2CC2)[C@@H]1C)N(C)C ZINC001264720515 846850031 /nfs/dbraw/zinc/85/00/31/846850031.db2.gz RKXGMZRHAVDXCK-XBFCOCLRSA-N 0 3 353.467 -0.106 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001264721394 846850052 /nfs/dbraw/zinc/85/00/52/846850052.db2.gz KOLQOSNUEGFGJK-BZPMIXESSA-N 0 3 357.480 -0.521 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001264721397 846849776 /nfs/dbraw/zinc/84/97/76/846849776.db2.gz KOLQOSNUEGFGJK-SCRDCRAPSA-N 0 3 357.480 -0.521 20 0 FBADHN CC(=O)NCCOCCN1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H]1C ZINC001264722082 846850369 /nfs/dbraw/zinc/85/03/69/846850369.db2.gz BGVINFHHCLJELD-SNPRPXQTSA-N 0 3 354.451 -0.613 20 0 FBADHN CC(=O)NCCOCCN1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H]1C ZINC001264722083 846849608 /nfs/dbraw/zinc/84/96/08/846849608.db2.gz BGVINFHHCLJELD-YUELXQCFSA-N 0 3 354.451 -0.613 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CCN(CCOCCO)[C@@H]1C ZINC001264723457 846852209 /nfs/dbraw/zinc/85/22/09/846852209.db2.gz HQCTZTZFDDYAFZ-YPMHNXCESA-N 0 3 354.407 -0.673 20 0 FBADHN CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C[C@H](O)Cn2cccn2)[C@@H]1C ZINC001264723566 846851353 /nfs/dbraw/zinc/85/13/53/846851353.db2.gz MOIYGZDGXPBVNR-SNPRPXQTSA-N 0 3 351.451 -0.262 20 0 FBADHN CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)[C@@H]1C ZINC001264723567 846852156 /nfs/dbraw/zinc/85/21/56/846852156.db2.gz MOIYGZDGXPBVNR-YUELXQCFSA-N 0 3 351.451 -0.262 20 0 FBADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1C ZINC001264724913 846852196 /nfs/dbraw/zinc/85/21/96/846852196.db2.gz NLXHXSWHNZXWRD-KFWWJZLASA-N 0 3 352.435 -0.554 20 0 FBADHN CNC(=O)c1ccc(C(=O)N[C@H]2CCN(C[C@@H](O)COC)[C@@H]2C)cn1 ZINC001264727502 846851504 /nfs/dbraw/zinc/85/15/04/846851504.db2.gz NGGLFILYJYFYDO-BNOWGMLFSA-N 0 3 350.419 -0.359 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1CCN(CCN2CCCS2(=O)=O)[C@@H]1C ZINC001264728965 846851880 /nfs/dbraw/zinc/85/18/80/846851880.db2.gz XPWWPUOISBROGC-CABCVRRESA-N 0 3 360.524 -0.057 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)CCN1CCOCCO ZINC001264729248 846851630 /nfs/dbraw/zinc/85/16/30/846851630.db2.gz JEADVCGCMPNSAO-IPYPFGDCSA-N 0 3 363.480 -0.954 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CCN1CCOCCO ZINC001264729249 846852272 /nfs/dbraw/zinc/85/22/72/846852272.db2.gz JEADVCGCMPNSAO-VNHYZAJKSA-N 0 3 363.480 -0.954 20 0 FBADHN CNC(=O)c1cccc(C(=O)N[C@H]2CCN(C[C@H](O)COC)[C@@H]2C)n1 ZINC001264729389 846851467 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/nfs/dbraw/zinc/98/22/09/836982209.db2.gz LGOYFRVYZGAGDK-FMKPAKJESA-N 0 3 350.419 -0.638 20 0 FBADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001272414047 836982635 /nfs/dbraw/zinc/98/26/35/836982635.db2.gz LGOYFRVYZGAGDK-LZWOXQAQSA-N 0 3 350.419 -0.638 20 0 FBADHN CN(C)CCN1CCC2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC001272419448 836987430 /nfs/dbraw/zinc/98/74/30/836987430.db2.gz RNEURWDWPADLSE-CYBMUJFWSA-N 0 3 372.491 -0.919 20 0 FBADHN CN(C)CCN1CCC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1=O ZINC001272419450 836987218 /nfs/dbraw/zinc/98/72/18/836987218.db2.gz RNEURWDWPADLSE-ZDUSSCGKSA-N 0 3 372.491 -0.919 20 0 FBADHN CN(C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001272420119 836987680 /nfs/dbraw/zinc/98/76/80/836987680.db2.gz WLQBWAJCAAONMQ-BBRMVZONSA-N 0 3 372.491 -0.777 20 0 FBADHN CN(C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001272420120 836987582 /nfs/dbraw/zinc/98/75/82/836987582.db2.gz WLQBWAJCAAONMQ-CJNGLKHVSA-N 0 3 372.491 -0.777 20 0 FBADHN CN(C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001272420121 836987411 /nfs/dbraw/zinc/98/74/11/836987411.db2.gz WLQBWAJCAAONMQ-CZUORRHYSA-N 0 3 372.491 -0.777 20 0 FBADHN CN(C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001272420122 836987345 /nfs/dbraw/zinc/98/73/45/836987345.db2.gz WLQBWAJCAAONMQ-XJKSGUPXSA-N 0 3 372.491 -0.777 20 0 FBADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001272451934 836992420 /nfs/dbraw/zinc/99/24/20/836992420.db2.gz GZXZYTAXADAICD-TUAOUCFPSA-N 0 3 366.340 -0.667 20 0 FBADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001272451936 836992164 /nfs/dbraw/zinc/99/21/64/836992164.db2.gz GZXZYTAXADAICD-UTUOFQBUSA-N 0 3 366.340 -0.667 20 0 FBADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N1CCOCC1 ZINC001272453959 836992490 /nfs/dbraw/zinc/99/24/90/836992490.db2.gz MHJIVYOETPWRNO-QLFBSQMISA-N 0 3 367.471 -0.223 20 0 FBADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N1CCOCC1 ZINC001272453962 836992472 /nfs/dbraw/zinc/99/24/72/836992472.db2.gz MHJIVYOETPWRNO-SOUVJXGZSA-N 0 3 367.471 -0.223 20 0 FBADHN CN(CC1CC1)C(=O)CNC[C@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001272468993 836996310 /nfs/dbraw/zinc/99/63/10/836996310.db2.gz BVMBVPDUERAWMM-DAYGRLMNSA-N 0 3 353.463 -0.119 20 0 FBADHN CN(CC1CC1)C(=O)CNC[C@@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001272468995 836995709 /nfs/dbraw/zinc/99/57/09/836995709.db2.gz BVMBVPDUERAWMM-RKVPGOIHSA-N 0 3 353.463 -0.119 20 0 FBADHN CN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001272469064 836996091 /nfs/dbraw/zinc/99/60/91/836996091.db2.gz CUJXCQDBFAGTBH-HRCADAONSA-N 0 3 353.463 -0.263 20 0 FBADHN CN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001272469065 836996367 /nfs/dbraw/zinc/99/63/67/836996367.db2.gz CUJXCQDBFAGTBH-OWCLPIDISA-N 0 3 353.463 -0.263 20 0 FBADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NC1CCCC1 ZINC001272479206 837002401 /nfs/dbraw/zinc/00/24/01/837002401.db2.gz FPBQROPDAITZCU-INMHGKMJSA-N 0 3 353.463 -0.073 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/nfs/dbraw/zinc/00/63/12/837006312.db2.gz GHCLEHINIQUFFY-ZDUSSCGKSA-N 0 3 355.435 -0.829 20 0 FBADHN CN1CCN(CCCN2C[C@]3(CC2=O)CCCCN3C(=O)CO)CC1 ZINC001272501151 837008233 /nfs/dbraw/zinc/00/82/33/837008233.db2.gz VAQWLIBHJKHBKX-GOSISDBHSA-N 0 3 352.479 -0.400 20 0 FBADHN CN1CCN(CCCN2C[C@@]3(CC2=O)CCCCN3C(=O)CO)CC1 ZINC001272501152 837007655 /nfs/dbraw/zinc/00/76/55/837007655.db2.gz VAQWLIBHJKHBKX-SFHVURJKSA-N 0 3 352.479 -0.400 20 0 FBADHN CN1CCN(CCCN2CCC3(CCN(C(=O)CO)CC3)C2=O)CC1 ZINC001272501330 837007556 /nfs/dbraw/zinc/00/75/56/837007556.db2.gz YAVXJXKMGPGAJU-UHFFFAOYSA-N 0 3 352.479 -0.543 20 0 FBADHN CN(C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC(C)(C)C(=O)N3)C2)C1=O ZINC001272518645 837012381 /nfs/dbraw/zinc/01/23/81/837012381.db2.gz LPXGPUVADWVQKZ-SCLBCKFNSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC(C)(C)C(=O)N3)C2)C1=O ZINC001272518647 837012008 /nfs/dbraw/zinc/01/20/08/837012008.db2.gz LPXGPUVADWVQKZ-UGSOOPFHSA-N 0 3 350.463 -0.086 20 0 FBADHN COc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1 ZINC001272519816 837013357 /nfs/dbraw/zinc/01/33/57/837013357.db2.gz DSYWRNQPZNZLDL-TUVASFSCSA-N 0 3 350.419 -0.072 20 0 FBADHN COc1ncc(CNC[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1 ZINC001272519821 837013238 /nfs/dbraw/zinc/01/32/38/837013238.db2.gz DSYWRNQPZNZLDL-YJNKXOJESA-N 0 3 350.419 -0.072 20 0 FBADHN Cc1ccc(F)c(CNC[C@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC001272521623 837013426 /nfs/dbraw/zinc/01/34/26/837013426.db2.gz RUUBAGLXPUJLJM-AEGPPILISA-N 0 3 353.394 -0.266 20 0 FBADHN Cc1ccc(F)c(CNC[C@@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC001272521624 837012708 /nfs/dbraw/zinc/01/27/08/837012708.db2.gz RUUBAGLXPUJLJM-VHDGCEQUSA-N 0 3 353.394 -0.266 20 0 FBADHN O=C(NC[C@H](O)CNCCN1CCCS1(=O)=O)[C@@H]1C[C@H]1C1CCC1 ZINC001272537777 837015493 /nfs/dbraw/zinc/01/54/93/837015493.db2.gz XWNJBSLIWRATHL-QLFBSQMISA-N 0 3 359.492 -0.475 20 0 FBADHN O=C(NC[C@@H](O)CNCCN1CCCS1(=O)=O)[C@@H]1C[C@H]1C1CCC1 ZINC001272537778 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C[C@@H](C(=O)N1C[C@@H]2OCCN(S(=O)(=O)N(C)C)[C@H]2C1)N1CCCC1 ZINC001273505215 840497748 /nfs/dbraw/zinc/49/77/48/840497748.db2.gz XJFLMSHLKANMLL-IHRRRGAJSA-N 0 3 360.480 -0.811 20 0 FBADHN C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N(C)C)N1CCCC1 ZINC001273505216 840497625 /nfs/dbraw/zinc/49/76/25/840497625.db2.gz XJFLMSHLKANMLL-MCIONIFRSA-N 0 3 360.480 -0.811 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N(C)C)N1CCCC1 ZINC001273505217 840497652 /nfs/dbraw/zinc/49/76/52/840497652.db2.gz XJFLMSHLKANMLL-MJBXVCDLSA-N 0 3 360.480 -0.811 20 0 FBADHN C[C@H](C(=O)N1C[C@@H]2OCCN(S(=O)(=O)N(C)C)[C@H]2C1)N1CCCC1 ZINC001273505218 840496932 /nfs/dbraw/zinc/49/69/32/840496932.db2.gz XJFLMSHLKANMLL-RDBSUJKOSA-N 0 3 360.480 -0.811 20 0 FBADHN C[C@H](C(=O)N1CC2(CCN2S(=O)(=O)c2cn(C)cn2)C1)N1CCCC1 ZINC001273505272 840497742 /nfs/dbraw/zinc/49/77/42/840497742.db2.gz ZCXISJUKUUOUBG-CYBMUJFWSA-N 0 3 367.475 -0.120 20 0 FBADHN C[C@@H](C(=O)N1CC2(CCN2S(=O)(=O)c2cn(C)cn2)C1)N1CCCC1 ZINC001273505273 840497064 /nfs/dbraw/zinc/49/70/64/840497064.db2.gz ZCXISJUKUUOUBG-ZDUSSCGKSA-N 0 3 367.475 -0.120 20 0 FBADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3ccc(=O)[nH]n3)C[C@@]2(F)C1=O ZINC001273511981 840511698 /nfs/dbraw/zinc/51/16/98/840511698.db2.gz OQLJCQDXRYRPSU-HUUCEWRRSA-N 0 3 355.345 -0.085 20 0 FBADHN CCN(CCNCCN1CCCS1(=O)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001273521969 840520587 /nfs/dbraw/zinc/52/05/87/840520587.db2.gz QYISWUPLCWIVRN-LEOABGAYSA-N 0 3 371.503 -0.117 20 0 FBADHN CCN(CCNCC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001273522892 840521195 /nfs/dbraw/zinc/52/11/95/840521195.db2.gz ZIUNQRDVMFOAHA-NMNMXBMNSA-N 0 3 351.447 -0.293 20 0 FBADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1CCC(=O)C1)C2 ZINC001273527945 840535955 /nfs/dbraw/zinc/53/59/55/840535955.db2.gz CRVVZEJLRYLWAN-KBXCAEBGSA-N 0 3 351.447 -0.005 20 0 FBADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1CCC(=O)C1)C2 ZINC001273527946 840535521 /nfs/dbraw/zinc/53/55/21/840535521.db2.gz 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353.419 -0.813 20 0 FBADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273531566 840543914 /nfs/dbraw/zinc/54/39/14/840543914.db2.gz RVMFRKLWZNFLQZ-OGHNNQOOSA-N 0 3 353.419 -0.813 20 0 FBADHN COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273531567 840543574 /nfs/dbraw/zinc/54/35/74/840543574.db2.gz RVMFRKLWZNFLQZ-PBFPGSCMSA-N 0 3 353.419 -0.813 20 0 FBADHN COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273531568 840543587 /nfs/dbraw/zinc/54/35/87/840543587.db2.gz RVMFRKLWZNFLQZ-XNJGSVPQSA-N 0 3 353.419 -0.813 20 0 FBADHN CC(=O)N[C@H](CCO)C(=O)N1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001273547043 840581512 /nfs/dbraw/zinc/58/15/12/840581512.db2.gz FQTMLSJJQDRQHZ-PBHICJAKSA-N 0 3 354.451 -0.971 20 0 FBADHN CC(=O)N[C@H](CCO)C(=O)N1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001273547044 840581439 /nfs/dbraw/zinc/58/14/39/840581439.db2.gz FQTMLSJJQDRQHZ-RHSMWYFYSA-N 0 3 354.451 -0.971 20 0 FBADHN CC(=O)N[C@@H](CCO)C(=O)N1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001273547045 840581072 /nfs/dbraw/zinc/58/10/72/840581072.db2.gz FQTMLSJJQDRQHZ-WMLDXEAASA-N 0 3 354.451 -0.971 20 0 FBADHN CC(=O)N[C@@H](CCO)C(=O)N1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001273547046 840580970 /nfs/dbraw/zinc/58/09/70/840580970.db2.gz FQTMLSJJQDRQHZ-YOEHRIQHSA-N 0 3 354.451 -0.971 20 0 FBADHN CC(=O)N[C@H](CCO)C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273548320 840580934 /nfs/dbraw/zinc/58/09/34/840580934.db2.gz RCPXZUPYIGDYRZ-RBSFLKMASA-N 0 3 354.451 -0.973 20 0 FBADHN CC(=O)N[C@@H](CCO)C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273548321 840582530 /nfs/dbraw/zinc/58/25/30/840582530.db2.gz RCPXZUPYIGDYRZ-RRFJBIMHSA-N 0 3 354.451 -0.973 20 0 FBADHN CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)CCS(N)(=O)=O)CC2 ZINC001273580720 840678553 /nfs/dbraw/zinc/67/85/53/840678553.db2.gz FQQDLZZJQYOJOE-UHFFFAOYSA-N 0 3 360.480 -0.932 20 0 FBADHN CN(C)C(=O)CN1CCCC2(CCN(C(=O)CCS(N)(=O)=O)CC2)C1 ZINC001273580799 840678438 /nfs/dbraw/zinc/67/84/38/840678438.db2.gz HTDUOYHZWAETRQ-UHFFFAOYSA-N 0 3 374.507 -0.542 20 0 FBADHN NS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001273580867 840679900 /nfs/dbraw/zinc/67/99/00/840679900.db2.gz KDRXQSRUFQVMIA-HNNXBMFYSA-N 0 3 355.464 -0.097 20 0 FBADHN NS(=O)(=O)CCC(=O)N1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001273580868 840679632 /nfs/dbraw/zinc/67/96/32/840679632.db2.gz KDRXQSRUFQVMIA-OAHLLOKOSA-N 0 3 355.464 -0.097 20 0 FBADHN NS(=O)(=O)CCC(=O)N1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001273580916 840679662 /nfs/dbraw/zinc/67/96/62/840679662.db2.gz LXKLUCAOTXJOAV-UHFFFAOYSA-N 0 3 355.464 -0.097 20 0 FBADHN NS(=O)(=O)CCC(=O)N1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001273580974 840684989 /nfs/dbraw/zinc/68/49/89/840684989.db2.gz NNBXZRZFSAXVMK-UHFFFAOYSA-N 0 3 355.464 -0.514 20 0 FBADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1cncc(Cl)n1)C2 ZINC001273581441 840683172 /nfs/dbraw/zinc/68/31/72/840683172.db2.gz DLRNIIODCXGDOH-UHFFFAOYSA-N 0 3 353.810 -0.255 20 0 FBADHN CN(C)CCN1CC2(CN(C(=O)c3cncc(Cl)n3)C2)OCC1=O ZINC001273582494 840684574 /nfs/dbraw/zinc/68/45/74/840684574.db2.gz PDIBVFZWTXMBKS-UHFFFAOYSA-N 0 3 353.810 -0.255 20 0 FBADHN CCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001273610035 840768780 /nfs/dbraw/zinc/76/87/80/840768780.db2.gz HWRAATFERNHRHT-NEPJUHHUSA-N 0 3 355.439 -0.828 20 0 FBADHN CCN(CCNCC(=O)N(C)CC(F)(F)F)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001273611286 840774548 /nfs/dbraw/zinc/77/45/48/840774548.db2.gz WBLBNORWHNTNJR-ZJUUUORDSA-N 0 3 352.357 -0.433 20 0 FBADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1C[C@](C)(O)C1)C2 ZINC001273611608 840781192 /nfs/dbraw/zinc/78/11/92/840781192.db2.gz PALWYRUAGJCOIV-WBAXXEDZSA-N 0 3 353.463 -0.214 20 0 FBADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1C[C@](C)(O)C1)C2 ZINC001273611610 840780957 /nfs/dbraw/zinc/78/09/57/840780957.db2.gz PALWYRUAGJCOIV-ZTFGCOKTSA-N 0 3 353.463 -0.214 20 0 FBADHN CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001273615881 840805556 /nfs/dbraw/zinc/80/55/56/840805556.db2.gz PGBZEMUJAMVVKH-IJLUTSLNSA-N 0 3 350.423 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/nfs/dbraw/zinc/90/26/83/840902683.db2.gz CXGAYVUODPWGMG-UHFFFAOYSA-N 0 3 350.423 -0.526 20 0 FBADHN CC(C)n1cnc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)n1 ZINC001273635106 840905073 /nfs/dbraw/zinc/90/50/73/840905073.db2.gz JFYRVQLUVCOIKD-UHFFFAOYSA-N 0 3 350.423 -0.526 20 0 FBADHN CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)CN(C)C1CCCC1)C2 ZINC001273638942 840932344 /nfs/dbraw/zinc/93/23/44/840932344.db2.gz OWUKXYDJBNMOAL-FZKQIMNGSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)C(=O)CNC(=O)[C@@H]1CC12CN(C(=O)CN(C)C1CCCC1)C2 ZINC001273639528 840930596 /nfs/dbraw/zinc/93/05/96/840930596.db2.gz VUJAFDVUHRFMJK-AWEZNQCLSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)C(=O)CNC(=O)[C@H]1CC12CN(C(=O)CN(C)C1CCCC1)C2 ZINC001273639529 840930396 /nfs/dbraw/zinc/93/03/96/840930396.db2.gz VUJAFDVUHRFMJK-CQSZACIVSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(CC(=O)N1CC2(C[C@H]2C(=O)NCCS(C)(=O)=O)C1)C1CCCC1 ZINC001273641033 840940648 /nfs/dbraw/zinc/94/06/48/840940648.db2.gz CNMRGKZEFPXQIF-AWEZNQCLSA-N 0 3 371.503 -0.130 20 0 FBADHN 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CN(C)CCN1C(=O)COCC12CN(C(=O)c1cnn(C)c1Cl)C2 ZINC001274459156 841848108 /nfs/dbraw/zinc/84/81/08/841848108.db2.gz LYTPWRUKLLVHEU-UHFFFAOYSA-N 0 3 355.826 -0.312 20 0 FBADHN CN(C)CCN1CC2(CN(C(=O)c3cnn(C)c3Cl)C2)OCC1=O ZINC001274459336 841848346 /nfs/dbraw/zinc/84/83/46/841848346.db2.gz QNDLTAVCIHLCHV-UHFFFAOYSA-N 0 3 355.826 -0.312 20 0 FBADHN CCc1[nH]nc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)c1F ZINC001274466962 841848951 /nfs/dbraw/zinc/84/89/51/841848951.db2.gz BDZZBZBZRZYDNI-UHFFFAOYSA-N 0 3 353.398 -0.274 20 0 FBADHN Cc1nc(C(=O)N2CCOC[C@]3(CC(=O)N(CCN(C)C)C3)C2)no1 ZINC001274467042 841849089 /nfs/dbraw/zinc/84/90/89/841849089.db2.gz YNUXFDOOZNNNRI-INIZCTEOSA-N 0 3 351.407 -0.369 20 0 FBADHN Cc1nc(C(=O)N2CCOC[C@@]3(CC(=O)N(CCN(C)C)C3)C2)no1 ZINC001274467043 841848816 /nfs/dbraw/zinc/84/88/16/841848816.db2.gz YNUXFDOOZNNNRI-MRXNPFEDSA-N 0 3 351.407 -0.369 20 0 FBADHN CCc1[nH]nc(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)c1F ZINC001274468470 841849146 /nfs/dbraw/zinc/84/91/46/841849146.db2.gz 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CN(C)S(=O)(=O)N1CCC12CN(C(=O)CCCN1CCN(C)CC1)C2 ZINC001274514605 841853167 /nfs/dbraw/zinc/85/31/67/841853167.db2.gz LDGJMXOXYSCJFN-UHFFFAOYSA-N 0 3 373.523 -0.893 20 0 FBADHN COCCOCN1CC2(C1)CN(C(=O)CCCN1CCN(C)CC1)C2 ZINC001274515483 841855233 /nfs/dbraw/zinc/85/52/33/841855233.db2.gz QITXNWNTTVVHFX-UHFFFAOYSA-N 0 3 354.495 -0.221 20 0 FBADHN COCCOCN1C[C@H]2C[C@@H](C1)N2C(=O)CCCN1CCN(C)CC1 ZINC001274516910 841854379 /nfs/dbraw/zinc/85/43/79/841854379.db2.gz YEQQPRDBKLLYAJ-CALCHBBNSA-N 0 3 354.495 -0.080 20 0 FBADHN COCCOCN1CCC12CN(C(=O)CCCN1CCN(C)CC1)C2 ZINC001274517069 841854460 /nfs/dbraw/zinc/85/44/60/841854460.db2.gz ZLMQVALOIOAAOY-UHFFFAOYSA-N 0 3 354.495 -0.079 20 0 FBADHN CN(C)C(=O)CN1CCC12CN(C(=O)CCCN1CCN(C)CC1)C2 ZINC001274517070 841854254 /nfs/dbraw/zinc/85/42/54/841854254.db2.gz ZNDMQYZPGVGHDH-UHFFFAOYSA-N 0 3 351.495 -0.611 20 0 FBADHN O=C(CNCC1(O)CCN(C(=O)[C@]23C[C@H]2COC3)CC1)N1CCCC1 ZINC001274521113 841854945 /nfs/dbraw/zinc/85/49/45/841854945.db2.gz 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CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNCC(=O)NC(N)=O)CC1 ZINC001274536322 841856351 /nfs/dbraw/zinc/85/63/51/841856351.db2.gz NNBSBCVBMPQDJH-VXGBXAGGSA-N 0 3 354.451 -0.193 20 0 FBADHN CS(=O)(=O)CCNCC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001274536355 841856439 /nfs/dbraw/zinc/85/64/39/841856439.db2.gz OGTHROCXJCALOR-SOUVJXGZSA-N 0 3 374.503 -0.211 20 0 FBADHN CNC(=O)[C@@H](C)NCC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001274536662 841856249 /nfs/dbraw/zinc/85/62/49/841856249.db2.gz SLJBZIIUZUTTRA-CBBWQLFWSA-N 0 3 353.463 -0.121 20 0 FBADHN CNC(=O)[C@H](C)NCC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001274536663 841856666 /nfs/dbraw/zinc/85/66/66/841856666.db2.gz SLJBZIIUZUTTRA-ZQDZILKHSA-N 0 3 353.463 -0.121 20 0 FBADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3ccn[nH]c3=O)C[C@@]2(F)C1=O ZINC001274538757 841856295 /nfs/dbraw/zinc/85/62/95/841856295.db2.gz KDKUZIAXSDYQOS-HUUCEWRRSA-N 0 3 355.345 -0.542 20 0 FBADHN CN(C)CCN1CC2(CN(C(=O)c3cncn3CCF)C2)OCC1=O ZINC001274541869 841856464 /nfs/dbraw/zinc/85/64/64/841856464.db2.gz FBAVTDMEJUKDER-UHFFFAOYSA-N 0 3 353.398 -0.532 20 0 FBADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1cncn1CCF)C2 ZINC001274542487 841856735 /nfs/dbraw/zinc/85/67/35/841856735.db2.gz SBUPFPOCXMOUPN-UHFFFAOYSA-N 0 3 353.398 -0.532 20 0 FBADHN CCC[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNCC(=O)NC(=O)NC)CC1 ZINC001274558608 841858355 /nfs/dbraw/zinc/85/83/55/841858355.db2.gz UWYUOZSLYAUUAZ-CHWSQXEVSA-N 0 3 354.451 -0.179 20 0 FBADHN CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3C(N)=O)CC2)C1 ZINC001274583839 841862570 /nfs/dbraw/zinc/86/25/70/841862570.db2.gz JFSRRENYNDDNOH-KBPBESRZSA-N 0 3 350.463 -0.099 20 0 FBADHN CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001274583840 841862626 /nfs/dbraw/zinc/86/26/26/841862626.db2.gz JFSRRENYNDDNOH-KGLIPLIRSA-N 0 3 350.463 -0.099 20 0 FBADHN CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3C(N)=O)CC2)C1 ZINC001274583841 841862993 /nfs/dbraw/zinc/86/29/93/841862993.db2.gz JFSRRENYNDDNOH-UONOGXRCSA-N 0 3 350.463 -0.099 20 0 FBADHN CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001274583842 841862964 /nfs/dbraw/zinc/86/29/64/841862964.db2.gz JFSRRENYNDDNOH-ZIAGYGMSSA-N 0 3 350.463 -0.099 20 0 FBADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1cc(Cl)nn1C)C2 ZINC001274657807 841866049 /nfs/dbraw/zinc/86/60/49/841866049.db2.gz BQTMKDJUYGRWRY-UHFFFAOYSA-N 0 3 355.826 -0.312 20 0 FBADHN CN(C)CCN1CC2(CN(C(=O)c3cc(Cl)nn3C)C2)OCC1=O ZINC001274658163 841865958 /nfs/dbraw/zinc/86/59/58/841865958.db2.gz IRNBGLKPNPPWOM-UHFFFAOYSA-N 0 3 355.826 -0.312 20 0 FBADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1cnnn1C)C2 ZINC001274709741 841870813 /nfs/dbraw/zinc/87/08/13/841870813.db2.gz MEAHMGYTJQSWHC-INIZCTEOSA-N 0 3 350.423 -0.932 20 0 FBADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1cnnn1C)C2 ZINC001274709748 841870795 /nfs/dbraw/zinc/87/07/95/841870795.db2.gz MEAHMGYTJQSWHC-MRXNPFEDSA-N 0 3 350.423 -0.932 20 0 FBADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3c[nH]c(=O)n3C)C2)OCC1=O ZINC001274746490 841874734 /nfs/dbraw/zinc/87/47/34/841874734.db2.gz JPODWQNYXAXTGM-INIZCTEOSA-N 0 3 351.407 -0.869 20 0 FBADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3c[nH]c(=O)n3C)C2)OCC1=O ZINC001274746491 841874524 /nfs/dbraw/zinc/87/45/24/841874524.db2.gz JPODWQNYXAXTGM-MRXNPFEDSA-N 0 3 351.407 -0.869 20 0 FBADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3c[nH]c(=O)n3C)C[C@@]2(F)C1=O ZINC001274747281 841875131 /nfs/dbraw/zinc/87/51/31/841875131.db2.gz SHCOAVZFCSNJBG-HUUCEWRRSA-N 0 3 357.361 -0.598 20 0 FBADHN CN(C)CCN1CC2(CN(C(=O)c3cn(CCF)cn3)C2)OCC1=O ZINC001274756665 841875432 /nfs/dbraw/zinc/87/54/32/841875432.db2.gz KLNRCOOVFQMIIH-UHFFFAOYSA-N 0 3 353.398 -0.532 20 0 FBADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1cn(CCF)cn1)C2 ZINC001274757401 841876011 /nfs/dbraw/zinc/87/60/11/841876011.db2.gz YKSGDDBBDMLRPW-UHFFFAOYSA-N 0 3 353.398 -0.532 20 0 FBADHN C[C@H](CNCC(=O)NC(=O)NCC(F)(F)F)NC(=O)[C@]12C[C@H]1COC2 ZINC001274759542 841876538 /nfs/dbraw/zinc/87/65/38/841876538.db2.gz CXWQHFUNUOBOLX-ZDMBXUJBSA-N 0 3 366.340 -0.495 20 0 FBADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3cnc(=O)[nH]c3)C[C@@]2(F)C1=O ZINC001274778744 841879158 /nfs/dbraw/zinc/87/91/58/841879158.db2.gz ZEOVATJHRQJDKS-HUUCEWRRSA-N 0 3 355.345 -0.542 20 0 FBADHN CSc1nccc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)n1 ZINC001274801539 841881203 /nfs/dbraw/zinc/88/12/03/841881203.db2.gz FUTWYSWEQFTBDY-UHFFFAOYSA-N 0 3 365.459 -0.187 20 0 FBADHN CSc1nccc(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)n1 ZINC001274802776 841880652 /nfs/dbraw/zinc/88/06/52/841880652.db2.gz UVNDWFKFWDPEBT-UHFFFAOYSA-N 0 3 365.459 -0.187 20 0 FBADHN CSc1ncc(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)cn1 ZINC001274823895 841882367 /nfs/dbraw/zinc/88/23/67/841882367.db2.gz ITELAPPVDHPDIR-UHFFFAOYSA-N 0 3 365.459 -0.187 20 0 FBADHN CSc1ncc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)cn1 ZINC001274824156 841882668 /nfs/dbraw/zinc/88/26/68/841882668.db2.gz SMYLMJNOKGOGQF-UHFFFAOYSA-N 0 3 365.459 -0.187 20 0 FBADHN Cc1[nH]c(=O)sc1C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274824166 841882019 /nfs/dbraw/zinc/88/20/19/841882019.db2.gz 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/nfs/dbraw/zinc/98/22/54/845982254.db2.gz CWEGNHHKJGHIAA-NVXWUHKLSA-N 0 3 352.435 -0.379 20 0 FBADHN CCOC[C@@H](O)CN1CC[C@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001277718239 845982014 /nfs/dbraw/zinc/98/20/14/845982014.db2.gz CWEGNHHKJGHIAA-RDJZCZTQSA-N 0 3 352.435 -0.379 20 0 FBADHN CCOC[C@H](O)CN1CC[C@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001277718240 845981485 /nfs/dbraw/zinc/98/14/85/845981485.db2.gz CWEGNHHKJGHIAA-WBVHZDCISA-N 0 3 352.435 -0.379 20 0 FBADHN O=C1CO[C@@]2(CCN(C[C@H](O)CO)C2)CN1CCc1ccc(O)cc1 ZINC001277718264 845981581 /nfs/dbraw/zinc/98/15/81/845981581.db2.gz DGVOTZRILXTXQI-FUHWJXTLSA-N 0 3 350.415 -0.409 20 0 FBADHN O=C1CO[C@]2(CCN(C[C@H](O)CO)C2)CN1CCc1ccc(O)cc1 ZINC001277718265 845982179 /nfs/dbraw/zinc/98/21/79/845982179.db2.gz DGVOTZRILXTXQI-WMZOPIPTSA-N 0 3 350.415 -0.409 20 0 FBADHN CCOC[C@H](O)CN1CC[C@]2(C1)CN(CCC(=O)N(C)C)C(=O)CO2 ZINC001277718285 845981774 /nfs/dbraw/zinc/98/17/74/845981774.db2.gz DYLJGPBKGKCNKP-PBHICJAKSA-N 0 3 357.451 -0.835 20 0 FBADHN CCOC[C@H](O)CN1CC[C@@]2(C1)CN(CCC(=O)N(C)C)C(=O)CO2 ZINC001277718286 845981728 /nfs/dbraw/zinc/98/17/28/845981728.db2.gz DYLJGPBKGKCNKP-RHSMWYFYSA-N 0 3 357.451 -0.835 20 0 FBADHN CCOC[C@@H](O)CN1CC[C@@]2(C1)CN(CCC(=O)N(C)C)C(=O)CO2 ZINC001277718287 845982330 /nfs/dbraw/zinc/98/23/30/845982330.db2.gz DYLJGPBKGKCNKP-WMLDXEAASA-N 0 3 357.451 -0.835 20 0 FBADHN CCOC[C@@H](O)CN1CC[C@]2(C1)CN(CCC(=O)N(C)C)C(=O)CO2 ZINC001277718288 845981852 /nfs/dbraw/zinc/98/18/52/845981852.db2.gz DYLJGPBKGKCNKP-YOEHRIQHSA-N 0 3 357.451 -0.835 20 0 FBADHN CCOC[C@H](O)CN1CC[C@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001277718465 845982312 /nfs/dbraw/zinc/98/23/12/845982312.db2.gz FYDMRJJNZVXGRJ-PBHICJAKSA-N 0 3 350.419 -0.323 20 0 FBADHN CCOC[C@H](O)CN1CC[C@@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001277718468 845981749 /nfs/dbraw/zinc/98/17/49/845981749.db2.gz FYDMRJJNZVXGRJ-RHSMWYFYSA-N 0 3 350.419 -0.323 20 0 FBADHN CCOC[C@@H](O)CN1CC[C@@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001277718471 845981509 /nfs/dbraw/zinc/98/15/09/845981509.db2.gz FYDMRJJNZVXGRJ-WMLDXEAASA-N 0 3 350.419 -0.323 20 0 FBADHN CCOC[C@@H](O)CN1CC[C@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001277718474 845981244 /nfs/dbraw/zinc/98/12/44/845981244.db2.gz FYDMRJJNZVXGRJ-YOEHRIQHSA-N 0 3 350.419 -0.323 20 0 FBADHN CCOC[C@H](O)CN1CC[C@@]2(C1)CN(C(C)(C)C(=O)NC)C(=O)CO2 ZINC001277718597 845981702 /nfs/dbraw/zinc/98/17/02/845981702.db2.gz GWLWFSLQRDOGSZ-CXAGYDPISA-N 0 3 357.451 -0.788 20 0 FBADHN CCOC[C@H](O)CN1CC[C@]2(C1)CN(C(C)(C)C(=O)NC)C(=O)CO2 ZINC001277718600 845981271 /nfs/dbraw/zinc/98/12/71/845981271.db2.gz GWLWFSLQRDOGSZ-DYVFJYSZSA-N 0 3 357.451 -0.788 20 0 FBADHN CCOC[C@@H](O)CN1CC[C@]2(C1)CN(C(C)(C)C(=O)NC)C(=O)CO2 ZINC001277718602 845982052 /nfs/dbraw/zinc/98/20/52/845982052.db2.gz GWLWFSLQRDOGSZ-GUYCJALGSA-N 0 3 357.451 -0.788 20 0 FBADHN CCOC[C@@H](O)CN1CC[C@@]2(C1)CN(C(C)(C)C(=O)NC)C(=O)CO2 ZINC001277718605 845981402 /nfs/dbraw/zinc/98/14/02/845981402.db2.gz GWLWFSLQRDOGSZ-SUMWQHHRSA-N 0 3 357.451 -0.788 20 0 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/nfs/dbraw/zinc/98/37/38/845983738.db2.gz RMSLGAMEFCCILN-XJKSGUPXSA-N 0 3 354.407 -0.421 20 0 FBADHN CCOC[C@H](O)CN1CCC[C@@]12CCN(CCN1CCOCC1)C2=O ZINC001277719738 845983001 /nfs/dbraw/zinc/98/30/01/845983001.db2.gz RUXJPHADGYQRDL-AEFFLSMTSA-N 0 3 355.479 -0.217 20 0 FBADHN CCOC[C@@H](O)CN1CCC[C@]12CCN(CCN1CCOCC1)C2=O ZINC001277719739 845982862 /nfs/dbraw/zinc/98/28/62/845982862.db2.gz RUXJPHADGYQRDL-FUHWJXTLSA-N 0 3 355.479 -0.217 20 0 FBADHN CCOC[C@H](O)CN1CCC[C@]12CCN(CCN1CCOCC1)C2=O ZINC001277719740 845983281 /nfs/dbraw/zinc/98/32/81/845983281.db2.gz RUXJPHADGYQRDL-SJLPKXTDSA-N 0 3 355.479 -0.217 20 0 FBADHN CCOC[C@@H](O)CN1CCC[C@@]12CCN(CCN1CCOCC1)C2=O ZINC001277719741 845983528 /nfs/dbraw/zinc/98/35/28/845983528.db2.gz RUXJPHADGYQRDL-WMZOPIPTSA-N 0 3 355.479 -0.217 20 0 FBADHN CCOC(=O)CCCCN1C[C@]2(CCN(C[C@H](O)CO)C2)OCC1=O ZINC001277720041 845983320 /nfs/dbraw/zinc/98/33/20/845983320.db2.gz UFAPYVQJLKLKTJ-WMLDXEAASA-N 0 3 358.435 -0.624 20 0 FBADHN 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20 0 FBADHN CCNC(=O)CN1C[C@]2(CC1=O)COCCN(C[C@H](O)COCC)C2 ZINC001277720675 845984879 /nfs/dbraw/zinc/98/48/79/845984879.db2.gz BDUJDIBPLGQGKW-WMLDXEAASA-N 0 3 357.451 -0.929 20 0 FBADHN CCNC(=O)CN1C[C@@]2(CC1=O)COCCN(C[C@H](O)COCC)C2 ZINC001277720677 845984837 /nfs/dbraw/zinc/98/48/37/845984837.db2.gz BDUJDIBPLGQGKW-YOEHRIQHSA-N 0 3 357.451 -0.929 20 0 FBADHN CCOC[C@H](O)CN1CCOC[C@@]2(CC(=O)N(CC(OC)OC)C2)C1 ZINC001277721616 845984632 /nfs/dbraw/zinc/98/46/32/845984632.db2.gz HKQMQEACDROGDI-PBHICJAKSA-N 0 3 360.451 -0.446 20 0 FBADHN CCOC[C@H](O)CN1CCOC[C@]2(CC(=O)N(CC(OC)OC)C2)C1 ZINC001277721617 845984070 /nfs/dbraw/zinc/98/40/70/845984070.db2.gz HKQMQEACDROGDI-RHSMWYFYSA-N 0 3 360.451 -0.446 20 0 FBADHN CCOC[C@@H](O)CN1CCOC[C@]2(CC(=O)N(CC(OC)OC)C2)C1 ZINC001277721618 845984573 /nfs/dbraw/zinc/98/45/73/845984573.db2.gz HKQMQEACDROGDI-WMLDXEAASA-N 0 3 360.451 -0.446 20 0 FBADHN CCOC[C@@H](O)CN1CCOC[C@@]2(CC(=O)N(CC(OC)OC)C2)C1 ZINC001277721619 845984821 /nfs/dbraw/zinc/98/48/21/845984821.db2.gz HKQMQEACDROGDI-YOEHRIQHSA-N 0 3 360.451 -0.446 20 0 FBADHN CCOC[C@@H](O)CN1CCOC[C@]2(CC(=O)N(COCCOC)C2)C1 ZINC001277723965 845985809 /nfs/dbraw/zinc/98/58/09/845985809.db2.gz QQIDLDRWZHYFCT-DOTOQJQBSA-N 0 3 360.451 -0.445 20 0 FBADHN CCOC[C@H](O)CN1CCOC[C@]2(CC(=O)N(COCCOC)C2)C1 ZINC001277723968 845986080 /nfs/dbraw/zinc/98/60/80/845986080.db2.gz QQIDLDRWZHYFCT-NVXWUHKLSA-N 0 3 360.451 -0.445 20 0 FBADHN CCOC[C@@H](O)CN1CCOC[C@@]2(CC(=O)N(COCCOC)C2)C1 ZINC001277723970 845986263 /nfs/dbraw/zinc/98/62/63/845986263.db2.gz QQIDLDRWZHYFCT-RDJZCZTQSA-N 0 3 360.451 -0.445 20 0 FBADHN CCOC[C@H](O)CN1CCOC[C@@]2(CC(=O)N(COCCOC)C2)C1 ZINC001277723971 845985710 /nfs/dbraw/zinc/98/57/10/845985710.db2.gz QQIDLDRWZHYFCT-WBVHZDCISA-N 0 3 360.451 -0.445 20 0 FBADHN CCOC[C@H](O)CN1CC[C@]2(C1)CN(CC(=O)OC(C)C)C(=O)CO2 ZINC001277724397 845986090 /nfs/dbraw/zinc/98/60/90/845986090.db2.gz RIHCRGQBNRGFRF-PBHICJAKSA-N 0 3 358.435 -0.361 20 0 FBADHN 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COC(=O)[C@H](O)CN1CCCC[C@@]12CC(=O)N(Cc1cncn1C)C2 ZINC001277774129 845994075 /nfs/dbraw/zinc/99/40/75/845994075.db2.gz FTJNGVCVNCRCCU-PBHICJAKSA-N 0 3 350.419 -0.089 20 0 FBADHN COC(=O)[C@H](O)CN1CCCC[C@]12CC(=O)N(Cc1cncn1C)C2 ZINC001277774131 845993954 /nfs/dbraw/zinc/99/39/54/845993954.db2.gz FTJNGVCVNCRCCU-RHSMWYFYSA-N 0 3 350.419 -0.089 20 0 FBADHN COC(=O)[C@@H](O)CN1CCCC[C@]12CC(=O)N(Cc1cncn1C)C2 ZINC001277774134 845994258 /nfs/dbraw/zinc/99/42/58/845994258.db2.gz FTJNGVCVNCRCCU-WMLDXEAASA-N 0 3 350.419 -0.089 20 0 FBADHN COC(=O)[C@@H](O)CN1CCCC[C@@]12CC(=O)N(Cc1cncn1C)C2 ZINC001277774137 845993694 /nfs/dbraw/zinc/99/36/94/845993694.db2.gz FTJNGVCVNCRCCU-YOEHRIQHSA-N 0 3 350.419 -0.089 20 0 FBADHN COC(=O)[C@@H](O)CN1CCCC[C@]12CC(=O)N(Cc1nncn1C)C2 ZINC001277774567 845994005 /nfs/dbraw/zinc/99/40/05/845994005.db2.gz YAOQEMXRHSUBCP-BLLLJJGKSA-N 0 3 351.407 -0.694 20 0 FBADHN COC(=O)[C@@H](O)CN1CCCC[C@@]12CC(=O)N(Cc1nncn1C)C2 ZINC001277774568 845993648 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FBADHN CNC(=O)C(C)(C)NC(=O)[C@H]1CC12CCN(C[C@@H](O)C(=O)OC)CC2 ZINC001277774664 845993990 /nfs/dbraw/zinc/99/39/90/845993990.db2.gz ZHHBKARRFZKYJW-VXGBXAGGSA-N 0 3 355.435 -0.737 20 0 FBADHN COC(=O)[C@@H](O)CN1CCC2(CCN(Cc3cncn3C)C2=O)CC1 ZINC001277775679 845994971 /nfs/dbraw/zinc/99/49/71/845994971.db2.gz OQBMAKNQTJQDIP-AWEZNQCLSA-N 0 3 350.419 -0.232 20 0 FBADHN COC(=O)[C@H](O)CN1CCC2(CCN(Cc3cncn3C)C2=O)CC1 ZINC001277775682 845994898 /nfs/dbraw/zinc/99/48/98/845994898.db2.gz OQBMAKNQTJQDIP-CQSZACIVSA-N 0 3 350.419 -0.232 20 0 FBADHN COC(=O)[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cc(C)nn1C ZINC001277775949 845994869 /nfs/dbraw/zinc/99/48/69/845994869.db2.gz PADJSTWVHGIXHP-KFWWJZLASA-N 0 3 350.419 -0.172 20 0 FBADHN COC(=O)[C@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cc(C)nn1C ZINC001277775951 845995165 /nfs/dbraw/zinc/99/51/65/845995165.db2.gz PADJSTWVHGIXHP-RBSFLKMASA-N 0 3 350.419 -0.172 20 0 FBADHN COC(=O)[C@H](O)CN1CCC2(C[C@H]2C(=O)NC[C@H]2CCC(=O)N2)CC1 ZINC001277777174 845995224 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FBADHN CCCN(C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(C)=O)C[C@H]32)C1 ZINC001279723129 846923020 /nfs/dbraw/zinc/92/30/20/846923020.db2.gz RMTQABQMAVNBSV-KFWWJZLASA-N 0 3 352.435 -0.019 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(C)=O)C[C@H]32)C1 ZINC001279723130 846923448 /nfs/dbraw/zinc/92/34/48/846923448.db2.gz RMTQABQMAVNBSV-ZNMIVQPWSA-N 0 3 352.435 -0.019 20 0 FBADHN COC(=O)CCS(=O)(=O)N1CC2(C1)CCN(CCn1ccnc1)C2 ZINC001279768613 846929193 /nfs/dbraw/zinc/92/91/93/846929193.db2.gz NJHJPHBOLXDBLW-UHFFFAOYSA-N 0 3 356.448 -0.216 20 0 FBADHN COCCN(C)C(=O)C[C@@H]1C[C@@H]2CN(CCN3CCOCC3)C[C@@H]2O1 ZINC001279770375 846929937 /nfs/dbraw/zinc/92/99/37/846929937.db2.gz CTYKMBCUOVDENF-IKGGRYGDSA-N 0 3 355.479 -0.097 20 0 FBADHN COCCN(C)C(=O)C[C@H]1C[C@@H]2CN(CCN3CCOCC3)C[C@@H]2O1 ZINC001279770377 846930374 /nfs/dbraw/zinc/93/03/74/846930374.db2.gz CTYKMBCUOVDENF-ZACQAIPSSA-N 0 3 355.479 -0.097 20 0 FBADHN COCCN(C)C(=O)c1n[nH]c2c1CN(CCN1CCOCC1)CC2 ZINC001279770741 846930181 /nfs/dbraw/zinc/93/01/81/846930181.db2.gz FZWNFVGFUQUEFZ-UHFFFAOYSA-N 0 3 351.451 -0.182 20 0 FBADHN O=C(C[C@H]1C[C@@H]2CN(CCN3CCOCC3)C[C@@H]2O1)Nc1nnco1 ZINC001279771456 846929901 /nfs/dbraw/zinc/92/99/01/846929901.db2.gz JMZXNOOYNPSLAX-MCIONIFRSA-N 0 3 351.407 -0.180 20 0 FBADHN O=C(C[C@@H]1C[C@@H]2CN(CCN3CCOCC3)C[C@@H]2O1)Nc1nnco1 ZINC001279771457 846929791 /nfs/dbraw/zinc/92/97/91/846929791.db2.gz JMZXNOOYNPSLAX-RDBSUJKOSA-N 0 3 351.407 -0.180 20 0 FBADHN O=C(C[C@@H]1C[C@@H]2CN(CCN3CCOCC3)C[C@@H]2O1)NCC1COC1 ZINC001279772586 846930216 /nfs/dbraw/zinc/93/02/16/846930216.db2.gz RBGWPVDYTHQHHV-IKGGRYGDSA-N 0 3 353.463 -0.439 20 0 FBADHN O=C(C[C@H]1C[C@@H]2CN(CCN3CCOCC3)C[C@@H]2O1)NCC1COC1 ZINC001279772588 846930338 /nfs/dbraw/zinc/93/03/38/846930338.db2.gz RBGWPVDYTHQHHV-ZACQAIPSSA-N 0 3 353.463 -0.439 20 0 FBADHN COCCN(C)C(=O)[C@@H]1COCCC12CN(CCN1CCOCC1)C2 ZINC001279772769 846930045 /nfs/dbraw/zinc/93/00/45/846930045.db2.gz RUXZLFJJIYSDGQ-INIZCTEOSA-N 0 3 355.479 -0.238 20 0 FBADHN COCCN(C)C(=O)[C@H]1COCCC12CN(CCN1CCOCC1)C2 ZINC001279772770 846929951 /nfs/dbraw/zinc/92/99/51/846929951.db2.gz RUXZLFJJIYSDGQ-MRXNPFEDSA-N 0 3 355.479 -0.238 20 0 FBADHN O=C(NCC1COC1)[C@@H]1COCCC12CN(CCN1CCOCC1)C2 ZINC001279773072 846929981 /nfs/dbraw/zinc/92/99/81/846929981.db2.gz ZVRRAYWMOLYZDV-INIZCTEOSA-N 0 3 353.463 -0.580 20 0 FBADHN O=C(NCC1COC1)[C@H]1COCCC12CN(CCN1CCOCC1)C2 ZINC001279773073 846929762 /nfs/dbraw/zinc/92/97/62/846929762.db2.gz ZVRRAYWMOLYZDV-MRXNPFEDSA-N 0 3 353.463 -0.580 20 0 FBADHN Cn1cncc1CNCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001279773478 846930844 /nfs/dbraw/zinc/93/08/44/846930844.db2.gz PXZJSHCXXKBHCY-CWRNSKLLSA-N 0 3 352.435 -0.618 20 0 FBADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)NC1CC1 ZINC001279773638 846930998 /nfs/dbraw/zinc/93/09/98/846930998.db2.gz VYLZWJIBUGGYNR-BFJAYTPKSA-N 0 3 353.463 -0.121 20 0 FBADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)NC1CC1 ZINC001279773639 846931382 /nfs/dbraw/zinc/93/13/82/846931382.db2.gz VYLZWJIBUGGYNR-DARAHFNDSA-N 0 3 353.463 -0.121 20 0 FBADHN COCCn1cc(CNC23CC(C(=O)NCCS(C)(=O)=O)(C2)C3)cn1 ZINC001279774849 846930777 /nfs/dbraw/zinc/93/07/77/846930777.db2.gz CPGZRIRTTYQAFD-UHFFFAOYSA-N 0 3 370.475 -0.297 20 0 FBADHN COC(C)(C)CCN1C[C@@H]2C(C(=O)NCCn3ccnn3)=NO[C@@H]2C1 ZINC001279825661 846934927 /nfs/dbraw/zinc/93/49/27/846934927.db2.gz XDCOCXHRXDRUMK-QWHCGFSZSA-N 0 3 350.423 -0.104 20 0 FBADHN Cc1nsc(C)c1CNCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001279830496 846934454 /nfs/dbraw/zinc/93/44/54/846934454.db2.gz CZPGPAIDEKVUKJ-UONOGXRCSA-N 0 3 370.475 -0.297 20 0 FBADHN O=C(CNCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCCC1 ZINC001279830604 846934427 /nfs/dbraw/zinc/93/44/27/846934427.db2.gz HPTZEGMUVFSHJT-OAGGEKHMSA-N 0 3 353.463 -0.023 20 0 FBADHN Cc1ccncc1CNCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001279830605 846934542 /nfs/dbraw/zinc/93/45/42/846934542.db2.gz HQNSJYDWORPUBG-LSDHHAIUSA-N 0 3 350.419 -0.667 20 0 FBADHN Cc1nn(C)cc1CNCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001279830678 846934300 /nfs/dbraw/zinc/93/43/00/846934300.db2.gz KAWUGDWZOIRHGB-KGLIPLIRSA-N 0 3 351.451 -0.459 20 0 FBADHN CC[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1cc(=O)n(C)c(=O)n1C ZINC001279831008 846934315 /nfs/dbraw/zinc/93/43/15/846934315.db2.gz SFTHSTDCDCRQNA-TZMCWYRMSA-N 0 3 352.435 -0.959 20 0 FBADHN Cc1nc(C)c(CNCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)s1 ZINC001279831015 846934331 /nfs/dbraw/zinc/93/43/31/846934331.db2.gz SPAJIUSXLIPOHL-QWHCGFSZSA-N 0 3 370.475 -0.297 20 0 FBADHN Cc1[nH]ncc1CN1C[C@@H]2C(C(=O)NCCS(C)(=O)=O)=NO[C@@H]2C1 ZINC001279867267 846938486 /nfs/dbraw/zinc/93/84/86/846938486.db2.gz AOAHINQOCKOFOC-NWDGAFQWSA-N 0 3 355.420 -0.934 20 0 FBADHN CN(C)c1ncc(CNC23CC(C(=O)NCCS(C)(=O)=O)(C2)C3)cn1 ZINC001279879696 846939101 /nfs/dbraw/zinc/93/91/01/846939101.db2.gz OIXWUBWLJJBVPF-UHFFFAOYSA-N 0 3 367.475 -0.284 20 0 FBADHN COC(=O)[C@H](C)NC(=O)N1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279881437 846939480 /nfs/dbraw/zinc/93/94/80/846939480.db2.gz CUNTVFZGQMQMAF-MELADBBJSA-N 0 3 354.451 -0.011 20 0 FBADHN COC(=O)CCCN1C[C@H]2C[C@H](CC(=O)NCC(=O)N(C)C)O[C@H]2C1 ZINC001279883067 846940849 /nfs/dbraw/zinc/94/08/49/846940849.db2.gz AOIXOOCQARLXGV-MCIONIFRSA-N 0 3 355.435 -0.377 20 0 FBADHN COC(=O)CCCN1C[C@H]2C[C@@H](CC(=O)NCC(=O)N(C)C)O[C@H]2C1 ZINC001279883068 846940659 /nfs/dbraw/zinc/94/06/59/846940659.db2.gz AOIXOOCQARLXGV-RDBSUJKOSA-N 0 3 355.435 -0.377 20 0 FBADHN COC(=O)CCCN1C[C@H]2C[C@H](CC(=O)Nc3nnnn3C)O[C@H]2C1 ZINC001279886231 846940258 /nfs/dbraw/zinc/94/02/58/846940258.db2.gz ZHILZOCTXNVTCQ-UTUOFQBUSA-N 0 3 352.395 -0.419 20 0 FBADHN COC(=O)CCCN1C[C@H]2C[C@@H](CC(=O)Nc3nnnn3C)O[C@H]2C1 ZINC001279886232 846940567 /nfs/dbraw/zinc/94/05/67/846940567.db2.gz ZHILZOCTXNVTCQ-WOPDTQHZSA-N 0 3 352.395 -0.419 20 0 FBADHN O=C(C1=NO[C@@H]2CN(C[C@H]3CCOC3)C[C@H]12)N1CC(N2CC(F)C2)C1 ZINC001279895104 846942060 /nfs/dbraw/zinc/94/20/60/846942060.db2.gz WJIYSHDHPVQOOR-BYCMXARLSA-N 0 3 352.410 -0.426 20 0 FBADHN O=C(C1=NO[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]12)N1CC(N2CC(F)C2)C1 ZINC001279895105 846941676 /nfs/dbraw/zinc/94/16/76/846941676.db2.gz WJIYSHDHPVQOOR-TUKIKUTGSA-N 0 3 352.410 -0.426 20 0 FBADHN CN(C)C(=O)CNC(=O)C1=NO[C@@H]2CN(CCC3CCOCC3)C[C@H]12 ZINC001279896616 846942142 /nfs/dbraw/zinc/94/21/42/846942142.db2.gz OBOYIWDDYVHSHA-UONOGXRCSA-N 0 3 352.435 -0.306 20 0 FBADHN CN(C)C(=O)CNC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@H]2CCCO[C@H]21 ZINC001279912465 846945783 /nfs/dbraw/zinc/94/57/83/846945783.db2.gz DEDYWQJDKUDVGU-DVOMOZLQSA-N 0 3 354.451 -0.994 20 0 FBADHN CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CC(N2CC(F)C2)C1 ZINC001279914625 846946495 /nfs/dbraw/zinc/94/64/95/846946495.db2.gz SDCXRGOXMQVLBZ-FVCICTRLSA-N 0 3 352.454 -0.103 20 0 FBADHN CN(C)C(=O)CNC(=O)[C@H]1CN(Cc2c[nH]nn2)C[C@H]2CCCO[C@H]21 ZINC001279927406 846948610 /nfs/dbraw/zinc/94/86/10/846948610.db2.gz WWEJLIPYUSSDAL-OSAQELSMSA-N 0 3 350.423 -0.764 20 0 FBADHN Cc1[nH]c(=O)[nH]c(=O)c1CNC12CC(C(=O)NCCS(C)(=O)=O)(C1)C2 ZINC001279928150 846948636 /nfs/dbraw/zinc/94/86/36/846948636.db2.gz FBJIQEQPYPLARV-UHFFFAOYSA-N 0 3 370.431 -0.631 20 0 FBADHN COC(=O)CNC(=S)N1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001280003568 846953465 /nfs/dbraw/zinc/95/34/65/846953465.db2.gz ARZBNKKKYXZUOE-UHFFFAOYSA-N 0 3 356.492 -0.090 20 0 FBADHN COC(=O)CNC(=S)N1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001280004318 846954241 /nfs/dbraw/zinc/95/42/41/846954241.db2.gz VKTBWEBHPMPESC-BETUJISGSA-N 0 3 356.492 -0.234 20 0 FBADHN CN(C)C(=O)CN1CC[C@]2(C1)CCCN(CC(=O)N1CCOCC1)C2 ZINC001280019959 846958997 /nfs/dbraw/zinc/95/89/97/846958997.db2.gz DZDLXYQACDPJAC-GOSISDBHSA-N 0 3 352.479 -0.279 20 0 FBADHN CN(C)C(=O)CN1CC[C@@]2(C1)CCCN(CC(=O)N1CCOCC1)C2 ZINC001280019960 846958312 /nfs/dbraw/zinc/95/83/12/846958312.db2.gz DZDLXYQACDPJAC-SFHVURJKSA-N 0 3 352.479 -0.279 20 0 FBADHN CN(C)S(=O)(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280021545 846959103 /nfs/dbraw/zinc/95/91/03/846959103.db2.gz KZQNAPMKGZPPJG-GASCZTMLSA-N 0 3 374.507 -0.705 20 0 FBADHN COC(=O)[C@@H](C)CN1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NCCS(C)(=O)=O ZINC001280025190 846959727 /nfs/dbraw/zinc/95/97/27/846959727.db2.gz AEKXWCRUKAJWSZ-FQUUOJAGSA-N 0 3 360.476 -0.086 20 0 FBADHN COC(=O)[C@H](C)CN1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NCCS(C)(=O)=O ZINC001280025191 846959807 /nfs/dbraw/zinc/95/98/07/846959807.db2.gz AEKXWCRUKAJWSZ-YIYPIFLZSA-N 0 3 360.476 -0.086 20 0 FBADHN COC(=O)[C@H](C)CN1CC2(C1)CCOC[C@@H]2C(=O)Nc1nnnn1C ZINC001280025311 846959845 /nfs/dbraw/zinc/95/98/45/846959845.db2.gz LRKFWPNJVQGTTO-GHMZBOCLSA-N 0 3 352.395 -0.704 20 0 FBADHN COC(=O)[C@H](C)CN1CC2(C1)CCOC[C@H]2C(=O)Nc1nnnn1C ZINC001280025312 846960486 /nfs/dbraw/zinc/96/04/86/846960486.db2.gz LRKFWPNJVQGTTO-MNOVXSKESA-N 0 3 352.395 -0.704 20 0 FBADHN COC(=O)[C@@H](C)CN1CC2(C1)CCOC[C@H]2C(=O)Nc1nnnn1C ZINC001280025313 846960047 /nfs/dbraw/zinc/96/00/47/846960047.db2.gz LRKFWPNJVQGTTO-QWRGUYRKSA-N 0 3 352.395 -0.704 20 0 FBADHN COC(=O)[C@@H](C)CN1CC2(C1)CCOC[C@@H]2C(=O)Nc1nnnn1C ZINC001280025314 846960310 /nfs/dbraw/zinc/96/03/10/846960310.db2.gz LRKFWPNJVQGTTO-WDEREUQCSA-N 0 3 352.395 -0.704 20 0 FBADHN COC(=O)[C@H](C)CN1CC2(C1)CCOC[C@@H]2C(=O)NCC(=O)N(C)C ZINC001280025480 846959789 /nfs/dbraw/zinc/95/97/89/846959789.db2.gz FFYWCGYQCZVUPT-CHWSQXEVSA-N 0 3 355.435 -0.662 20 0 FBADHN COC(=O)[C@H](C)CN1CC2(C1)CCOC[C@H]2C(=O)NCC(=O)N(C)C ZINC001280025481 846960367 /nfs/dbraw/zinc/96/03/67/846960367.db2.gz FFYWCGYQCZVUPT-OLZOCXBDSA-N 0 3 355.435 -0.662 20 0 FBADHN COC(=O)[C@@H](C)CN1CC2(C1)CCOC[C@@H]2C(=O)NCC(=O)N(C)C ZINC001280025482 846960103 /nfs/dbraw/zinc/96/01/03/846960103.db2.gz FFYWCGYQCZVUPT-QWHCGFSZSA-N 0 3 355.435 -0.662 20 0 FBADHN COC(=O)[C@@H](C)CN1CC2(C1)CCOC[C@H]2C(=O)NCC(=O)N(C)C ZINC001280025483 846959611 /nfs/dbraw/zinc/95/96/11/846959611.db2.gz FFYWCGYQCZVUPT-STQMWFEESA-N 0 3 355.435 -0.662 20 0 FBADHN Cn1cnc(S(=O)(=O)N2CC3(C2)CCN(C[C@H]2COCCO2)CC3)c1 ZINC001280035681 846963646 /nfs/dbraw/zinc/96/36/46/846963646.db2.gz XKGHERLDDKCGSX-AWEZNQCLSA-N 0 3 370.475 -0.078 20 0 FBADHN Cn1cnc(S(=O)(=O)N2CC3(C2)CCN(C[C@@H]2COCCO2)CC3)c1 ZINC001280035682 846963343 /nfs/dbraw/zinc/96/33/43/846963343.db2.gz XKGHERLDDKCGSX-CQSZACIVSA-N 0 3 370.475 -0.078 20 0 FBADHN CN1CCC(NC(=O)c2nnc3n2CCN(Cc2csnn2)C3)CC1 ZINC001280053477 846966395 /nfs/dbraw/zinc/96/63/95/846966395.db2.gz NGEORHAPDAMOLL-UHFFFAOYSA-N 0 3 362.463 -0.031 20 0 FBADHN COC(C)(C)CN1C[C@@H]2OCCN(C(=O)Cn3cccnc3=O)[C@H]2C1 ZINC001280057390 846967902 /nfs/dbraw/zinc/96/79/02/846967902.db2.gz ZXLLLOJAZDNJCT-KBPBESRZSA-N 0 3 350.419 -0.420 20 0 FBADHN COC(C)(C)CN1C[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cccnc1=O ZINC001280057392 846968344 /nfs/dbraw/zinc/96/83/44/846968344.db2.gz ZXLLLOJAZDNJCT-KGLIPLIRSA-N 0 3 350.419 -0.420 20 0 FBADHN COCCOCN1CC2(C1)CCN(CC(=O)N1CCN(C)CC1)CC2 ZINC001280073685 846971397 /nfs/dbraw/zinc/97/13/97/846971397.db2.gz HWGFNNQDKPPTRJ-UHFFFAOYSA-N 0 3 354.495 -0.221 20 0 FBADHN CN(C)C(=O)CN1CC2(C1)CCN(CC(=O)N1CCN(C)CC1)CC2 ZINC001280073886 846971352 /nfs/dbraw/zinc/97/13/52/846971352.db2.gz IXEHGEKRAPUGTQ-UHFFFAOYSA-N 0 3 351.495 -0.754 20 0 FBADHN CN(C)C(=O)CCN1CCCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1 ZINC001280074192 846971469 /nfs/dbraw/zinc/97/14/69/846971469.db2.gz AUVQIITZPSCPPG-UHFFFAOYSA-N 0 3 369.491 -0.015 20 0 FBADHN CN(C)C(=O)CCN1CC[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]21 ZINC001280074292 846972065 /nfs/dbraw/zinc/97/20/65/846972065.db2.gz CBACKCBKLPYMPX-QWHCGFSZSA-N 0 3 355.464 -0.407 20 0 FBADHN CN(C)C(=O)CCN1CCC[C@]2(C1)CN(S(=O)(=O)N(C)C)CCO2 ZINC001280075639 846972310 /nfs/dbraw/zinc/97/23/10/846972310.db2.gz RZKAAYDFMIPLOU-HNNXBMFYSA-N 0 3 362.496 -0.562 20 0 FBADHN CN(C)C(=O)CCN1CCC[C@@]2(C1)CN(S(=O)(=O)N(C)C)CCO2 ZINC001280075640 846972133 /nfs/dbraw/zinc/97/21/33/846972133.db2.gz RZKAAYDFMIPLOU-OAHLLOKOSA-N 0 3 362.496 -0.562 20 0 FBADHN CC(=O)N1CCC[C@H](CN2CC3(C[C@H]3C(=O)NCC(=O)N(C)C)C2)C1 ZINC001280080501 846972915 /nfs/dbraw/zinc/97/29/15/846972915.db2.gz GBWPPWVPRLPOHX-CABCVRRESA-N 0 3 350.463 -0.229 20 0 FBADHN CC(=O)N1CCC[C@@H](CN2CC3(C[C@H]3C(=O)NCC(=O)N(C)C)C2)C1 ZINC001280080502 846973098 /nfs/dbraw/zinc/97/30/98/846973098.db2.gz GBWPPWVPRLPOHX-GJZGRUSLSA-N 0 3 350.463 -0.229 20 0 FBADHN CC(=O)N1CCC[C@H](CN2CC3(C[C@@H]3C(=O)NCC(=O)N(C)C)C2)C1 ZINC001280080503 846973047 /nfs/dbraw/zinc/97/30/47/846973047.db2.gz GBWPPWVPRLPOHX-HUUCEWRRSA-N 0 3 350.463 -0.229 20 0 FBADHN CC(=O)N1CCC[C@@H](CN2CC3(C[C@@H]3C(=O)NCC(=O)N(C)C)C2)C1 ZINC001280080504 846973002 /nfs/dbraw/zinc/97/30/02/846973002.db2.gz GBWPPWVPRLPOHX-LSDHHAIUSA-N 0 3 350.463 -0.229 20 0 FBADHN CC(=O)N1CCC[C@H](CN2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)C1 ZINC001280081735 846973945 /nfs/dbraw/zinc/97/39/45/846973945.db2.gz WOXDULKRQFZUBD-BFYDXBDKSA-N 0 3 371.503 -0.272 20 0 FBADHN CC(=O)N1CCC[C@@H](CN2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)C1 ZINC001280081736 846974187 /nfs/dbraw/zinc/97/41/87/846974187.db2.gz WOXDULKRQFZUBD-ZMSDIMECSA-N 0 3 371.503 -0.272 20 0 FBADHN COCOCCCN1CC2(C1)SCC[C@@H]2C(=O)Nc1nnnn1C ZINC001280088441 846974508 /nfs/dbraw/zinc/97/45/08/846974508.db2.gz DECDLRMICXGUPG-LLVKDONJSA-N 0 3 356.452 -0.033 20 0 FBADHN COCOCCCN1CC2(C1)SCC[C@H]2C(=O)Nc1nnnn1C ZINC001280088442 846974353 /nfs/dbraw/zinc/97/43/53/846974353.db2.gz DECDLRMICXGUPG-NSHDSACASA-N 0 3 356.452 -0.033 20 0 FBADHN CCOC(=O)CCN1C[C@H]2C[C@H](CC(=O)NCC(=O)N(C)C)O[C@H]2C1 ZINC001280091161 846976054 /nfs/dbraw/zinc/97/60/54/846976054.db2.gz JAVGLGGEZZPPAY-MCIONIFRSA-N 0 3 355.435 -0.377 20 0 FBADHN CCOC(=O)CCN1C[C@H]2C[C@@H](CC(=O)NCC(=O)N(C)C)O[C@H]2C1 ZINC001280091162 846975952 /nfs/dbraw/zinc/97/59/52/846975952.db2.gz JAVGLGGEZZPPAY-RDBSUJKOSA-N 0 3 355.435 -0.377 20 0 FBADHN CCOC(=O)CCN1C[C@H]2C[C@H](CC(=O)Nc3nnnn3C)O[C@H]2C1 ZINC001280091426 846976072 /nfs/dbraw/zinc/97/60/72/846976072.db2.gz QDGGESAIHBTHRR-UTUOFQBUSA-N 0 3 352.395 -0.419 20 0 FBADHN CCOC(=O)CCN1C[C@H]2C[C@@H](CC(=O)Nc3nnnn3C)O[C@H]2C1 ZINC001280091427 846975587 /nfs/dbraw/zinc/97/55/87/846975587.db2.gz QDGGESAIHBTHRR-WOPDTQHZSA-N 0 3 352.395 -0.419 20 0 FBADHN CCOC(=O)CCN1CC2(C1)CCOC[C@@H]2C(=O)NCC(=O)N(C)C ZINC001280091542 846975424 /nfs/dbraw/zinc/97/54/24/846975424.db2.gz UHZLCKFEYUBOHG-CYBMUJFWSA-N 0 3 355.435 -0.518 20 0 FBADHN CCOC(=O)CCN1CC2(C1)CCOC[C@H]2C(=O)NCC(=O)N(C)C ZINC001280091543 846975858 /nfs/dbraw/zinc/97/58/58/846975858.db2.gz UHZLCKFEYUBOHG-ZDUSSCGKSA-N 0 3 355.435 -0.518 20 0 FBADHN COCCCN1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NCCS(C)(=O)=O)C1 ZINC001280097693 846976802 /nfs/dbraw/zinc/97/68/02/846976802.db2.gz XMZCSDKMYOLETR-QLFBSQMISA-N 0 3 362.492 -0.089 20 0 FBADHN CCOC(C)(C)CN1C[C@@H]2C(C(=O)NCCn3ccnn3)=NO[C@@H]2C1 ZINC001280101079 846976589 /nfs/dbraw/zinc/97/65/89/846976589.db2.gz QLFNPKBHQAQDLE-QWHCGFSZSA-N 0 3 350.423 -0.104 20 0 FBADHN Cn1cnc(S(=O)(=O)N2C[C@H]3CN(c4cncn4C)C[C@@H](C2)O3)c1 ZINC001280121169 846977859 /nfs/dbraw/zinc/97/78/59/846977859.db2.gz VZRMYRPFYBGDHF-TXEJJXNPSA-N 0 3 352.420 -0.568 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(c2cncn2C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280121171 846977936 /nfs/dbraw/zinc/97/79/36/846977936.db2.gz WBDBBOUIDUHYAY-HNNXBMFYSA-N 0 3 370.479 -0.613 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(c2cncn2C)C[C@]2(CCCC(=O)N2)C1 ZINC001280121172 846977867 /nfs/dbraw/zinc/97/78/67/846977867.db2.gz WBDBBOUIDUHYAY-OAHLLOKOSA-N 0 3 370.479 -0.613 20 0 FBADHN Cn1cnc(S(=O)(=O)N2CCO[C@H]3CN(c4cncn4C)C[C@H]32)c1 ZINC001280121368 846978198 /nfs/dbraw/zinc/97/81/98/846978198.db2.gz YYWZPTBCOQHYHR-NEPJUHHUSA-N 0 3 352.420 -0.568 20 0 FBADHN Cn1cnc(S(=O)(=O)N2CCO[C@H]3CN(c4cncn4C)C[C@@H]32)c1 ZINC001280121369 846977910 /nfs/dbraw/zinc/97/79/10/846977910.db2.gz YYWZPTBCOQHYHR-RYUDHWBXSA-N 0 3 352.420 -0.568 20 0 FBADHN CC1(C)OCC(CN2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CO1 ZINC001280126858 836147597 /nfs/dbraw/zinc/14/75/97/836147597.db2.gz QOBJJMUTRYXEKB-CZUORRHYSA-N 0 3 360.476 -0.132 20 0 FBADHN CC1(C)OCC(CN2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CO1 ZINC001280127454 846978278 /nfs/dbraw/zinc/97/82/78/846978278.db2.gz UNAJZXYVOPDDKJ-UONOGXRCSA-N 0 3 353.419 -0.165 20 0 FBADHN CCOC(=O)CN1CCn2c(nnc2C(=O)NC2CCN(C)CC2)C1 ZINC001280130562 846978919 /nfs/dbraw/zinc/97/89/19/846978919.db2.gz JTKBGKQMVZMVDY-UHFFFAOYSA-N 0 3 350.423 -0.519 20 0 FBADHN CS(=O)(=O)N1CCC(CN2CC3(C[C@H]3C(=O)NCC3COC3)C2)CC1 ZINC001280134332 846980037 /nfs/dbraw/zinc/98/00/37/846980037.db2.gz CSICBCAUOBVDGW-HNNXBMFYSA-N 0 3 371.503 -0.258 20 0 FBADHN CS(=O)(=O)N1CCC(CN2CC3(C[C@@H]3C(=O)NCC3COC3)C2)CC1 ZINC001280134333 846980574 /nfs/dbraw/zinc/98/05/74/846980574.db2.gz CSICBCAUOBVDGW-OAHLLOKOSA-N 0 3 371.503 -0.258 20 0 FBADHN CCC(=O)CN1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001280147216 846982904 /nfs/dbraw/zinc/98/29/04/846982904.db2.gz VXJVCSUJWKTDRN-GJZGRUSLSA-N 0 3 350.463 -0.434 20 0 FBADHN CCC(=O)CN1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001280147218 846982147 /nfs/dbraw/zinc/98/21/47/846982147.db2.gz VXJVCSUJWKTDRN-HUUCEWRRSA-N 0 3 350.463 -0.434 20 0 FBADHN COC(=O)CCN1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CCN3CC4)[C@H]2C1 ZINC001280153151 846982362 /nfs/dbraw/zinc/98/23/62/846982362.db2.gz APUUTEHREGQWAK-JYJNAYRXSA-N 0 3 351.447 -0.055 20 0 FBADHN COC(=O)CCN1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CCN1CC2 ZINC001280153152 846982631 /nfs/dbraw/zinc/98/26/31/846982631.db2.gz APUUTEHREGQWAK-OAGGEKHMSA-N 0 3 351.447 -0.055 20 0 FBADHN COC(=O)CCN1C[C@@H]2OCCN(C(=O)[C@H]3CC4CCN3CC4)[C@H]2C1 ZINC001280153153 846982758 /nfs/dbraw/zinc/98/27/58/846982758.db2.gz APUUTEHREGQWAK-PMPSAXMXSA-N 0 3 351.447 -0.055 20 0 FBADHN COC(=O)CCN1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CCN1CC2 ZINC001280153154 846982830 /nfs/dbraw/zinc/98/28/30/846982830.db2.gz APUUTEHREGQWAK-XHSDSOJGSA-N 0 3 351.447 -0.055 20 0 FBADHN COC(=O)CCN1CCC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2 ZINC001280153204 846982494 /nfs/dbraw/zinc/98/24/94/846982494.db2.gz CUAXYUWGGAIAAR-INIZCTEOSA-N 0 3 351.407 -0.315 20 0 FBADHN COC(=O)CCN1CCC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2 ZINC001280153205 846982926 /nfs/dbraw/zinc/98/29/26/846982926.db2.gz CUAXYUWGGAIAAR-MRXNPFEDSA-N 0 3 351.407 -0.315 20 0 FBADHN CC(=O)[C@@H](C)N1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001280160404 846983567 /nfs/dbraw/zinc/98/35/67/846983567.db2.gz LABLJPFUHIZDSV-BPLDGKMQSA-N 0 3 350.463 -0.436 20 0 FBADHN CC(=O)[C@H](C)N1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001280160406 846984335 /nfs/dbraw/zinc/98/43/35/846984335.db2.gz LABLJPFUHIZDSV-NWANDNLSSA-N 0 3 350.463 -0.436 20 0 FBADHN CC(=O)[C@H](C)N1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001280160409 846983523 /nfs/dbraw/zinc/98/35/23/846983523.db2.gz LABLJPFUHIZDSV-QEJZJMRPSA-N 0 3 350.463 -0.436 20 0 FBADHN CC(=O)[C@@H](C)N1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001280160411 846983539 /nfs/dbraw/zinc/98/35/39/846983539.db2.gz LABLJPFUHIZDSV-SNPRPXQTSA-N 0 3 350.463 -0.436 20 0 FBADHN CC1(C)[C@H](C(=O)N2C[C@@H]3CCN(C4CC4)[C@@H]3C2)N2C(=O)C[C@H]2S1(=O)=O ZINC001280175680 846985260 /nfs/dbraw/zinc/98/52/60/846985260.db2.gz QOQIPAGVKUDSPQ-BTQDYEIMSA-N 0 3 367.471 -0.185 20 0 FBADHN CC1(C)[C@H](C(=O)N2C[C@H]3C[C@@H](C2)N(C2CC2)C3)N2C(=O)C[C@H]2S1(=O)=O ZINC001280176555 846984877 /nfs/dbraw/zinc/98/48/77/846984877.db2.gz WKNNFKWBHAKKAP-BQPHKTIFSA-N 0 3 367.471 -0.185 20 0 FBADHN CC1(CN2C[C@H]3CCCO[C@H]3[C@@H](C(=O)NCCS(C)(=O)=O)C2)COC1 ZINC001280180131 846984999 /nfs/dbraw/zinc/98/49/99/846984999.db2.gz BWLQTYYPAOLKNJ-QLFBSQMISA-N 0 3 374.503 -0.089 20 0 FBADHN C[C@@H](O)CN1CCC[C@]2(C1)CN(C(=O)Cn1cccnc1=O)CCO2 ZINC001280183876 846986800 /nfs/dbraw/zinc/98/68/00/846986800.db2.gz GIMJINIPJMAMMM-PBHICJAKSA-N 0 3 350.419 -0.683 20 0 FBADHN C[C@@H](O)CN1CCC[C@@]2(C1)CN(C(=O)Cn1cccnc1=O)CCO2 ZINC001280183877 846986689 /nfs/dbraw/zinc/98/66/89/846986689.db2.gz GIMJINIPJMAMMM-RHSMWYFYSA-N 0 3 350.419 -0.683 20 0 FBADHN C[C@H](O)CN1CCC[C@@]2(C1)CN(C(=O)Cn1cccnc1=O)CCO2 ZINC001280183878 846986488 /nfs/dbraw/zinc/98/64/88/846986488.db2.gz GIMJINIPJMAMMM-WMLDXEAASA-N 0 3 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352.410 -0.207 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O)N(C)C ZINC001281682999 847114888 /nfs/dbraw/zinc/11/48/88/847114888.db2.gz BBDYRXAVUZPOOJ-BZPMIXESSA-N 0 3 351.407 -0.930 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001281683005 847115199 /nfs/dbraw/zinc/11/51/99/847115199.db2.gz IIDIUSBPCLPFQX-HUUCEWRRSA-N 0 3 352.410 -0.207 20 0 FBADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001281683352 847115680 /nfs/dbraw/zinc/11/56/80/847115680.db2.gz GOLLCJXPYTUOHW-RBSFLKMASA-N 0 3 354.451 -0.975 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001281684930 847116799 /nfs/dbraw/zinc/11/67/99/847116799.db2.gz ORRKKZBWAYFSTN-TUVASFSCSA-N 0 3 353.463 -0.026 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1O)N(C)C ZINC001281685451 847117085 /nfs/dbraw/zinc/11/70/85/847117085.db2.gz RVZWEYJMPPIJNI-JLLWLGSASA-N 0 3 356.448 -0.264 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1O)N(C)C ZINC001281685612 847117128 /nfs/dbraw/zinc/11/71/28/847117128.db2.gz CXBAIKHPQSSCJD-IJLUTSLNSA-N 0 3 368.459 -0.511 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1O)N(C)C ZINC001281685966 847117220 /nfs/dbraw/zinc/11/72/20/847117220.db2.gz WSNRJDYGDHRVFA-BZPMIXESSA-N 0 3 351.407 -0.930 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1O)N(C)C ZINC001281686052 847117975 /nfs/dbraw/zinc/11/79/75/847117975.db2.gz HPVVAHMCSQQXMZ-RBSFLKMASA-N 0 3 351.451 -0.526 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1O)N(C)C ZINC001281686235 847118258 /nfs/dbraw/zinc/11/82/58/847118258.db2.gz KURZDBHKDPEORM-JHJVBQTASA-N 0 3 353.423 -0.930 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2scnc2COC)C[C@H]1O)N(C)C ZINC001281686265 847118164 /nfs/dbraw/zinc/11/81/64/847118164.db2.gz LMZKZXFGJBJODV-RAIGVLPGSA-N 0 3 370.475 -0.069 20 0 FBADHN COCCOCCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001281686327 847118585 /nfs/dbraw/zinc/11/85/85/847118585.db2.gz NXEZRHJQQQXTOG-RBSFLKMASA-N 0 3 357.451 -0.931 20 0 FBADHN COCCOCCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001281686328 847118099 /nfs/dbraw/zinc/11/80/99/847118099.db2.gz NXEZRHJQQQXTOG-RRFJBIMHSA-N 0 3 357.451 -0.931 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1O)N(C)C ZINC001281686467 847117955 /nfs/dbraw/zinc/11/79/55/847117955.db2.gz PJYHEJUXZLZVRT-JHJVBQTASA-N 0 3 354.407 -0.610 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1O)N(C)C ZINC001281686646 847118520 /nfs/dbraw/zinc/11/85/20/847118520.db2.gz RPDPGHYVNSSXPS-CKYFFXLPSA-N 0 3 357.842 -0.285 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H]1O)N(C)C ZINC001281686696 847118350 /nfs/dbraw/zinc/11/83/50/847118350.db2.gz UBYLDNPFPJQFGJ-MGPQQGTHSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1O)N(C)C ZINC001281686872 847118130 /nfs/dbraw/zinc/11/81/30/847118130.db2.gz WHUHVLBBWLWUHJ-IJLUTSLNSA-N 0 3 352.391 -0.980 20 0 FBADHN COCc1nc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)cs1 ZINC001281687626 847118074 /nfs/dbraw/zinc/11/80/74/847118074.db2.gz CJKSVMZBUKMLHF-DGCLKSJQSA-N 0 3 370.475 -0.069 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001281687801 847119456 /nfs/dbraw/zinc/11/94/56/847119456.db2.gz JORZJTBTSWQLMW-HZSPNIEDSA-N 0 3 354.451 -0.797 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001281687802 847119137 /nfs/dbraw/zinc/11/91/37/847119137.db2.gz JORZJTBTSWQLMW-MGPQQGTHSA-N 0 3 354.451 -0.797 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)nc2)C1 ZINC001281689279 847121269 /nfs/dbraw/zinc/12/12/69/847121269.db2.gz KXCOODXEKAYMHY-ZIAGYGMSSA-N 0 3 350.419 -0.267 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1)C1CCC1 ZINC001281689307 847121305 /nfs/dbraw/zinc/12/13/05/847121305.db2.gz BYNOACASAFMWDV-HUUCEWRRSA-N 0 3 350.419 -0.221 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2snnc2CC)C1 ZINC001281689762 847122357 /nfs/dbraw/zinc/12/23/57/847122357.db2.gz BSPHQOMCXKZOIV-VXGBXAGGSA-N 0 3 355.464 -0.256 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001281689912 847122488 /nfs/dbraw/zinc/12/24/88/847122488.db2.gz QLQGBGHUVXJCLT-HUUCEWRRSA-N 0 3 351.451 -0.470 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1)CC(C)(C)C ZINC001281690029 847122737 /nfs/dbraw/zinc/12/27/37/847122737.db2.gz KOIBCZUBNNDKTB-CHWSQXEVSA-N 0 3 352.439 -0.906 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001281690031 847122502 /nfs/dbraw/zinc/12/25/02/847122502.db2.gz KREQPXJVLWYDSI-GHMZBOCLSA-N 0 3 368.459 -0.511 20 0 FBADHN Cc1cc(C)n(CC(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)n1 ZINC001281690247 847122438 /nfs/dbraw/zinc/12/24/38/847122438.db2.gz VRRYOXZUWQFTIK-HUUCEWRRSA-N 0 3 351.451 -0.472 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001281691255 847124342 /nfs/dbraw/zinc/12/43/42/847124342.db2.gz PGTFUGCNPMAVPR-VXGBXAGGSA-N 0 3 357.842 -0.283 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(CC)n(C)n2)C1 ZINC001281691353 847124216 /nfs/dbraw/zinc/12/42/16/847124216.db2.gz HLHNOXKCLAQBNN-HUUCEWRRSA-N 0 3 351.451 -0.374 20 0 FBADHN COCc1ncc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)s1 ZINC001281691579 847124297 /nfs/dbraw/zinc/12/42/97/847124297.db2.gz LUFINSHFMPCZPE-VXGBXAGGSA-N 0 3 370.475 -0.069 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001281691915 847125233 /nfs/dbraw/zinc/12/52/33/847125233.db2.gz BHOSRWXRKQGUIP-RBSFLKMASA-N 0 3 353.463 -0.167 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001281691916 847125511 /nfs/dbraw/zinc/12/55/11/847125511.db2.gz BHOSRWXRKQGUIP-RRFJBIMHSA-N 0 3 353.463 -0.167 20 0 FBADHN Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1O ZINC001281692140 847125456 /nfs/dbraw/zinc/12/54/56/847125456.db2.gz HOFGYRPZDXMGAG-CHWSQXEVSA-N 0 3 351.451 -0.002 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1)N1CCCC1 ZINC001281692691 847126476 /nfs/dbraw/zinc/12/64/76/847126476.db2.gz IGEXVMWJOWNWTD-VXGBXAGGSA-N 0 3 363.405 -0.170 20 0 FBADHN C[NH+](C)C1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)CCCC1 ZINC001281692813 847126355 /nfs/dbraw/zinc/12/63/55/847126355.db2.gz MZPJOTCTVVALTR-CHWSQXEVSA-N 0 3 350.423 -0.629 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 ZINC001281693969 847127663 /nfs/dbraw/zinc/12/76/63/847127663.db2.gz YQISEULYVXBHJH-GHMZBOCLSA-N 0 3 351.394 -0.314 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1O)N(C)C ZINC001281694315 847128385 /nfs/dbraw/zinc/12/83/85/847128385.db2.gz BSCUBESDVOWPOK-HZSPNIEDSA-N 0 3 352.439 -0.914 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1O)N(C)C ZINC001281694316 847128247 /nfs/dbraw/zinc/12/82/47/847128247.db2.gz BSCUBESDVOWPOK-MGPQQGTHSA-N 0 3 352.439 -0.914 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1O)N(C)C ZINC001281694343 847128545 /nfs/dbraw/zinc/12/85/45/847128545.db2.gz CXBAIKHPQSSCJD-GRYCIOLGSA-N 0 3 368.459 -0.511 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1O)N(C)C ZINC001281694449 847128218 /nfs/dbraw/zinc/12/82/18/847128218.db2.gz GQGGQGVCJKUPCB-FRRDWIJNSA-N 0 3 353.423 -0.661 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1O)N(C)C ZINC001281694450 847128590 /nfs/dbraw/zinc/12/85/90/847128590.db2.gz GQGGQGVCJKUPCB-JHJVBQTASA-N 0 3 353.423 -0.661 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001281694793 847128641 /nfs/dbraw/zinc/12/86/41/847128641.db2.gz KMTXHQVRGISSMR-CHWSQXEVSA-N 0 3 351.451 -0.283 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1O)N(C)C ZINC001281695335 847129413 /nfs/dbraw/zinc/12/94/13/847129413.db2.gz WHUHVLBBWLWUHJ-GRYCIOLGSA-N 0 3 352.391 -0.980 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1O)N(C)C ZINC001281695471 847129621 /nfs/dbraw/zinc/12/96/21/847129621.db2.gz YUYMOAZNLBIDNP-HZSPNIEDSA-N 0 3 359.442 -0.219 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1O)N(C)C ZINC001281695473 847129625 /nfs/dbraw/zinc/12/96/25/847129625.db2.gz YUYMOAZNLBIDNP-MGPQQGTHSA-N 0 3 359.442 -0.219 20 0 FBADHN COCC1(C(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2O)CCC1 ZINC001281695799 847129288 /nfs/dbraw/zinc/12/92/88/847129288.db2.gz WFVKPOGVYYUCMX-ZIAGYGMSSA-N 0 3 353.463 -0.025 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001281696120 847129359 /nfs/dbraw/zinc/12/93/59/847129359.db2.gz BLKIHKPXRPGNCP-GHMZBOCLSA-N 0 3 352.391 -0.980 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)nn1C ZINC001281696127 847129608 /nfs/dbraw/zinc/12/96/08/847129608.db2.gz BTYHNWFXFGLPSL-CHWSQXEVSA-N 0 3 353.423 -0.930 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1 ZINC001281696458 847129571 /nfs/dbraw/zinc/12/95/71/847129571.db2.gz DPKGLVIGMWEGFP-CHWSQXEVSA-N 0 3 351.407 -0.872 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1O)N(C)C ZINC001281697453 847130263 /nfs/dbraw/zinc/13/02/63/847130263.db2.gz FSZSOZCOEWAEIU-QLFBSQMISA-N 0 3 351.451 -0.701 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1O)N(C)C ZINC001281697454 847130206 /nfs/dbraw/zinc/13/02/06/847130206.db2.gz FSZSOZCOEWAEIU-RBSFLKMASA-N 0 3 351.451 -0.701 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 ZINC001281697820 847131117 /nfs/dbraw/zinc/13/11/17/847131117.db2.gz COPFSKAKJCFDRG-CHWSQXEVSA-N 0 3 351.407 -0.872 20 0 FBADHN CCNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1O ZINC001281697895 847131551 /nfs/dbraw/zinc/13/15/51/847131551.db2.gz LQQVPVKWVGXZNN-HZSPNIEDSA-N 0 3 356.467 -0.679 20 0 FBADHN CCNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O ZINC001281697896 847131589 /nfs/dbraw/zinc/13/15/89/847131589.db2.gz LQQVPVKWVGXZNN-MGPQQGTHSA-N 0 3 356.467 -0.679 20 0 FBADHN Cc1n[nH]c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001281697965 847131328 /nfs/dbraw/zinc/13/13/28/847131328.db2.gz AYLQAZAUSXZDDI-NFAWXSAZSA-N 0 3 351.451 -0.086 20 0 FBADHN Cc1n[nH]c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001281697966 847131564 /nfs/dbraw/zinc/13/15/64/847131564.db2.gz AYLQAZAUSXZDDI-UMVBOHGHSA-N 0 3 351.451 -0.086 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O)N(C)C ZINC001281697969 847131458 /nfs/dbraw/zinc/13/14/58/847131458.db2.gz BBDYRXAVUZPOOJ-YRGRVCCFSA-N 0 3 351.407 -0.930 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cn1 ZINC001281697982 847130982 /nfs/dbraw/zinc/13/09/82/847130982.db2.gz BQHYJVQLOKTJSP-KFWWJZLASA-N 0 3 351.451 -0.209 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cn1 ZINC001281697983 847131282 /nfs/dbraw/zinc/13/12/82/847131282.db2.gz BQHYJVQLOKTJSP-RBSFLKMASA-N 0 3 351.451 -0.209 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1O)N(C)C ZINC001281698036 847131419 /nfs/dbraw/zinc/13/14/19/847131419.db2.gz CSOISONAGBKYST-JHJVBQTASA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1O)N(C)C ZINC001281698039 847131479 /nfs/dbraw/zinc/13/14/79/847131479.db2.gz CSOISONAGBKYST-UPJWGTAASA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1O)N(C)C ZINC001281698077 847131096 /nfs/dbraw/zinc/13/10/96/847131096.db2.gz DRWLXKBMOQGQSS-FMKPAKJESA-N 0 3 351.451 -0.453 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1O)N(C)C ZINC001281698080 847131220 /nfs/dbraw/zinc/13/12/20/847131220.db2.gz DRWLXKBMOQGQSS-IIAWOOMASA-N 0 3 351.451 -0.453 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001281698568 847131150 /nfs/dbraw/zinc/13/11/50/847131150.db2.gz JGNBYUPIFYVATI-NQBHXWOUSA-N 0 3 353.423 -0.689 20 0 FBADHN 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ZINC001281698930 847132224 /nfs/dbraw/zinc/13/22/24/847132224.db2.gz OVOBTFRFMXGZJQ-YUELXQCFSA-N 0 3 351.451 -0.209 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)on1 ZINC001281699102 847132505 /nfs/dbraw/zinc/13/25/05/847132505.db2.gz PWHJDEWRWVJYPU-GYSYKLTISA-N 0 3 354.407 -0.429 20 0 FBADHN COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)on1 ZINC001281699103 847132598 /nfs/dbraw/zinc/13/25/98/847132598.db2.gz PWHJDEWRWVJYPU-JTNHKYCSSA-N 0 3 354.407 -0.429 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1O)N(C)C ZINC001281699270 847132337 /nfs/dbraw/zinc/13/23/37/847132337.db2.gz VGDFCEOEILHWCC-IOASZLSFSA-N 0 3 357.451 -0.586 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1O)N(C)C ZINC001281699271 847132185 /nfs/dbraw/zinc/13/21/85/847132185.db2.gz VGDFCEOEILHWCC-XJKCOSOUSA-N 0 3 357.451 -0.586 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)nnn1C ZINC001281699457 847133326 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20 0 FBADHN CCOCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]c3C)C2)CC1 ZINC001281700713 847134077 /nfs/dbraw/zinc/13/40/77/847134077.db2.gz NPRJOQNCIQGMRZ-ZIAGYGMSSA-N 0 3 350.419 -0.235 20 0 FBADHN COCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001281700718 847134650 /nfs/dbraw/zinc/13/46/50/847134650.db2.gz NUCQEXHBINFZNH-IACUBPJLSA-N 0 3 354.407 -1.000 20 0 FBADHN COCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001281700719 847134200 /nfs/dbraw/zinc/13/42/00/847134200.db2.gz NUCQEXHBINFZNH-MRVWCRGKSA-N 0 3 354.407 -1.000 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1O ZINC001281700756 847134369 /nfs/dbraw/zinc/13/43/69/847134369.db2.gz PEQLLHXHGSNKJC-CHWSQXEVSA-N 0 3 352.439 -0.750 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1O ZINC001281700790 847134287 /nfs/dbraw/zinc/13/42/87/847134287.db2.gz QHVIIJBNSWNSMB-RBSFLKMASA-N 0 3 353.463 -0.167 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1O ZINC001281700791 847134604 /nfs/dbraw/zinc/13/46/04/847134604.db2.gz QHVIIJBNSWNSMB-RRFJBIMHSA-N 0 3 353.463 -0.167 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1O ZINC001281701060 847135386 /nfs/dbraw/zinc/13/53/86/847135386.db2.gz UGECUTHEPKFJFA-HUUCEWRRSA-N 0 3 352.410 -0.207 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2coc(COC)n2)C[C@H]1O ZINC001281701164 847135251 /nfs/dbraw/zinc/13/52/51/847135251.db2.gz WHZXPHZSHFDHRF-DGCLKSJQSA-N 0 3 354.407 -0.536 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(OC)ns2)C[C@H]1O ZINC001281701213 847135480 /nfs/dbraw/zinc/13/54/80/847135480.db2.gz XPEHBUFXBODNEB-GHMZBOCLSA-N 0 3 356.448 -0.205 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2nc(C)no2)C1 ZINC001281701231 847135210 /nfs/dbraw/zinc/13/52/10/847135210.db2.gz YBICCJUDHGQFBJ-CHWSQXEVSA-N 0 3 353.423 -0.660 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@H]1O ZINC001281701300 847135618 /nfs/dbraw/zinc/13/56/18/847135618.db2.gz ZNJWWCIDYRESPS-HUUCEWRRSA-N 0 3 351.451 -0.064 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1O)N1CCCC1 ZINC001281701333 847135587 /nfs/dbraw/zinc/13/55/87/847135587.db2.gz UIRPLFWSHAWKTR-VXGBXAGGSA-N 0 3 363.405 -0.170 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001281702803 847136366 /nfs/dbraw/zinc/13/63/66/847136366.db2.gz HFFDDSKEWAMHPH-ANQUJSFKSA-N 0 3 353.463 -0.169 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)CC(C)(C)C ZINC001281704931 847137762 /nfs/dbraw/zinc/13/77/62/847137762.db2.gz QHBBQJCYEHSRJV-SGPHBRAGSA-N 0 3 353.463 -0.455 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1)N(C)C ZINC001281705403 847137475 /nfs/dbraw/zinc/13/74/75/847137475.db2.gz YDFFUUQNLKQSPW-QLFBSQMISA-N 0 3 351.451 -0.619 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1)N(C)C ZINC001281705404 847137817 /nfs/dbraw/zinc/13/78/17/847137817.db2.gz YDFFUUQNLKQSPW-RBSFLKMASA-N 0 3 351.451 -0.619 20 0 FBADHN CCCn1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)nn1 ZINC001281710591 847141786 /nfs/dbraw/zinc/14/17/86/847141786.db2.gz XTHXBGGQYXUDGG-TZMCWYRMSA-N 0 3 352.439 -0.670 20 0 FBADHN Cc1cncn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001281711487 847143171 /nfs/dbraw/zinc/14/31/71/847143171.db2.gz FWQJWWHHJJFDDA-IIAWOOMASA-N 0 3 351.451 -0.534 20 0 FBADHN COc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)co1 ZINC001281711564 847142838 /nfs/dbraw/zinc/14/28/38/847142838.db2.gz GYQGZMFFXLYXIN-RAIGVLPGSA-N 0 3 354.407 -0.429 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001281711766 847142744 /nfs/dbraw/zinc/14/27/44/847142744.db2.gz PZFGPDZYBNMIQW-ZYHUDNBSSA-N 0 3 353.423 -0.843 20 0 FBADHN Cc1ncc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)o1 ZINC001281711841 847143020 /nfs/dbraw/zinc/14/30/20/847143020.db2.gz NEUSPWULUAYBSS-IIAWOOMASA-N 0 3 352.435 -0.200 20 0 FBADHN CCc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001281711858 847142988 /nfs/dbraw/zinc/14/29/88/847142988.db2.gz NNQXZLMKVDSIIL-UMVBOHGHSA-N 0 3 351.451 -0.140 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1O)N(C)C ZINC001281711967 847143858 /nfs/dbraw/zinc/14/38/58/847143858.db2.gz PTLYIGYELLIWMF-XJKCOSOUSA-N 0 3 356.467 -0.694 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1O)N(C)C ZINC001281712301 847144498 /nfs/dbraw/zinc/14/44/98/847144498.db2.gz UUPKFTIPYOSVGW-BFYDXBDKSA-N 0 3 353.463 -0.003 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1 ZINC001281712542 847144169 /nfs/dbraw/zinc/14/41/69/847144169.db2.gz IYTASRPOPGNJJH-CHWSQXEVSA-N 0 3 351.407 -0.872 20 0 FBADHN COc1cccc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)n1 ZINC001281712746 847144341 /nfs/dbraw/zinc/14/43/41/847144341.db2.gz NOHGPUSULRJLED-ZIAGYGMSSA-N 0 3 350.419 -0.268 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)n2)C1 ZINC001281712909 847145681 /nfs/dbraw/zinc/14/56/81/847145681.db2.gz QYPRZTBEPONYKJ-ZIAGYGMSSA-N 0 3 350.419 -0.267 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001281713628 847145699 /nfs/dbraw/zinc/14/56/99/847145699.db2.gz GTPVIIVYGLFIPZ-TZMCWYRMSA-N 0 3 350.419 -0.971 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)nn2)C1 ZINC001281714906 847146685 /nfs/dbraw/zinc/14/66/85/847146685.db2.gz GHMUJGWJTXRTHU-CHWSQXEVSA-N 0 3 351.407 -0.872 20 0 FBADHN COCCCOCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001281717349 847148653 /nfs/dbraw/zinc/14/86/53/847148653.db2.gz HPEBQMQYGSIHSY-RBSFLKMASA-N 0 3 357.451 -0.788 20 0 FBADHN COCCCOCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001281717350 847149018 /nfs/dbraw/zinc/14/90/18/847149018.db2.gz HPEBQMQYGSIHSY-RRFJBIMHSA-N 0 3 357.451 -0.788 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cccn2)C1 ZINC001281717530 847148393 /nfs/dbraw/zinc/14/83/93/847148393.db2.gz KEZUEGZRUXDNOL-RBSFLKMASA-N 0 3 351.451 -0.136 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cccn2)C1 ZINC001281717531 847148687 /nfs/dbraw/zinc/14/86/87/847148687.db2.gz KEZUEGZRUXDNOL-RRFJBIMHSA-N 0 3 351.451 -0.136 20 0 FBADHN CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001281718519 847149639 /nfs/dbraw/zinc/14/96/39/847149639.db2.gz BCWWIEXIGPRYLO-RBSFLKMASA-N 0 3 354.451 -0.927 20 0 FBADHN CC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001281718520 847149750 /nfs/dbraw/zinc/14/97/50/847149750.db2.gz BCWWIEXIGPRYLO-RRFJBIMHSA-N 0 3 354.451 -0.927 20 0 FBADHN CCn1cc(CC(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)cn1 ZINC001281718638 847150021 /nfs/dbraw/zinc/15/00/21/847150021.db2.gz XEYCMWLXKGLXTF-HUUCEWRRSA-N 0 3 351.451 -0.526 20 0 FBADHN Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C2)n1 ZINC001281718732 847149616 /nfs/dbraw/zinc/14/96/16/847149616.db2.gz ASBJRYGTYYPTCZ-CHWSQXEVSA-N 0 3 351.451 -0.002 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1O)N(C)C ZINC001281719272 847150959 /nfs/dbraw/zinc/15/09/59/847150959.db2.gz HPVVAHMCSQQXMZ-QLFBSQMISA-N 0 3 351.451 -0.526 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1O)N(C)C ZINC001281719580 847150718 /nfs/dbraw/zinc/15/07/18/847150718.db2.gz IQMORKPRMQQDHD-QLFBSQMISA-N 0 3 351.451 -0.309 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1O)N(C)C ZINC001281719617 847150784 /nfs/dbraw/zinc/15/07/84/847150784.db2.gz IWCWHAFSJFJQFB-HZSPNIEDSA-N 0 3 350.419 -0.263 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O)CC(C)(C)C ZINC001281719704 847150938 /nfs/dbraw/zinc/15/09/38/847150938.db2.gz KLUZBUQGCLMPAE-ZIAGYGMSSA-N 0 3 351.451 -0.451 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@H]1O)N(C)C ZINC001281720064 847150630 /nfs/dbraw/zinc/15/06/30/847150630.db2.gz LRQITJUFFNBIJG-HZSPNIEDSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1O)N(C)C ZINC001281720073 847150816 /nfs/dbraw/zinc/15/08/16/847150816.db2.gz MBTNGKVXLOWYNF-FRRDWIJNSA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1O)N(C)C ZINC001281720115 847150704 /nfs/dbraw/zinc/15/07/04/847150704.db2.gz NLYYFGJLOVSUDY-QLFBSQMISA-N 0 3 351.451 -0.309 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O)CC(C)(C)C ZINC001281720119 847150951 /nfs/dbraw/zinc/15/09/51/847150951.db2.gz NPUHDCDDEALPPE-SGPHBRAGSA-N 0 3 353.463 -0.455 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@H]1O)N(C)C ZINC001281720127 847150855 /nfs/dbraw/zinc/15/08/55/847150855.db2.gz NVLCFCKENHZJGS-QLFBSQMISA-N 0 3 351.451 -0.526 20 0 FBADHN CCNC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001281720472 847152052 /nfs/dbraw/zinc/15/20/52/847152052.db2.gz PVPDCYIRMSHRDT-HZSPNIEDSA-N 0 3 356.467 -0.679 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2F)C[C@H]1O)N(C)C ZINC001281720482 847151966 /nfs/dbraw/zinc/15/19/66/847151966.db2.gz QJJXPUALQKOIQR-GRYCIOLGSA-N 0 3 355.414 -0.491 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O)CC(C)(C)C ZINC001281720542 847152206 /nfs/dbraw/zinc/15/22/06/847152206.db2.gz SUUKGKUEKFBXBD-ZIAGYGMSSA-N 0 3 351.451 -0.301 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1O)N(C)C ZINC001281720876 847151749 /nfs/dbraw/zinc/15/17/49/847151749.db2.gz UYLWRCOJURIUMU-FRRDWIJNSA-N 0 3 351.407 -0.873 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001281721288 847152801 /nfs/dbraw/zinc/15/28/01/847152801.db2.gz XECWVINZEIMNMP-BFHYXJOUSA-N 0 3 355.414 -0.680 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001281721289 847153265 /nfs/dbraw/zinc/15/32/65/847153265.db2.gz XECWVINZEIMNMP-MGPQQGTHSA-N 0 3 355.414 -0.680 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2(NC(N)=O)CC2)C1)N(C)C ZINC001281752692 847159481 /nfs/dbraw/zinc/15/94/81/847159481.db2.gz DLBFGXQNKASVIO-UPJWGTAASA-N 0 3 353.467 -0.263 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001281753004 847159339 /nfs/dbraw/zinc/15/93/39/847159339.db2.gz HWCGRZMNLKEHIV-JHJVBQTASA-N 0 3 351.451 -0.508 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)C1(NC(N)=O)CC1 ZINC001281753007 847159637 /nfs/dbraw/zinc/15/96/37/847159637.db2.gz HWCGRZMNLKEHIV-YNEHKIRRSA-N 0 3 351.451 -0.508 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001281760746 847162401 /nfs/dbraw/zinc/16/24/01/847162401.db2.gz MCSZZDCGFAPBLX-MCIONIFRSA-N 0 3 353.467 -0.119 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001281760747 847162128 /nfs/dbraw/zinc/16/21/28/847162128.db2.gz MCSZZDCGFAPBLX-MGPQQGTHSA-N 0 3 353.467 -0.119 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C ZINC001281761263 847162761 /nfs/dbraw/zinc/16/27/61/847162761.db2.gz GWLINIPMYPSLKC-CHWSQXEVSA-N 0 3 351.451 -0.358 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1C ZINC001281762098 847163833 /nfs/dbraw/zinc/16/38/33/847163833.db2.gz SVJGKMSVJCCPKX-CHWSQXEVSA-N 0 3 355.483 -0.001 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001281762458 847163727 /nfs/dbraw/zinc/16/37/27/847163727.db2.gz WTSGUQLPIYHVLC-CHWSQXEVSA-N 0 3 352.435 -0.560 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C ZINC001281762512 847163789 /nfs/dbraw/zinc/16/37/89/847163789.db2.gz ZACFQCRUCQOJMZ-FRRDWIJNSA-N 0 3 352.435 -0.656 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C ZINC001281762513 847163248 /nfs/dbraw/zinc/16/32/48/847163248.db2.gz ZACFQCRUCQOJMZ-JHJVBQTASA-N 0 3 352.435 -0.656 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001281767155 847165532 /nfs/dbraw/zinc/16/55/32/847165532.db2.gz DFHMBWJEWGAPLR-CHWSQXEVSA-N 0 3 362.496 -0.769 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CN(C)C(=O)COC)C1)N(C)C ZINC001281767282 847165687 /nfs/dbraw/zinc/16/56/87/847165687.db2.gz JEISZWMRBNKRQN-MGPQQGTHSA-N 0 3 356.467 -0.606 20 0 FBADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001281767471 847165608 /nfs/dbraw/zinc/16/56/08/847165608.db2.gz PIGVLWOWCVAGHO-CHWSQXEVSA-N 0 3 362.496 -0.771 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1)N(C)C ZINC001281767966 847166773 /nfs/dbraw/zinc/16/67/73/847166773.db2.gz ZBQMLRLDLHZHTI-JHJVBQTASA-N 0 3 362.496 -0.771 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1)N(C)C ZINC001281767967 847166715 /nfs/dbraw/zinc/16/67/15/847166715.db2.gz ZBQMLRLDLHZHTI-UPJWGTAASA-N 0 3 362.496 -0.771 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C ZINC001281769201 847166890 /nfs/dbraw/zinc/16/68/90/847166890.db2.gz BLEPWABQLYQWED-MCIONIFRSA-N 0 3 353.467 -0.167 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001281769413 847166760 /nfs/dbraw/zinc/16/67/60/847166760.db2.gz GXRFPUMOUNMGDO-CHWSQXEVSA-N 0 3 362.496 -0.642 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001281769561 847167954 /nfs/dbraw/zinc/16/79/54/847167954.db2.gz ILMYFTKMWFNJIR-FRRDWIJNSA-N 0 3 362.496 -0.773 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001281769562 847167913 /nfs/dbraw/zinc/16/79/13/847167913.db2.gz ILMYFTKMWFNJIR-JHJVBQTASA-N 0 3 362.496 -0.773 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001281769768 847167856 /nfs/dbraw/zinc/16/78/56/847167856.db2.gz LWGUSRDEQRESOF-HZSPNIEDSA-N 0 3 361.508 -0.028 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001281769769 847167669 /nfs/dbraw/zinc/16/76/69/847167669.db2.gz LWGUSRDEQRESOF-MGPQQGTHSA-N 0 3 361.508 -0.028 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001281769896 847167408 /nfs/dbraw/zinc/16/74/08/847167408.db2.gz UFZCUBJPULHICF-MCIONIFRSA-N 0 3 353.467 -0.118 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001281769897 847167817 /nfs/dbraw/zinc/16/78/17/847167817.db2.gz UFZCUBJPULHICF-MGPQQGTHSA-N 0 3 353.467 -0.118 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001281770124 847167793 /nfs/dbraw/zinc/16/77/93/847167793.db2.gz RHGQVSBVFURYOZ-HZSPNIEDSA-N 0 3 361.508 -0.030 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001281770126 847167757 /nfs/dbraw/zinc/16/77/57/847167757.db2.gz RHGQVSBVFURYOZ-MGPQQGTHSA-N 0 3 361.508 -0.030 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001281770178 847168060 /nfs/dbraw/zinc/16/80/60/847168060.db2.gz WWASQZUNHIQFNP-CHWSQXEVSA-N 0 3 353.467 -0.390 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001281770327 847167545 /nfs/dbraw/zinc/16/75/45/847167545.db2.gz DABOUJHGYFBUGR-GHMZBOCLSA-N 0 3 360.405 -0.185 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C ZINC001281770726 847168009 /nfs/dbraw/zinc/16/80/09/847168009.db2.gz YOBFDJWJGRHQOA-CHWSQXEVSA-N 0 3 362.496 -0.819 20 0 FBADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1)NC(N)=O ZINC001281770915 847167729 /nfs/dbraw/zinc/16/77/29/847167729.db2.gz LBKWEPYCHZKSMJ-FRRDWIJNSA-N 0 3 353.467 -0.119 20 0 FBADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1)NC(N)=O ZINC001281770916 847168002 /nfs/dbraw/zinc/16/80/02/847168002.db2.gz LBKWEPYCHZKSMJ-JHJVBQTASA-N 0 3 353.467 -0.119 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001281770939 847167474 /nfs/dbraw/zinc/16/74/74/847167474.db2.gz LTZMHGIIGUNNOG-VXGBXAGGSA-N 0 3 350.423 -0.569 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001281771160 847167651 /nfs/dbraw/zinc/16/76/51/847167651.db2.gz QZZGHTUBMLPEBF-HZSPNIEDSA-N 0 3 371.503 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001281771161 847167604 /nfs/dbraw/zinc/16/76/04/847167604.db2.gz 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ZINC001281861716 847218993 /nfs/dbraw/zinc/21/89/93/847218993.db2.gz IAROUKYXPDQFJD-OLZOCXBDSA-N 0 3 354.451 -0.973 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001281864252 847221493 /nfs/dbraw/zinc/22/14/93/847221493.db2.gz ZZOYGXVAZRHTLO-KGLIPLIRSA-N 0 3 350.419 -0.648 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1OC)N(C)C ZINC001281864435 847221058 /nfs/dbraw/zinc/22/10/58/847221058.db2.gz UPSPVNKSVSWMDN-QLFBSQMISA-N 0 3 351.451 -0.126 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1OC)N(C)C ZINC001281864473 847221078 /nfs/dbraw/zinc/22/10/78/847221078.db2.gz VUPWLZCMTDPLLV-QLFBSQMISA-N 0 3 354.451 -0.853 20 0 FBADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC001281865436 847222459 /nfs/dbraw/zinc/22/24/59/847222459.db2.gz CFIOXZYSQMNHAQ-KGLIPLIRSA-N 0 3 354.451 -0.973 20 0 FBADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1O ZINC001281866814 847224613 /nfs/dbraw/zinc/22/46/13/847224613.db2.gz XBFCNGVRPNNIJW-ILXRZTDVSA-N 0 3 354.451 -0.975 20 0 FBADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1O ZINC001281866817 847224717 /nfs/dbraw/zinc/22/47/17/847224717.db2.gz XBFCNGVRPNNIJW-KFWWJZLASA-N 0 3 354.451 -0.975 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1)N(C)C ZINC001281867515 847225324 /nfs/dbraw/zinc/22/53/24/847225324.db2.gz UNANVSQAIIITDB-IJEWVQPXSA-N 0 3 351.451 -0.453 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1)N(C)C ZINC001281867516 847225556 /nfs/dbraw/zinc/22/55/56/847225556.db2.gz UNANVSQAIIITDB-YCPHGPKFSA-N 0 3 351.451 -0.453 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001281869133 847226486 /nfs/dbraw/zinc/22/64/86/847226486.db2.gz KYLKUNZUOICIFR-KGLIPLIRSA-N 0 3 351.451 -0.390 20 0 FBADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001281872479 847230623 /nfs/dbraw/zinc/23/06/23/847230623.db2.gz SPZNGJNJVISMIA-MJBXVCDLSA-N 0 3 354.451 -0.484 20 0 FBADHN CN(CC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1)CC(C)(C)C ZINC001281881059 847239805 /nfs/dbraw/zinc/23/98/05/847239805.db2.gz BROHOYUJHWCYGN-YPMHNXCESA-N 0 3 352.439 -0.906 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001281882345 847241407 /nfs/dbraw/zinc/24/14/07/847241407.db2.gz ZQGZWASWLBLYNP-DGAVXFQQSA-N 0 3 352.435 -0.020 20 0 FBADHN CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1O ZINC001281883376 847243157 /nfs/dbraw/zinc/24/31/57/847243157.db2.gz IGRQWZHQEINVSB-DVOMOZLQSA-N 0 3 356.467 -0.823 20 0 FBADHN CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1O ZINC001281883377 847243257 /nfs/dbraw/zinc/24/32/57/847243257.db2.gz IGRQWZHQEINVSB-WWGRRREGSA-N 0 3 356.467 -0.823 20 0 FBADHN COCC1(CC(=O)N[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2O)CC1 ZINC001281884238 847244300 /nfs/dbraw/zinc/24/43/00/847244300.db2.gz DNOWZICZNXWJNI-KFWWJZLASA-N 0 3 353.463 -0.025 20 0 FBADHN COCC1(CC(=O)N[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2O)CC1 ZINC001281884239 847244684 /nfs/dbraw/zinc/24/46/84/847244684.db2.gz DNOWZICZNXWJNI-ZNMIVQPWSA-N 0 3 353.463 -0.025 20 0 FBADHN CN(CC(=O)N1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1)CC(C)(C)C ZINC001281884354 847243864 /nfs/dbraw/zinc/24/38/64/847243864.db2.gz ZXJIAMPKNGKVQM-CABCVRRESA-N 0 3 353.463 -0.001 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1)N(C)C ZINC001281885536 847245257 /nfs/dbraw/zinc/24/52/57/847245257.db2.gz WEPDYSZADILBKC-UPJWGTAASA-N 0 3 356.467 -0.823 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1O ZINC001281888619 847248106 /nfs/dbraw/zinc/24/81/06/847248106.db2.gz YHKJKXGGWHBUIK-AGIUHOORSA-N 0 3 363.405 -0.171 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1O ZINC001281888620 847247881 /nfs/dbraw/zinc/24/78/81/847247881.db2.gz YHKJKXGGWHBUIK-UPJWGTAASA-N 0 3 363.405 -0.171 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCN2CCCC2=O)[C@@H](O)C1)N(C)C ZINC001281889763 847247986 /nfs/dbraw/zinc/24/79/86/847247986.db2.gz CDNFCDSBRVTUHH-MCIONIFRSA-N 0 3 354.451 -0.973 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)CCN2CCCC2=O)[C@@H](O)C1 ZINC001281890955 847249072 /nfs/dbraw/zinc/24/90/72/847249072.db2.gz USPGXNJNECNIAX-KGLIPLIRSA-N 0 3 354.451 -0.971 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)ncn1 ZINC001281891169 847250375 /nfs/dbraw/zinc/25/03/75/847250375.db2.gz DZIWEKXGEZAKAY-OLZOCXBDSA-N 0 3 351.407 -0.873 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1O ZINC001281891514 847250083 /nfs/dbraw/zinc/25/00/83/847250083.db2.gz ACJPBRXJWRVEAE-KGLIPLIRSA-N 0 3 354.451 -0.971 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001281891551 847250454 /nfs/dbraw/zinc/25/04/54/847250454.db2.gz BMJWESXRHJRLOA-NEPJUHHUSA-N 0 3 355.464 -0.256 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 ZINC001281891624 847250216 /nfs/dbraw/zinc/25/02/16/847250216.db2.gz LZAVXNSAGGHOHA-OLZOCXBDSA-N 0 3 351.407 -0.872 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@@H]1O ZINC001281891880 847251649 /nfs/dbraw/zinc/25/16/49/847251649.db2.gz HPMCJRPHAYVTBM-OLZOCXBDSA-N 0 3 353.423 -0.928 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1O ZINC001281891885 847251332 /nfs/dbraw/zinc/25/13/32/847251332.db2.gz HUOSRUUTPGYIPZ-CABCVRRESA-N 0 3 352.410 -0.207 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@@H]1O ZINC001281892066 847251032 /nfs/dbraw/zinc/25/10/32/847251032.db2.gz KBFIDKSGCKIJMZ-OLZOCXBDSA-N 0 3 352.439 -0.750 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](O)C1 ZINC001281892107 847251770 /nfs/dbraw/zinc/25/17/70/847251770.db2.gz JSKBGGJIEWYXSB-CABCVRRESA-N 0 3 351.451 -0.525 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](O)C1 ZINC001281892261 847251394 /nfs/dbraw/zinc/25/13/94/847251394.db2.gz WDCVVYGPDTZQBP-NEPJUHHUSA-N 0 3 357.842 -0.283 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1O ZINC001281892379 847252517 /nfs/dbraw/zinc/25/25/17/847252517.db2.gz PAIRYCJPXSYIEH-OLZOCXBDSA-N 0 3 353.423 -0.928 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1)N(C)C ZINC001281892561 847252274 /nfs/dbraw/zinc/25/22/74/847252274.db2.gz PFRNSEUMWXVJTE-YCPHGPKFSA-N 0 3 351.451 -0.384 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1O ZINC001281892755 847252768 /nfs/dbraw/zinc/25/27/68/847252768.db2.gz SRDGZRXYIKZXPZ-NEPJUHHUSA-N 0 3 352.391 -0.978 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1O ZINC001281892780 847252168 /nfs/dbraw/zinc/25/21/68/847252168.db2.gz ULWCIMDXZKSQTG-CABCVRRESA-N 0 3 351.451 -0.525 20 0 FBADHN COc1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)sn1 ZINC001281892960 847252587 /nfs/dbraw/zinc/25/25/87/847252587.db2.gz WASIVDNQHXXSTA-MNOVXSKESA-N 0 3 356.448 -0.207 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@@H]1O ZINC001281892971 847252798 /nfs/dbraw/zinc/25/27/98/847252798.db2.gz WJZDFFZABKBYRF-KGLIPLIRSA-N 0 3 350.419 -0.641 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCCn2cccn2)[C@@H](O)C1)N(C)C ZINC001281893122 847252838 /nfs/dbraw/zinc/25/28/38/847252838.db2.gz YFCOIWRJQVOXBB-KFWWJZLASA-N 0 3 351.451 -0.309 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@@H]1O ZINC001281893138 847253630 /nfs/dbraw/zinc/25/36/30/847253630.db2.gz ZGKNMCILZADAIE-PWSUYJOCSA-N 0 3 357.842 -0.283 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@@H]1O ZINC001281893152 847253397 /nfs/dbraw/zinc/25/33/97/847253397.db2.gz ZSHAWYDLNRBNNL-CABCVRRESA-N 0 3 357.451 -0.788 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1O ZINC001281893157 847254066 /nfs/dbraw/zinc/25/40/66/847254066.db2.gz ZYBHCJMUFPSGHZ-KGLIPLIRSA-N 0 3 350.419 -0.971 20 0 FBADHN CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001281894605 847253336 /nfs/dbraw/zinc/25/33/36/847253336.db2.gz PKEMUGALWXKTLF-HIFRSBDPSA-N 0 3 351.451 -0.065 20 0 FBADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC001281895692 847254292 /nfs/dbraw/zinc/25/42/92/847254292.db2.gz GRLVPTOHZYONRL-UPJWGTAASA-N 0 3 355.414 -0.680 20 0 FBADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC001281895693 847254576 /nfs/dbraw/zinc/25/45/76/847254576.db2.gz GRLVPTOHZYONRL-XQQFMLRXSA-N 0 3 355.414 -0.680 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1)N(C)C ZINC001281896723 847256507 /nfs/dbraw/zinc/25/65/07/847256507.db2.gz WVJYOFSPFAOTGV-ILXRZTDVSA-N 0 3 351.451 -0.619 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1)N(C)C ZINC001281896725 847256485 /nfs/dbraw/zinc/25/64/85/847256485.db2.gz WVJYOFSPFAOTGV-KFWWJZLASA-N 0 3 351.451 -0.619 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1O ZINC001281898058 847257637 /nfs/dbraw/zinc/25/76/37/847257637.db2.gz AOWNDKYNQNQZKB-KSXIZUIISA-N 0 3 353.463 -0.170 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@@H]1O ZINC001281898094 847258216 /nfs/dbraw/zinc/25/82/16/847258216.db2.gz BJACQNKNZQAVGT-PWSUYJOCSA-N 0 3 357.842 -0.285 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1O ZINC001281898127 847257599 /nfs/dbraw/zinc/25/75/99/847257599.db2.gz BPOFOPCMSUNNAB-CABCVRRESA-N 0 3 351.451 -0.619 20 0 FBADHN Cc1cc(OCC(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)no1 ZINC001281898374 847258566 /nfs/dbraw/zinc/25/85/66/847258566.db2.gz CQTHOUTTZPGSMM-OLZOCXBDSA-N 0 3 354.407 -0.610 20 0 FBADHN Cc1c(CC(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)cnn1C ZINC001281898389 847259025 /nfs/dbraw/zinc/25/90/25/847259025.db2.gz CXJBYMDQMSUMPB-CABCVRRESA-N 0 3 351.451 -0.701 20 0 FBADHN Cc1noc(CCC(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)n1 ZINC001281898573 847259064 /nfs/dbraw/zinc/25/90/64/847259064.db2.gz GPJSCNLFZDDNPD-OLZOCXBDSA-N 0 3 353.423 -0.661 20 0 FBADHN C[C@H](OCC1CC1)C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001281898753 847260195 /nfs/dbraw/zinc/26/01/95/847260195.db2.gz JPAFMUGDNNRAHZ-CFVMTHIKSA-N 0 3 353.463 -0.026 20 0 FBADHN C[C@@H](OCC1CC1)C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001281898754 847259983 /nfs/dbraw/zinc/25/99/83/847259983.db2.gz JPAFMUGDNNRAHZ-YUELXQCFSA-N 0 3 353.463 -0.026 20 0 FBADHN COc1ccc(C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)nn1 ZINC001281898761 847260052 /nfs/dbraw/zinc/26/00/52/847260052.db2.gz LKDJLBIUQLSMNS-OLZOCXBDSA-N 0 3 351.407 -0.873 20 0 FBADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@@H]2O)CCC1 ZINC001281898881 847259715 /nfs/dbraw/zinc/25/97/15/847259715.db2.gz KJVOGVUYGRAAMQ-OLZOCXBDSA-N 0 3 369.853 -0.291 20 0 FBADHN COc1cccc(C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)n1 ZINC001281898964 847260027 /nfs/dbraw/zinc/26/00/27/847260027.db2.gz OFROQPZWWHHMTP-KGLIPLIRSA-N 0 3 350.419 -0.268 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@@H]1O ZINC001281899238 847261697 /nfs/dbraw/zinc/26/16/97/847261697.db2.gz RBQUFLVOBOXTLR-KFWWJZLASA-N 0 3 353.463 -0.169 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@@H]1O ZINC001281899240 847260833 /nfs/dbraw/zinc/26/08/33/847260833.db2.gz RBQUFLVOBOXTLR-ZNMIVQPWSA-N 0 3 353.463 -0.169 20 0 FBADHN CCOc1cc(C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)on1 ZINC001281899504 847261912 /nfs/dbraw/zinc/26/19/12/847261912.db2.gz ULUNHHACSKCKTJ-NEPJUHHUSA-N 0 3 354.407 -0.285 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001281899547 847261502 /nfs/dbraw/zinc/26/15/02/847261502.db2.gz LSWIVIMROXHOPA-NEPJUHHUSA-N 0 3 351.407 -0.790 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H](O)C1)N(C)C ZINC001281899564 847261937 /nfs/dbraw/zinc/26/19/37/847261937.db2.gz VWCSDGJXQUHZKN-ILXRZTDVSA-N 0 3 351.451 -0.390 20 0 FBADHN C[C@H](C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1)n1cncn1 ZINC001281899613 847260988 /nfs/dbraw/zinc/26/09/88/847260988.db2.gz UUZDURIBIRXZNZ-UPJWGTAASA-N 0 3 350.423 -0.989 20 0 FBADHN C[C@@H](C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1)n1cncn1 ZINC001281899614 847261089 /nfs/dbraw/zinc/26/10/89/847261089.db2.gz UUZDURIBIRXZNZ-XQQFMLRXSA-N 0 3 350.423 -0.989 20 0 FBADHN CCn1nc(C)c(C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)n1 ZINC001281899723 847261416 /nfs/dbraw/zinc/26/14/16/847261416.db2.gz WSXANKSLENLYRG-OLZOCXBDSA-N 0 3 352.439 -0.752 20 0 FBADHN CCOc1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)[nH]n1 ZINC001281900353 847262226 /nfs/dbraw/zinc/26/22/26/847262226.db2.gz GHRDIXWPQUKHLH-OLZOCXBDSA-N 0 3 353.423 -0.550 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1O)N(C)C ZINC001281902002 847263377 /nfs/dbraw/zinc/26/33/77/847263377.db2.gz DTTLSMLCEHAFKW-YCPHGPKFSA-N 0 3 352.435 -0.119 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)[NH+](C)C ZINC001281902563 847263478 /nfs/dbraw/zinc/26/34/78/847263478.db2.gz KOVSMRJRBSNOKM-AGIUHOORSA-N 0 3 351.407 -0.930 20 0 FBADHN CCc1nc[nH]c1C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001281902668 847263825 /nfs/dbraw/zinc/26/38/25/847263825.db2.gz NNQXZLMKVDSIIL-IPYPFGDCSA-N 0 3 351.451 -0.140 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@@H]1O)N(C)C ZINC001281902782 847264447 /nfs/dbraw/zinc/26/44/47/847264447.db2.gz BCOAPDGJTBGNAG-MCIONIFRSA-N 0 3 350.419 -0.973 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1O)N(C)C ZINC001281902867 847264395 /nfs/dbraw/zinc/26/43/95/847264395.db2.gz RVZWEYJMPPIJNI-USWWRNFRSA-N 0 3 356.448 -0.264 20 0 FBADHN Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001281902925 847264788 /nfs/dbraw/zinc/26/47/88/847264788.db2.gz UJNKPQPCPABXSK-RDBSUJKOSA-N 0 3 351.451 -0.384 20 0 FBADHN CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C2)nn1 ZINC001281903076 847264661 /nfs/dbraw/zinc/26/46/61/847264661.db2.gz HOCPEWKAUGRRBV-BNOWGMLFSA-N 0 3 352.439 -0.670 20 0 FBADHN CCn1ccc(C(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)n1 ZINC001281903103 847265074 /nfs/dbraw/zinc/26/50/74/847265074.db2.gz WQOVVQNNPHUIAE-ILXRZTDVSA-N 0 3 351.451 -0.209 20 0 FBADHN Cc1ccnn1CC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001281903149 847265110 /nfs/dbraw/zinc/26/51/10/847265110.db2.gz XWOXAKCBSLIRNL-YCPHGPKFSA-N 0 3 351.451 -0.534 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@@H]1O)N(C)C ZINC001281903269 847264419 /nfs/dbraw/zinc/26/44/19/847264419.db2.gz KHZRFBRSQJMYNG-UTUOFQBUSA-N 0 3 357.842 -0.285 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2conc2COC)C[C@@H]1O)N(C)C ZINC001281903480 847264564 /nfs/dbraw/zinc/26/45/64/847264564.db2.gz NBQMHMNUUGRNCP-BNOWGMLFSA-N 0 3 354.407 -0.537 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001281903506 847265737 /nfs/dbraw/zinc/26/57/37/847265737.db2.gz FUYYCJJEIQZPDZ-MCIONIFRSA-N 0 3 354.451 -0.796 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001281903507 847266023 /nfs/dbraw/zinc/26/60/23/847266023.db2.gz FUYYCJJEIQZPDZ-RDBSUJKOSA-N 0 3 354.451 -0.796 20 0 FBADHN COCc1ncc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)s1 ZINC001281903832 847265834 /nfs/dbraw/zinc/26/58/34/847265834.db2.gz LUFINSHFMPCZPE-NEPJUHHUSA-N 0 3 370.475 -0.069 20 0 FBADHN Cc1nonc1C(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1O ZINC001281904339 847267423 /nfs/dbraw/zinc/26/74/23/847267423.db2.gz SQDPGVPOODLLLM-NEPJUHHUSA-N 0 3 353.423 -0.343 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(COC)on2)C[C@@H]1O)N(C)C ZINC001281904443 847267061 /nfs/dbraw/zinc/26/70/61/847267061.db2.gz ICIRVLSJTZFMEB-MCIONIFRSA-N 0 3 354.407 -0.537 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@@H]1O)N(C)C ZINC001281904617 847267525 /nfs/dbraw/zinc/26/75/25/847267525.db2.gz KMPFWGSXDMLWNN-KFWWJZLASA-N 0 3 352.435 -0.138 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1O)N(C)C ZINC001281904814 847267039 /nfs/dbraw/zinc/26/70/39/847267039.db2.gz PMOMXRTWFYDLRR-KFWWJZLASA-N 0 3 351.451 -0.619 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)CCCn2ccnc2)[C@@H](O)C1 ZINC001281904849 847267001 /nfs/dbraw/zinc/26/70/01/847267001.db2.gz QRADAZIHMJKUQJ-CABCVRRESA-N 0 3 351.451 -0.307 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCOCC(F)(F)F)[C@@H](O)C1)N(C)C ZINC001281906272 847269238 /nfs/dbraw/zinc/26/92/38/847269238.db2.gz PYVLCOHHYCEFHM-UTUOFQBUSA-N 0 3 369.384 -0.017 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001281907170 847270361 /nfs/dbraw/zinc/27/03/61/847270361.db2.gz TXMHILVTGPEWGC-KGLIPLIRSA-N 0 3 350.419 -0.971 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@@H](O)C1)N(C)C ZINC001281907881 847271368 /nfs/dbraw/zinc/27/13/68/847271368.db2.gz ALIFPRFZSAKESU-MCIONIFRSA-N 0 3 356.467 -0.823 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](O)C1 ZINC001281908510 847272127 /nfs/dbraw/zinc/27/21/27/847272127.db2.gz PFDMZVAGMATDGP-PWSUYJOCSA-N 0 3 357.842 -0.283 20 0 FBADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC001281909319 847272899 /nfs/dbraw/zinc/27/28/99/847272899.db2.gz DXSKZZFOCJAEQD-OLZOCXBDSA-N 0 3 354.451 -0.927 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)COc2cccnc2)[C@@H](O)C1 ZINC001281909993 847274770 /nfs/dbraw/zinc/27/47/70/847274770.db2.gz NNJRSPRRXNLLAK-CABCVRRESA-N 0 3 350.419 -0.510 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 ZINC001281910159 847274500 /nfs/dbraw/zinc/27/45/00/847274500.db2.gz QXQDSRJEVPOZAT-MNOVXSKESA-N 0 3 368.459 -0.510 20 0 FBADHN CC(C)(C(=O)N1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1)N1CCCC1 ZINC001281911093 847275753 /nfs/dbraw/zinc/27/57/53/847275753.db2.gz IGEXVMWJOWNWTD-NEPJUHHUSA-N 0 3 363.405 -0.170 20 0 FBADHN CCc1c[nH]c(CC(=O)N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C2)n1 ZINC001281911244 847276642 /nfs/dbraw/zinc/27/66/42/847276642.db2.gz LYNUVFJJSZELGJ-MCIONIFRSA-N 0 3 351.451 -0.457 20 0 FBADHN CCc1c[nH]c(CC(=O)N2C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C2)n1 ZINC001281911245 847276312 /nfs/dbraw/zinc/27/63/12/847276312.db2.gz LYNUVFJJSZELGJ-RDBSUJKOSA-N 0 3 351.451 -0.457 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1O)N(C)C ZINC001281911360 847276668 /nfs/dbraw/zinc/27/66/68/847276668.db2.gz NVLCFCKENHZJGS-ILXRZTDVSA-N 0 3 351.451 -0.526 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1O)N(C)C ZINC001281911362 847276086 /nfs/dbraw/zinc/27/60/86/847276086.db2.gz NVLCFCKENHZJGS-KFWWJZLASA-N 0 3 351.451 -0.526 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1O)N(C)C ZINC001281911587 847276493 /nfs/dbraw/zinc/27/64/93/847276493.db2.gz RWRYAYKCDZGNKV-AGIUHOORSA-N 0 3 353.423 -0.930 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1O)N(C)C ZINC001281911589 847276599 /nfs/dbraw/zinc/27/65/99/847276599.db2.gz RWRYAYKCDZGNKV-UPJWGTAASA-N 0 3 353.423 -0.930 20 0 FBADHN CCOc1nc(C(=O)N[C@@H]2CN(C(=O)CN(CC)CC)C[C@@H]2O)co1 ZINC001281911657 847276173 /nfs/dbraw/zinc/27/61/73/847276173.db2.gz SNGLHPWWLCUHSX-YPMHNXCESA-N 0 3 354.407 -0.283 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001281911752 847276394 /nfs/dbraw/zinc/27/63/94/847276394.db2.gz WGMZIAZIZZDZAP-KGLIPLIRSA-N 0 3 356.467 -0.725 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@@H]1O)N(C)C ZINC001281911758 847276333 /nfs/dbraw/zinc/27/63/33/847276333.db2.gz WWBBMNKAFINEHA-ILXRZTDVSA-N 0 3 352.435 -0.056 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2cc(C)on2)C[C@@H]1O)N(C)C ZINC001281911759 847276614 /nfs/dbraw/zinc/27/66/14/847276614.db2.gz WWBBMNKAFINEHA-KFWWJZLASA-N 0 3 352.435 -0.056 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1O)N(C)C ZINC001281912002 847277459 /nfs/dbraw/zinc/27/74/59/847277459.db2.gz ZMGBYTQZPHVLLB-AGIUHOORSA-N 0 3 357.842 -0.435 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1O)N(C)C ZINC001281912003 847277148 /nfs/dbraw/zinc/27/71/48/847277148.db2.gz ZMGBYTQZPHVLLB-UPJWGTAASA-N 0 3 357.842 -0.435 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001281912094 847277652 /nfs/dbraw/zinc/27/76/52/847277652.db2.gz YQISEULYVXBHJH-MNOVXSKESA-N 0 3 351.394 -0.314 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]1O ZINC001281915452 847280176 /nfs/dbraw/zinc/28/01/76/847280176.db2.gz BMNIPKASNQZNQS-KGLIPLIRSA-N 0 3 356.467 -0.822 20 0 FBADHN Cc1ccn(CC(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)n1 ZINC001281915634 847280985 /nfs/dbraw/zinc/28/09/85/847280985.db2.gz FJNVLQMYDXUUJV-IJEWVQPXSA-N 0 3 351.451 -0.534 20 0 FBADHN Cc1ccn(CC(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)n1 ZINC001281915635 847280208 /nfs/dbraw/zinc/28/02/08/847280208.db2.gz FJNVLQMYDXUUJV-YCPHGPKFSA-N 0 3 351.451 -0.534 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1O ZINC001281915684 847281287 /nfs/dbraw/zinc/28/12/87/847281287.db2.gz HDGSOWDIZHYYSG-OLZOCXBDSA-N 0 3 351.407 -0.872 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1O)N(C)C ZINC001281915697 847280335 /nfs/dbraw/zinc/28/03/35/847280335.db2.gz HRCNQGBJHURVFR-SUNKGSAMSA-N 0 3 351.394 -0.458 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1O)N(C)C ZINC001281915698 847281350 /nfs/dbraw/zinc/28/13/50/847281350.db2.gz HRCNQGBJHURVFR-UHIISALHSA-N 0 3 351.394 -0.458 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1O)N(C)C ZINC001281916042 847280235 /nfs/dbraw/zinc/28/02/35/847280235.db2.gz MHRCQIXKUKFWEA-IJEWVQPXSA-N 0 3 351.451 -0.763 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1O)N(C)C ZINC001281916043 847280441 /nfs/dbraw/zinc/28/04/41/847280441.db2.gz MHRCQIXKUKFWEA-YCPHGPKFSA-N 0 3 351.451 -0.763 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@@H]1O ZINC001281916064 847281228 /nfs/dbraw/zinc/28/12/28/847281228.db2.gz NJQTZOCVHUYPTM-KGLIPLIRSA-N 0 3 350.419 -0.267 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1O ZINC001281916068 847280491 /nfs/dbraw/zinc/28/04/91/847280491.db2.gz NLLTWGPQEXRTHE-CABCVRRESA-N 0 3 350.419 -0.235 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)[nH]n1 ZINC001281916071 847280916 /nfs/dbraw/zinc/28/09/16/847280916.db2.gz NNQCYAOOUQTXBC-ILXRZTDVSA-N 0 3 351.451 -0.140 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)[nH]n1 ZINC001281916072 847280397 /nfs/dbraw/zinc/28/03/97/847280397.db2.gz NNQCYAOOUQTXBC-QLFBSQMISA-N 0 3 351.451 -0.140 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@@H]1O ZINC001281916230 847280421 /nfs/dbraw/zinc/28/04/21/847280421.db2.gz PEQLLHXHGSNKJC-OLZOCXBDSA-N 0 3 352.439 -0.750 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2conc2COC)C[C@@H]1O ZINC001281916241 847280796 /nfs/dbraw/zinc/28/07/96/847280796.db2.gz PUQNDRWCZFGJPF-OCCSQVGLSA-N 0 3 354.407 -0.536 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2OC)C[C@@H]1O ZINC001281916244 847280315 /nfs/dbraw/zinc/28/03/15/847280315.db2.gz PYKXDFFGWSQZBF-OLZOCXBDSA-N 0 3 350.419 -0.267 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@@H]1O ZINC001281916250 847280954 /nfs/dbraw/zinc/28/09/54/847280954.db2.gz QHVIIJBNSWNSMB-KFWWJZLASA-N 0 3 353.463 -0.167 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@@H]1O ZINC001281916251 847281191 /nfs/dbraw/zinc/28/11/91/847281191.db2.gz QHVIIJBNSWNSMB-ZNMIVQPWSA-N 0 3 353.463 -0.167 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1O ZINC001281916255 847280548 /nfs/dbraw/zinc/28/05/48/847280548.db2.gz QJKWCIBHLRHIAA-KSXIZUIISA-N 0 3 353.463 -0.169 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2scnc2COC)C[C@@H]1O ZINC001281916269 847281161 /nfs/dbraw/zinc/28/11/61/847281161.db2.gz QXWNYFWHTDTZMU-YPMHNXCESA-N 0 3 370.475 -0.067 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@@H]1O ZINC001281916288 847281324 /nfs/dbraw/zinc/28/13/24/847281324.db2.gz RVMKQMCWNKGMSD-OCCSQVGLSA-N 0 3 352.439 -0.498 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@@H]1O ZINC001281916432 847280469 /nfs/dbraw/zinc/28/04/69/847280469.db2.gz UFPZSMSEXSIGQE-NEPJUHHUSA-N 0 3 357.842 -0.283 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1O ZINC001281916433 847280644 /nfs/dbraw/zinc/28/06/44/847280644.db2.gz UGECUTHEPKFJFA-CABCVRRESA-N 0 3 352.410 -0.207 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1O)N(C)C ZINC001281916452 847281010 /nfs/dbraw/zinc/28/10/10/847281010.db2.gz UUPKFTIPYOSVGW-HLLBOEOZSA-N 0 3 353.463 -0.003 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1O)N(C)C ZINC001281916453 847280266 /nfs/dbraw/zinc/28/02/66/847280266.db2.gz UUPKFTIPYOSVGW-VYDXJSESSA-N 0 3 353.463 -0.003 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O)N(C)C ZINC001281916509 847281990 /nfs/dbraw/zinc/28/19/90/847281990.db2.gz WSNRJDYGDHRVFA-DYEKYZERSA-N 0 3 351.407 -0.930 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1O)N(C)C ZINC001281916510 847282090 /nfs/dbraw/zinc/28/20/90/847282090.db2.gz WSNRJDYGDHRVFA-MBNYWOFBSA-N 0 3 351.407 -0.930 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)nn1 ZINC001281916661 847282120 /nfs/dbraw/zinc/28/21/20/847282120.db2.gz YYXVBRPQJZUQSH-KWCYVHTRSA-N 0 3 352.439 -0.814 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)nn1 ZINC001281916662 847282016 /nfs/dbraw/zinc/28/20/16/847282016.db2.gz YYXVBRPQJZUQSH-XBFCOCLRSA-N 0 3 352.439 -0.814 20 0 FBADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001281917594 847282037 /nfs/dbraw/zinc/28/20/37/847282037.db2.gz CBOLUFKZCIUFNB-BNOWGMLFSA-N 0 3 354.451 -0.927 20 0 FBADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001281917596 847282062 /nfs/dbraw/zinc/28/20/62/847282062.db2.gz CBOLUFKZCIUFNB-YUTCNCBUSA-N 0 3 354.451 -0.927 20 0 FBADHN COc1c(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)cnn1C ZINC001281917642 847281819 /nfs/dbraw/zinc/28/18/19/847281819.db2.gz CQYCLTIIUIHBQQ-OLZOCXBDSA-N 0 3 353.423 -0.930 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001281918197 847282946 /nfs/dbraw/zinc/28/29/46/847282946.db2.gz RPYQDPDRTBHMLJ-PWSUYJOCSA-N 0 3 353.423 -0.843 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001281918200 847283323 /nfs/dbraw/zinc/28/33/23/847283323.db2.gz LRQFRBCLQSAKCA-UPJWGTAASA-N 0 3 354.451 -0.940 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001281918201 847283108 /nfs/dbraw/zinc/28/31/08/847283108.db2.gz LRQFRBCLQSAKCA-XQQFMLRXSA-N 0 3 354.451 -0.940 20 0 FBADHN COC[C@@H](OC)C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001281918371 847282884 /nfs/dbraw/zinc/28/28/84/847282884.db2.gz NWXVEFFTMPHKTF-HZSPNIEDSA-N 0 3 357.451 -0.790 20 0 FBADHN COC[C@H](OC)C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001281918373 847283012 /nfs/dbraw/zinc/28/30/12/847283012.db2.gz NWXVEFFTMPHKTF-RDBSUJKOSA-N 0 3 357.451 -0.790 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1)N(C)C ZINC001281918645 847283697 /nfs/dbraw/zinc/28/36/97/847283697.db2.gz QOUKNYLJWQPOEH-UPJWGTAASA-N 0 3 353.423 -0.661 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 ZINC001281920671 847285248 /nfs/dbraw/zinc/28/52/48/847285248.db2.gz YAORBUFQOZOKQR-KGLIPLIRSA-N 0 3 351.451 -0.619 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1)N(C)C ZINC001281920676 847284794 /nfs/dbraw/zinc/28/47/94/847284794.db2.gz YDFFUUQNLKQSPW-KFWWJZLASA-N 0 3 351.451 -0.619 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](O)C1 ZINC001281920972 847284686 /nfs/dbraw/zinc/28/46/86/847284686.db2.gz HFFDDSKEWAMHPH-AIANPOQGSA-N 0 3 353.463 -0.169 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001281922775 847285956 /nfs/dbraw/zinc/28/59/56/847285956.db2.gz CGIDUAKBHIKVAB-NEPJUHHUSA-N 0 3 351.407 -0.866 20 0 FBADHN CCn1ncc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)c1C ZINC001281925466 847287986 /nfs/dbraw/zinc/28/79/86/847287986.db2.gz JINYQARGZWQJJY-CABCVRRESA-N 0 3 351.451 -0.147 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](O)C1 ZINC001281925794 847288978 /nfs/dbraw/zinc/28/89/78/847288978.db2.gz KANFQHSTCBYPGT-HIFRSBDPSA-N 0 3 351.451 -0.374 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](O)C1 ZINC001281925884 847289505 /nfs/dbraw/zinc/28/95/05/847289505.db2.gz LVHOCQPMGZEOES-CABCVRRESA-N 0 3 351.451 -0.145 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](O)C1 ZINC001281928140 847290448 /nfs/dbraw/zinc/29/04/48/847290448.db2.gz BLUFUNFEWKFJPH-KGLIPLIRSA-N 0 3 350.419 -0.267 20 0 FBADHN CCn1nccc1C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001281928921 847291612 /nfs/dbraw/zinc/29/16/12/847291612.db2.gz DZQVIHSBGKNERT-VHDGCEQUSA-N 0 3 351.451 -0.209 20 0 FBADHN Cc1cc(CC(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)[nH]n1 ZINC001281929117 847291341 /nfs/dbraw/zinc/29/13/41/847291341.db2.gz JJRKXGDLDOBOKN-IJEWVQPXSA-N 0 3 351.451 -0.465 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@@H]1O)N(C)C ZINC001281929335 847291488 /nfs/dbraw/zinc/29/14/88/847291488.db2.gz MPWSDWFDAAHVGN-MBNYWOFBSA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1O)N(C)C ZINC001281929873 847292574 /nfs/dbraw/zinc/29/25/74/847292574.db2.gz RVZWEYJMPPIJNI-ADEWGFFLSA-N 0 3 356.448 -0.264 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)nn1C ZINC001281929916 847292246 /nfs/dbraw/zinc/29/22/46/847292246.db2.gz SNTOAUKNKWBWNV-QLFBSQMISA-N 0 3 351.451 -0.384 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](O)C1 ZINC001281930033 847292474 /nfs/dbraw/zinc/29/24/74/847292474.db2.gz QYPRZTBEPONYKJ-KGLIPLIRSA-N 0 3 350.419 -0.267 20 0 FBADHN Cc1nonc1CC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001281930182 847292018 /nfs/dbraw/zinc/29/20/18/847292018.db2.gz VILNRRGUHVZUDG-VNHYZAJKSA-N 0 3 353.423 -0.805 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001281930256 847292221 /nfs/dbraw/zinc/29/22/21/847292221.db2.gz XBMPLZKRSWCMOS-KWCYVHTRSA-N 0 3 352.439 -0.814 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001281932284 847294453 /nfs/dbraw/zinc/29/44/53/847294453.db2.gz ZWSKDDJOIZCZJC-OLZOCXBDSA-N 0 3 353.423 -0.661 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1)N(C)C ZINC001281934587 847295696 /nfs/dbraw/zinc/29/56/96/847295696.db2.gz DAZOMUPBGGPIEC-MCIONIFRSA-N 0 3 352.439 -0.914 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001281934813 847296443 /nfs/dbraw/zinc/29/64/43/847296443.db2.gz JUYPZPSPSOUOMQ-KGLIPLIRSA-N 0 3 352.439 -0.914 20 0 FBADHN CCc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C1 ZINC001281935345 847296722 /nfs/dbraw/zinc/29/67/22/847296722.db2.gz DPTJEUMKOINSIS-ILXRZTDVSA-N 0 3 351.451 -0.376 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@@H]1O)N(C)C ZINC001281935455 847297964 /nfs/dbraw/zinc/29/79/64/847297964.db2.gz HKROPUIPETVXPL-IPYPFGDCSA-N 0 3 351.451 -0.147 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@@H]1O)N(C)C ZINC001281935460 847297276 /nfs/dbraw/zinc/29/72/76/847297276.db2.gz HQZVDLOJRIAGNG-WOPDTQHZSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@@H]1O)N(C)C ZINC001281935647 847297487 /nfs/dbraw/zinc/29/74/87/847297487.db2.gz OAXYPSNUBZIHPM-XBFCOCLRSA-N 0 3 352.439 -0.499 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@@H]1O)N(C)C ZINC001281935795 847298290 /nfs/dbraw/zinc/29/82/90/847298290.db2.gz QUMMAHOAYGLKDR-ILXRZTDVSA-N 0 3 357.451 -0.790 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@@H]1O)N(C)C ZINC001281935855 847297362 /nfs/dbraw/zinc/29/73/62/847297362.db2.gz UBYLDNPFPJQFGJ-RDBSUJKOSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1O)N(C)C ZINC001281935925 847297536 /nfs/dbraw/zinc/29/75/36/847297536.db2.gz WGQHHDGKDBDBQN-AGIUHOORSA-N 0 3 356.467 -0.823 20 0 FBADHN Cc1c[nH]c(C(=O)N2C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001281936200 847298755 /nfs/dbraw/zinc/29/87/55/847298755.db2.gz ASBJRYGTYYPTCZ-OLZOCXBDSA-N 0 3 351.451 -0.002 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O)CC(C)(C)C ZINC001281936463 847299017 /nfs/dbraw/zinc/29/90/17/847299017.db2.gz FCFXKJLHQNGURZ-OLZOCXBDSA-N 0 3 355.435 -0.460 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001281937028 847300263 /nfs/dbraw/zinc/30/02/63/847300263.db2.gz ULKNRMLLSMVOFY-OLZOCXBDSA-N 0 3 350.419 -0.181 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1O)CC(C)(C)C ZINC001281937103 847300721 /nfs/dbraw/zinc/30/07/21/847300721.db2.gz NPUHDCDDEALPPE-AQRJEWBLSA-N 0 3 353.463 -0.455 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O)CC(C)(C)C ZINC001281937792 847301063 /nfs/dbraw/zinc/30/10/63/847301063.db2.gz SRURSJPRXWVZNN-OCCSQVGLSA-N 0 3 351.451 -0.301 20 0 FBADHN CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1 ZINC001281937885 847301743 /nfs/dbraw/zinc/30/17/43/847301743.db2.gz VTZIOLXRHDAKMM-OLZOCXBDSA-N 0 3 356.467 -0.822 20 0 FBADHN CN(CCN1C(=O)CNC1=O)C[C@H]1CCCN1C(=O)[C@]12C[C@H]1COC2 ZINC001281939751 847302530 /nfs/dbraw/zinc/30/25/30/847302530.db2.gz KUDAMYMXRXCGJE-AHIWAGSCSA-N 0 3 350.419 -0.503 20 0 FBADHN CN(CCN1C(=O)CNC1=O)C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1COC2 ZINC001281939752 847302366 /nfs/dbraw/zinc/30/23/66/847302366.db2.gz KUDAMYMXRXCGJE-DCGLDWPTSA-N 0 3 350.419 -0.503 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001281955408 847308233 /nfs/dbraw/zinc/30/82/33/847308233.db2.gz RKSFTKYJVSIHCF-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001281955409 847308408 /nfs/dbraw/zinc/30/84/08/847308408.db2.gz RKSFTKYJVSIHCF-RRFJBIMHSA-N 0 3 350.463 -0.086 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC001281957898 847307876 /nfs/dbraw/zinc/30/78/76/847307876.db2.gz RISQHJUMNNJPEK-GDBMZVCRSA-N 0 3 350.463 -0.134 20 0 FBADHN CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCNC(=O)NC)[C@@H]2C1)N(C)C ZINC001281959604 847308291 /nfs/dbraw/zinc/30/82/91/847308291.db2.gz KRGLEVOXCQZCHE-HZSPNIEDSA-N 0 3 353.467 -0.295 20 0 FBADHN CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001281960130 847308141 /nfs/dbraw/zinc/30/81/41/847308141.db2.gz BDKOXHBKQDAHCM-CHWSQXEVSA-N 0 3 350.423 -0.615 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001281964304 847310500 /nfs/dbraw/zinc/31/05/00/847310500.db2.gz KDSZZXBVYOHKBX-RBSFLKMASA-N 0 3 350.463 -0.088 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001281964305 847310788 /nfs/dbraw/zinc/31/07/88/847310788.db2.gz KDSZZXBVYOHKBX-RRFJBIMHSA-N 0 3 350.463 -0.088 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]21 ZINC001281965975 847310195 /nfs/dbraw/zinc/31/01/95/847310195.db2.gz JTGZCCGZONRWNP-NFAWXSAZSA-N 0 3 353.467 -0.439 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001281966273 847312158 /nfs/dbraw/zinc/31/21/58/847312158.db2.gz RMQVEJBFRJPYOG-HZSPNIEDSA-N 0 3 351.451 -0.412 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001281966274 847311315 /nfs/dbraw/zinc/31/13/15/847311315.db2.gz RMQVEJBFRJPYOG-MGPQQGTHSA-N 0 3 351.451 -0.412 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001281966396 847311750 /nfs/dbraw/zinc/31/17/50/847311750.db2.gz WQQCFVYYDNSAKQ-QLFBSQMISA-N 0 3 350.463 -0.134 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001281966397 847312046 /nfs/dbraw/zinc/31/20/46/847312046.db2.gz WQQCFVYYDNSAKQ-RBSFLKMASA-N 0 3 350.463 -0.134 20 0 FBADHN CC(=O)N1CC(C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C(C)C)[C@@H]3C2)C1 ZINC001281966519 847311715 /nfs/dbraw/zinc/31/17/15/847311715.db2.gz BBOSFWCBLOCUNR-GDBMZVCRSA-N 0 3 350.463 -0.136 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 ZINC001281966545 847311366 /nfs/dbraw/zinc/31/13/66/847311366.db2.gz CCJUHPPHPPLBTM-HUUCEWRRSA-N 0 3 350.463 -0.088 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@H]21 ZINC001281966936 847311633 /nfs/dbraw/zinc/31/16/33/847311633.db2.gz HKSUIYLWIBCWQM-BZUAXINKSA-N 0 3 352.479 -0.284 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]21 ZINC001281966937 847311989 /nfs/dbraw/zinc/31/19/89/847311989.db2.gz HKSUIYLWIBCWQM-OAGGEKHMSA-N 0 3 352.479 -0.284 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]21 ZINC001281968448 847312804 /nfs/dbraw/zinc/31/28/04/847312804.db2.gz XYYOHYOCMQETPF-QLFBSQMISA-N 0 3 350.463 -0.136 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001281968451 847312989 /nfs/dbraw/zinc/31/29/89/847312989.db2.gz XYYOHYOCMQETPF-RBSFLKMASA-N 0 3 350.463 -0.136 20 0 FBADHN COC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001281969103 847312679 /nfs/dbraw/zinc/31/26/79/847312679.db2.gz SSGJOKJFMLGNMJ-TZMCWYRMSA-N 0 3 352.435 -0.114 20 0 FBADHN CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@H]21)N(C)C ZINC001281971738 847312735 /nfs/dbraw/zinc/31/27/35/847312735.db2.gz YFGKBNZHWPIPTM-IJLUTSLNSA-N 0 3 360.405 -0.233 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001281971960 847313152 /nfs/dbraw/zinc/31/31/52/847313152.db2.gz ONGPPLZATOGJNX-RBSFLKMASA-N 0 3 350.463 -0.086 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001281971961 847312904 /nfs/dbraw/zinc/31/29/04/847312904.db2.gz ONGPPLZATOGJNX-RRFJBIMHSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001281972586 847313953 /nfs/dbraw/zinc/31/39/53/847313953.db2.gz JNANUDOWQQPJNA-VXGBXAGGSA-N 0 3 360.405 -0.233 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001281977500 847314898 /nfs/dbraw/zinc/31/48/98/847314898.db2.gz BCYBKGMQGYDMMA-HZSPNIEDSA-N 0 3 351.451 -0.589 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001281977501 847314872 /nfs/dbraw/zinc/31/48/72/847314872.db2.gz BCYBKGMQGYDMMA-MGPQQGTHSA-N 0 3 351.451 -0.589 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 ZINC001281977744 847314953 /nfs/dbraw/zinc/31/49/53/847314953.db2.gz OBDDCCTZPGMIIF-GDBMZVCRSA-N 0 3 350.463 -0.134 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 ZINC001281977974 847315166 /nfs/dbraw/zinc/31/51/66/847315166.db2.gz SQMXGIMIUAMYCR-HUUCEWRRSA-N 0 3 371.503 -0.178 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001281979401 847315669 /nfs/dbraw/zinc/31/56/69/847315669.db2.gz LQZUDMBDTGTRDP-QLFBSQMISA-N 0 3 350.463 -0.136 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001281979402 847315335 /nfs/dbraw/zinc/31/53/35/847315335.db2.gz LQZUDMBDTGTRDP-RBSFLKMASA-N 0 3 350.463 -0.136 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC3CC3)[C@@H]2C1 ZINC001281985317 847316507 /nfs/dbraw/zinc/31/65/07/847316507.db2.gz INQFHDTUYZZXOB-HUUCEWRRSA-N 0 3 350.463 -0.086 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001281987334 847317719 /nfs/dbraw/zinc/31/77/19/847317719.db2.gz FXOINAYXEMRQIY-UMVBOHGHSA-N 0 3 353.467 -0.439 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001282007114 847320499 /nfs/dbraw/zinc/32/04/99/847320499.db2.gz HOBNJOYPGYSHFM-CHWSQXEVSA-N 0 3 362.496 -0.581 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC)N(C)C ZINC001282007208 847320778 /nfs/dbraw/zinc/32/07/78/847320778.db2.gz IKTXLFPLVYLXAB-UPJWGTAASA-N 0 3 362.496 -0.581 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)n1)N(C)C ZINC001282011945 847321481 /nfs/dbraw/zinc/32/14/81/847321481.db2.gz YGABNANLQYUHRS-UPJWGTAASA-N 0 3 351.455 -0.047 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001282015526 847322957 /nfs/dbraw/zinc/32/29/57/847322957.db2.gz HCRLFARMABMVFT-ZIAGYGMSSA-N 0 3 351.455 -0.051 20 0 FBADHN CCC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001282021206 847322780 /nfs/dbraw/zinc/32/27/80/847322780.db2.gz QXZNYVUDGGTSAA-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN CCC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001282021211 847323139 /nfs/dbraw/zinc/32/31/39/847323139.db2.gz QXZNYVUDGGTSAA-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN CN(C)C1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CS(C)(=O)=O)C2)CCC1 ZINC001282105414 847326508 /nfs/dbraw/zinc/32/65/08/847326508.db2.gz OCEPMFZSFWRJPN-QWHCGFSZSA-N 0 3 359.492 -0.084 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2ncnn2)C1)N(C)C ZINC001282120911 847329614 /nfs/dbraw/zinc/32/96/14/847329614.db2.gz CKHLCLZAFKPMSK-GUTXKFCHSA-N 0 3 351.455 -0.340 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2ncnn2)C1)N(C)C ZINC001282120914 847329059 /nfs/dbraw/zinc/32/90/59/847329059.db2.gz CKHLCLZAFKPMSK-GZBFAFLISA-N 0 3 351.455 -0.340 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001282126773 847330176 /nfs/dbraw/zinc/33/01/76/847330176.db2.gz HBDGRUSJXSUOAM-QWHCGFSZSA-N 0 3 362.496 -0.723 20 0 FBADHN CN(CC(=O)NC[C@H]1CC[C@@H](NC(=O)CS(C)(=O)=O)C1)C1CCC1 ZINC001282134237 847331370 /nfs/dbraw/zinc/33/13/70/847331370.db2.gz UQLNQWDXWIAOEK-QWHCGFSZSA-N 0 3 359.492 -0.084 20 0 FBADHN CC[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1)N(C)C ZINC001282139088 847332261 /nfs/dbraw/zinc/33/22/61/847332261.db2.gz FFBKTAVJTMLWMR-XQQFMLRXSA-N 0 3 362.496 -0.723 20 0 FBADHN CC[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1)N(C)C ZINC001282139089 847332497 /nfs/dbraw/zinc/33/24/97/847332497.db2.gz FFBKTAVJTMLWMR-YNEHKIRRSA-N 0 3 362.496 -0.723 20 0 FBADHN CC[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1)N(C)C ZINC001282139951 847332040 /nfs/dbraw/zinc/33/20/40/847332040.db2.gz RZTPNGMZJODTLJ-XQQFMLRXSA-N 0 3 353.467 -0.071 20 0 FBADHN CC[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1)N(C)C ZINC001282139952 847332107 /nfs/dbraw/zinc/33/21/07/847332107.db2.gz RZTPNGMZJODTLJ-YNEHKIRRSA-N 0 3 353.467 -0.071 20 0 FBADHN CCCN(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC001282143354 847331968 /nfs/dbraw/zinc/33/19/68/847331968.db2.gz JFRDNJRZUMOWHR-QWHCGFSZSA-N 0 3 353.467 -0.070 20 0 FBADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1c1cnn(C)c1 ZINC001282161275 847334645 /nfs/dbraw/zinc/33/46/45/847334645.db2.gz ASUZGDZAUHTHMH-LSDHHAIUSA-N 0 3 351.451 -0.181 20 0 FBADHN CC[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1)N(C)C ZINC001282161624 847334452 /nfs/dbraw/zinc/33/44/52/847334452.db2.gz PXBYAMQRIDENBF-YUTCNCBUSA-N 0 3 359.492 -0.228 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)COC)C1 ZINC001282165179 847335280 /nfs/dbraw/zinc/33/52/80/847335280.db2.gz LOZHEWBIMIDCDV-LSDHHAIUSA-N 0 3 351.451 -0.181 20 0 FBADHN CCO[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001282169453 847335202 /nfs/dbraw/zinc/33/52/02/847335202.db2.gz CMHVZIAZSJFDLP-QLFBSQMISA-N 0 3 356.467 -0.558 20 0 FBADHN CCO[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001282169458 847335144 /nfs/dbraw/zinc/33/51/44/847335144.db2.gz CMHVZIAZSJFDLP-RBSFLKMASA-N 0 3 356.467 -0.558 20 0 FBADHN CCO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001282176613 847337173 /nfs/dbraw/zinc/33/71/73/847337173.db2.gz INERITJZEMHEJZ-CHWSQXEVSA-N 0 3 354.451 -0.674 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001282181022 847339461 /nfs/dbraw/zinc/33/94/61/847339461.db2.gz QYZSVTZGAABUJT-KWCYVHTRSA-N 0 3 352.439 -0.262 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001282181023 847339073 /nfs/dbraw/zinc/33/90/73/847339073.db2.gz QYZSVTZGAABUJT-MRVWCRGKSA-N 0 3 352.439 -0.262 20 0 FBADHN CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1CNC(=O)CC(=O)NC ZINC001282189317 847340198 /nfs/dbraw/zinc/34/01/98/847340198.db2.gz IVXVVEVEWREEQN-HZSPNIEDSA-N 0 3 356.467 -0.558 20 0 FBADHN CCN(CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001282212758 847343157 /nfs/dbraw/zinc/34/31/57/847343157.db2.gz BQAHMIDTKVUPOW-HZSPNIEDSA-N 0 3 353.467 -0.247 20 0 FBADHN CCN(CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001282212759 847343551 /nfs/dbraw/zinc/34/35/51/847343551.db2.gz BQAHMIDTKVUPOW-RDBSUJKOSA-N 0 3 353.467 -0.247 20 0 FBADHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@@H]1CC)N(C)C ZINC001282262260 847348919 /nfs/dbraw/zinc/34/89/19/847348919.db2.gz GRFXEJQOGGYZMY-YNEHKIRRSA-N 0 3 362.496 -0.629 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)CN(C)C(C)C)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001282263893 847348897 /nfs/dbraw/zinc/34/88/97/847348897.db2.gz HLHHMIBMMCTOBW-BFHYXJOUSA-N 0 3 353.467 -0.154 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)CN(C)C(C)C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001282263895 847349156 /nfs/dbraw/zinc/34/91/56/847349156.db2.gz HLHHMIBMMCTOBW-MELADBBJSA-N 0 3 353.467 -0.154 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001282265804 847349766 /nfs/dbraw/zinc/34/97/66/847349766.db2.gz ZMUKKYLJLNOFEE-KGYLQXTDSA-N 0 3 356.448 -0.119 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001282265805 847350354 /nfs/dbraw/zinc/35/03/54/847350354.db2.gz ZMUKKYLJLNOFEE-WCFLWFBJSA-N 0 3 356.448 -0.119 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CN2CN=NC2=O)[C@@H]1CC ZINC001282268677 847351243 /nfs/dbraw/zinc/35/12/43/847351243.db2.gz JYTRSXNFXKFIIN-QWHCGFSZSA-N 0 3 352.439 -0.179 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CCN1C(=O)CNC(=O)NC ZINC001282270379 847351014 /nfs/dbraw/zinc/35/10/14/847351014.db2.gz XUTHEOKRARSFDW-GUTXKFCHSA-N 0 3 355.483 -0.003 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CCN1C(=O)CNC(=O)NC ZINC001282270380 847351502 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GGDTXUNRCCVDPO-RDBSUJKOSA-N 0 3 354.451 -0.011 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@@H]2C1 ZINC001282288639 847354764 /nfs/dbraw/zinc/35/47/64/847354764.db2.gz GIPDFSFVMLMMOS-KGLIPLIRSA-N 0 3 359.492 -0.320 20 0 FBADHN CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]2C1)N(C)C ZINC001282292972 847355700 /nfs/dbraw/zinc/35/57/00/847355700.db2.gz YYDHMLOTFNKKBU-RFQIPJPRSA-N 0 3 353.467 -0.310 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@@H]2C1 ZINC001282293027 847355447 /nfs/dbraw/zinc/35/54/47/847355447.db2.gz KZUSWEFXIIRDDU-HZSPNIEDSA-N 0 3 352.435 -0.258 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]2C1 ZINC001282293028 847355975 /nfs/dbraw/zinc/35/59/75/847355975.db2.gz KZUSWEFXIIRDDU-RDBSUJKOSA-N 0 3 352.435 -0.258 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC001282297555 847356526 /nfs/dbraw/zinc/35/65/26/847356526.db2.gz YAOQYHQTRFXSLR-KGLIPLIRSA-N 0 3 371.503 -0.320 20 0 FBADHN 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ZINC001282299958 847357546 /nfs/dbraw/zinc/35/75/46/847357546.db2.gz YKYPKNJHFPTBPV-QLFBSQMISA-N 0 3 371.503 -0.178 20 0 FBADHN CC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001282300027 847357517 /nfs/dbraw/zinc/35/75/17/847357517.db2.gz ZZYHXVKMJLYDBV-CABCVRRESA-N 0 3 350.463 -0.086 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 ZINC001282305104 847359141 /nfs/dbraw/zinc/35/91/41/847359141.db2.gz QHLAILBKOWWZKG-KGLIPLIRSA-N 0 3 350.463 -0.101 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1C ZINC001282347696 847366835 /nfs/dbraw/zinc/36/68/35/847366835.db2.gz BIRMXHXNMZTLSF-OLZOCXBDSA-N 0 3 362.496 -0.675 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@@H]1C ZINC001282348012 847366760 /nfs/dbraw/zinc/36/67/60/847366760.db2.gz HRDKXRODVULMDO-UPJWGTAASA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@@H]1C ZINC001282348013 847366995 /nfs/dbraw/zinc/36/69/95/847366995.db2.gz 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COCC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001282352169 847369113 /nfs/dbraw/zinc/36/91/13/847369113.db2.gz NZTYZIMPFOAVIZ-KGLIPLIRSA-N 0 3 356.467 -0.463 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)CCNC(=O)COC)[C@H]1C)N(C)C ZINC001282354265 847370122 /nfs/dbraw/zinc/37/01/22/847370122.db2.gz GHIQYGZBESXMQH-HZSPNIEDSA-N 0 3 356.467 -0.415 20 0 FBADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)CCNC(=O)COC)[C@H]1C)N(C)C ZINC001282354267 847370490 /nfs/dbraw/zinc/37/04/90/847370490.db2.gz GHIQYGZBESXMQH-RDBSUJKOSA-N 0 3 356.467 -0.415 20 0 FBADHN CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001282355451 847370503 /nfs/dbraw/zinc/37/05/03/847370503.db2.gz UDEKVGDZOXBSBV-KGLIPLIRSA-N 0 3 353.467 -0.247 20 0 FBADHN CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001282355695 847369845 /nfs/dbraw/zinc/36/98/45/847369845.db2.gz VWUNTFRSJKWBDT-OLZOCXBDSA-N 0 3 355.483 -0.001 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]1C)N(C)C ZINC001282355782 847370329 /nfs/dbraw/zinc/37/03/29/847370329.db2.gz YYMLFNKIJXZEDP-FRRDWIJNSA-N 0 3 362.496 -0.676 20 0 FBADHN CNC(=O)NCCC(=O)N1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001282358877 847371671 /nfs/dbraw/zinc/37/16/71/847371671.db2.gz RYQOIACYAPOQCB-IPYPFGDCSA-N 0 3 355.483 -0.003 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001282359109 847371484 /nfs/dbraw/zinc/37/14/84/847371484.db2.gz CCKBSWPBLKEQCZ-WOPDTQHZSA-N 0 3 353.423 -0.970 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001282359273 847371188 /nfs/dbraw/zinc/37/11/88/847371188.db2.gz IMSRLTKYVASSNQ-WOPDTQHZSA-N 0 3 353.423 -0.968 20 0 FBADHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)[C@@H]1C)N(C)C ZINC001282359910 847371551 /nfs/dbraw/zinc/37/15/51/847371551.db2.gz AYOFXBMKNGVYKN-KGYLQXTDSA-N 0 3 352.435 -0.515 20 0 FBADHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@@H]1C)N(C)C ZINC001282361417 847372170 /nfs/dbraw/zinc/37/21/70/847372170.db2.gz 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CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001282374869 847375738 /nfs/dbraw/zinc/37/57/38/847375738.db2.gz LKRUSOZOBMSBFW-RDBSUJKOSA-N 0 3 359.492 -0.132 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)[C@@H]1C ZINC001282375104 847376102 /nfs/dbraw/zinc/37/61/02/847376102.db2.gz OCGGNZNWZHNAOD-OCCSQVGLSA-N 0 3 359.492 -0.132 20 0 FBADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]1C)N(C)C ZINC001282376861 847376823 /nfs/dbraw/zinc/37/68/23/847376823.db2.gz RNMCVZSBRKMYOW-AGIUHOORSA-N 0 3 362.496 -0.676 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]1C)N(C)C ZINC001282376864 847377297 /nfs/dbraw/zinc/37/72/97/847377297.db2.gz RNMCVZSBRKMYOW-FRRDWIJNSA-N 0 3 362.496 -0.676 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001282388179 847379566 /nfs/dbraw/zinc/37/95/66/847379566.db2.gz MDJGVBMPZRHUSL-MBNYWOFBSA-N 0 3 362.496 -0.773 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN(C)CC(C)(C)C)CCN1C(=O)Cn1cnnn1 ZINC001282390976 847379604 /nfs/dbraw/zinc/37/96/04/847379604.db2.gz CEAQNSVJXSTOHK-OLZOCXBDSA-N 0 3 351.455 -0.243 20 0 FBADHN CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)[C@@H]1C)N(C)C ZINC001282392348 847379074 /nfs/dbraw/zinc/37/90/74/847379074.db2.gz AYOFXBMKNGVYKN-WXHSDQCUSA-N 0 3 352.435 -0.515 20 0 FBADHN C[C@@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)N(C)CCOCCO ZINC001282413674 847381707 /nfs/dbraw/zinc/38/17/07/847381707.db2.gz SKISLJLSSGEBCF-TUAOUCFPSA-N 0 3 358.357 -0.222 20 0 FBADHN C[C@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)N(C)CCOCCO ZINC001282413681 847381665 /nfs/dbraw/zinc/38/16/65/847381665.db2.gz SKISLJLSSGEBCF-UTUOFQBUSA-N 0 3 358.357 -0.222 20 0 FBADHN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)CCN1C(=O)CNC1=O ZINC001282431934 847382965 /nfs/dbraw/zinc/38/29/65/847382965.db2.gz WOMXYMDDUHOSDC-AHIWAGSCSA-N 0 3 352.435 -0.066 20 0 FBADHN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)CCN1C(=O)CNC1=O ZINC001282431937 847382653 /nfs/dbraw/zinc/38/26/53/847382653.db2.gz WOMXYMDDUHOSDC-XNJGSVPQSA-N 0 3 352.435 -0.066 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 ZINC001282439905 847383759 /nfs/dbraw/zinc/38/37/59/847383759.db2.gz PWXPXNFCFZZCFY-SUMWQHHRSA-N 0 3 353.467 -0.307 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001282440957 847384028 /nfs/dbraw/zinc/38/40/28/847384028.db2.gz AMJBAWRHJKJTBI-WMLDXEAASA-N 0 3 371.503 -0.322 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001282441034 847384137 /nfs/dbraw/zinc/38/41/37/847384137.db2.gz DDRKYIXGAUNNAT-DYVFJYSZSA-N 0 3 353.467 -0.438 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@]2(C)C1 ZINC001282442401 847384613 /nfs/dbraw/zinc/38/46/13/847384613.db2.gz KJYOAOZOOCPHNW-SUMWQHHRSA-N 0 3 350.463 -0.101 20 0 FBADHN COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001282442410 847385066 /nfs/dbraw/zinc/38/50/66/847385066.db2.gz KMIXQPWLISGHHD-DYVFJYSZSA-N 0 3 354.451 -0.011 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@]2(C)C1 ZINC001282443152 847384778 /nfs/dbraw/zinc/38/47/78/847384778.db2.gz MWAMBHRTRVJSEC-PBHICJAKSA-N 0 3 371.503 -0.320 20 0 FBADHN CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@@]2(C)C1 ZINC001282443302 847384483 /nfs/dbraw/zinc/38/44/83/847384483.db2.gz PWXPXNFCFZZCFY-DYVFJYSZSA-N 0 3 353.467 -0.307 20 0 FBADHN CN(CC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@@]2(C)C1)C1CCC1 ZINC001282443785 847384717 /nfs/dbraw/zinc/38/47/17/847384717.db2.gz VWOUYBPILUCDFO-PXAZEXFGSA-N 0 3 351.451 -0.554 20 0 FBADHN C[NH+](C)CCOCC(=O)N1C[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@]2(C)C1 ZINC001282445600 847385023 /nfs/dbraw/zinc/38/50/23/847385023.db2.gz JDPLZMSXZIQCMF-WBMJQRKESA-N 0 3 350.423 -0.697 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@]2(C)C1 ZINC001282447153 847385966 /nfs/dbraw/zinc/38/59/66/847385966.db2.gz HGMZJHCQETUJAC-SUMWQHHRSA-N 0 3 350.463 -0.099 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC001282447913 847386003 /nfs/dbraw/zinc/38/60/03/847386003.db2.gz YIDCWSKOOLDZEI-WMLDXEAASA-N 0 3 371.503 -0.320 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@H](C)C1)N(C)C ZINC001282474505 847391185 /nfs/dbraw/zinc/39/11/85/847391185.db2.gz IWWFDTBWTIZGDE-XJFOESAGSA-N 0 3 355.483 -0.160 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)[C@H](C)C1)N(C)C ZINC001282476355 847391579 /nfs/dbraw/zinc/39/15/79/847391579.db2.gz NVFAMMJCPHNRMJ-JHJVBQTASA-N 0 3 353.467 -0.262 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)[C@H](C)C1 ZINC001282476359 847391328 /nfs/dbraw/zinc/39/13/28/847391328.db2.gz NYWDUCBDFHFCMO-CHWSQXEVSA-N 0 3 353.467 -0.262 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1)N(C)C ZINC001282479522 847392072 /nfs/dbraw/zinc/39/20/72/847392072.db2.gz CTBDMZSULRWLGW-NFAWXSAZSA-N 0 3 355.483 -0.158 20 0 FBADHN CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001282482294 847393667 /nfs/dbraw/zinc/39/36/67/847393667.db2.gz LGPSAMMBEMHNMU-ZIAGYGMSSA-N 0 3 351.455 -0.384 20 0 FBADHN CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001282486864 847393151 /nfs/dbraw/zinc/39/31/51/847393151.db2.gz FFIVWPUYUZUXJP-HZSPNIEDSA-N 0 3 353.467 -0.390 20 0 FBADHN CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001282486865 847393360 /nfs/dbraw/zinc/39/33/60/847393360.db2.gz FFIVWPUYUZUXJP-MGPQQGTHSA-N 0 3 353.467 -0.390 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C ZINC001282488544 847394434 /nfs/dbraw/zinc/39/44/34/847394434.db2.gz OFIJBZBXNOMNAP-HZSPNIEDSA-N 0 3 361.508 -0.030 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C ZINC001282488545 847394707 /nfs/dbraw/zinc/39/47/07/847394707.db2.gz OFIJBZBXNOMNAP-MGPQQGTHSA-N 0 3 361.508 -0.030 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001282488730 847394830 /nfs/dbraw/zinc/39/48/30/847394830.db2.gz SMKBOVLIXKJFMC-MCIONIFRSA-N 0 3 353.467 -0.439 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001282488731 847394638 /nfs/dbraw/zinc/39/46/38/847394638.db2.gz SMKBOVLIXKJFMC-MGPQQGTHSA-N 0 3 353.467 -0.439 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](CNC(=O)C(=O)NCC(F)F)[C@H](C)C1)N(C)C ZINC001282491904 847396367 /nfs/dbraw/zinc/39/63/67/847396367.db2.gz PBLXGKANQMPKOX-IJLUTSLNSA-N 0 3 362.421 -0.081 20 0 FBADHN C[C@@H](C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)S(C)(=O)=O ZINC001282492547 847396934 /nfs/dbraw/zinc/39/69/34/847396934.db2.gz JRGYIQLIYKLORA-GRYCIOLGSA-N 0 3 356.448 -0.404 20 0 FBADHN C[C@H](C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)S(C)(=O)=O ZINC001282492548 847397639 /nfs/dbraw/zinc/39/76/39/847397639.db2.gz JRGYIQLIYKLORA-IJLUTSLNSA-N 0 3 356.448 -0.404 20 0 FBADHN CC[C@H](C(=O)NC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C)N(C)C ZINC001282499090 847398306 /nfs/dbraw/zinc/39/83/06/847398306.db2.gz YNKNTYSKFVKOAM-BZUAXINKSA-N 0 3 354.495 -0.131 20 0 FBADHN CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C)N(C)C ZINC001282499091 847398729 /nfs/dbraw/zinc/39/87/29/847398729.db2.gz YNKNTYSKFVKOAM-OAGGEKHMSA-N 0 3 354.495 -0.131 20 0 FBADHN CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)N(C)C ZINC001282499290 847398624 /nfs/dbraw/zinc/39/86/24/847398624.db2.gz HOUSJTVCNCKDCR-NFAWXSAZSA-N 0 3 355.483 -0.158 20 0 FBADHN CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)N(C)C ZINC001282499291 847398777 /nfs/dbraw/zinc/39/87/77/847398777.db2.gz HOUSJTVCNCKDCR-UMVBOHGHSA-N 0 3 355.483 -0.158 20 0 FBADHN CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]1C ZINC001282500157 847398813 /nfs/dbraw/zinc/39/88/13/847398813.db2.gz RQSDMLYCIWHWJZ-HZSPNIEDSA-N 0 3 355.483 -0.014 20 0 FBADHN CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C ZINC001282500159 847398155 /nfs/dbraw/zinc/39/81/55/847398155.db2.gz RQSDMLYCIWHWJZ-MGPQQGTHSA-N 0 3 355.483 -0.014 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001282500202 847398172 /nfs/dbraw/zinc/39/81/72/847398172.db2.gz SPPJLRLKGMSHIQ-NFAWXSAZSA-N 0 3 355.483 -0.288 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001282500205 847398769 /nfs/dbraw/zinc/39/87/69/847398769.db2.gz SPPJLRLKGMSHIQ-UMVBOHGHSA-N 0 3 355.483 -0.288 20 0 FBADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001282500384 847398548 /nfs/dbraw/zinc/39/85/48/847398548.db2.gz UFSXQRQIBOFBKU-ZYHUDNBSSA-N 0 3 368.459 -0.484 20 0 FBADHN CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001282500538 847398452 /nfs/dbraw/zinc/39/84/52/847398452.db2.gz ZBXGRSVGLFCSRZ-CHWSQXEVSA-N 0 3 359.492 -0.417 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001282501455 847399832 /nfs/dbraw/zinc/39/98/32/847399832.db2.gz GXLRFHBTGWADFS-MCIONIFRSA-N 0 3 353.467 -0.438 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001282501458 847399385 /nfs/dbraw/zinc/39/93/85/847399385.db2.gz GXLRFHBTGWADFS-MGPQQGTHSA-N 0 3 353.467 -0.438 20 0 FBADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001282508346 847400600 /nfs/dbraw/zinc/40/06/00/847400600.db2.gz FKFURECKAGXRBL-CHWSQXEVSA-N 0 3 350.463 -0.053 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CNC(=O)C(N)=O ZINC001282509463 847400583 /nfs/dbraw/zinc/40/05/83/847400583.db2.gz RKIGDHWCXOGNAC-PSTGCABASA-N 0 3 356.442 -0.105 20 0 FBADHN C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CNC(=O)C(N)=O ZINC001282509464 847400525 /nfs/dbraw/zinc/40/05/25/847400525.db2.gz RKIGDHWCXOGNAC-QFSBIZTOSA-N 0 3 356.442 -0.105 20 0 FBADHN COC(=O)NCC(=O)N1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001282514062 847401976 /nfs/dbraw/zinc/40/19/76/847401976.db2.gz DXPABXSCXLKNGX-BFHYXJOUSA-N 0 3 354.451 -0.105 20 0 FBADHN COC(=O)NCC(=O)N1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001282514063 847401578 /nfs/dbraw/zinc/40/15/78/847401578.db2.gz DXPABXSCXLKNGX-MGPQQGTHSA-N 0 3 354.451 -0.105 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001282514380 847401716 /nfs/dbraw/zinc/40/17/16/847401716.db2.gz MJMJNHKHCCCTFR-BFHYXJOUSA-N 0 3 353.467 -0.532 20 0 FBADHN CNC(=O)NCC(=O)N1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001282514381 847401605 /nfs/dbraw/zinc/40/16/05/847401605.db2.gz MJMJNHKHCCCTFR-MGPQQGTHSA-N 0 3 353.467 -0.532 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1)N(C)C ZINC001282522026 847403175 /nfs/dbraw/zinc/40/31/75/847403175.db2.gz YNALQGIWWZAVNQ-MGPQQGTHSA-N 0 3 351.455 -0.386 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001282537285 847405257 /nfs/dbraw/zinc/40/52/57/847405257.db2.gz UVCBTDFAMILGAJ-HZSPNIEDSA-N 0 3 355.483 -0.016 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001282541585 847406337 /nfs/dbraw/zinc/40/63/37/847406337.db2.gz GSYVVCZBEOOQHI-ZIAGYGMSSA-N 0 3 351.455 -0.384 20 0 FBADHN CCN(CC)CC(=O)NCC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001282541649 847406670 /nfs/dbraw/zinc/40/66/70/847406670.db2.gz IYFGLBRIRGQRNN-CHWSQXEVSA-N 0 3 351.455 -0.234 20 0 FBADHN CC[C@H](C(=O)NCC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)N(C)C ZINC001282545155 847406319 /nfs/dbraw/zinc/40/63/19/847406319.db2.gz LJYXEIQBIPSOJK-MGPQQGTHSA-N 0 3 355.483 -0.014 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001282554217 847407319 /nfs/dbraw/zinc/40/73/19/847407319.db2.gz VMKZCYRKENQJND-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN CC(=O)N1CCN(C(=O)CCCN2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001282592590 847410632 /nfs/dbraw/zinc/41/06/32/847410632.db2.gz BTJNCZVSYDJMID-CABCVRRESA-N 0 3 357.476 -0.281 20 0 FBADHN CCC(=O)N1CCN(C(=O)CCCCN(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001282595305 847410667 /nfs/dbraw/zinc/41/06/67/847410667.db2.gz MMPJWVCTGWAHGB-KGLIPLIRSA-N 0 3 359.492 -0.035 20 0 FBADHN CN(C)CCCC(=O)N1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001282596224 847410881 /nfs/dbraw/zinc/41/08/81/847410881.db2.gz QUDPOZOOMFEQIZ-LSDHHAIUSA-N 0 3 371.503 -0.035 20 0 FBADHN CCNC(=O)CNCC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 ZINC001282619421 847416484 /nfs/dbraw/zinc/41/64/84/847416484.db2.gz UARMIKIYIFXFEC-QWHCGFSZSA-N 0 3 354.451 -0.436 20 0 FBADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)N(C)C ZINC001282621377 847417609 /nfs/dbraw/zinc/41/76/09/847417609.db2.gz MWIWZGWDOCODJM-ZUWCUPBKSA-N 0 3 353.467 -0.123 20 0 FBADHN C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001282629938 847419199 /nfs/dbraw/zinc/41/91/99/847419199.db2.gz GPFGWVUHHUUTBS-CRWXNKLISA-N 0 3 351.451 -0.223 20 0 FBADHN C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001282629939 847419214 /nfs/dbraw/zinc/41/92/14/847419214.db2.gz GPFGWVUHHUUTBS-MQYQWHSLSA-N 0 3 351.451 -0.223 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCS(=O)(=O)NC ZINC001282632012 847419234 /nfs/dbraw/zinc/41/92/34/847419234.db2.gz IBULOKMNSFKLTL-RDBSUJKOSA-N 0 3 374.507 -0.484 20 0 FBADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2)N(C)C ZINC001282632593 847418940 /nfs/dbraw/zinc/41/89/40/847418940.db2.gz PHNSRDKAHBTSQW-VOAKCMCISA-N 0 3 360.480 -0.876 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CS(=O)(=O)NC ZINC001282632940 847419171 /nfs/dbraw/zinc/41/91/71/847419171.db2.gz SHVOFRNZMUFFAK-AGIUHOORSA-N 0 3 360.480 -0.875 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)NC ZINC001282633436 847419013 /nfs/dbraw/zinc/41/90/13/847419013.db2.gz WWQTXTRGGSHNLY-RDBSUJKOSA-N 0 3 353.467 -0.105 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001282633958 847420250 /nfs/dbraw/zinc/42/02/50/847420250.db2.gz OAFLFAPXQRCIHE-RDBSUJKOSA-N 0 3 372.491 -0.730 20 0 FBADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)CC)C2)N(C)C ZINC001282640703 847421366 /nfs/dbraw/zinc/42/13/66/847421366.db2.gz RXOCQXJAQJGPIY-RQJABVFESA-N 0 3 374.507 -0.486 20 0 FBADHN CNS(=O)(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(C)C)C2 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ZINC001289145719 847655040 /nfs/dbraw/zinc/65/50/40/847655040.db2.gz HPYXGMDZKRECNL-ZIAGYGMSSA-N 0 3 359.442 -0.218 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1O)N(C)C ZINC001289145967 847655380 /nfs/dbraw/zinc/65/53/80/847655380.db2.gz KDUPEGFHXPRQCD-IIAWOOMASA-N 0 3 351.451 -0.384 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1O ZINC001289146285 847655458 /nfs/dbraw/zinc/65/54/58/847655458.db2.gz OTERPLHKOOWEPQ-ZIAGYGMSSA-N 0 3 350.419 -0.261 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1O ZINC001289146297 847655264 /nfs/dbraw/zinc/65/52/64/847655264.db2.gz PHINGDAGAMNCMK-ZIAGYGMSSA-N 0 3 350.419 -0.267 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1O ZINC001289146652 847656623 /nfs/dbraw/zinc/65/66/23/847656623.db2.gz VTBRMSSISRWCIK-ZIAGYGMSSA-N 0 3 351.451 -0.320 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1O ZINC001289146681 847656589 /nfs/dbraw/zinc/65/65/89/847656589.db2.gz WSADIQGWLCKTGP-VXGBXAGGSA-N 0 3 357.842 -0.283 20 0 FBADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1O)N1CCCC1 ZINC001289148207 847657202 /nfs/dbraw/zinc/65/72/02/847657202.db2.gz YHHXVXLXSQUXNT-HUUCEWRRSA-N 0 3 353.463 -0.025 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1)N(C)C ZINC001289152719 847658337 /nfs/dbraw/zinc/65/83/37/847658337.db2.gz VHYUVVLHPAMVNU-MGPQQGTHSA-N 0 3 351.451 -0.619 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001289152994 847658766 /nfs/dbraw/zinc/65/87/66/847658766.db2.gz CZKOMYMUINZVOA-HZSPNIEDSA-N 0 3 354.451 -0.975 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001289152995 847658543 /nfs/dbraw/zinc/65/85/43/847658543.db2.gz CZKOMYMUINZVOA-MGPQQGTHSA-N 0 3 354.451 -0.975 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001289175221 847665964 /nfs/dbraw/zinc/66/59/64/847665964.db2.gz OSHWHOYJJYNIIN-TZMCWYRMSA-N 0 3 352.439 -0.669 20 0 FBADHN CCn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001289181767 847667805 /nfs/dbraw/zinc/66/78/05/847667805.db2.gz DZQVIHSBGKNERT-BPLDGKMQSA-N 0 3 351.451 -0.209 20 0 FBADHN Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)[nH]n1 ZINC001289181951 847667640 /nfs/dbraw/zinc/66/76/40/847667640.db2.gz JJRKXGDLDOBOKN-IIAWOOMASA-N 0 3 351.451 -0.465 20 0 FBADHN Cc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001289181986 847667847 /nfs/dbraw/zinc/66/78/47/847667847.db2.gz KHSPVXQWEKKELU-RBSFLKMASA-N 0 3 351.451 -0.384 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1O)N(C)C ZINC001289182244 847667613 /nfs/dbraw/zinc/66/76/13/847667613.db2.gz RQZLJCXEQDMHQA-IIAWOOMASA-N 0 3 351.451 -0.453 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O)N(C)C ZINC001289182294 847667664 /nfs/dbraw/zinc/66/76/64/847667664.db2.gz UKKPVKSVYAGOMQ-RBSFLKMASA-N 0 3 350.419 -0.792 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001289182369 847667724 /nfs/dbraw/zinc/66/77/24/847667724.db2.gz XBMPLZKRSWCMOS-MRVWCRGKSA-N 0 3 352.439 -0.814 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001289182463 847667861 /nfs/dbraw/zinc/66/78/61/847667861.db2.gz ZYCIFVORRYXHHE-XJKCOSOUSA-N 0 3 356.467 -0.823 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1)N(C)C ZINC001289188681 847670072 /nfs/dbraw/zinc/67/00/72/847670072.db2.gz LQPOIAIFLUXPFC-XJKCOSOUSA-N 0 3 356.467 -0.694 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1)N(C)C ZINC001289189266 847671018 /nfs/dbraw/zinc/67/10/18/847671018.db2.gz DAZOMUPBGGPIEC-HZSPNIEDSA-N 0 3 352.439 -0.914 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1)N(C)C ZINC001289189267 847671053 /nfs/dbraw/zinc/67/10/53/847671053.db2.gz DAZOMUPBGGPIEC-MGPQQGTHSA-N 0 3 352.439 -0.914 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1O)N(C)C ZINC001289191030 847672042 /nfs/dbraw/zinc/67/20/42/847672042.db2.gz CUJIIFDGKWPHPP-HZSPNIEDSA-N 0 3 355.414 -0.506 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1O)N(C)C ZINC001289191490 847672117 /nfs/dbraw/zinc/67/21/17/847672117.db2.gz IGYQLXRUYXBNRY-HZSPNIEDSA-N 0 3 350.419 -0.263 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O)CC(C)(C)C ZINC001289191748 847672239 /nfs/dbraw/zinc/67/22/39/847672239.db2.gz JMRRGMSVUXHSJX-DGCLKSJQSA-N 0 3 352.439 -0.906 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O)CC(C)(C)C ZINC001289191844 847671963 /nfs/dbraw/zinc/67/19/63/847671963.db2.gz LMZRQDIUNLOZDJ-CHWSQXEVSA-N 0 3 351.451 -0.382 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001289191846 847672174 /nfs/dbraw/zinc/67/21/74/847672174.db2.gz LPCBXRDNLDHBHE-JHJVBQTASA-N 0 3 356.467 -0.836 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001289191847 847672276 /nfs/dbraw/zinc/67/22/76/847672276.db2.gz LPCBXRDNLDHBHE-YNEHKIRRSA-N 0 3 356.467 -0.836 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1O)N(C)C ZINC001289191850 847672073 /nfs/dbraw/zinc/67/20/73/847672073.db2.gz LRDAMVIJSLWPRA-LXTVHRRPSA-N 0 3 356.467 -0.825 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1O)N(C)C ZINC001289191860 847671770 /nfs/dbraw/zinc/67/17/70/847671770.db2.gz LWDPMWYPTYJSKC-FRRDWIJNSA-N 0 3 353.423 -0.930 20 0 FBADHN CCc1c[nH]c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C2)n1 ZINC001289191864 847672352 /nfs/dbraw/zinc/67/23/52/847672352.db2.gz LYNUVFJJSZELGJ-HZSPNIEDSA-N 0 3 351.451 -0.457 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O)CC(C)(C)C ZINC001289192272 847672305 /nfs/dbraw/zinc/67/23/05/847672305.db2.gz QRKYWHDVUWZSLL-VXGBXAGGSA-N 0 3 355.414 -0.172 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1O)N(C)C ZINC001289192274 847672019 /nfs/dbraw/zinc/67/20/19/847672019.db2.gz QUQWVYZNJUVOSO-GRYCIOLGSA-N 0 3 370.475 -0.069 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1O)N(C)C ZINC001289192483 847672194 /nfs/dbraw/zinc/67/21/94/847672194.db2.gz RAPPLKMMDIXGIW-GRYCIOLGSA-N 0 3 359.377 -0.080 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O)CC(C)(C)C ZINC001289192484 847671822 /nfs/dbraw/zinc/67/18/22/847671822.db2.gz RBEDTDJHTGCXKE-VXGBXAGGSA-N 0 3 352.439 -0.906 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cccnc2OC)C[C@H]1O)N(C)C ZINC001289192492 847672106 /nfs/dbraw/zinc/67/21/06/847672106.db2.gz RMFPGVFYKFASTE-HZSPNIEDSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1O)N(C)C ZINC001289192923 847672091 /nfs/dbraw/zinc/67/20/91/847672091.db2.gz VUOYZGOEESCOGZ-QLFBSQMISA-N 0 3 351.451 -0.701 20 0 FBADHN CCCNC(=O)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001289192955 847673200 /nfs/dbraw/zinc/67/32/00/847673200.db2.gz WOHMPKBHWIQTQA-HZSPNIEDSA-N 0 3 356.467 -0.679 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1O)N(C)C ZINC001289193014 847673334 /nfs/dbraw/zinc/67/33/34/847673334.db2.gz XWNVGJOZRYZDBR-OUAUKWLOSA-N 0 3 368.459 -0.511 20 0 FBADHN CCn1nc(C)cc1C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001289198231 847675647 /nfs/dbraw/zinc/67/56/47/847675647.db2.gz LWPLAAFGKWLMPD-UKRRQHHQSA-N 0 3 351.451 -0.147 20 0 FBADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1)CC(C)(C)C ZINC001289202231 847675615 /nfs/dbraw/zinc/67/56/15/847675615.db2.gz DYUHWPHTIPFLMT-ZIAGYGMSSA-N 0 3 351.451 -0.382 20 0 FBADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001289289453 847684068 /nfs/dbraw/zinc/68/40/68/847684068.db2.gz YLHZUFNJKQNDMP-CHWSQXEVSA-N 0 3 353.467 -0.247 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001289298610 847684639 /nfs/dbraw/zinc/68/46/39/847684639.db2.gz AAOKKXGZFUMLIQ-CHWSQXEVSA-N 0 3 362.496 -0.769 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1)N(C)C ZINC001289298915 847684685 /nfs/dbraw/zinc/68/46/85/847684685.db2.gz FPDPVQNIQSUVBW-JHJVBQTASA-N 0 3 362.496 -0.771 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1)N(C)C ZINC001289298926 847685119 /nfs/dbraw/zinc/68/51/19/847685119.db2.gz FPDPVQNIQSUVBW-UPJWGTAASA-N 0 3 362.496 -0.771 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1)N(C)C ZINC001289320030 847688227 /nfs/dbraw/zinc/68/82/27/847688227.db2.gz NCNLDZLRBFPQGO-UPJWGTAASA-N 0 3 362.496 -0.819 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCNC(=O)COC)C1)N(C)C ZINC001289320497 847689053 /nfs/dbraw/zinc/68/90/53/847689053.db2.gz XLTKXDYQQHASCP-MCIONIFRSA-N 0 3 356.467 -0.558 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCNC(=O)COC)C1)N(C)C ZINC001289320498 847688870 /nfs/dbraw/zinc/68/88/70/847688870.db2.gz XLTKXDYQQHASCP-MGPQQGTHSA-N 0 3 356.467 -0.558 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001289320559 847689442 /nfs/dbraw/zinc/68/94/42/847689442.db2.gz 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C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001289327273 847691385 /nfs/dbraw/zinc/69/13/85/847691385.db2.gz YOIIYXKVAPSLPJ-HZSPNIEDSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001289327274 847691348 /nfs/dbraw/zinc/69/13/48/847691348.db2.gz YOIIYXKVAPSLPJ-MGPQQGTHSA-N 0 3 350.463 -0.040 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C)N(C)C ZINC001289328850 847691304 /nfs/dbraw/zinc/69/13/04/847691304.db2.gz RDSMXHNHZRJIIX-UPJWGTAASA-N 0 3 353.467 -0.263 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001289331406 847691212 /nfs/dbraw/zinc/69/12/12/847691212.db2.gz FVSUYBUUGGBVOX-BMFZPTHFSA-N 0 3 352.479 -0.236 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001289331407 847691248 /nfs/dbraw/zinc/69/12/48/847691248.db2.gz FVSUYBUUGGBVOX-FVQBIDKESA-N 0 3 352.479 -0.236 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001289331588 847691518 /nfs/dbraw/zinc/69/15/18/847691518.db2.gz IRAGZDKLSCAVJU-ZIAGYGMSSA-N 0 3 354.451 -0.852 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1)N(C)C ZINC001289345281 847692800 /nfs/dbraw/zinc/69/28/00/847692800.db2.gz PMTYVXCEASQYBK-NQBHXWOUSA-N 0 3 362.421 -0.083 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1)N(C)C ZINC001289345282 847692674 /nfs/dbraw/zinc/69/26/74/847692674.db2.gz PMTYVXCEASQYBK-WZRBSPASSA-N 0 3 362.421 -0.083 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001289345426 847693535 /nfs/dbraw/zinc/69/35/35/847693535.db2.gz SPEJOXIEKRRQAZ-TZMCWYRMSA-N 0 3 359.492 -0.274 20 0 FBADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)CCS(C)(=O)=O ZINC001289347398 847693662 /nfs/dbraw/zinc/69/36/62/847693662.db2.gz MZARHZGCFRCVJN-TZMCWYRMSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1NC(=O)CCS(C)(=O)=O ZINC001289347962 847693454 /nfs/dbraw/zinc/69/34/54/847693454.db2.gz WEEZQWCAKLFZHG-HZSPNIEDSA-N 0 3 359.492 -0.132 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1NC(=O)CCS(C)(=O)=O ZINC001289347963 847693607 /nfs/dbraw/zinc/69/36/07/847693607.db2.gz WEEZQWCAKLFZHG-MGPQQGTHSA-N 0 3 359.492 -0.132 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1)N(C)C ZINC001289348022 847693745 /nfs/dbraw/zinc/69/37/45/847693745.db2.gz YBBPXLOUPSVVKH-NFAWXSAZSA-N 0 3 361.508 -0.030 20 0 FBADHN CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1)N(C)C ZINC001289348025 847693348 /nfs/dbraw/zinc/69/33/48/847693348.db2.gz YBBPXLOUPSVVKH-UMVBOHGHSA-N 0 3 361.508 -0.030 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001289352683 847694752 /nfs/dbraw/zinc/69/47/52/847694752.db2.gz UWSUDPBXZWOTNF-ZIAGYGMSSA-N 0 3 353.467 -0.293 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001289354155 847694588 /nfs/dbraw/zinc/69/45/88/847694588.db2.gz PWLLMOATJIWRMW-HZSPNIEDSA-N 0 3 359.492 -0.276 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001289354156 847694782 /nfs/dbraw/zinc/69/47/82/847694782.db2.gz PWLLMOATJIWRMW-MGPQQGTHSA-N 0 3 359.492 -0.276 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C)N(C)C ZINC001289366647 847696592 /nfs/dbraw/zinc/69/65/92/847696592.db2.gz XXEJXJMVVZWURX-JHJVBQTASA-N 0 3 362.496 -0.819 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C)N(C)C ZINC001289366648 847696766 /nfs/dbraw/zinc/69/67/66/847696766.db2.gz XXEJXJMVVZWURX-UPJWGTAASA-N 0 3 362.496 -0.819 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001289374121 847697934 /nfs/dbraw/zinc/69/79/34/847697934.db2.gz BXAGCJFWQXREFF-HZSPNIEDSA-N 0 3 359.492 -0.274 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001289374122 847698122 /nfs/dbraw/zinc/69/81/22/847698122.db2.gz BXAGCJFWQXREFF-MGPQQGTHSA-N 0 3 359.492 -0.274 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001289374174 847697970 /nfs/dbraw/zinc/69/79/70/847697970.db2.gz WJKQZXPWAKGQLE-ZWNOBZJWSA-N 0 3 371.463 -0.885 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C)N(C)C ZINC001289374784 847698257 /nfs/dbraw/zinc/69/82/57/847698257.db2.gz NULUFNLVZMJGKW-BZPMIXESSA-N 0 3 352.439 -0.467 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C)N(C)C ZINC001289374785 847697780 /nfs/dbraw/zinc/69/77/80/847697780.db2.gz NULUFNLVZMJGKW-YRGRVCCFSA-N 0 3 352.439 -0.467 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C ZINC001289374829 847697881 /nfs/dbraw/zinc/69/78/81/847697881.db2.gz PHPKFQWAAHFUCM-ZIAGYGMSSA-N 0 3 353.467 -0.293 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001289393012 847699859 /nfs/dbraw/zinc/69/98/59/847699859.db2.gz IDPDUGMTLVPPOJ-GZBFAFLISA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)C(=O)NCC3CC3)C2)C1 ZINC001289393013 847700015 /nfs/dbraw/zinc/70/00/15/847700015.db2.gz IDPDUGMTLVPPOJ-UMVBOHGHSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001289393270 847700291 /nfs/dbraw/zinc/70/02/91/847700291.db2.gz OYTJAYUSWGSSCA-UMVBOHGHSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001289393271 847700266 /nfs/dbraw/zinc/70/02/66/847700266.db2.gz OYTJAYUSWGSSCA-VNHYZAJKSA-N 0 3 350.463 -0.040 20 0 FBADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001289393646 847700317 /nfs/dbraw/zinc/70/03/17/847700317.db2.gz VYQFNMSZFOZHPO-TZMCWYRMSA-N 0 3 350.463 -0.040 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001289398859 847700220 /nfs/dbraw/zinc/70/02/20/847700220.db2.gz JZMNIKGHAHMZRW-CHWSQXEVSA-N 0 3 362.496 -0.640 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C)N(C)C ZINC001289405805 847700837 /nfs/dbraw/zinc/70/08/37/847700837.db2.gz GUEPMBDOBGZYGD-UMVBOHGHSA-N 0 3 361.508 -0.030 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1C)N(C)C ZINC001289416254 847702291 /nfs/dbraw/zinc/70/22/91/847702291.db2.gz GXJXNYRCUKJISF-UPJWGTAASA-N 0 3 355.483 -0.003 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C)N(C)C ZINC001289416779 847701987 /nfs/dbraw/zinc/70/19/87/847701987.db2.gz PCOOKICSZRWTFY-UPJWGTAASA-N 0 3 362.496 -0.771 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C)N(C)C ZINC001289416783 847701895 /nfs/dbraw/zinc/70/18/95/847701895.db2.gz PFKMTLVFZGPFLH-MXWKQRLJSA-N 0 3 366.384 -0.032 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C)N(C)C ZINC001289416882 847701956 /nfs/dbraw/zinc/70/19/56/847701956.db2.gz QNNSZBRJOKRGCZ-MCIONIFRSA-N 0 3 353.467 -0.295 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001289425367 847702910 /nfs/dbraw/zinc/70/29/10/847702910.db2.gz HWRXXUBPQLWPRI-FRRDWIJNSA-N 0 3 362.496 -0.771 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001289425368 847703416 /nfs/dbraw/zinc/70/34/16/847703416.db2.gz HWRXXUBPQLWPRI-JHJVBQTASA-N 0 3 362.496 -0.771 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cn1 ZINC001289437855 847705089 /nfs/dbraw/zinc/70/50/89/847705089.db2.gz UALIIXPMBUDHRI-AEGPPILISA-N 0 3 369.491 -0.408 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cn1 ZINC001289437857 847705361 /nfs/dbraw/zinc/70/53/61/847705361.db2.gz UALIIXPMBUDHRI-QEJZJMRPSA-N 0 3 369.491 -0.408 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cn1 ZINC001289437859 847705259 /nfs/dbraw/zinc/70/52/59/847705259.db2.gz UALIIXPMBUDHRI-SNPRPXQTSA-N 0 3 369.491 -0.408 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cn1 ZINC001289437861 847705187 /nfs/dbraw/zinc/70/51/87/847705187.db2.gz UALIIXPMBUDHRI-VHDGCEQUSA-N 0 3 369.491 -0.408 20 0 FBADHN CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1NC(=O)CN1CCCC1=O ZINC001289443137 847707335 /nfs/dbraw/zinc/70/73/35/847707335.db2.gz KCLDORXRSUSUFT-ZIAGYGMSSA-N 0 3 354.451 -0.709 20 0 FBADHN CO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001289445335 847708446 /nfs/dbraw/zinc/70/84/46/847708446.db2.gz ALPOHCFBWGWEOQ-BPLDGKMQSA-N 0 3 354.451 -0.852 20 0 FBADHN CO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001289445336 847708382 /nfs/dbraw/zinc/70/83/82/847708382.db2.gz ALPOHCFBWGWEOQ-NWANDNLSSA-N 0 3 354.451 -0.852 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@H](OC)C1 ZINC001289445539 847708598 /nfs/dbraw/zinc/70/85/98/847708598.db2.gz GHNYEYNGKWLWIK-MCIONIFRSA-N 0 3 357.451 -0.526 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2COCCO2)[C@H](OC)C1 ZINC001289445540 847708182 /nfs/dbraw/zinc/70/81/82/847708182.db2.gz GHNYEYNGKWLWIK-MGPQQGTHSA-N 0 3 357.451 -0.526 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](OC)C1 ZINC001289453657 847711535 /nfs/dbraw/zinc/71/15/35/847711535.db2.gz QPPLQVSVKDAFCM-HUUCEWRRSA-N 0 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/nfs/dbraw/zinc/77/84/40/847778440.db2.gz DYICZEXSGDFIPX-KGLIPLIRSA-N 0 3 356.467 -0.823 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@@H]1O ZINC001289647294 847778635 /nfs/dbraw/zinc/77/86/35/847778635.db2.gz HICJBVKFIHIFKZ-NEPJUHHUSA-N 0 3 359.377 -0.011 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1O ZINC001289647484 847778701 /nfs/dbraw/zinc/77/87/01/847778701.db2.gz KWKDWRPLXFAVON-CABCVRRESA-N 0 3 352.410 -0.209 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1O ZINC001289647666 847778377 /nfs/dbraw/zinc/77/83/77/847778377.db2.gz MOSJSIRXWJGTMW-CABCVRRESA-N 0 3 351.451 -0.619 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1O)N1CCCC1 ZINC001289647706 847778685 /nfs/dbraw/zinc/77/86/85/847778685.db2.gz NNEVVXFKPSGHCX-KWCYVHTRSA-N 0 3 367.475 -0.040 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1O)N1CCCC1 ZINC001289647708 847778648 /nfs/dbraw/zinc/77/86/48/847778648.db2.gz NNEVVXFKPSGHCX-XBFCOCLRSA-N 0 3 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CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@@H]1O ZINC001289647920 847778515 /nfs/dbraw/zinc/77/85/15/847778515.db2.gz UBRJICBQURJJDF-ZNMIVQPWSA-N 0 3 351.451 -0.138 20 0 FBADHN CCn1nc(C)cc1C(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001289648029 847778807 /nfs/dbraw/zinc/77/88/07/847778807.db2.gz UXXOTVUCHKYNPU-HIFRSBDPSA-N 0 3 351.451 -0.147 20 0 FBADHN COCCCOCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001289648516 847779836 /nfs/dbraw/zinc/77/98/36/847779836.db2.gz CVYQBPFNAPMTQG-KGLIPLIRSA-N 0 3 357.451 -0.788 20 0 FBADHN Cc1cc(OCC(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)no1 ZINC001289648748 847779493 /nfs/dbraw/zinc/77/94/93/847779493.db2.gz IGINNNBIVQFGBE-OLZOCXBDSA-N 0 3 354.407 -0.610 20 0 FBADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)CC3=CCOCC3)C[C@@H]2O)CCC1 ZINC001289648965 847779716 /nfs/dbraw/zinc/77/97/16/847779716.db2.gz MLKJYMXFXUYRMX-CABCVRRESA-N 0 3 351.447 -0.105 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)COc2cc(C)on2)[C@@H](O)C1)N(C)C ZINC001289648991 847780578 /nfs/dbraw/zinc/78/05/78/847780578.db2.gz NJOMTBIDLMMOCV-UPJWGTAASA-N 0 3 354.407 -0.610 20 0 FBADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3Cl)C[C@@H]2O)CCC1 ZINC001289649192 847780565 /nfs/dbraw/zinc/78/05/65/847780565.db2.gz QGTRGTCQSLQWGW-NEPJUHHUSA-N 0 3 369.853 -0.141 20 0 FBADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)CCCOC3)C[C@@H]2O)CCC1 ZINC001289649302 847780847 /nfs/dbraw/zinc/78/08/47/847780847.db2.gz SIUDHOSIFWBWHH-JKIFEVAISA-N 0 3 353.463 -0.025 20 0 FBADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@]3(C)CCCOC3)C[C@@H]2O)CCC1 ZINC001289649306 847780806 /nfs/dbraw/zinc/78/08/06/847780806.db2.gz SIUDHOSIFWBWHH-KEYYUXOJSA-N 0 3 353.463 -0.025 20 0 FBADHN Cc1cc(CC(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)[nH]n1 ZINC001289650326 847780826 /nfs/dbraw/zinc/78/08/26/847780826.db2.gz JJRKXGDLDOBOKN-YCPHGPKFSA-N 0 3 351.451 -0.465 20 0 FBADHN Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289650352 847781947 /nfs/dbraw/zinc/78/19/47/847781947.db2.gz KHSPVXQWEKKELU-ILXRZTDVSA-N 0 3 351.451 -0.384 20 0 FBADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289650384 847781765 /nfs/dbraw/zinc/78/17/65/847781765.db2.gz KPWMVLPNAMTWRG-RDBSUJKOSA-N 0 3 356.467 -0.825 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1O)N(C)C ZINC001289650553 847781532 /nfs/dbraw/zinc/78/15/32/847781532.db2.gz MQNMNPBATIYTAP-IPYPFGDCSA-N 0 3 354.476 -0.040 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1O)N(C)C ZINC001289650687 847781820 /nfs/dbraw/zinc/78/18/20/847781820.db2.gz RQZLJCXEQDMHQA-YCPHGPKFSA-N 0 3 351.451 -0.453 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O)N(C)C ZINC001289650873 847781779 /nfs/dbraw/zinc/78/17/79/847781779.db2.gz UKKPVKSVYAGOMQ-ILXRZTDVSA-N 0 3 350.419 -0.792 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)n1 ZINC001289650893 847781919 /nfs/dbraw/zinc/78/19/19/847781919.db2.gz UQUSDRDVIIEGSP-RDBSUJKOSA-N 0 3 352.439 -0.814 20 0 FBADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC001289651061 847781676 /nfs/dbraw/zinc/78/16/76/847781676.db2.gz YMYHCQFTJRAEJE-NEPJUHHUSA-N 0 3 354.451 -0.940 20 0 FBADHN CCNC(=O)CCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289651093 847781472 /nfs/dbraw/zinc/78/14/72/847781472.db2.gz ZYCIFVORRYXHHE-WWGRRREGSA-N 0 3 356.467 -0.823 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](O)C1)N(C)C ZINC001289653011 847783097 /nfs/dbraw/zinc/78/30/97/847783097.db2.gz GBKVFGOZHFKCDD-YCPHGPKFSA-N 0 3 351.451 -0.384 20 0 FBADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001289654176 847782507 /nfs/dbraw/zinc/78/25/07/847782507.db2.gz GOLLCJXPYTUOHW-KFWWJZLASA-N 0 3 354.451 -0.975 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1O)C1CCC1 ZINC001289654409 847782621 /nfs/dbraw/zinc/78/26/21/847782621.db2.gz VNHVYLNERBPAQM-PWSUYJOCSA-N 0 3 354.432 -0.366 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1)N(C)C ZINC001289654776 847782829 /nfs/dbraw/zinc/78/28/29/847782829.db2.gz PEEVNVKZYDZLAI-MCIONIFRSA-N 0 3 356.467 -0.679 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1)N(C)C ZINC001289654777 847782521 /nfs/dbraw/zinc/78/25/21/847782521.db2.gz PEEVNVKZYDZLAI-RDBSUJKOSA-N 0 3 356.467 -0.679 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](O)C1 ZINC001289658621 847783744 /nfs/dbraw/zinc/78/37/44/847783744.db2.gz IIDIUSBPCLPFQX-CABCVRRESA-N 0 3 352.410 -0.207 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@@H]1O)N(C)C ZINC001289659051 847785296 /nfs/dbraw/zinc/78/52/96/847785296.db2.gz HQZVDLOJRIAGNG-UTUOFQBUSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1O)N(C)C ZINC001289659506 847785477 /nfs/dbraw/zinc/78/54/77/847785477.db2.gz LMDFXHILFJEAQL-KFWWJZLASA-N 0 3 351.451 -0.403 20 0 FBADHN COCCOCCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1O ZINC001289659708 847785363 /nfs/dbraw/zinc/78/53/63/847785363.db2.gz NXEZRHJQQQXTOG-KFWWJZLASA-N 0 3 357.451 -0.931 20 0 FBADHN COCCOCCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1O ZINC001289659710 847785434 /nfs/dbraw/zinc/78/54/34/847785434.db2.gz NXEZRHJQQQXTOG-ZNMIVQPWSA-N 0 3 357.451 -0.931 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cn(C(C)C)nn2)C[C@@H]1O)N(C)C ZINC001289659718 847785394 /nfs/dbraw/zinc/78/53/94/847785394.db2.gz OAXYPSNUBZIHPM-BNOWGMLFSA-N 0 3 352.439 -0.499 20 0 FBADHN CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289659728 847785084 /nfs/dbraw/zinc/78/50/84/847785084.db2.gz QZCLXWACXLCCER-NEPJUHHUSA-N 0 3 351.407 -0.786 20 0 FBADHN CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289659728 847785078 /nfs/dbraw/zinc/78/50/78/847785078.db2.gz QZCLXWACXLCCER-NEPJUHHUSA-N 0 3 351.407 -0.786 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@@H]1O)N(C)C ZINC001289660382 847785108 /nfs/dbraw/zinc/78/51/08/847785108.db2.gz VPEPDHULIOHTKK-UTUOFQBUSA-N 0 3 352.391 -0.980 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1O)N(C)C ZINC001289661687 847786157 /nfs/dbraw/zinc/78/61/57/847786157.db2.gz CXBAIKHPQSSCJD-UTUOFQBUSA-N 0 3 368.459 -0.511 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1O)N(C)C ZINC001289662447 847786500 /nfs/dbraw/zinc/78/65/00/847786500.db2.gz QBPBCWJYNKMZKD-UPJWGTAASA-N 0 3 351.451 -0.285 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@@H]1O)N(C)C ZINC001289662728 847786706 /nfs/dbraw/zinc/78/67/06/847786706.db2.gz UBYLDNPFPJQFGJ-MCIONIFRSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1O)N(C)C ZINC001289662890 847786523 /nfs/dbraw/zinc/78/65/23/847786523.db2.gz WHUHVLBBWLWUHJ-UTUOFQBUSA-N 0 3 352.391 -0.980 20 0 FBADHN CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001289666242 847787564 /nfs/dbraw/zinc/78/75/64/847787564.db2.gz JORZJTBTSWQLMW-MCIONIFRSA-N 0 3 354.451 -0.797 20 0 FBADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001289666243 847787636 /nfs/dbraw/zinc/78/76/36/847787636.db2.gz JORZJTBTSWQLMW-RDBSUJKOSA-N 0 3 354.451 -0.797 20 0 FBADHN CCc1cc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)nn1C ZINC001289666380 847787129 /nfs/dbraw/zinc/78/71/29/847787129.db2.gz PDYONIYZAOICJM-CABCVRRESA-N 0 3 351.451 -0.376 20 0 FBADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001289667278 847788260 /nfs/dbraw/zinc/78/82/60/847788260.db2.gz IQYJZCKEZNGVKX-MCIONIFRSA-N 0 3 356.467 -0.838 20 0 FBADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001289667281 847788477 /nfs/dbraw/zinc/78/84/77/847788477.db2.gz IQYJZCKEZNGVKX-MJBXVCDLSA-N 0 3 356.467 -0.838 20 0 FBADHN CN(CC(=O)N1C[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1)CC(C)(C)C ZINC001289667422 847788546 /nfs/dbraw/zinc/78/85/46/847788546.db2.gz LWCVFIHUBYDQSP-OCCSQVGLSA-N 0 3 351.451 -0.301 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2snnc2CC)[C@@H](O)C1 ZINC001289669668 847788740 /nfs/dbraw/zinc/78/87/40/847788740.db2.gz BSPHQOMCXKZOIV-NEPJUHHUSA-N 0 3 355.464 -0.256 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](O)C1 ZINC001289673118 847790820 /nfs/dbraw/zinc/79/08/20/847790820.db2.gz CMWHQPBGDYGCPP-KGLIPLIRSA-N 0 3 354.451 -0.971 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](O)C1 ZINC001289674889 847791626 /nfs/dbraw/zinc/79/16/26/847791626.db2.gz NSWMDKKQAWBKQW-KGLIPLIRSA-N 0 3 354.451 -0.973 20 0 FBADHN CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001289674906 847791692 /nfs/dbraw/zinc/79/16/92/847791692.db2.gz RNOMXMOQBFKFRS-KGLIPLIRSA-N 0 3 356.467 -0.823 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001289674979 847791407 /nfs/dbraw/zinc/79/14/07/847791407.db2.gz OPMWEWGPKXJJOV-KGLIPLIRSA-N 0 3 350.419 -0.971 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](O)C1 ZINC001289677888 847792462 /nfs/dbraw/zinc/79/24/62/847792462.db2.gz RBNRUXVNHNKLST-KGLIPLIRSA-N 0 3 350.419 -0.267 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 ZINC001289679849 847793907 /nfs/dbraw/zinc/79/39/07/847793907.db2.gz WCLCOUZDZMMNPN-MNOVXSKESA-N 0 3 368.459 -0.510 20 0 FBADHN COCC1(C(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2O)CCC1 ZINC001289685298 847795888 /nfs/dbraw/zinc/79/58/88/847795888.db2.gz WFVKPOGVYYUCMX-KGLIPLIRSA-N 0 3 353.463 -0.025 20 0 FBADHN CCc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C1 ZINC001289687846 847797074 /nfs/dbraw/zinc/79/70/74/847797074.db2.gz DPTJEUMKOINSIS-KFWWJZLASA-N 0 3 351.451 -0.376 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1O)N(C)C ZINC001289687973 847797679 /nfs/dbraw/zinc/79/76/79/847797679.db2.gz GSMIUQHSYSUHEL-MXWKQRLJSA-N 0 3 352.391 -0.980 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1O)N(C)C ZINC001289687974 847797451 /nfs/dbraw/zinc/79/74/51/847797451.db2.gz GSMIUQHSYSUHEL-VWYCJHECSA-N 0 3 352.391 -0.980 20 0 FBADHN CCOc1cc(C(=O)N2C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C2)[nH]n1 ZINC001289687984 847797191 /nfs/dbraw/zinc/79/71/91/847797191.db2.gz HCMFRHSVSCBGCS-AGIUHOORSA-N 0 3 353.423 -0.550 20 0 FBADHN CCOc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C2)[nH]n1 ZINC001289687985 847797353 /nfs/dbraw/zinc/79/73/53/847797353.db2.gz HCMFRHSVSCBGCS-UPJWGTAASA-N 0 3 353.423 -0.550 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@@H]1O)N(C)C ZINC001289688012 847797148 /nfs/dbraw/zinc/79/71/48/847797148.db2.gz ICUQINAXAKMENZ-AGIUHOORSA-N 0 3 352.439 -0.752 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@@H]1O)N(C)C ZINC001289688013 847797316 /nfs/dbraw/zinc/79/73/16/847797316.db2.gz ICUQINAXAKMENZ-UPJWGTAASA-N 0 3 352.439 -0.752 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2nccn2C)C[C@@H]1O)N(C)C ZINC001289688193 847797727 /nfs/dbraw/zinc/79/77/27/847797727.db2.gz JZHUEXBKEUDKLB-MCIONIFRSA-N 0 3 351.451 -0.619 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2nccn2C)C[C@@H]1O)N(C)C ZINC001289688195 847797554 /nfs/dbraw/zinc/79/75/54/847797554.db2.gz JZHUEXBKEUDKLB-RDBSUJKOSA-N 0 3 351.451 -0.619 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@@H]1O)N(C)C ZINC001289688260 847797596 /nfs/dbraw/zinc/79/75/96/847797596.db2.gz KURZDBHKDPEORM-AGIUHOORSA-N 0 3 353.423 -0.930 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@@H]1O)N(C)C ZINC001289688262 847796935 /nfs/dbraw/zinc/79/69/35/847796935.db2.gz KURZDBHKDPEORM-UPJWGTAASA-N 0 3 353.423 -0.930 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@@H]1O)N(C)C ZINC001289688328 847798356 /nfs/dbraw/zinc/79/83/56/847798356.db2.gz LRQITJUFFNBIJG-MCIONIFRSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cccc(OC)n2)C[C@@H]1O)N(C)C ZINC001289688329 847799016 /nfs/dbraw/zinc/79/90/16/847799016.db2.gz LRQITJUFFNBIJG-RDBSUJKOSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1O)N(C)C ZINC001289688344 847798827 /nfs/dbraw/zinc/79/88/27/847798827.db2.gz MBTNGKVXLOWYNF-AGIUHOORSA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1O)N(C)C ZINC001289688345 847798912 /nfs/dbraw/zinc/79/89/12/847798912.db2.gz MBTNGKVXLOWYNF-UPJWGTAASA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@@H]1O)N(C)C ZINC001289688627 847798341 /nfs/dbraw/zinc/79/83/41/847798341.db2.gz RAPPLKMMDIXGIW-UTUOFQBUSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@@H]1O)N(C)C ZINC001289688628 847798740 /nfs/dbraw/zinc/79/87/40/847798740.db2.gz RAPPLKMMDIXGIW-WOPDTQHZSA-N 0 3 359.377 -0.080 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1)N(C)C ZINC001289688633 847798551 /nfs/dbraw/zinc/79/85/51/847798551.db2.gz RKEBEIHIXNBEML-MCIONIFRSA-N 0 3 356.467 -0.727 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1)N(C)C ZINC001289688634 847798763 /nfs/dbraw/zinc/79/87/63/847798763.db2.gz RKEBEIHIXNBEML-RDBSUJKOSA-N 0 3 356.467 -0.727 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cccnc2OC)C[C@@H]1O)N(C)C ZINC001289688637 847798477 /nfs/dbraw/zinc/79/84/77/847798477.db2.gz RMFPGVFYKFASTE-MCIONIFRSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cccnc2OC)C[C@@H]1O)N(C)C ZINC001289688638 847798393 /nfs/dbraw/zinc/79/83/93/847798393.db2.gz RMFPGVFYKFASTE-RDBSUJKOSA-N 0 3 350.419 -0.268 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1O)N(C)C ZINC001289688772 847798515 /nfs/dbraw/zinc/79/85/15/847798515.db2.gz SPMTXGSUWAWSKB-AGIUHOORSA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1O)N(C)C ZINC001289688773 847798271 /nfs/dbraw/zinc/79/82/71/847798271.db2.gz SPMTXGSUWAWSKB-UPJWGTAASA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1O)N(C)C ZINC001289688791 847798932 /nfs/dbraw/zinc/79/89/32/847798932.db2.gz TWEXRKVRFRHLPJ-ILXRZTDVSA-N 0 3 351.451 -0.619 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1O)N(C)C ZINC001289688792 847798308 /nfs/dbraw/zinc/79/83/08/847798308.db2.gz TWEXRKVRFRHLPJ-KFWWJZLASA-N 0 3 351.451 -0.619 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1O)N(C)C ZINC001289688911 847798599 /nfs/dbraw/zinc/79/85/99/847798599.db2.gz XYYZLDZRUWHDEW-MCIONIFRSA-N 0 3 354.451 -0.973 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1O)N(C)C ZINC001289688912 847798786 /nfs/dbraw/zinc/79/87/86/847798786.db2.gz XYYZLDZRUWHDEW-RDBSUJKOSA-N 0 3 354.451 -0.973 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C2)n(C)n1 ZINC001289688944 847799052 /nfs/dbraw/zinc/79/90/52/847799052.db2.gz YRQCVIJYTBYODN-IPYPFGDCSA-N 0 3 351.451 -0.376 20 0 FBADHN CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C2)n(C)n1 ZINC001289688945 847798849 /nfs/dbraw/zinc/79/88/49/847798849.db2.gz YRQCVIJYTBYODN-NFAWXSAZSA-N 0 3 351.451 -0.376 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](O)C1 ZINC001289689050 847798892 /nfs/dbraw/zinc/79/88/92/847798892.db2.gz ZIQJEIWWEIAWPQ-OCCSQVGLSA-N 0 3 351.451 -0.065 20 0 FBADHN CO[C@H](C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O)C1CCC1 ZINC001289690821 847799860 /nfs/dbraw/zinc/79/98/60/847799860.db2.gz SOUIFRCQVBAPAG-ILXRZTDVSA-N 0 3 353.463 -0.026 20 0 FBADHN CO[C@@H](C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O)C1CCC1 ZINC001289690822 847799931 /nfs/dbraw/zinc/79/99/31/847799931.db2.gz SOUIFRCQVBAPAG-QLFBSQMISA-N 0 3 353.463 -0.026 20 0 FBADHN COc1nccc(C(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)n1 ZINC001289691924 847800225 /nfs/dbraw/zinc/80/02/25/847800225.db2.gz BMBMDHKWHKRQRV-OLZOCXBDSA-N 0 3 351.407 -0.873 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001289692172 847800154 /nfs/dbraw/zinc/80/01/54/847800154.db2.gz LBAPNFFQXWGBFR-MCIONIFRSA-N 0 3 354.451 -0.925 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001289692173 847799916 /nfs/dbraw/zinc/79/99/16/847799916.db2.gz LBAPNFFQXWGBFR-MJBXVCDLSA-N 0 3 354.451 -0.925 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)[C@@H](O)C1 ZINC001289693458 847801166 /nfs/dbraw/zinc/80/11/66/847801166.db2.gz VGAWCPXTQJRDMG-IJEWVQPXSA-N 0 3 356.467 -0.823 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@@H]1O ZINC001289696262 847801134 /nfs/dbraw/zinc/80/11/34/847801134.db2.gz HDXWJNYYRPYDJZ-CABCVRRESA-N 0 3 351.451 -0.699 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289696309 847802451 /nfs/dbraw/zinc/80/24/51/847802451.db2.gz JGNBYUPIFYVATI-MDZLAQPJSA-N 0 3 353.423 -0.689 20 0 FBADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289696310 847801996 /nfs/dbraw/zinc/80/19/96/847801996.db2.gz JGNBYUPIFYVATI-NTZNESFSSA-N 0 3 353.423 -0.689 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@@H]1O ZINC001289696423 847801936 /nfs/dbraw/zinc/80/19/36/847801936.db2.gz KOOLSGBDBRMTJB-KGLIPLIRSA-N 0 3 350.419 -0.267 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CN(C)C(=O)C(C)C)C[C@@H]1O ZINC001289696483 847802175 /nfs/dbraw/zinc/80/21/75/847802175.db2.gz MBBZUPWVUAKSTB-KGLIPLIRSA-N 0 3 356.467 -0.870 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1O)N(C)C ZINC001289696490 847802145 /nfs/dbraw/zinc/80/21/45/847802145.db2.gz METQSOPKVUFJHR-AGIUHOORSA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1O)N(C)C ZINC001289696491 847801788 /nfs/dbraw/zinc/80/17/88/847801788.db2.gz METQSOPKVUFJHR-FRRDWIJNSA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1O)N(C)C ZINC001289696752 847802470 /nfs/dbraw/zinc/80/24/70/847802470.db2.gz SAUQJJYEKDTPCU-IPYPFGDCSA-N 0 3 350.419 -0.325 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1O)N(C)C ZINC001289696753 847802037 /nfs/dbraw/zinc/80/20/37/847802037.db2.gz SAUQJJYEKDTPCU-VNHYZAJKSA-N 0 3 350.419 -0.325 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](O)C1 ZINC001289696780 847801889 /nfs/dbraw/zinc/80/18/89/847801889.db2.gz SYXWZOMFVDWRKL-OLZOCXBDSA-N 0 3 350.419 -0.267 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@@H]1O ZINC001289696806 847802530 /nfs/dbraw/zinc/80/25/30/847802530.db2.gz UUYPAZUZOJLTCZ-OLZOCXBDSA-N 0 3 353.423 -0.928 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1O)N(C)C ZINC001289696813 847801660 /nfs/dbraw/zinc/80/16/60/847801660.db2.gz UZSFZYDUZYMKLF-IPYPFGDCSA-N 0 3 371.869 -0.189 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1O)N(C)C ZINC001289696814 847801855 /nfs/dbraw/zinc/80/18/55/847801855.db2.gz UZSFZYDUZYMKLF-VNHYZAJKSA-N 0 3 371.869 -0.189 20 0 FBADHN CCn1nncc1C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289696969 847801721 /nfs/dbraw/zinc/80/17/21/847801721.db2.gz XBMPLZKRSWCMOS-XBFCOCLRSA-N 0 3 352.439 -0.814 20 0 FBADHN Cc1nccn1CC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289697019 847802242 /nfs/dbraw/zinc/80/22/42/847802242.db2.gz YTQDLENHYGSMLX-IJEWVQPXSA-N 0 3 351.451 -0.534 20 0 FBADHN Cc1nccn1CC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289697020 847801752 /nfs/dbraw/zinc/80/17/52/847801752.db2.gz YTQDLENHYGSMLX-YCPHGPKFSA-N 0 3 351.451 -0.534 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(CCC)c2)C[C@@H]1O ZINC001289697036 847802565 /nfs/dbraw/zinc/80/25/65/847802565.db2.gz ZNJWWCIDYRESPS-CABCVRRESA-N 0 3 351.451 -0.064 20 0 FBADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC001289699082 847803648 /nfs/dbraw/zinc/80/36/48/847803648.db2.gz DLNIFBYQZONTKM-UPJWGTAASA-N 0 3 354.451 -0.940 20 0 FBADHN C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC001289699083 847803217 /nfs/dbraw/zinc/80/32/17/847803217.db2.gz DLNIFBYQZONTKM-XQQFMLRXSA-N 0 3 354.451 -0.940 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001289703089 847805514 /nfs/dbraw/zinc/80/55/14/847805514.db2.gz RPIWCGZPUUCEGI-CABCVRRESA-N 0 3 351.451 -0.619 20 0 FBADHN Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001289703107 847805755 /nfs/dbraw/zinc/80/57/55/847805755.db2.gz SEIYNUBRLRETKM-NEPJUHHUSA-N 0 3 355.414 -0.491 20 0 FBADHN CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001289712179 847807869 /nfs/dbraw/zinc/80/78/69/847807869.db2.gz JHGMXWMJSBJGFM-NEPJUHHUSA-N 0 3 351.407 -0.866 20 0 FBADHN CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001289712179 847807860 /nfs/dbraw/zinc/80/78/60/847807860.db2.gz JHGMXWMJSBJGFM-NEPJUHHUSA-N 0 3 351.407 -0.866 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001289720271 847810739 /nfs/dbraw/zinc/81/07/39/847810739.db2.gz LNJMATIHCQZFHC-NEPJUHHUSA-N 0 3 351.407 -0.866 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1O)N(C)C ZINC001289729348 847813535 /nfs/dbraw/zinc/81/35/35/847813535.db2.gz DRWLXKBMOQGQSS-IJEWVQPXSA-N 0 3 351.451 -0.453 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1O)N(C)C ZINC001289731482 847813193 /nfs/dbraw/zinc/81/31/93/847813193.db2.gz KDUPEGFHXPRQCD-IJEWVQPXSA-N 0 3 351.451 -0.384 20 0 FBADHN Cc1nc(C)c(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)[nH]1 ZINC001289732271 847814455 /nfs/dbraw/zinc/81/44/55/847814455.db2.gz XWAKUIQGMAWDIW-VNHYZAJKSA-N 0 3 351.451 -0.086 20 0 FBADHN CNC(=O)CCCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001289732296 847815220 /nfs/dbraw/zinc/81/52/20/847815220.db2.gz YJQHWSKZDGVOHH-DVOMOZLQSA-N 0 3 356.467 -0.823 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](O)C1 ZINC001289734070 847815019 /nfs/dbraw/zinc/81/50/19/847815019.db2.gz JBGSCDVPYAAGIN-NEPJUHHUSA-N 0 3 359.377 -0.009 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)C[C@@H](C)n2cccn2)[C@@H](O)C1 ZINC001289737261 847817352 /nfs/dbraw/zinc/81/73/52/847817352.db2.gz 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ZINC001290155568 847847939 /nfs/dbraw/zinc/84/79/39/847847939.db2.gz BZSOROKFSIIWGK-QWHCGFSZSA-N 0 3 353.467 -0.070 20 0 FBADHN CC[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cnnn2)C1)N(C)C ZINC001290177263 847850503 /nfs/dbraw/zinc/85/05/03/847850503.db2.gz CQEIBUIZFBXYCQ-BFHYXJOUSA-N 0 3 351.455 -0.196 20 0 FBADHN CC[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cnnn2)C1)N(C)C ZINC001290177267 847850529 /nfs/dbraw/zinc/85/05/29/847850529.db2.gz CQEIBUIZFBXYCQ-MJBXVCDLSA-N 0 3 351.455 -0.196 20 0 FBADHN CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C1)N(C)C ZINC001290185033 847851195 /nfs/dbraw/zinc/85/11/95/847851195.db2.gz HGSSSKWRNPZTHD-XQQFMLRXSA-N 0 3 351.455 -0.189 20 0 FBADHN CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C1)N(C)C ZINC001290185034 847851075 /nfs/dbraw/zinc/85/10/75/847851075.db2.gz HGSSSKWRNPZTHD-YNEHKIRRSA-N 0 3 351.455 -0.189 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2nnn(C)n2)C1)N(C)C ZINC001290193997 847851262 /nfs/dbraw/zinc/85/12/62/847851262.db2.gz AIWPTYDFQTUWKX-XQQFMLRXSA-N 0 3 351.455 -0.189 20 0 FBADHN CNC(=O)NCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001290214162 847852598 /nfs/dbraw/zinc/85/25/98/847852598.db2.gz ACTHWXOCYCWWRE-GZBFAFLISA-N 0 3 355.483 -0.097 20 0 FBADHN CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C1)N(C)C ZINC001290214210 847852160 /nfs/dbraw/zinc/85/21/60/847852160.db2.gz BLFKYTCRDFDXKD-GZBFAFLISA-N 0 3 351.455 -0.340 20 0 FBADHN CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C1)N(C)C ZINC001290214246 847852126 /nfs/dbraw/zinc/85/21/26/847852126.db2.gz CGVAKMMXVGEVAT-GZBFAFLISA-N 0 3 351.455 -0.340 20 0 FBADHN CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1CNC(=O)CC(=O)NC ZINC001290262016 847858138 /nfs/dbraw/zinc/85/81/38/847858138.db2.gz IVXVVEVEWREEQN-MGPQQGTHSA-N 0 3 356.467 -0.558 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001290265769 847859426 /nfs/dbraw/zinc/85/94/26/847859426.db2.gz UXPXDAHLSGJRLQ-FRRDWIJNSA-N 0 3 352.439 -0.262 20 0 FBADHN CCO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001290265770 847859183 /nfs/dbraw/zinc/85/91/83/847859183.db2.gz UXPXDAHLSGJRLQ-JHJVBQTASA-N 0 3 352.439 -0.262 20 0 FBADHN CC[C@@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cn1cnnn1)N(C)C ZINC001290279545 847860321 /nfs/dbraw/zinc/86/03/21/847860321.db2.gz XJYLSSUASQYLEL-RDBSUJKOSA-N 0 3 351.455 -0.243 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001290308845 847862219 /nfs/dbraw/zinc/86/22/19/847862219.db2.gz QSOHBFVCDCVEPF-HZSPNIEDSA-N 0 3 353.467 -0.247 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001290308846 847862095 /nfs/dbraw/zinc/86/20/95/847862095.db2.gz QSOHBFVCDCVEPF-RDBSUJKOSA-N 0 3 353.467 -0.247 20 0 FBADHN CC[C@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cn1ncnn1)N(C)C ZINC001290309265 847862256 /nfs/dbraw/zinc/86/22/56/847862256.db2.gz ZIHYRIYDTZQGQL-HZSPNIEDSA-N 0 3 351.455 -0.243 20 0 FBADHN CNC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001290313674 847861762 /nfs/dbraw/zinc/86/17/62/847861762.db2.gz NHTVCWCAYBATTC-KGLIPLIRSA-N 0 3 355.483 -0.001 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001290314312 847861668 /nfs/dbraw/zinc/86/16/68/847861668.db2.gz WMORVJPEBYWLBU-KGLIPLIRSA-N 0 3 351.455 -0.243 20 0 FBADHN CC[C@@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CNC(=O)NC)N(C)C ZINC001290314323 847862346 /nfs/dbraw/zinc/86/23/46/847862346.db2.gz WTDSYWSCGFELCG-RDBSUJKOSA-N 0 3 355.483 -0.001 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001290338961 847862914 /nfs/dbraw/zinc/86/29/14/847862914.db2.gz NIABCXIEZDTARS-HZSPNIEDSA-N 0 3 353.467 -0.249 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001290338965 847863228 /nfs/dbraw/zinc/86/32/28/847863228.db2.gz NIABCXIEZDTARS-RDBSUJKOSA-N 0 3 353.467 -0.249 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)CNC(N)=O)C1 ZINC001290344569 847864166 /nfs/dbraw/zinc/86/41/66/847864166.db2.gz FQVFAYKPIDYOJJ-MCIONIFRSA-N 0 3 353.467 -0.260 20 0 FBADHN C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)CNC(N)=O)C1 ZINC001290344570 847864129 /nfs/dbraw/zinc/86/41/29/847864129.db2.gz FQVFAYKPIDYOJJ-RDBSUJKOSA-N 0 3 353.467 -0.260 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CCN1C(=O)Cn1ncnn1 ZINC001290436929 847869022 /nfs/dbraw/zinc/86/90/22/847869022.db2.gz LKZQHKYWLYAUFT-GUTXKFCHSA-N 0 3 351.455 -0.245 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CCN1C(=O)CN(CC)CC ZINC001290455844 847871332 /nfs/dbraw/zinc/87/13/32/847871332.db2.gz LQORCYYLSSWNQI-BFHYXJOUSA-N 0 3 353.467 -0.153 20 0 FBADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1C(=O)CN(CC)CC ZINC001290455846 847871189 /nfs/dbraw/zinc/87/11/89/847871189.db2.gz LQORCYYLSSWNQI-MELADBBJSA-N 0 3 353.467 -0.153 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001290500765 847874520 /nfs/dbraw/zinc/87/45/20/847874520.db2.gz BSVBRMJSMUROFV-QLFBSQMISA-N 0 3 350.463 -0.088 20 0 FBADHN CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001290516026 847875265 /nfs/dbraw/zinc/87/52/65/847875265.db2.gz AGOAUJWUORGAJG-BARDWOONSA-N 0 3 350.463 -0.244 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC001290516560 847876469 /nfs/dbraw/zinc/87/64/69/847876469.db2.gz OIRCSPSOBHKXOG-KGLIPLIRSA-N 0 3 371.503 -0.320 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)CS(C)(=O)=O)CC[C@@H]2C1 ZINC001290519053 847876341 /nfs/dbraw/zinc/87/63/41/847876341.db2.gz URKMMVARQNUBHH-KGLIPLIRSA-N 0 3 359.492 -0.322 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001290520478 847876544 /nfs/dbraw/zinc/87/65/44/847876544.db2.gz ZPNLVROWMACVSI-BARDWOONSA-N 0 3 350.463 -0.245 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001290527846 847877116 /nfs/dbraw/zinc/87/71/16/847877116.db2.gz KGLZIOKWJTUXDI-ILXRZTDVSA-N 0 3 350.463 -0.229 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001290527847 847877686 /nfs/dbraw/zinc/87/76/86/847877686.db2.gz KGLZIOKWJTUXDI-QLFBSQMISA-N 0 3 350.463 -0.229 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC001290528167 847877498 /nfs/dbraw/zinc/87/74/98/847877498.db2.gz POYJZYJZBOLDTA-HZSPNIEDSA-N 0 3 351.451 -0.684 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC001290528172 847877273 /nfs/dbraw/zinc/87/72/73/847877273.db2.gz POYJZYJZBOLDTA-RDBSUJKOSA-N 0 3 351.451 -0.684 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001290534580 847877519 /nfs/dbraw/zinc/87/75/19/847877519.db2.gz VJUBKKUZGGFFLT-HZSPNIEDSA-N 0 3 351.451 -0.684 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001290534581 847877629 /nfs/dbraw/zinc/87/76/29/847877629.db2.gz VJUBKKUZGGFFLT-RDBSUJKOSA-N 0 3 351.451 -0.684 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001290619915 847885775 /nfs/dbraw/zinc/88/57/75/847885775.db2.gz GYKOTRLGAZWQGF-OLZOCXBDSA-N 0 3 353.467 -0.118 20 0 FBADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]1C)N(C)C ZINC001290624889 847885861 /nfs/dbraw/zinc/88/58/61/847885861.db2.gz DCJXNAZJCBVJNA-AGIUHOORSA-N 0 3 362.496 -0.629 20 0 FBADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]1C)N(C)C ZINC001290624891 847885755 /nfs/dbraw/zinc/88/57/55/847885755.db2.gz DCJXNAZJCBVJNA-FRRDWIJNSA-N 0 3 362.496 -0.629 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001290629877 847887540 /nfs/dbraw/zinc/88/75/40/847887540.db2.gz YZMJRQRWGVVCOF-AGIUHOORSA-N 0 3 360.480 -0.875 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001290629886 847887500 /nfs/dbraw/zinc/88/75/00/847887500.db2.gz YZMJRQRWGVVCOF-FRRDWIJNSA-N 0 3 360.480 -0.875 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H]1C ZINC001290630825 847887848 /nfs/dbraw/zinc/88/78/48/847887848.db2.gz GVEMWCTUJLCTOB-AGIUHOORSA-N 0 3 360.480 -0.875 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H]1C ZINC001290630826 847887605 /nfs/dbraw/zinc/88/76/05/847887605.db2.gz GVEMWCTUJLCTOB-FRRDWIJNSA-N 0 3 360.480 -0.875 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)[C@@H]1C ZINC001290630885 847887458 /nfs/dbraw/zinc/88/74/58/847887458.db2.gz IXJBPMKBHSKYTR-AGIUHOORSA-N 0 3 352.435 -0.513 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)[C@@H]1C ZINC001290630886 847887716 /nfs/dbraw/zinc/88/77/16/847887716.db2.gz IXJBPMKBHSKYTR-UPJWGTAASA-N 0 3 352.435 -0.513 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1C ZINC001290631378 847887450 /nfs/dbraw/zinc/88/74/50/847887450.db2.gz UJBJMGDYFALECH-WOPDTQHZSA-N 0 3 353.423 -0.968 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001290643760 847888993 /nfs/dbraw/zinc/88/89/93/847888993.db2.gz LLLRXJMZETWUFQ-LOWVWBTDSA-N 0 3 371.463 -0.614 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001290643761 847888650 /nfs/dbraw/zinc/88/86/50/847888650.db2.gz LLLRXJMZETWUFQ-WZRBSPASSA-N 0 3 371.463 -0.614 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CCCN1C ZINC001290643823 847890346 /nfs/dbraw/zinc/89/03/46/847890346.db2.gz NXODGQDLYIBOEJ-FRRDWIJNSA-N 0 3 360.480 -0.875 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001290643901 847889990 /nfs/dbraw/zinc/88/99/90/847889990.db2.gz QSKMVNWSXWLBPQ-OLZOCXBDSA-N 0 3 362.496 -0.629 20 0 FBADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]1C)N(C)C ZINC001290644152 847890329 /nfs/dbraw/zinc/89/03/29/847890329.db2.gz YYMLFNKIJXZEDP-AGIUHOORSA-N 0 3 362.496 -0.676 20 0 FBADHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001290646324 847890831 /nfs/dbraw/zinc/89/08/31/847890831.db2.gz ZYLDDCVZUQXOAS-HZSPNIEDSA-N 0 3 353.467 -0.105 20 0 FBADHN CCCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001290646325 847891132 /nfs/dbraw/zinc/89/11/32/847891132.db2.gz ZYLDDCVZUQXOAS-RDBSUJKOSA-N 0 3 353.467 -0.105 20 0 FBADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CN2CCCNC2=O)[C@@H]1C ZINC001290646606 847890849 /nfs/dbraw/zinc/89/08/49/847890849.db2.gz CKXSRPZBRQJKFG-KGLIPLIRSA-N 0 3 353.467 -0.153 20 0 FBADHN CNS(=O)(=O)CCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001290646918 847891467 /nfs/dbraw/zinc/89/14/67/847891467.db2.gz FTRQSFQFEGHJIP-OLZOCXBDSA-N 0 3 362.496 -0.629 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CN1CCOCC1 ZINC001290647623 847890789 /nfs/dbraw/zinc/89/07/89/847890789.db2.gz LHMONKDXWOFHJL-CABCVRRESA-N 0 3 352.479 -0.092 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)CN1CCOCC1 ZINC001290652197 847892474 /nfs/dbraw/zinc/89/24/74/847892474.db2.gz UNWOPWGCWXSSPW-ZBFHGGJFSA-N 0 3 352.479 -0.092 20 0 FBADHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1C)N(C)C ZINC001290657643 847892347 /nfs/dbraw/zinc/89/23/47/847892347.db2.gz KVUIBBCUYAJGMS-FRRDWIJNSA-N 0 3 362.496 -0.629 20 0 FBADHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)CCCS(N)(=O)=O)[C@@H]1C)N(C)C ZINC001290658234 847892489 /nfs/dbraw/zinc/89/24/89/847892489.db2.gz WCLKRMXDZIUXSU-FRRDWIJNSA-N 0 3 362.496 -0.499 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC001290669853 847894490 /nfs/dbraw/zinc/89/44/90/847894490.db2.gz QJEVAERURVYZCS-KGLIPLIRSA-N 0 3 353.467 -0.153 20 0 FBADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC001290670075 847894044 /nfs/dbraw/zinc/89/40/44/847894044.db2.gz VLRPBGGZCHQVIX-KGLIPLIRSA-N 0 3 353.467 -0.151 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CCN2CCOCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001290677250 847895341 /nfs/dbraw/zinc/89/53/41/847895341.db2.gz NXJWMRBVBJEXQD-OWCLPIDISA-N 0 3 352.479 -0.092 20 0 FBADHN CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H]1C)N(C)C ZINC001290690219 847896592 /nfs/dbraw/zinc/89/65/92/847896592.db2.gz DNDMVQCPLBPOJD-KWCYVHTRSA-N 0 3 359.492 -0.277 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H]1C)N(C)C ZINC001290690220 847897671 /nfs/dbraw/zinc/89/76/71/847897671.db2.gz DNDMVQCPLBPOJD-XBFCOCLRSA-N 0 3 359.492 -0.277 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H]1C ZINC001290690365 847897807 /nfs/dbraw/zinc/89/78/07/847897807.db2.gz GMBHZQXROAFYHV-WOPDTQHZSA-N 0 3 353.423 -0.968 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC001290690648 847897335 /nfs/dbraw/zinc/89/73/35/847897335.db2.gz KZMVZRXRSKZERC-OLZOCXBDSA-N 0 3 352.439 -0.971 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1C ZINC001290690779 847897731 /nfs/dbraw/zinc/89/77/31/847897731.db2.gz QDEMWGVFPBNIDA-UPJWGTAASA-N 0 3 362.496 -0.629 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1C ZINC001290690780 847897758 /nfs/dbraw/zinc/89/77/58/847897758.db2.gz QDEMWGVFPBNIDA-XQQFMLRXSA-N 0 3 362.496 -0.629 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1C ZINC001290690954 847897362 /nfs/dbraw/zinc/89/73/62/847897362.db2.gz WQMZVNIFPYAZDE-NEPJUHHUSA-N 0 3 356.448 -0.199 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CCCS(N)(=O)=O)[C@@H]1C ZINC001290691048 847897491 /nfs/dbraw/zinc/89/74/91/847897491.db2.gz ZSHIZHRFWNFKQF-NEPJUHHUSA-N 0 3 371.463 -0.565 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001290695022 847897688 /nfs/dbraw/zinc/89/76/88/847897688.db2.gz AHNJVHONRBVEKJ-OLZOCXBDSA-N 0 3 360.480 -0.921 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]1C ZINC001290696066 847898701 /nfs/dbraw/zinc/89/87/01/847898701.db2.gz XIBVRJOBDLFYKJ-OLZOCXBDSA-N 0 3 362.496 -0.675 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CCN1C(=O)CN1CCCC1 ZINC001290710179 847899687 /nfs/dbraw/zinc/89/96/87/847899687.db2.gz BQWXPSYGWDIYMZ-OLZOCXBDSA-N 0 3 360.480 -0.744 20 0 FBADHN CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CCCS(N)(=O)=O)[C@@H]1C)N(C)C ZINC001290729003 847901732 /nfs/dbraw/zinc/90/17/32/847901732.db2.gz WCLKRMXDZIUXSU-AGIUHOORSA-N 0 3 362.496 -0.499 20 0 FBADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001290736498 847902778 /nfs/dbraw/zinc/90/27/78/847902778.db2.gz QQGNNSJXWVTEJB-UPJWGTAASA-N 0 3 360.480 -0.875 20 0 FBADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001290736499 847902926 /nfs/dbraw/zinc/90/29/26/847902926.db2.gz QQGNNSJXWVTEJB-XQQFMLRXSA-N 0 3 360.480 -0.875 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C ZINC001290736511 847902442 /nfs/dbraw/zinc/90/24/42/847902442.db2.gz QZRFGMNRQLRGFX-UPJWGTAASA-N 0 3 362.496 -0.630 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C ZINC001290736512 847902815 /nfs/dbraw/zinc/90/28/15/847902815.db2.gz QZRFGMNRQLRGFX-XQQFMLRXSA-N 0 3 362.496 -0.630 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CNC(=O)OC)C[C@]2(C)C1)N(C)C ZINC001290804037 847904996 /nfs/dbraw/zinc/90/49/96/847904996.db2.gz IYAZKFNGGJRSNI-GDZNZVCISA-N 0 3 354.451 -0.011 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H]2CN(C(=O)CNC(=O)OC)C[C@]2(C)C1 ZINC001290805282 847905124 /nfs/dbraw/zinc/90/51/24/847905124.db2.gz ZGCVWLYFGXBFON-SUMWQHHRSA-N 0 3 354.451 -0.009 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001290817642 847906007 /nfs/dbraw/zinc/90/60/07/847906007.db2.gz KLYDRFDBYFFTSG-IGCXYCKISA-N 0 3 352.435 -0.258 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001290817646 847906314 /nfs/dbraw/zinc/90/63/14/847906314.db2.gz KLYDRFDBYFFTSG-XNJGSVPQSA-N 0 3 352.435 -0.258 20 0 FBADHN CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@]2(C)C1 ZINC001290825506 847907384 /nfs/dbraw/zinc/90/73/84/847907384.db2.gz MLPTUBXZUYIUTR-MOROJQBDSA-N 0 3 350.463 -0.244 20 0 FBADHN CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@]2(C)C1 ZINC001290825669 847907220 /nfs/dbraw/zinc/90/72/20/847907220.db2.gz PAHWQDIWOKMKRC-SUNYJGFJSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@@]2(C)C1 ZINC001290829479 847908571 /nfs/dbraw/zinc/90/85/71/847908571.db2.gz IUJYRYWNGDKHAE-XJKSGUPXSA-N 0 3 359.492 -0.322 20 0 FBADHN CN(C)C1(C(=O)N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C)C2)CCC1 ZINC001290830891 847908864 /nfs/dbraw/zinc/90/88/64/847908864.db2.gz ZWPVHXUHKVBYGX-WBMJQRKESA-N 0 3 351.451 -0.554 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@]2(C)C1 ZINC001290839451 847909911 /nfs/dbraw/zinc/90/99/11/847909911.db2.gz UPNMUMIBVBICPV-PMUMKWKESA-N 0 3 350.463 -0.086 20 0 FBADHN CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@]2(C)C1 ZINC001290842999 847909505 /nfs/dbraw/zinc/90/95/05/847909505.db2.gz UPNMUMIBVBICPV-SUNYJGFJSA-N 0 3 350.463 -0.086 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001290848630 847909453 /nfs/dbraw/zinc/90/94/53/847909453.db2.gz CEKPBOOHBYXBLP-IGCXYCKISA-N 0 3 351.451 -0.685 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001290848631 847909616 /nfs/dbraw/zinc/90/96/16/847909616.db2.gz CEKPBOOHBYXBLP-XNJGSVPQSA-N 0 3 351.451 -0.685 20 0 FBADHN C[C@H]1CCN(CC(=O)N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C)C2)C1 ZINC001290854906 847911040 /nfs/dbraw/zinc/91/10/40/847911040.db2.gz UGXQCIITHMYSDV-AHIWAGSCSA-N 0 3 351.451 -0.697 20 0 FBADHN C[C@@H]1CCN(CC(=O)N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C)C2)C1 ZINC001290854907 847911204 /nfs/dbraw/zinc/91/12/04/847911204.db2.gz UGXQCIITHMYSDV-XNJGSVPQSA-N 0 3 351.451 -0.697 20 0 FBADHN CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1)N(C)C ZINC001290866600 847912008 /nfs/dbraw/zinc/91/20/08/847912008.db2.gz VRCREBSXOSMIDE-NFAWXSAZSA-N 0 3 351.455 -0.530 20 0 FBADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001290878376 847914017 /nfs/dbraw/zinc/91/40/17/847914017.db2.gz ATMKHRAQICRQRK-CHWSQXEVSA-N 0 3 359.492 -0.274 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001290896266 847916205 /nfs/dbraw/zinc/91/62/05/847916205.db2.gz BCQAUWMJYOBVAP-HZPDHXFCSA-N 0 3 354.495 -0.131 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)[C@H](C)C1 ZINC001290897284 847915885 /nfs/dbraw/zinc/91/58/85/847915885.db2.gz RHBUSGWLHZVMFM-CHWSQXEVSA-N 0 3 353.467 -0.260 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C1)N(C)C ZINC001290905658 847918076 /nfs/dbraw/zinc/91/80/76/847918076.db2.gz ZUHWYJVANSTVEA-MCIONIFRSA-N 0 3 355.483 -0.144 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C1)N(C)C ZINC001290905659 847917973 /nfs/dbraw/zinc/91/79/73/847917973.db2.gz ZUHWYJVANSTVEA-MGPQQGTHSA-N 0 3 355.483 -0.144 20 0 FBADHN CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C ZINC001290917811 847918875 /nfs/dbraw/zinc/91/88/75/847918875.db2.gz BKRWWKSDRUVJEK-CHWSQXEVSA-N 0 3 353.467 -0.260 20 0 FBADHN CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)N(C)C ZINC001290927698 847920041 /nfs/dbraw/zinc/92/00/41/847920041.db2.gz PVHFDZQWVLQUQP-NFAWXSAZSA-N 0 3 361.508 -0.172 20 0 FBADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001290927964 847920355 /nfs/dbraw/zinc/92/03/55/847920355.db2.gz XSSMAMLKKDUQOF-JHJVBQTASA-N 0 3 352.435 -0.210 20 0 FBADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001290927967 847920234 /nfs/dbraw/zinc/92/02/34/847920234.db2.gz XSSMAMLKKDUQOF-UPJWGTAASA-N 0 3 352.435 -0.210 20 0 FBADHN CC[C@H](C(=O)NC[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C)N(C)C ZINC001290938122 847921366 /nfs/dbraw/zinc/92/13/66/847921366.db2.gz FGJJAHGGYUZBKA-IJLUTSLNSA-N 0 3 362.421 -0.081 20 0 FBADHN CNC(=O)NCCC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001290939258 847922324 /nfs/dbraw/zinc/92/23/24/847922324.db2.gz AOJLCVDSLGLGKO-ZIAGYGMSSA-N 0 3 355.483 -0.144 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C ZINC001290939314 847922096 /nfs/dbraw/zinc/92/20/96/847922096.db2.gz CAWGRIAPVYEDDX-CHWSQXEVSA-N 0 3 353.467 -0.262 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C ZINC001290940894 847923015 /nfs/dbraw/zinc/92/30/15/847923015.db2.gz IVIZAODHTRLUNO-ZIAGYGMSSA-N 0 3 361.508 -0.028 20 0 FBADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C ZINC001290942363 847923385 /nfs/dbraw/zinc/92/33/85/847923385.db2.gz WJVWNPFZXOROJG-VXGBXAGGSA-N 0 3 362.421 -0.081 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](CNC(=O)C(=O)NCC(F)F)[C@H](C)C1 ZINC001290944347 847922875 /nfs/dbraw/zinc/92/28/75/847922875.db2.gz WTQKIYLEPGROJZ-VXGBXAGGSA-N 0 3 362.421 -0.081 20 0 FBADHN CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C)N(C)C ZINC001290957299 847925570 /nfs/dbraw/zinc/92/55/70/847925570.db2.gz PVYRMUPZIGMKGO-MCIONIFRSA-N 0 3 355.483 -0.144 20 0 FBADHN CC[C@H](C(=O)NC[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C)N(C)C ZINC001290957300 847925610 /nfs/dbraw/zinc/92/56/10/847925610.db2.gz PVYRMUPZIGMKGO-MGPQQGTHSA-N 0 3 355.483 -0.144 20 0 FBADHN CC[C@H](C(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C)N(C)C ZINC001290957524 847925115 /nfs/dbraw/zinc/92/51/15/847925115.db2.gz VNKJDUCBLIMIKY-JHJVBQTASA-N 0 3 353.467 -0.262 20 0 FBADHN CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C)N(C)C ZINC001290957525 847925005 /nfs/dbraw/zinc/92/50/05/847925005.db2.gz VNKJDUCBLIMIKY-UPJWGTAASA-N 0 3 353.467 -0.262 20 0 FBADHN CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C ZINC001290959601 847925250 /nfs/dbraw/zinc/92/52/50/847925250.db2.gz VFZUTAFKMATIGZ-ZIAGYGMSSA-N 0 3 355.483 -0.142 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1)N(C)C ZINC001291565196 847930581 /nfs/dbraw/zinc/93/05/81/847930581.db2.gz YNALQGIWWZAVNQ-MCIONIFRSA-N 0 3 351.455 -0.386 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1)N(C)C ZINC001291575175 847931009 /nfs/dbraw/zinc/93/10/09/847931009.db2.gz AQFAWSJIQJFTFL-MCIONIFRSA-N 0 3 361.508 -0.028 20 0 FBADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001291584140 847931517 /nfs/dbraw/zinc/93/15/17/847931517.db2.gz VMKZCYRKENQJND-MCIONIFRSA-N 0 3 359.492 -0.274 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1)N(C)C ZINC001291601738 847932203 /nfs/dbraw/zinc/93/22/03/847932203.db2.gz KRCVDXGPHHNINX-RQJABVFESA-N 0 3 355.483 -0.016 20 0 FBADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)NC)C1)N(C)C ZINC001291626012 847933822 /nfs/dbraw/zinc/93/38/22/847933822.db2.gz SYIYZHYWYAVKSR-MGPQQGTHSA-N 0 3 355.483 -0.144 20 0 FBADHN CC(C)N(C)CC(=O)NCC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001291626560 847933873 /nfs/dbraw/zinc/93/38/73/847933873.db2.gz YNCGQMOKXCDRCS-CHWSQXEVSA-N 0 3 351.455 -0.235 20 0 FBADHN CC[C@H](C(=O)NCC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)N(C)C ZINC001291635086 847933121 /nfs/dbraw/zinc/93/31/21/847933121.db2.gz QDTLOKMEBHVNHC-MGPQQGTHSA-N 0 3 351.455 -0.386 20 0 FBADHN CC[C@H](C(=O)NCC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)N(C)C ZINC001291635333 847933256 /nfs/dbraw/zinc/93/32/56/847933256.db2.gz WRYOANOYTQWGIO-MGPQQGTHSA-N 0 3 351.455 -0.386 20 0 FBADHN CC[C@H](C(=O)NCC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)N(C)C ZINC001291635342 847933694 /nfs/dbraw/zinc/93/36/94/847933694.db2.gz WYCWKDNYXSXKBK-MGPQQGTHSA-N 0 3 361.508 -0.028 20 0 FBADHN CCCN(C)CC(=O)NCC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001291652093 847934901 /nfs/dbraw/zinc/93/49/01/847934901.db2.gz SGVSKYOYHMFUIX-MCIONIFRSA-N 0 3 353.467 -0.390 20 0 FBADHN CCCN(C)CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001291652094 847934717 /nfs/dbraw/zinc/93/47/17/847934717.db2.gz SGVSKYOYHMFUIX-MGPQQGTHSA-N 0 3 353.467 -0.390 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001291673394 847935694 /nfs/dbraw/zinc/93/56/94/847935694.db2.gz HHJMDVSQWFBOJC-MCIONIFRSA-N 0 3 353.467 -0.391 20 0 FBADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001291673395 847935704 /nfs/dbraw/zinc/93/57/04/847935704.db2.gz HHJMDVSQWFBOJC-MGPQQGTHSA-N 0 3 353.467 -0.391 20 0 FBADHN CCCN(C)CCC(=O)N1CCN(C(=O)CC)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001291761514 847938943 /nfs/dbraw/zinc/93/89/43/847938943.db2.gz JDDFCUWHPXOZIW-KGLIPLIRSA-N 0 3 359.492 -0.035 20 0 FBADHN CN(C)CC1(C(=O)N2CCN(C(=O)C3CC3)[C@H]3CS(=O)(=O)C[C@H]32)CC1 ZINC001291762227 847940377 /nfs/dbraw/zinc/94/03/77/847940377.db2.gz POYRGFGMIGAKNC-UONOGXRCSA-N 0 3 369.487 -0.425 20 0 FBADHN CCN(C)CCC(=O)N1CCN(C(=O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001291762867 847940898 /nfs/dbraw/zinc/94/08/98/847940898.db2.gz WMGFUMMJXPUBND-UONOGXRCSA-N 0 3 359.492 -0.179 20 0 FBADHN CC(C)N(C)CC(=O)N1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001291763644 847942395 /nfs/dbraw/zinc/94/23/95/847942395.db2.gz ZBPDJRPPBCPOBI-IGCXYCKISA-N 0 3 354.451 -0.818 20 0 FBADHN CC(C)N(C)CC(=O)N1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001291763645 847941705 /nfs/dbraw/zinc/94/17/05/847941705.db2.gz ZBPDJRPPBCPOBI-IIYDPXPESA-N 0 3 354.451 -0.818 20 0 FBADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(N)=O)CC1)C2)N(C)C ZINC001291836089 847945858 /nfs/dbraw/zinc/94/58/58/847945858.db2.gz FYFYCXRBCFONKA-VOAKCMCISA-N 0 3 351.451 -0.224 20 0 FBADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(N)=O)CC1)C2)N(C)C ZINC001291836090 847945569 /nfs/dbraw/zinc/94/55/69/847945569.db2.gz FYFYCXRBCFONKA-XQHKEYJVSA-N 0 3 351.451 -0.224 20 0 FBADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(N)=O)CC1)C2 ZINC001291837771 847945550 /nfs/dbraw/zinc/94/55/50/847945550.db2.gz UMQHCOASWXKVCF-AGIUHOORSA-N 0 3 351.451 -0.224 20 0 FBADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)NC)C2 ZINC001291855453 847946612 /nfs/dbraw/zinc/94/66/12/847946612.db2.gz SPNKBBCMPKWKEV-RDBSUJKOSA-N 0 3 353.467 -0.105 20 0 FBADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2)N(C)C ZINC001291858446 847946728 /nfs/dbraw/zinc/94/67/28/847946728.db2.gz JFFRGEDCMNPNQZ-OSFYFWSMSA-N 0 3 353.467 -0.121 20 0 FBADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2)N(C)C ZINC001291858449 847946565 /nfs/dbraw/zinc/94/65/65/847946565.db2.gz JFFRGEDCMNPNQZ-UKTARXLSSA-N 0 3 353.467 -0.121 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001291864770 847946869 /nfs/dbraw/zinc/94/68/69/847946869.db2.gz BMWUVDAKGIRIEZ-RFGFWPKPSA-N 0 3 372.491 -0.732 20 0 FBADHN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC001291864772 847947029 /nfs/dbraw/zinc/94/70/29/847947029.db2.gz BMWUVDAKGIRIEZ-ZOBORPQBSA-N 0 3 372.491 -0.732 20 0 FBADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2)N(C)C ZINC001291872122 847947880 /nfs/dbraw/zinc/94/78/80/847947880.db2.gz PHNSRDKAHBTSQW-XQHKEYJVSA-N 0 3 360.480 -0.876 20 0 FBADHN CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)N(C)C ZINC001291873385 847948035 /nfs/dbraw/zinc/94/80/35/847948035.db2.gz ZHQZTEOPCMTFCR-OSFYFWSMSA-N 0 3 374.507 -0.630 20 0 FBADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)C2 ZINC001291889393 847948918 /nfs/dbraw/zinc/94/89/18/847948918.db2.gz DJWBVFUGUMBEDY-RDBSUJKOSA-N 0 3 374.507 -0.532 20 0 FBADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)C2)N(C)C ZINC001291889645 847948757 /nfs/dbraw/zinc/94/87/57/847948757.db2.gz JKDJLUUMCPYLSW-RFGFWPKPSA-N 0 3 374.507 -0.534 20 0 FBADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)C2)N(C)C ZINC001291889655 847949074 /nfs/dbraw/zinc/94/90/74/847949074.db2.gz JKDJLUUMCPYLSW-RQJABVFESA-N 0 3 374.507 -0.534 20 0 FBADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001291890467 847948847 /nfs/dbraw/zinc/94/88/47/847948847.db2.gz QEXKIZOAKXWQDE-RFGFWPKPSA-N 0 3 372.491 -0.732 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001291890468 847949110 /nfs/dbraw/zinc/94/91/10/847949110.db2.gz QEXKIZOAKXWQDE-ZOBORPQBSA-N 0 3 372.491 -0.732 20 0 FBADHN CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)N(C)C ZINC001291894220 847948642 /nfs/dbraw/zinc/94/86/42/847948642.db2.gz GFEUUIJMIOIOFL-OSFYFWSMSA-N 0 3 353.467 -0.250 20 0 FBADHN CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)N(C)C ZINC001291894221 847948931 /nfs/dbraw/zinc/94/89/31/847948931.db2.gz GFEUUIJMIOIOFL-UKTARXLSSA-N 0 3 353.467 -0.250 20 0 FBADHN CC(C)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCS(N)(=O)=O ZINC001291896496 847949865 /nfs/dbraw/zinc/94/98/65/847949865.db2.gz CQBKDSMBHWRBBT-RDBSUJKOSA-N 0 3 374.507 -0.357 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)NC(N)=O)N(C)C ZINC001291900133 847949999 /nfs/dbraw/zinc/94/99/99/847949999.db2.gz DPSSCSHJDOAADD-NDKCEZKHSA-N 0 3 353.467 -0.123 20 0 FBADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNS(=O)(=O)CC)N(C)C ZINC001291912913 847950723 /nfs/dbraw/zinc/95/07/23/847950723.db2.gz GNARVXPMWWHRQX-RQJABVFESA-N 0 3 374.507 -0.486 20 0 FBADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCS(=O)(=O)NC)N(C)C ZINC001291913509 847951213 /nfs/dbraw/zinc/95/12/13/847951213.db2.gz LZKYFWQHECXWTE-RQJABVFESA-N 0 3 374.507 -0.486 20 0 FBADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1)N(C)C ZINC001291944972 847951889 /nfs/dbraw/zinc/95/18/89/847951889.db2.gz XKLDLGQISOEYSH-QXSJWSMHSA-N 0 3 352.479 -0.093 20 0 FBADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1)N(C)C ZINC001291944973 847952045 /nfs/dbraw/zinc/95/20/45/847952045.db2.gz XKLDLGQISOEYSH-UGUYLWEFSA-N 0 3 352.479 -0.093 20 0 FBADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CS(=O)(=O)N(C)C ZINC001291957532 847953417 /nfs/dbraw/zinc/95/34/17/847953417.db2.gz WPFUHGXSPVRXJL-RDBSUJKOSA-N 0 3 374.507 -0.532 20 0 FBADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(N)=O)N(C)C ZINC001291997478 847955414 /nfs/dbraw/zinc/95/54/14/847955414.db2.gz WUKDVEQYTGTJCA-UKTARXLSSA-N 0 3 353.467 -0.121 20 0 FBADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)S(C)(=O)=O)N(C)C ZINC001292009137 847955074 /nfs/dbraw/zinc/95/50/74/847955074.db2.gz WITKSEXUAYTWBQ-RFGFWPKPSA-N 0 3 374.507 -0.534 20 0 FBADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001292068372 847958520 /nfs/dbraw/zinc/95/85/20/847958520.db2.gz GTWMAEWNTYDUAO-LVQVYYBASA-N 0 3 352.479 -0.095 20 0 FBADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001292068373 847958443 /nfs/dbraw/zinc/95/84/43/847958443.db2.gz GTWMAEWNTYDUAO-WCVJEAGWSA-N 0 3 352.479 -0.095 20 0 FBADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(NC(N)=O)CC1)C2)N(C)C ZINC001292073558 847958196 /nfs/dbraw/zinc/95/81/96/847958196.db2.gz FYFYCXRBCFONKA-LPWJVIDDSA-N 0 3 351.451 -0.224 20 0 FBADHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)NC)C2 ZINC001292088075 847959490 /nfs/dbraw/zinc/95/94/90/847959490.db2.gz JLWIJCYTHSQOGC-MCIONIFRSA-N 0 3 353.467 -0.105 20 0 FBADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2)N(C)C ZINC001292107971 847960009 /nfs/dbraw/zinc/96/00/09/847960009.db2.gz PHNSRDKAHBTSQW-NDBYEHHHSA-N 0 3 360.480 -0.876 20 0 FBADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001292109270 847960156 /nfs/dbraw/zinc/96/01/56/847960156.db2.gz XISXCVGPHLLBMP-UPJWGTAASA-N 0 3 360.480 -0.875 20 0 FBADHN CNS(=O)(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)C(C)C)C2 ZINC001292127319 847962386 /nfs/dbraw/zinc/96/23/86/847962386.db2.gz AJNDFVQKVBHTJM-UPJWGTAASA-N 0 3 360.480 -0.876 20 0 FBADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNS(C)(=O)=O ZINC001292127503 847961995 /nfs/dbraw/zinc/96/19/95/847961995.db2.gz JKLBXISTLHIOQS-MCIONIFRSA-N 0 3 374.507 -0.486 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CS(=O)(=O)NC)N(C)C ZINC001292140567 847963743 /nfs/dbraw/zinc/96/37/43/847963743.db2.gz BYCHKOVLSILCKE-LPWJVIDDSA-N 0 3 360.480 -0.876 20 0 FBADHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001292146961 847963511 /nfs/dbraw/zinc/96/35/11/847963511.db2.gz NEBUPGKQLPQCTA-UTUOFQBUSA-N 0 3 360.405 -0.042 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CN(C)CCO1 ZINC001292176712 847965618 /nfs/dbraw/zinc/96/56/18/847965618.db2.gz AFXHFTFHJHEZTM-LVQVYYBASA-N 0 3 352.479 -0.093 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(C)CCO1 ZINC001292176713 847965680 /nfs/dbraw/zinc/96/56/80/847965680.db2.gz AFXHFTFHJHEZTM-WCVJEAGWSA-N 0 3 352.479 -0.093 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CS(=O)(=O)NC ZINC001292176787 847965557 /nfs/dbraw/zinc/96/55/57/847965557.db2.gz DGURXNGBPPIECI-UPJWGTAASA-N 0 3 360.480 -0.875 20 0 FBADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(N)=O)N1CCCC1 ZINC001292181082 847965734 /nfs/dbraw/zinc/96/57/34/847965734.db2.gz APKSNCGVKZQCPV-UPJWGTAASA-N 0 3 351.451 -0.223 20 0 FBADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001292187322 847966652 /nfs/dbraw/zinc/96/66/52/847966652.db2.gz ZEWRESBSMPVUIG-MCIONIFRSA-N 0 3 372.491 -0.778 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)NC)N(C)C ZINC001292233659 847967999 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/nfs/dbraw/zinc/03/39/13/848033913.db2.gz KLTSFZJSBLOASD-PEBVRCNWSA-N 0 3 356.442 -0.105 20 0 FBADHN CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001296370587 848037419 /nfs/dbraw/zinc/03/74/19/848037419.db2.gz BULHAOXETQEWAU-BFHYXJOUSA-N 0 3 356.467 -0.430 20 0 FBADHN CCN(C)C(C)(C)C(=O)N(CC)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001296373381 848038845 /nfs/dbraw/zinc/03/88/45/848038845.db2.gz HNYZZBGOOKTSDT-QWHCGFSZSA-N 0 3 356.467 -0.286 20 0 FBADHN CN1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001296630337 848042403 /nfs/dbraw/zinc/04/24/03/848042403.db2.gz HWTZZUGLFPSMEW-HZSPNIEDSA-N 0 3 352.435 -0.779 20 0 FBADHN CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)CC2)CC1 ZINC001296787174 848044307 /nfs/dbraw/zinc/04/43/07/848044307.db2.gz XEZQFDIPKVVRRL-PHIMTYICSA-N 0 3 350.423 -0.242 20 0 FBADHN CC(C)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001296921979 848046243 /nfs/dbraw/zinc/04/62/43/848046243.db2.gz QKXCXTLNAIWKRS-MELADBBJSA-N 0 3 354.451 -0.533 20 0 FBADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001297072997 848047906 /nfs/dbraw/zinc/04/79/06/848047906.db2.gz UNDGWXPOXSXTMB-OLZOCXBDSA-N 0 3 367.368 0.000 20 0 FBADHN CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)N(C)C ZINC001297242456 848051744 /nfs/dbraw/zinc/05/17/44/848051744.db2.gz WOEWYHLYDLVJHP-BFHYXJOUSA-N 0 3 354.451 -0.820 20 0 FBADHN CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)N(C)C ZINC001297242458 848052178 /nfs/dbraw/zinc/05/21/78/848052178.db2.gz WOEWYHLYDLVJHP-MJBXVCDLSA-N 0 3 354.451 -0.820 20 0 FBADHN NC(=O)[C@@H](O)CNC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001297346010 848054923 /nfs/dbraw/zinc/05/49/23/848054923.db2.gz OFYGBUARHIAANY-AWEZNQCLSA-N 0 3 354.838 -0.186 20 0 FBADHN NC(=O)[C@H](O)CNC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001297346011 848054768 /nfs/dbraw/zinc/05/47/68/848054768.db2.gz OFYGBUARHIAANY-CQSZACIVSA-N 0 3 354.838 -0.186 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001297517419 848057657 /nfs/dbraw/zinc/05/76/57/848057657.db2.gz LMXRWCNBHYHRTE-HNKHHVNMSA-N 0 3 353.463 -0.290 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001297517420 848057827 /nfs/dbraw/zinc/05/78/27/848057827.db2.gz LMXRWCNBHYHRTE-TUUVXOQKSA-N 0 3 353.463 -0.290 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001297517421 848057351 /nfs/dbraw/zinc/05/73/51/848057351.db2.gz LMXRWCNBHYHRTE-UKMLZYKCSA-N 0 3 353.463 -0.290 20 0 FBADHN C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001297517422 848057716 /nfs/dbraw/zinc/05/77/16/848057716.db2.gz LMXRWCNBHYHRTE-XZDPQHSOSA-N 0 3 353.463 -0.290 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001297518133 848057864 /nfs/dbraw/zinc/05/78/64/848057864.db2.gz XBPWYEOKKUDWGX-LLVKDONJSA-N 0 3 356.423 -0.209 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001297518135 848057453 /nfs/dbraw/zinc/05/74/53/848057453.db2.gz XBPWYEOKKUDWGX-NSHDSACASA-N 0 3 356.423 -0.209 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001297518181 848058018 /nfs/dbraw/zinc/05/80/18/848058018.db2.gz XTBKLAARSWSYBM-GWCFXTLKSA-N 0 3 370.837 -0.648 20 0 FBADHN CN(C)C[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001297518182 848058058 /nfs/dbraw/zinc/05/80/58/848058058.db2.gz XTBKLAARSWSYBM-GXFFZTMASA-N 0 3 370.837 -0.648 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001297518183 848058041 /nfs/dbraw/zinc/05/80/41/848058041.db2.gz XTBKLAARSWSYBM-MFKMUULPSA-N 0 3 370.837 -0.648 20 0 FBADHN CN(C)C[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001297518184 848057438 /nfs/dbraw/zinc/05/74/38/848057438.db2.gz XTBKLAARSWSYBM-ZWNOBZJWSA-N 0 3 370.837 -0.648 20 0 FBADHN CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001297672948 848060015 /nfs/dbraw/zinc/06/00/15/848060015.db2.gz NOJJRCJILTWULS-HZSPNIEDSA-N 0 3 354.451 -0.532 20 0 FBADHN COc1cc(OC)nc(C(=O)NCC(=O)NCCN2CCCCC2)n1 ZINC001297879646 848063903 /nfs/dbraw/zinc/06/39/03/848063903.db2.gz GQLVFUAULRAISL-UHFFFAOYSA-N 0 3 351.407 -0.174 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCC2)s1 ZINC001297880059 848063538 /nfs/dbraw/zinc/06/35/38/848063538.db2.gz PHZCIVKUQNFAHZ-UHFFFAOYSA-N 0 3 374.488 -0.273 20 0 FBADHN CSCC[C@H](NC(N)=O)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001297880078 848063828 /nfs/dbraw/zinc/06/38/28/848063828.db2.gz QANIVJWYLQMXHR-LBPRGKRZSA-N 0 3 359.496 -0.505 20 0 FBADHN O=C(N[C@H]1CCCN(CCCO)C1)C1CCC2(CC1)NC(=O)NC2=O ZINC001298083715 848068639 /nfs/dbraw/zinc/06/86/39/848068639.db2.gz PEVDSZIVHICDGO-JZLYGMAVSA-N 0 3 352.435 -0.282 20 0 FBADHN O=C(N[C@@H]1CCCN(CCCO)C1)C1CCC2(CC1)NC(=O)NC2=O ZINC001298083716 848068362 /nfs/dbraw/zinc/06/83/62/848068362.db2.gz PEVDSZIVHICDGO-UIORMTCPSA-N 0 3 352.435 -0.282 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC001298084101 848068531 /nfs/dbraw/zinc/06/85/31/848068531.db2.gz YNFQUGXOUOCVKF-AWEZNQCLSA-N 0 3 362.496 -0.874 20 0 FBADHN CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC001298084102 848068607 /nfs/dbraw/zinc/06/86/07/848068607.db2.gz YNFQUGXOUOCVKF-CQSZACIVSA-N 0 3 362.496 -0.874 20 0 FBADHN CC(C)(C(=O)NC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2)N1CCCCC1 ZINC001298185134 848071363 /nfs/dbraw/zinc/07/13/63/848071363.db2.gz SLJQSZJQPNTZSM-DEYYWGMASA-N 0 3 353.463 -0.119 20 0 FBADHN CC(C)(C(=O)NC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2)N1CCCCC1 ZINC001298185135 848071119 /nfs/dbraw/zinc/07/11/19/848071119.db2.gz SLJQSZJQPNTZSM-IYOUNJFTSA-N 0 3 353.463 -0.119 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298189348 848072399 /nfs/dbraw/zinc/07/23/99/848072399.db2.gz NUAKZDGDEGTTAU-GRYCIOLGSA-N 0 3 351.407 -0.962 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298189348 848072395 /nfs/dbraw/zinc/07/23/95/848072395.db2.gz NUAKZDGDEGTTAU-GRYCIOLGSA-N 0 3 351.407 -0.962 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298189349 848071942 /nfs/dbraw/zinc/07/19/42/848071942.db2.gz NUAKZDGDEGTTAU-IJLUTSLNSA-N 0 3 351.407 -0.962 20 0 FBADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298189349 848071935 /nfs/dbraw/zinc/07/19/35/848071935.db2.gz NUAKZDGDEGTTAU-IJLUTSLNSA-N 0 3 351.407 -0.962 20 0 FBADHN NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCCN2CCO)s1 ZINC001298281395 848075961 /nfs/dbraw/zinc/07/59/61/848075961.db2.gz NXQMMBSYYQUAFL-LLVKDONJSA-N 0 3 361.489 -0.099 20 0 FBADHN NS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCCN2CCO)s1 ZINC001298281396 848075510 /nfs/dbraw/zinc/07/55/10/848075510.db2.gz NXQMMBSYYQUAFL-NSHDSACASA-N 0 3 361.489 -0.099 20 0 FBADHN CN1CCN(CC2CN(C(=O)Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC001298437849 848076932 /nfs/dbraw/zinc/07/69/32/848076932.db2.gz KVSOUSNOGHHBKD-UHFFFAOYSA-N 0 3 372.516 -0.356 20 0 FBADHN Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC001298756260 848082298 /nfs/dbraw/zinc/08/22/98/848082298.db2.gz JVEAQUQAHVHSCZ-LLVKDONJSA-N 0 3 359.423 -0.032 20 0 FBADHN Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC001298756262 848082328 /nfs/dbraw/zinc/08/23/28/848082328.db2.gz JVEAQUQAHVHSCZ-NSHDSACASA-N 0 3 359.423 -0.032 20 0 FBADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001298834101 848083209 /nfs/dbraw/zinc/08/32/09/848083209.db2.gz XMGYTRXQHOBYAY-RKOGSIPDSA-N 0 3 350.419 -0.067 20 0 FBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)C(C)(C)N1CCCC1 ZINC001298835563 848083303 /nfs/dbraw/zinc/08/33/03/848083303.db2.gz CWKSEPLNHHUGFO-RWMBFGLXSA-N 0 3 354.451 -0.485 20 0 FBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)OC)CC1=O ZINC001298847395 848084249 /nfs/dbraw/zinc/08/42/49/848084249.db2.gz PVTMVRWNGACOOT-MELADBBJSA-N 0 3 355.435 -0.519 20 0 FBADHN C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001299244631 837226343 /nfs/dbraw/zinc/22/63/43/837226343.db2.gz CEFSMPKUOHHMQI-FRRDWIJNSA-N 0 3 352.435 -0.731 20 0 FBADHN C[C@H]1CCCN1CC(=O)NC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001299244632 837226264 /nfs/dbraw/zinc/22/62/64/837226264.db2.gz CEFSMPKUOHHMQI-RWMBFGLXSA-N 0 3 352.435 -0.731 20 0 FBADHN CC(C)[C@@H](C(=O)NC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1)N(C)C ZINC001299244755 837225873 /nfs/dbraw/zinc/22/58/73/837225873.db2.gz FNOQJALQFNQOQX-XQQFMLRXSA-N 0 3 354.451 -0.630 20 0 FBADHN CC(C)[C@H](C(=O)NC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1)N(C)C ZINC001299244756 837226119 /nfs/dbraw/zinc/22/61/19/837226119.db2.gz FNOQJALQFNQOQX-YNEHKIRRSA-N 0 3 354.451 -0.630 20 0 FBADHN CCN1CCN(CCC(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001299267892 837332820 /nfs/dbraw/zinc/33/28/20/837332820.db2.gz ZUXWSJQDMNMVPN-UHFFFAOYSA-N 0 3 351.455 -0.699 20 0 FBADHN CNS(=O)(=O)CCn1c(C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001299296352 837800321 /nfs/dbraw/zinc/80/03/21/837800321.db2.gz LELSUJBVGKUFND-AWEZNQCLSA-N 0 3 372.495 -0.706 20 0 FBADHN CNS(=O)(=O)CCn1c(C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001299296360 837800104 /nfs/dbraw/zinc/80/01/04/837800104.db2.gz LELSUJBVGKUFND-CQSZACIVSA-N 0 3 372.495 -0.706 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001299304249 838802413 /nfs/dbraw/zinc/80/24/13/838802413.db2.gz CTQVXRRCNZVHAY-GLJUWKHASA-N 0 3 350.463 -0.099 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001299304250 838802750 /nfs/dbraw/zinc/80/27/50/838802750.db2.gz CTQVXRRCNZVHAY-QWQRMKEZSA-N 0 3 350.463 -0.099 20 0 FBADHN CN(C)CCN1C[C@@H](C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)CC1=O ZINC001299420617 841905906 /nfs/dbraw/zinc/90/59/06/841905906.db2.gz BESFOPKSTVLGTJ-AWEZNQCLSA-N 0 3 371.503 -0.034 20 0 FBADHN CN(C)CCN1C[C@H](C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)CC1=O ZINC001299420619 841906103 /nfs/dbraw/zinc/90/61/03/841906103.db2.gz BESFOPKSTVLGTJ-CQSZACIVSA-N 0 3 371.503 -0.034 20 0 FBADHN CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001299542048 846423817 /nfs/dbraw/zinc/42/38/17/846423817.db2.gz ZDAHMOGRZVECTJ-AHIWAGSCSA-N 0 3 354.451 -0.532 20 0 FBADHN CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001299542050 846423793 /nfs/dbraw/zinc/42/37/93/846423793.db2.gz ZDAHMOGRZVECTJ-OGHNNQOOSA-N 0 3 354.451 -0.532 20 0 FBADHN CN1CCC(N(CCO)C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001300046299 852120247 /nfs/dbraw/zinc/12/02/47/852120247.db2.gz KPULBLSJBDGVHV-UHFFFAOYSA-N 0 3 352.435 -0.330 20 0 FBADHN CN1CCC(N(CCO)C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001300046448 852120061 /nfs/dbraw/zinc/12/00/61/852120061.db2.gz RKAMIOWPKLWZTF-UHFFFAOYSA-N 0 3 371.459 -0.372 20 0 FBADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CCO)C1CCN(C)CC1 ZINC001300046597 852119998 /nfs/dbraw/zinc/11/99/98/852119998.db2.gz WVWQCRZKAKKDFV-UHFFFAOYSA-N 0 3 356.448 -0.434 20 0 FBADHN NS(=O)(=O)c1ccc(NCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC001300147648 852151290 /nfs/dbraw/zinc/15/12/90/852151290.db2.gz HXCRBTDPHBUGJO-WDEREUQCSA-N 0 3 372.422 -0.838 20 0 FBADHN 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ZINC001316635334 847494568 /nfs/dbraw/zinc/49/45/68/847494568.db2.gz BAMFWDBMUUDBJN-KKOKHZNYSA-N 0 3 365.459 -0.288 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCC(=O)Nc2nncs2)C1 ZINC001316636608 847500379 /nfs/dbraw/zinc/50/03/79/847500379.db2.gz PCPWJTQMUXAJHM-KYXWUPHJSA-N 0 3 352.420 -0.918 20 0 FBADHN O=C(CN[C@@H]1CC[C@H](CNC(=O)Cn2cnnn2)C1)Nc1nccs1 ZINC001316645546 847572533 /nfs/dbraw/zinc/57/25/33/847572533.db2.gz JTOKPDAGFAGGGV-WDEREUQCSA-N 0 3 364.435 -0.357 20 0 FBADHN CS(=O)(=O)CC(=O)NC[C@H]1CC[C@@H](NCC(=O)Nc2cnccn2)C1 ZINC001316646693 847575014 /nfs/dbraw/zinc/57/50/14/847575014.db2.gz BHTLADJTTVXUNG-NWDGAFQWSA-N 0 3 369.447 -0.666 20 0 FBADHN Cn1cc(C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3nncs3)C2)nn1 ZINC001316649105 847904925 /nfs/dbraw/zinc/90/49/25/847904925.db2.gz FZUNTRLJMLBJCT-VHSXEESVSA-N 0 3 364.435 -0.207 20 0 FBADHN O=C(CN[C@@H]1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1)Nc1ccon1 ZINC001316651129 847978251 /nfs/dbraw/zinc/97/82/51/847978251.db2.gz NSSOCULHKNGINQ-CMPLNLGQSA-N 0 3 370.431 -0.468 20 0 FBADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001316655093 847999625 /nfs/dbraw/zinc/99/96/25/847999625.db2.gz NQDFOBOTZNQYJA-WDEREUQCSA-N 0 3 364.431 -0.125 20 0 FBADHN O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nnc[n-]2)C1)Nc1nncs1 ZINC001316664996 848080517 /nfs/dbraw/zinc/08/05/17/848080517.db2.gz RMABBWZXPWSBNW-VHSXEESVSA-N 0 3 364.435 -0.288 20 0 FBADHN CN1C(=O)CN(CC(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)C1=O ZINC001316665243 848080942 /nfs/dbraw/zinc/08/09/42/848080942.db2.gz UNOAYUNEOVIETQ-WDEREUQCSA-N 0 3 366.447 -0.193 20 0 FBADHN Cc1nn(CC(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)c(=O)n1C ZINC001316667383 848091793 /nfs/dbraw/zinc/09/17/93/848091793.db2.gz WPFKLQULKJDPRB-NWDGAFQWSA-N 0 3 365.463 -0.184 20 0 FBADHN Cn1cc([C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2NCCS(C)(=O)=O)cn1 ZINC001316668550 848091830 /nfs/dbraw/zinc/09/18/30/848091830.db2.gz JBJOFNGPUPWKQI-GXTWGEPZSA-N 0 3 366.447 -0.614 20 0 FBADHN CCCC[C@@H](N[C@@H]1CN(C(=O)COC)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001316668609 848091785 /nfs/dbraw/zinc/09/17/85/848091785.db2.gz JQCRYAIWYNDDLE-RRFJBIMHSA-N 0 3 351.451 -0.005 20 0 FBADHN CCCC[C@H](N[C@@H]1CN(C(=O)COC)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001316668620 848091694 /nfs/dbraw/zinc/09/16/94/848091694.db2.gz JQCRYAIWYNDDLE-SOUVJXGZSA-N 0 3 351.451 -0.005 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1cnn(C)c1 ZINC001316677561 848096650 /nfs/dbraw/zinc/09/66/50/848096650.db2.gz HWWATXBRLPXUCP-RRFJBIMHSA-N 0 3 370.475 -0.472 20 0 FBADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1cnn(C)c1 ZINC001316677568 848096529 /nfs/dbraw/zinc/09/65/29/848096529.db2.gz HWWATXBRLPXUCP-ZNMIVQPWSA-N 0 3 370.475 -0.472 20 0 FBADHN CCO[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1CNCc1cc(C)n(C)n1 ZINC001316678621 848097989 /nfs/dbraw/zinc/09/79/89/848097989.db2.gz BIDOAEBTMVFAOH-GDBMZVCRSA-N 0 3 351.451 -0.182 20 0 FBADHN CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OCC ZINC001316685918 848111373 /nfs/dbraw/zinc/11/13/73/848111373.db2.gz HUQMUVFFYAWGOL-DGCLKSJQSA-N 0 3 351.407 -0.615 20 0 FBADHN CCO[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1CNCc1cnns1 ZINC001316686545 848112555 /nfs/dbraw/zinc/11/25/55/848112555.db2.gz NARCHXXEOXUXEF-ZYHUDNBSSA-N 0 3 356.452 -0.580 20 0 FBADHN CCO[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1CNCc1conc1C ZINC001316687567 848114127 /nfs/dbraw/zinc/11/41/27/848114127.db2.gz VSRFGTTTZRFRKV-TZMCWYRMSA-N 0 3 353.423 -0.135 20 0 FBADHN CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1OCC ZINC001316691503 848126965 /nfs/dbraw/zinc/12/69/65/848126965.db2.gz MEMHXVCTEDGPEB-OUCADQQQSA-N 0 3 352.439 -0.214 20 0 FBADHN CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1OCC ZINC001316691504 848126726 /nfs/dbraw/zinc/12/67/26/848126726.db2.gz MEMHXVCTEDGPEB-YRGRVCCFSA-N 0 3 352.439 -0.214 20 0 FBADHN CCO[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CNCc1ccn(C)n1 ZINC001316694045 848161633 /nfs/dbraw/zinc/16/16/33/848161633.db2.gz MQGOFVLATWZBOD-TZMCWYRMSA-N 0 3 352.439 -0.568 20 0 FBADHN CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001316696955 848244394 /nfs/dbraw/zinc/24/43/94/848244394.db2.gz YGCNUONJIRGBKB-CHWSQXEVSA-N 0 3 354.455 -0.196 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)=O ZINC001316697208 848244973 /nfs/dbraw/zinc/24/49/73/848244973.db2.gz CXANOZXOUCLVSZ-YPMHNXCESA-N 0 3 355.439 -0.863 20 0 FBADHN C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC1CC1)NC(N)=O ZINC001316698198 848248535 /nfs/dbraw/zinc/24/85/35/848248535.db2.gz CNJBGSJHRACJFZ-BZPMIXESSA-N 0 3 353.467 -0.071 20 0 FBADHN C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC1CC1)NC(N)=O ZINC001316698200 848248953 /nfs/dbraw/zinc/24/89/53/848248953.db2.gz CNJBGSJHRACJFZ-DYEKYZERSA-N 0 3 353.467 -0.071 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnsn1 ZINC001316698531 848250530 /nfs/dbraw/zinc/25/05/30/848250530.db2.gz WYWFKPICHMFWAZ-ZJUUUORDSA-N 0 3 354.436 -0.176 20 0 FBADHN CNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(=O)COC ZINC001316698865 848273425 /nfs/dbraw/zinc/27/34/25/848273425.db2.gz JMFLPOVHBIBNCO-MCIONIFRSA-N 0 3 356.467 -0.558 20 0 FBADHN CNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(=O)COC ZINC001316698866 848273040 /nfs/dbraw/zinc/27/30/40/848273040.db2.gz JMFLPOVHBIBNCO-RDBSUJKOSA-N 0 3 356.467 -0.558 20 0 FBADHN C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H](CNCC(=O)N(C)C2CC2)C1 ZINC001316699080 848273266 /nfs/dbraw/zinc/27/32/66/848273266.db2.gz LOSZMAMCJFJFON-DOMZBBRYSA-N 0 3 371.503 -0.132 20 0 FBADHN CNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCNS(C)(=O)=O ZINC001316699292 848296950 /nfs/dbraw/zinc/29/69/50/848296950.db2.gz NXQPUFLIOZASJY-AGIUHOORSA-N 0 3 362.496 -0.723 20 0 FBADHN CNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCNS(C)(=O)=O ZINC001316699294 848296364 /nfs/dbraw/zinc/29/63/64/848296364.db2.gz NXQPUFLIOZASJY-UPJWGTAASA-N 0 3 362.496 -0.723 20 0 FBADHN CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CN1CCOCC1=O ZINC001316699395 848296779 /nfs/dbraw/zinc/29/67/79/848296779.db2.gz FWBXJVYHBDSYEE-KGLIPLIRSA-N 0 3 354.451 -0.802 20 0 FBADHN CNC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCCC1 ZINC001316699447 848296273 /nfs/dbraw/zinc/29/62/73/848296273.db2.gz HHQJAAXWDRGTDV-KGLIPLIRSA-N 0 3 353.467 -0.246 20 0 FBADHN CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC ZINC001316699462 848296331 /nfs/dbraw/zinc/29/63/31/848296331.db2.gz PGUGVGUHQIBVME-AGIUHOORSA-N 0 3 362.496 -0.723 20 0 FBADHN CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC ZINC001316699464 848296262 /nfs/dbraw/zinc/29/62/62/848296262.db2.gz PGUGVGUHQIBVME-UPJWGTAASA-N 0 3 362.496 -0.723 20 0 FBADHN CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCNS(C)(=O)=O ZINC001316699517 848296593 /nfs/dbraw/zinc/29/65/93/848296593.db2.gz QEAXRGJSBFERRK-OLZOCXBDSA-N 0 3 362.496 -0.722 20 0 FBADHN CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)COCc1nccn1C ZINC001316700544 848298825 /nfs/dbraw/zinc/29/88/25/848298825.db2.gz QCFKBSHQZRTMJV-KGLIPLIRSA-N 0 3 351.451 -0.101 20 0 FBADHN C[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001316701337 848304488 /nfs/dbraw/zinc/30/44/88/848304488.db2.gz VRQKPDLDEFVIOM-ZBFHGGJFSA-N 0 3 352.479 -0.186 20 0 FBADHN C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O)n1cncn1 ZINC001316701522 848304882 /nfs/dbraw/zinc/30/48/82/848304882.db2.gz YACDNFSTVOUZIU-UTUOFQBUSA-N 0 3 351.411 -0.749 20 0 FBADHN C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O)n1cncn1 ZINC001316701523 848305146 /nfs/dbraw/zinc/30/51/46/848305146.db2.gz YACDNFSTVOUZIU-WOPDTQHZSA-N 0 3 351.411 -0.749 20 0 FBADHN CC(=O)N1CC(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)N2CCC2)C1 ZINC001316701776 848305220 /nfs/dbraw/zinc/30/52/20/848305220.db2.gz ZHRPOGNBQDPRCV-CJNGLKHVSA-N 0 3 350.463 -0.086 20 0 FBADHN CNC(=O)NCCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)N(C)C ZINC001316701779 848305176 /nfs/dbraw/zinc/30/51/76/848305176.db2.gz ZJMDKMUDNQRKJF-MCIONIFRSA-N 0 3 355.483 -0.001 20 0 FBADHN CNC(=O)NCCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)N(C)C ZINC001316701780 848304859 /nfs/dbraw/zinc/30/48/59/848304859.db2.gz ZJMDKMUDNQRKJF-RDBSUJKOSA-N 0 3 355.483 -0.001 20 0 FBADHN Cc1ncc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NC(N)=O)n1C ZINC001316703094 848298050 /nfs/dbraw/zinc/29/80/50/848298050.db2.gz CURRVPNUJLSRQG-PWSUYJOCSA-N 0 3 350.423 -0.246 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNCC(=O)N(C)C2CC2)C1 ZINC001316703441 848309517 /nfs/dbraw/zinc/30/95/17/848309517.db2.gz CUHFMYRQIBNWRU-BEAPCOKYSA-N 0 3 350.463 -0.055 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H](CNCC(=O)NCC2CC2)C1 ZINC001316704103 848302153 /nfs/dbraw/zinc/30/21/53/848302153.db2.gz BZTRSXSHVPMJAH-SNPRPXQTSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H](CNCC(=O)NCC2CC2)C1 ZINC001316704105 848302469 /nfs/dbraw/zinc/30/24/69/848302469.db2.gz BZTRSXSHVPMJAH-VHDGCEQUSA-N 0 3 350.463 -0.135 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001316704666 848303882 /nfs/dbraw/zinc/30/38/82/848303882.db2.gz BSIPMHYCFNWKBQ-IPYPFGDCSA-N 0 3 371.503 -0.084 20 0 FBADHN C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001316704668 848304076 /nfs/dbraw/zinc/30/40/76/848304076.db2.gz BSIPMHYCFNWKBQ-NFAWXSAZSA-N 0 3 371.503 -0.084 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](COC)OC ZINC001316705387 848305190 /nfs/dbraw/zinc/30/51/90/848305190.db2.gz WGJXYCBAEXXQQP-AGIUHOORSA-N 0 3 358.439 -0.680 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](COC)OC ZINC001316705389 848305025 /nfs/dbraw/zinc/30/50/25/848305025.db2.gz WGJXYCBAEXXQQP-FRRDWIJNSA-N 0 3 358.439 -0.680 20 0 FBADHN C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](CNCC(=O)NC(C)(C)C)C1 ZINC001316706283 848149616 /nfs/dbraw/zinc/14/96/16/848149616.db2.gz POYHPAQFICTAEH-NEPJUHHUSA-N 0 3 351.455 -0.045 20 0 FBADHN CCCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1nnn(C)n1 ZINC001316706750 848152528 /nfs/dbraw/zinc/15/25/28/848152528.db2.gz SKNSSRDJUDCYCC-AGIUHOORSA-N 0 3 351.455 -0.045 20 0 FBADHN CCCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1nnn(C)n1 ZINC001316706751 848152353 /nfs/dbraw/zinc/15/23/53/848152353.db2.gz SKNSSRDJUDCYCC-UPJWGTAASA-N 0 3 351.455 -0.045 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)CC(N)=O ZINC001316707156 848158615 /nfs/dbraw/zinc/15/86/15/848158615.db2.gz WSTBOQCOFLLGET-UTUOFQBUSA-N 0 3 355.439 -0.830 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)CC(N)=O ZINC001316707157 848158588 /nfs/dbraw/zinc/15/85/88/848158588.db2.gz WSTBOQCOFLLGET-WOPDTQHZSA-N 0 3 355.439 -0.830 20 0 FBADHN Cc1cncn1CC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O ZINC001316707303 848159784 /nfs/dbraw/zinc/15/97/84/848159784.db2.gz YBDVRPQTTXZUMS-YPMHNXCESA-N 0 3 350.423 -0.397 20 0 FBADHN CCN(C)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cnnn1 ZINC001316707361 848159514 /nfs/dbraw/zinc/15/95/14/848159514.db2.gz RCFFQKFPFYBCRE-KGLIPLIRSA-N 0 3 351.455 -0.242 20 0 FBADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cn(C)nc1C ZINC001316707695 848160491 /nfs/dbraw/zinc/16/04/91/848160491.db2.gz AFGLYEQNFNDGFH-DOMZBBRYSA-N 0 3 371.507 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CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(C)n1 ZINC001318739785 848399348 /nfs/dbraw/zinc/39/93/48/848399348.db2.gz SGPACSVRJWMHFZ-GFCCVEGCSA-N 0 3 350.423 -0.583 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(C)n1 ZINC001318739786 848399721 /nfs/dbraw/zinc/39/97/21/848399721.db2.gz SGPACSVRJWMHFZ-LBPRGKRZSA-N 0 3 350.423 -0.583 20 0 FBADHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001318757776 848400344 /nfs/dbraw/zinc/40/03/44/848400344.db2.gz VWILXTSYRPVZBG-CYZMBNFOSA-N 0 3 355.464 -0.475 20 0 FBADHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001318757777 848400237 /nfs/dbraw/zinc/40/02/37/848400237.db2.gz VWILXTSYRPVZBG-RAIGVLPGSA-N 0 3 355.464 -0.475 20 0 FBADHN Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)CC2 ZINC001318757778 848400400 /nfs/dbraw/zinc/40/04/00/848400400.db2.gz VWILXTSYRPVZBG-RTXFEEFZSA-N 0 3 355.464 -0.475 20 0 FBADHN Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)CC2 ZINC001318757779 848399936 /nfs/dbraw/zinc/39/99/36/848399936.db2.gz VWILXTSYRPVZBG-UHTWSYAYSA-N 0 3 355.464 -0.475 20 0 FBADHN NC(=O)[C@H]1CCCN(CCCNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)C1 ZINC001318769223 848400966 /nfs/dbraw/zinc/40/09/66/848400966.db2.gz OKHBEYJOIBJVJT-AVOUXACISA-N 0 3 351.447 -0.068 20 0 FBADHN NC(=O)[C@@H]1CCCN(CCCNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)C1 ZINC001318769224 848401017 /nfs/dbraw/zinc/40/10/17/848401017.db2.gz OKHBEYJOIBJVJT-FFHGMXDLSA-N 0 3 351.447 -0.068 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001318772426 848402057 /nfs/dbraw/zinc/40/20/57/848402057.db2.gz NESGAWWKIFVIRQ-UHFFFAOYSA-N 0 3 357.480 -0.618 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001318772750 848401783 /nfs/dbraw/zinc/40/17/83/848401783.db2.gz RMEYOLKATLELLF-HNNXBMFYSA-N 0 3 360.524 -0.799 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001318772760 848401756 /nfs/dbraw/zinc/40/17/56/848401756.db2.gz RMEYOLKATLELLF-OAHLLOKOSA-N 0 3 360.524 -0.799 20 0 FBADHN C[C@@H](CNC(=O)NCCOCCS(C)(=O)=O)CN1CCN(C)CC1 ZINC001318839971 848406163 /nfs/dbraw/zinc/40/61/63/848406163.db2.gz XOGCCEPMKMKWBE-AWEZNQCLSA-N 0 3 364.512 -0.770 20 0 FBADHN C[C@H](CNC(=O)NCCOCCS(C)(=O)=O)CN1CCN(C)CC1 ZINC001318839986 848406334 /nfs/dbraw/zinc/40/63/34/848406334.db2.gz XOGCCEPMKMKWBE-CQSZACIVSA-N 0 3 364.512 -0.770 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001318852480 848407527 /nfs/dbraw/zinc/40/75/27/848407527.db2.gz YCMFYLHPWVFDLP-UHFFFAOYSA-N 0 3 360.524 -0.104 20 0 FBADHN CN1CCC(NC(=S)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC001318954628 848413434 /nfs/dbraw/zinc/41/34/34/848413434.db2.gz QXZDQFBPEDXQNS-UHFFFAOYSA-N 0 3 361.493 -0.348 20 0 FBADHN CNC(=O)Cc1noc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC001318955951 848413567 /nfs/dbraw/zinc/41/35/67/848413567.db2.gz FOKWKRPNVFDQNU-BQBZGAKWSA-N 0 3 364.280 -0.142 20 0 FBADHN CNC(=O)Cc1noc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC001318955958 848413712 /nfs/dbraw/zinc/41/37/12/848413712.db2.gz FOKWKRPNVFDQNU-NKWVEPMBSA-N 0 3 364.280 -0.142 20 0 FBADHN CNC(=O)Cc1noc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC001318955959 848413771 /nfs/dbraw/zinc/41/37/71/848413771.db2.gz FOKWKRPNVFDQNU-RNFRBKRXSA-N 0 3 364.280 -0.142 20 0 FBADHN CNC(=O)Cc1noc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC001318955960 848413467 /nfs/dbraw/zinc/41/34/67/848413467.db2.gz FOKWKRPNVFDQNU-RQJHMYQMSA-N 0 3 364.280 -0.142 20 0 FBADHN CCN1CCN(CCC(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC001318960772 848414986 /nfs/dbraw/zinc/41/49/86/848414986.db2.gz FOUYPULTTOFCNH-UHFFFAOYSA-N 0 3 373.479 -0.762 20 0 FBADHN C[C@H](CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)CN1CCN(C)CC1 ZINC001318969104 848414942 /nfs/dbraw/zinc/41/49/42/848414942.db2.gz GARRWWBKVGWLEN-CABCVRRESA-N 0 3 354.499 -0.040 20 0 FBADHN C[C@@H](CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)CN1CCN(C)CC1 ZINC001318969105 848414645 /nfs/dbraw/zinc/41/46/45/848414645.db2.gz GARRWWBKVGWLEN-GJZGRUSLSA-N 0 3 354.499 -0.040 20 0 FBADHN C[C@H](CNC(=O)N1CCC[C@H](CNC(N)=O)C1)CN1CCN(C)CC1 ZINC001318969106 848414758 /nfs/dbraw/zinc/41/47/58/848414758.db2.gz GARRWWBKVGWLEN-HUUCEWRRSA-N 0 3 354.499 -0.040 20 0 FBADHN C[C@@H](CNC(=O)N1CCC[C@H](CNC(N)=O)C1)CN1CCN(C)CC1 ZINC001318969107 848415012 /nfs/dbraw/zinc/41/50/12/848415012.db2.gz GARRWWBKVGWLEN-LSDHHAIUSA-N 0 3 354.499 -0.040 20 0 FBADHN COC1CCN(CCNC(=O)NCCOCCS(C)(=O)=O)CC1 ZINC001318977558 848414876 /nfs/dbraw/zinc/41/48/76/848414876.db2.gz NAJCOKCZLRSEKJ-UHFFFAOYSA-N 0 3 351.469 -0.542 20 0 FBADHN CCN1CCN(CCC(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC001318990946 848416817 /nfs/dbraw/zinc/41/68/17/848416817.db2.gz ABHJSCVXHGFMAY-UHFFFAOYSA-N 0 3 357.480 -0.106 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001319031209 848420320 /nfs/dbraw/zinc/42/03/20/848420320.db2.gz DTCZDMBCSXOWKY-ILXRZTDVSA-N 0 3 350.463 -0.005 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001319031210 848420510 /nfs/dbraw/zinc/42/05/10/848420510.db2.gz DTCZDMBCSXOWKY-QLFBSQMISA-N 0 3 350.463 -0.005 20 0 FBADHN COC1CCN(CCNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001319033597 848420862 /nfs/dbraw/zinc/42/08/62/848420862.db2.gz VNNLJMJVFMDGRI-UHFFFAOYSA-N 0 3 362.496 -0.180 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccn(CCOC)n2)CC1 ZINC001319036427 848421823 /nfs/dbraw/zinc/42/18/23/848421823.db2.gz XUSVRYSHJWRCEL-UHFFFAOYSA-N 0 3 352.439 -0.778 20 0 FBADHN CN(CCNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1)C1CC1 ZINC001319042702 848422617 /nfs/dbraw/zinc/42/26/17/848422617.db2.gz KXZJIWCQMLLBRX-UHFFFAOYSA-N 0 3 357.436 -0.923 20 0 FBADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001319052620 848423766 /nfs/dbraw/zinc/42/37/66/848423766.db2.gz ABUVUOQXBGSWCM-NXEZZACHSA-N 0 3 362.481 -0.981 20 0 FBADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001319052626 848423881 /nfs/dbraw/zinc/42/38/81/848423881.db2.gz ABUVUOQXBGSWCM-UWVGGRQHSA-N 0 3 362.481 -0.981 20 0 FBADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001319052627 848423653 /nfs/dbraw/zinc/42/36/53/848423653.db2.gz ABUVUOQXBGSWCM-VHSXEESVSA-N 0 3 362.481 -0.981 20 0 FBADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001319052628 848423818 /nfs/dbraw/zinc/42/38/18/848423818.db2.gz ABUVUOQXBGSWCM-ZJUUUORDSA-N 0 3 362.481 -0.981 20 0 FBADHN CCN1CCN(CCC(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC001319090801 848426758 /nfs/dbraw/zinc/42/67/58/848426758.db2.gz UFKYKLGCWHYVCL-AWEZNQCLSA-N 0 3 350.467 -0.117 20 0 FBADHN CCN1CCN(CCC(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC001319090802 848426700 /nfs/dbraw/zinc/42/67/00/848426700.db2.gz UFKYKLGCWHYVCL-CQSZACIVSA-N 0 3 350.467 -0.117 20 0 FBADHN CO[C@H](C)c1noc(CN2CCCN(CCC(=O)NC(N)=O)CC2)n1 ZINC001319102155 848428525 /nfs/dbraw/zinc/42/85/25/848428525.db2.gz ILXHXDRHVZUDFT-LLVKDONJSA-N 0 3 354.411 -0.130 20 0 FBADHN CO[C@@H](C)c1noc(CN2CCCN(CCC(=O)NC(N)=O)CC2)n1 ZINC001319102156 848428647 /nfs/dbraw/zinc/42/86/47/848428647.db2.gz ILXHXDRHVZUDFT-NSHDSACASA-N 0 3 354.411 -0.130 20 0 FBADHN C[C@H](CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1)N1CCCC1 ZINC001319105830 848428407 /nfs/dbraw/zinc/42/84/07/848428407.db2.gz QBKNYHXMISCCOO-GFCCVEGCSA-N 0 3 371.463 -0.533 20 0 FBADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1)N1CCCC1 ZINC001319105831 848428551 /nfs/dbraw/zinc/42/85/51/848428551.db2.gz QBKNYHXMISCCOO-LBPRGKRZSA-N 0 3 371.463 -0.533 20 0 FBADHN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001319106149 848428628 /nfs/dbraw/zinc/42/86/28/848428628.db2.gz BQTWEELYDMEEKR-RBSFLKMASA-N 0 3 350.463 -0.038 20 0 FBADHN CC(C)CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319111467 848429939 /nfs/dbraw/zinc/42/99/39/848429939.db2.gz GOTZWYMXFNFTAR-HZSPNIEDSA-N 0 3 354.451 -0.628 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC001319152714 848432697 /nfs/dbraw/zinc/43/26/97/848432697.db2.gz LOCUAXGGEBBWFJ-UHFFFAOYSA-N 0 3 358.393 -0.160 20 0 FBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC001319153652 848433132 /nfs/dbraw/zinc/43/31/32/848433132.db2.gz VANIGZOVGXWAFZ-UHFFFAOYSA-N 0 3 358.393 -0.160 20 0 FBADHN CCN1CCN(CCC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001319176948 848435731 /nfs/dbraw/zinc/43/57/31/848435731.db2.gz GDIMSZWFFDIFHL-UHFFFAOYSA-N 0 3 360.524 -0.104 20 0 FBADHN O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001319186266 848435675 /nfs/dbraw/zinc/43/56/75/848435675.db2.gz ZALAPJCWSNIDTM-AWEZNQCLSA-N 0 3 355.460 -0.299 20 0 FBADHN O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001319186267 848436138 /nfs/dbraw/zinc/43/61/38/848436138.db2.gz ZALAPJCWSNIDTM-CQSZACIVSA-N 0 3 355.460 -0.299 20 0 FBADHN COC(=O)CCN(CC(=O)N1CCC(C(N)=O)CC1)C1CCOCC1 ZINC001319193584 848437177 /nfs/dbraw/zinc/43/71/77/848437177.db2.gz WLJOXYOSMHGTJA-UHFFFAOYSA-N 0 3 355.435 -0.246 20 0 FBADHN COCCn1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)n1 ZINC001319194129 848437130 /nfs/dbraw/zinc/43/71/30/848437130.db2.gz GTIPKTKWYFZQIM-UHFFFAOYSA-N 0 3 353.423 -0.305 20 0 FBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 ZINC001319195411 848436960 /nfs/dbraw/zinc/43/69/60/848436960.db2.gz NIRQMEUPILGICL-GFCCVEGCSA-N 0 3 371.463 -0.676 20 0 FBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 ZINC001319195433 848437215 /nfs/dbraw/zinc/43/72/15/848437215.db2.gz NIRQMEUPILGICL-LBPRGKRZSA-N 0 3 371.463 -0.676 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)ccc1=O ZINC001319210728 848438154 /nfs/dbraw/zinc/43/81/54/848438154.db2.gz GECOBAMOWHPQQG-CYBMUJFWSA-N 0 3 350.419 -0.109 20 0 FBADHN COCCn1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc1=O ZINC001319210729 848438179 /nfs/dbraw/zinc/43/81/79/848438179.db2.gz GECOBAMOWHPQQG-ZDUSSCGKSA-N 0 3 350.419 -0.109 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)N(C)CCNS(C)(=O)=O)CC1 ZINC001319245556 848440874 /nfs/dbraw/zinc/44/08/74/848440874.db2.gz VITBMSKXGNKUIK-AWEZNQCLSA-N 0 3 363.528 -0.549 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)N(C)CCNS(C)(=O)=O)CC1 ZINC001319245557 848440842 /nfs/dbraw/zinc/44/08/42/848440842.db2.gz VITBMSKXGNKUIK-CQSZACIVSA-N 0 3 363.528 -0.549 20 0 FBADHN CC(=O)N[C@H]1CCCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001319263724 848442880 /nfs/dbraw/zinc/44/28/80/848442880.db2.gz RIIZDMOIZTZULA-AWEZNQCLSA-N 0 3 374.507 -0.531 20 0 FBADHN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001319263727 848442709 /nfs/dbraw/zinc/44/27/09/848442709.db2.gz RIIZDMOIZTZULA-CQSZACIVSA-N 0 3 374.507 -0.531 20 0 FBADHN C[C@H](CNC(=O)CCC[C@@]1(C)NC(=O)NC1=O)CN1CCN(C)CC1 ZINC001319310860 848445485 /nfs/dbraw/zinc/44/54/85/848445485.db2.gz JIHUAFYBWDKBLW-CXAGYDPISA-N 0 3 353.467 -0.246 20 0 FBADHN C[C@H](CNC(=O)CCC[C@]1(C)NC(=O)NC1=O)CN1CCN(C)CC1 ZINC001319310861 848445527 /nfs/dbraw/zinc/44/55/27/848445527.db2.gz JIHUAFYBWDKBLW-DYVFJYSZSA-N 0 3 353.467 -0.246 20 0 FBADHN C[C@@H](CNC(=O)CCC[C@]1(C)NC(=O)NC1=O)CN1CCN(C)CC1 ZINC001319310862 848445672 /nfs/dbraw/zinc/44/56/72/848445672.db2.gz JIHUAFYBWDKBLW-GUYCJALGSA-N 0 3 353.467 -0.246 20 0 FBADHN C[C@@H](CNC(=O)CCC[C@@]1(C)NC(=O)NC1=O)CN1CCN(C)CC1 ZINC001319310863 848445630 /nfs/dbraw/zinc/44/56/30/848445630.db2.gz JIHUAFYBWDKBLW-SUMWQHHRSA-N 0 3 353.467 -0.246 20 0 FBADHN NC(=O)N1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC001319324356 848446183 /nfs/dbraw/zinc/44/61/83/848446183.db2.gz KXFIFSIHNHIIMT-UHFFFAOYSA-N 0 3 369.447 -0.251 20 0 FBADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CNC1(CO)CCOCC1 ZINC001319327250 848446611 /nfs/dbraw/zinc/44/66/11/848446611.db2.gz WFXTYXAJDRHMCV-UHFFFAOYSA-N 0 3 369.443 -0.646 20 0 FBADHN C[C@H](Cn1cccn1)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001319329146 848447114 /nfs/dbraw/zinc/44/71/14/848447114.db2.gz WTAYQMRAUIEJNX-CABCVRRESA-N 0 3 369.491 -0.808 20 0 FBADHN C[C@@H](Cn1cccn1)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001319329147 848447419 /nfs/dbraw/zinc/44/74/19/848447419.db2.gz WTAYQMRAUIEJNX-GJZGRUSLSA-N 0 3 369.491 -0.808 20 0 FBADHN C[C@H](Cn1cccn1)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319329148 848447392 /nfs/dbraw/zinc/44/73/92/848447392.db2.gz WTAYQMRAUIEJNX-HUUCEWRRSA-N 0 3 369.491 -0.808 20 0 FBADHN C[C@@H](Cn1cccn1)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319329149 848447565 /nfs/dbraw/zinc/44/75/65/848447565.db2.gz WTAYQMRAUIEJNX-LSDHHAIUSA-N 0 3 369.491 -0.808 20 0 FBADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C2CCOCC2)CC1 ZINC001319334444 848447310 /nfs/dbraw/zinc/44/73/10/848447310.db2.gz UEVPZZZOEZQGEH-CABCVRRESA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C2CCOCC2)CC1 ZINC001319334445 848447465 /nfs/dbraw/zinc/44/74/65/848447465.db2.gz UEVPZZZOEZQGEH-GJZGRUSLSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C2CCOCC2)CC1 ZINC001319334446 848447376 /nfs/dbraw/zinc/44/73/76/848447376.db2.gz UEVPZZZOEZQGEH-HUUCEWRRSA-N 0 3 352.479 -0.105 20 0 FBADHN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C2CCOCC2)CC1 ZINC001319334447 848447555 /nfs/dbraw/zinc/44/75/55/848447555.db2.gz UEVPZZZOEZQGEH-LSDHHAIUSA-N 0 3 352.479 -0.105 20 0 FBADHN CS(=O)(=O)CCNC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCC1 ZINC001319374552 848451318 /nfs/dbraw/zinc/45/13/18/848451318.db2.gz LBLCCWGVNGGGSP-NWDGAFQWSA-N 0 3 361.464 -0.918 20 0 FBADHN Cn1nncc1CNC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCC1 ZINC001319374853 848451476 /nfs/dbraw/zinc/45/14/76/848451476.db2.gz NOCPQWWKJFCBGJ-QWHCGFSZSA-N 0 3 350.423 -0.633 20 0 FBADHN CCCNC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCC1 ZINC001319374977 848451096 /nfs/dbraw/zinc/45/10/96/848451096.db2.gz PPTFTPKGUJKGHZ-QWHCGFSZSA-N 0 3 354.451 -0.436 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 ZINC001319395012 848453613 /nfs/dbraw/zinc/45/36/13/848453613.db2.gz RKLNBLDXJWVPBF-GFCCVEGCSA-N 0 3 371.463 -0.647 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 ZINC001319395013 848453604 /nfs/dbraw/zinc/45/36/04/848453604.db2.gz RKLNBLDXJWVPBF-LBPRGKRZSA-N 0 3 371.463 -0.647 20 0 FBADHN NS(=O)(=O)c1ccc(CCNC(=O)CNC2(CO)CCOCC2)cc1 ZINC001319417437 848456588 /nfs/dbraw/zinc/45/65/88/848456588.db2.gz OKYIAUIOGOBQGY-UHFFFAOYSA-N 0 3 371.459 -0.876 20 0 FBADHN COCCNC(=O)C1CCN(CCc2cn(CC(=O)OC)nn2)CC1 ZINC001319432869 848457246 /nfs/dbraw/zinc/45/72/46/848457246.db2.gz LJHKQYGZXUSSNR-UHFFFAOYSA-N 0 3 353.423 -0.532 20 0 FBADHN Cc1nn(C)c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1C ZINC001319445174 848458964 /nfs/dbraw/zinc/45/89/64/848458964.db2.gz YQAOSEYQBWQUPU-GFCCVEGCSA-N 0 3 350.467 -0.025 20 0 FBADHN Cc1nn(C)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1C ZINC001319445175 848459088 /nfs/dbraw/zinc/45/90/88/848459088.db2.gz YQAOSEYQBWQUPU-LBPRGKRZSA-N 0 3 350.467 -0.025 20 0 FBADHN C[C@@H](CNCC(=O)N1CCNC(=O)C1)N(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001319500305 848463179 /nfs/dbraw/zinc/46/31/79/848463179.db2.gz YEJJMAUPPDHCKX-QEJZJMRPSA-N 0 3 350.463 -0.183 20 0 FBADHN C[C@H](CNCC(=O)N1CCNC(=O)C1)N(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001319500324 848463192 /nfs/dbraw/zinc/46/31/92/848463192.db2.gz YEJJMAUPPDHCKX-SNPRPXQTSA-N 0 3 350.463 -0.183 20 0 FBADHN CN(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001319521841 848466553 /nfs/dbraw/zinc/46/65/53/848466553.db2.gz MZCMDNGMSPQZAN-CHWSQXEVSA-N 0 3 368.525 -0.729 20 0 FBADHN CN(C)[C@H]1CCCC[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001319521842 848466520 /nfs/dbraw/zinc/46/65/20/848466520.db2.gz MZCMDNGMSPQZAN-OLZOCXBDSA-N 0 3 368.525 -0.729 20 0 FBADHN CN(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001319521843 848466531 /nfs/dbraw/zinc/46/65/31/848466531.db2.gz MZCMDNGMSPQZAN-QWHCGFSZSA-N 0 3 368.525 -0.729 20 0 FBADHN CN(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001319521844 848466401 /nfs/dbraw/zinc/46/64/01/848466401.db2.gz MZCMDNGMSPQZAN-STQMWFEESA-N 0 3 368.525 -0.729 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001319521971 848466499 /nfs/dbraw/zinc/46/64/99/848466499.db2.gz PQIDCCWLGKDLEU-AWEZNQCLSA-N 0 3 357.476 -0.053 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001319521972 848466435 /nfs/dbraw/zinc/46/64/35/848466435.db2.gz PQIDCCWLGKDLEU-CQSZACIVSA-N 0 3 357.476 -0.053 20 0 FBADHN C[C@H](CNCC(=O)NCC(F)(F)F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319527161 848467200 /nfs/dbraw/zinc/46/72/00/848467200.db2.gz GHOFHGTYASYADR-KXUCPTDWSA-N 0 3 368.356 -0.866 20 0 FBADHN C[C@@H](CNCC(=O)NCC(F)(F)F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319527166 848467579 /nfs/dbraw/zinc/46/75/79/848467579.db2.gz GHOFHGTYASYADR-LPEHRKFASA-N 0 3 368.356 -0.866 20 0 FBADHN CC(=O)N1CCC(NC(=O)CN2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC001319534232 848467185 /nfs/dbraw/zinc/46/71/85/848467185.db2.gz FUGARZYGMPJZNO-INIZCTEOSA-N 0 3 352.479 -0.232 20 0 FBADHN CC(=O)N1CCC(NC(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC001319534235 848467624 /nfs/dbraw/zinc/46/76/24/848467624.db2.gz FUGARZYGMPJZNO-MRXNPFEDSA-N 0 3 352.479 -0.232 20 0 FBADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001319534564 848467568 /nfs/dbraw/zinc/46/75/68/848467568.db2.gz QKVOCSNPQCSRPP-KGYLQXTDSA-N 0 3 350.423 -0.584 20 0 FBADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001319534565 848467682 /nfs/dbraw/zinc/46/76/82/848467682.db2.gz QKVOCSNPQCSRPP-WCFLWFBJSA-N 0 3 350.423 -0.584 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001319536552 848468488 /nfs/dbraw/zinc/46/84/88/848468488.db2.gz MGAJZFGBNZGVFD-GFCCVEGCSA-N 0 3 371.463 -0.533 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001319536554 848468446 /nfs/dbraw/zinc/46/84/46/848468446.db2.gz MGAJZFGBNZGVFD-LBPRGKRZSA-N 0 3 371.463 -0.533 20 0 FBADHN CCN1CCN([C@@H](C)CNC(=O)CCC(=O)N2CCC(O)CC2)CC1 ZINC001319625731 848476313 /nfs/dbraw/zinc/47/63/13/848476313.db2.gz BPAWKPYDFLMBOU-HNNXBMFYSA-N 0 3 354.495 -0.108 20 0 FBADHN CCN1CCN([C@H](C)CNC(=O)CCC(=O)N2CCC(O)CC2)CC1 ZINC001319625732 848475949 /nfs/dbraw/zinc/47/59/49/848475949.db2.gz BPAWKPYDFLMBOU-OAHLLOKOSA-N 0 3 354.495 -0.108 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CCC(=O)N1CCC(O)CC1 ZINC001319626339 848476050 /nfs/dbraw/zinc/47/60/50/848476050.db2.gz ILMOQQKWSWOACL-UHFFFAOYSA-N 0 3 354.495 -0.154 20 0 FBADHN CC(C)C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319634508 848477118 /nfs/dbraw/zinc/47/71/18/848477118.db2.gz PZARWUZLWYXJOM-HZSPNIEDSA-N 0 3 354.451 -0.628 20 0 FBADHN CC(C)C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319634509 848476871 /nfs/dbraw/zinc/47/68/71/848476871.db2.gz PZARWUZLWYXJOM-MELADBBJSA-N 0 3 354.451 -0.628 20 0 FBADHN C[C@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319714010 848483058 /nfs/dbraw/zinc/48/30/58/848483058.db2.gz AIZMURMJWFXLBU-KBPBESRZSA-N 0 3 361.512 -0.797 20 0 FBADHN C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319714011 848482932 /nfs/dbraw/zinc/48/29/32/848482932.db2.gz AIZMURMJWFXLBU-KGLIPLIRSA-N 0 3 361.512 -0.797 20 0 FBADHN C[C@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC001319714012 848483012 /nfs/dbraw/zinc/48/30/12/848483012.db2.gz AIZMURMJWFXLBU-UONOGXRCSA-N 0 3 361.512 -0.797 20 0 FBADHN C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC001319714013 848482982 /nfs/dbraw/zinc/48/29/82/848482982.db2.gz AIZMURMJWFXLBU-ZIAGYGMSSA-N 0 3 361.512 -0.797 20 0 FBADHN COC(=O)C1(O)CCN(CCCN2CCC(O)(C(=O)OC)CC2)CC1 ZINC001319722801 848483722 /nfs/dbraw/zinc/48/37/22/848483722.db2.gz ACKYRMMMPHLBFK-UHFFFAOYSA-N 0 3 358.435 -0.624 20 0 FBADHN NC(=O)N[C@@H](CO)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001319730982 848484785 /nfs/dbraw/zinc/48/47/85/848484785.db2.gz ZOBADWRJJDRHHD-HNNXBMFYSA-N 0 3 350.419 -0.711 20 0 FBADHN NC(=O)N[C@H](CO)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001319730984 848484667 /nfs/dbraw/zinc/48/46/67/848484667.db2.gz ZOBADWRJJDRHHD-OAHLLOKOSA-N 0 3 350.419 -0.711 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001319760037 848486958 /nfs/dbraw/zinc/48/69/58/848486958.db2.gz IRVQBIKQHBOSFX-UHFFFAOYSA-N 0 3 352.391 -0.660 20 0 FBADHN COC(=O)Cn1cc(CCN2CCC3(CC2)NC(=O)N(C)C3=O)nn1 ZINC001319773543 848488405 /nfs/dbraw/zinc/48/84/05/848488405.db2.gz HCNJSGYHBKMTRU-UHFFFAOYSA-N 0 3 350.379 -0.990 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1C ZINC001319783535 848488077 /nfs/dbraw/zinc/48/80/77/848488077.db2.gz DACDJJJZZVKZDY-GFCCVEGCSA-N 0 3 350.423 -0.523 20 0 FBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1C ZINC001319783536 848487942 /nfs/dbraw/zinc/48/79/42/848487942.db2.gz DACDJJJZZVKZDY-LBPRGKRZSA-N 0 3 350.423 -0.523 20 0 FBADHN CCn1c(C2CCN(C(=O)Cc3[nH]c(O)nc3O)CC2)n[nH]c1=S ZINC001319830824 848491710 /nfs/dbraw/zinc/49/17/10/848491710.db2.gz QLSDXMDBQUSEJW-VIFPVBQESA-N 0 3 352.420 -0.109 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)Cn2cc([C@@H](C)O)nn2)CC1 ZINC001319885331 848494284 /nfs/dbraw/zinc/49/42/84/848494284.db2.gz RNVXDRQNJYNSTF-GFCCVEGCSA-N 0 3 353.423 -0.277 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)Cn2cc([C@H](C)O)nn2)CC1 ZINC001319885333 848494429 /nfs/dbraw/zinc/49/44/29/848494429.db2.gz RNVXDRQNJYNSTF-LBPRGKRZSA-N 0 3 353.423 -0.277 20 0 FBADHN COc1ncncc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001319933200 848499249 /nfs/dbraw/zinc/49/92/49/848499249.db2.gz XGDZCIQGVCUTNW-GFCCVEGCSA-N 0 3 350.423 -0.577 20 0 FBADHN COc1ncncc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001319933201 848498983 /nfs/dbraw/zinc/49/89/83/848498983.db2.gz XGDZCIQGVCUTNW-LBPRGKRZSA-N 0 3 350.423 -0.577 20 0 FBADHN C[C@H](NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C1=CCN(C)CC1 ZINC001319952562 848500535 /nfs/dbraw/zinc/50/05/35/848500535.db2.gz JWJHIKFKHJKJMQ-GXTWGEPZSA-N 0 3 372.491 -0.371 20 0 FBADHN C[C@H](NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C1=CCN(C)CC1 ZINC001319952563 848500597 /nfs/dbraw/zinc/50/05/97/848500597.db2.gz JWJHIKFKHJKJMQ-JSGCOSHPSA-N 0 3 372.491 -0.371 20 0 FBADHN C[C@@H](NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C1=CCN(C)CC1 ZINC001319952564 848500285 /nfs/dbraw/zinc/50/02/85/848500285.db2.gz JWJHIKFKHJKJMQ-OCCSQVGLSA-N 0 3 372.491 -0.371 20 0 FBADHN C[C@@H](NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C1=CCN(C)CC1 ZINC001319952565 848500114 /nfs/dbraw/zinc/50/01/14/848500114.db2.gz JWJHIKFKHJKJMQ-TZMCWYRMSA-N 0 3 372.491 -0.371 20 0 FBADHN CN1CCN(CCCNC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC001319987290 848502952 /nfs/dbraw/zinc/50/29/52/848502952.db2.gz ICLDCINSJDDUHC-UHFFFAOYSA-N 0 3 358.508 -0.668 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/nfs/dbraw/zinc/73/47/75/848734775.db2.gz RVJREIDGCPHLKR-LBPRGKRZSA-N 0 3 360.405 -0.041 20 0 FBADHN CCn1cc(CCN(C)C[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001322244698 848735017 /nfs/dbraw/zinc/73/50/17/848735017.db2.gz OYVNFSZJWFCCLE-AEGPPILISA-N 0 3 351.451 -0.085 20 0 FBADHN CCn1cc(CCN(C)C[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001322244699 848734713 /nfs/dbraw/zinc/73/47/13/848734713.db2.gz OYVNFSZJWFCCLE-VHDGCEQUSA-N 0 3 351.451 -0.085 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCSCC2)CC1 ZINC001322250950 848735677 /nfs/dbraw/zinc/73/56/77/848735677.db2.gz MPAQIOKWCMGTRG-AWEZNQCLSA-N 0 3 368.503 -0.237 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCSCC2)CC1 ZINC001322250951 848735650 /nfs/dbraw/zinc/73/56/50/848735650.db2.gz MPAQIOKWCMGTRG-CQSZACIVSA-N 0 3 368.503 -0.237 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCc1nccs1)CN1CCN(C)CC1 ZINC001322253330 848736861 /nfs/dbraw/zinc/73/68/61/848736861.db2.gz OONBDPVEBPIIDP-CYBMUJFWSA-N 0 3 353.492 -0.199 20 0 FBADHN 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/nfs/dbraw/zinc/74/46/67/848744667.db2.gz IGXQVESCIDKZRE-CQSZACIVSA-N 0 3 350.463 -0.038 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1CS(=O)(=O)C1 ZINC001322397338 848744623 /nfs/dbraw/zinc/74/46/23/848744623.db2.gz MWLVNMCIECKBES-CHWSQXEVSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1CS(=O)(=O)C1 ZINC001322397341 848744871 /nfs/dbraw/zinc/74/48/71/848744871.db2.gz MWLVNMCIECKBES-OLZOCXBDSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1CS(=O)(=O)C1 ZINC001322397343 848744730 /nfs/dbraw/zinc/74/47/30/848744730.db2.gz MWLVNMCIECKBES-QWHCGFSZSA-N 0 3 359.492 -0.226 20 0 FBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1CS(=O)(=O)C1 ZINC001322397344 848744428 /nfs/dbraw/zinc/74/44/28/848744428.db2.gz MWLVNMCIECKBES-STQMWFEESA-N 0 3 359.492 -0.226 20 0 FBADHN CN(CCNC(=O)C(=O)NCCNC(=O)c1ccccc1F)C1CC1 ZINC001322397579 848744967 /nfs/dbraw/zinc/74/49/67/848744967.db2.gz MVICPJUEKBIXML-UHFFFAOYSA-N 0 3 350.394 -0.118 20 0 FBADHN 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/nfs/dbraw/zinc/74/71/76/848747176.db2.gz RGMIZIBFONASGL-NEPJUHHUSA-N 0 3 358.464 -0.784 20 0 FBADHN O=C(CCNC(=O)N[C@H]1CCN(C2CC2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC001322433661 848747139 /nfs/dbraw/zinc/74/71/39/848747139.db2.gz RGMIZIBFONASGL-NWDGAFQWSA-N 0 3 358.464 -0.784 20 0 FBADHN O=C(CCNC(=O)N[C@H]1CCN(C2CC2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC001322433666 848747111 /nfs/dbraw/zinc/74/71/11/848747111.db2.gz RGMIZIBFONASGL-RYUDHWBXSA-N 0 3 358.464 -0.784 20 0 FBADHN O=C(CCNC(=O)N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC001322433667 848747130 /nfs/dbraw/zinc/74/71/30/848747130.db2.gz RGMIZIBFONASGL-VXGBXAGGSA-N 0 3 358.464 -0.784 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC001322439518 848748105 /nfs/dbraw/zinc/74/81/05/848748105.db2.gz OQGGURBTYQVGSZ-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC001322439519 848748288 /nfs/dbraw/zinc/74/82/88/848748288.db2.gz OQGGURBTYQVGSZ-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CS(=O)(=O)NCC1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC001322439601 848748043 /nfs/dbraw/zinc/74/80/43/848748043.db2.gz BRFVAVBEGOTJQR-AWEZNQCLSA-N 0 3 350.481 -0.196 20 0 FBADHN CS(=O)(=O)NCC1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC001322439602 848748084 /nfs/dbraw/zinc/74/80/84/848748084.db2.gz BRFVAVBEGOTJQR-CQSZACIVSA-N 0 3 350.481 -0.196 20 0 FBADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC001322448788 848749150 /nfs/dbraw/zinc/74/91/50/848749150.db2.gz DGFJVLGCMZYWLI-UHFFFAOYSA-N 0 3 358.393 -0.160 20 0 FBADHN COCCn1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC001322449948 848748934 /nfs/dbraw/zinc/74/89/34/848748934.db2.gz PDULOTJOMHGVAL-CHWSQXEVSA-N 0 3 351.407 -0.553 20 0 FBADHN COCCn1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC001322449949 848748917 /nfs/dbraw/zinc/74/89/17/848748917.db2.gz PDULOTJOMHGVAL-OLZOCXBDSA-N 0 3 351.407 -0.553 20 0 FBADHN COCCn1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC001322449950 848749025 /nfs/dbraw/zinc/74/90/25/848749025.db2.gz PDULOTJOMHGVAL-QWHCGFSZSA-N 0 3 351.407 -0.553 20 0 FBADHN COCCn1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC001322449951 848748958 /nfs/dbraw/zinc/74/89/58/848748958.db2.gz PDULOTJOMHGVAL-STQMWFEESA-N 0 3 351.407 -0.553 20 0 FBADHN Cc1noc(CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC001322464682 848750176 /nfs/dbraw/zinc/75/01/76/848750176.db2.gz ATAWWKSFXHYWHW-CHWSQXEVSA-N 0 3 351.407 -0.594 20 0 FBADHN Cc1noc(CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC001322464683 848749943 /nfs/dbraw/zinc/74/99/43/848749943.db2.gz ATAWWKSFXHYWHW-OLZOCXBDSA-N 0 3 351.407 -0.594 20 0 FBADHN Cc1noc(CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC001322464684 848749921 /nfs/dbraw/zinc/74/99/21/848749921.db2.gz ATAWWKSFXHYWHW-QWHCGFSZSA-N 0 3 351.407 -0.594 20 0 FBADHN Cc1noc(CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC001322464685 848749655 /nfs/dbraw/zinc/74/96/55/848749655.db2.gz ATAWWKSFXHYWHW-STQMWFEESA-N 0 3 351.407 -0.594 20 0 FBADHN CCS(=O)(=O)N1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC001322491494 848753256 /nfs/dbraw/zinc/75/32/56/848753256.db2.gz HMKZYOITEXSVGU-UHFFFAOYSA-N 0 3 360.480 -0.873 20 0 FBADHN CCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC001322492903 848752849 /nfs/dbraw/zinc/75/28/49/848752849.db2.gz STHYRNOHQKMHNI-UHFFFAOYSA-N 0 3 374.507 -0.529 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1)N1CCC[C@H](C)C1 ZINC001322527546 848756811 /nfs/dbraw/zinc/75/68/11/848756811.db2.gz CJXPCBHRDUABJM-FEPKRQSRSA-N 0 3 374.507 -0.581 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001322527547 848756744 /nfs/dbraw/zinc/75/67/44/848756744.db2.gz CJXPCBHRDUABJM-IWMBGFJWSA-N 0 3 374.507 -0.581 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001322527548 848756789 /nfs/dbraw/zinc/75/67/89/848756789.db2.gz CJXPCBHRDUABJM-KBHBFKLGSA-N 0 3 374.507 -0.581 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1)N1CCC[C@H](C)C1 ZINC001322527549 848756958 /nfs/dbraw/zinc/75/69/58/848756958.db2.gz CJXPCBHRDUABJM-MRFVTOPCSA-N 0 3 374.507 -0.581 20 0 FBADHN CS(=O)(=O)CCCCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001322568761 848764068 /nfs/dbraw/zinc/76/40/68/848764068.db2.gz ITTGXXDHZQDGIL-AWEZNQCLSA-N 0 3 359.492 -0.082 20 0 FBADHN CS(=O)(=O)CCCCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001322568762 848762946 /nfs/dbraw/zinc/76/29/46/848762946.db2.gz ITTGXXDHZQDGIL-CQSZACIVSA-N 0 3 359.492 -0.082 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001322569823 848764006 /nfs/dbraw/zinc/76/40/06/848764006.db2.gz QIDIDSSDEOMCDY-MCIONIFRSA-N 0 3 350.419 -0.456 20 0 FBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001322569824 848764054 /nfs/dbraw/zinc/76/40/54/848764054.db2.gz QIDIDSSDEOMCDY-RDBSUJKOSA-N 0 3 350.419 -0.456 20 0 FBADHN COC(=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 ZINC001322570869 848763693 /nfs/dbraw/zinc/76/36/93/848763693.db2.gz YGAHMWOVUHYBAA-KBPBESRZSA-N 0 3 353.419 -0.623 20 0 FBADHN 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/nfs/dbraw/zinc/76/54/76/848765476.db2.gz OAWRBXLSMXWREF-WXRRBKDZSA-N 0 3 374.507 -0.581 20 0 FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001322583217 848765267 /nfs/dbraw/zinc/76/52/67/848765267.db2.gz YOUCWTWZRXDKME-PQAZSJQKSA-N 0 3 372.491 -0.732 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC001322585485 848766257 /nfs/dbraw/zinc/76/62/57/848766257.db2.gz OCVQWTBQOSJVLD-GFCCVEGCSA-N 0 3 360.480 -0.803 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001322585486 848766535 /nfs/dbraw/zinc/76/65/35/848766535.db2.gz OCVQWTBQOSJVLD-LBPRGKRZSA-N 0 3 360.480 -0.803 20 0 FBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC(O)(C(F)F)CC1 ZINC001322597341 848767967 /nfs/dbraw/zinc/76/79/67/848767967.db2.gz FQWPGIMAHXRDNC-NEPJUHHUSA-N 0 3 361.389 -0.416 20 0 FBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC(O)(C(F)F)CC1 ZINC001322597342 848768382 /nfs/dbraw/zinc/76/83/82/848768382.db2.gz FQWPGIMAHXRDNC-NWDGAFQWSA-N 0 3 361.389 -0.416 20 0 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CN1CCN(CCNC(=O)C(=O)NCc2ncccc2F)CC1(C)C ZINC001322908910 848820204 /nfs/dbraw/zinc/82/02/04/848820204.db2.gz PICLABFIFKEOOI-UHFFFAOYSA-N 0 3 351.426 -0.021 20 0 FBADHN Cc1nc(N2CCS(=O)(=O)CC2)cc(N2CCS(=O)(=O)CC2)n1 ZINC001322911143 848820072 /nfs/dbraw/zinc/82/00/72/848820072.db2.gz ZNVLLTMZKXUJNU-UHFFFAOYSA-N 0 3 360.461 -0.745 20 0 FBADHN COCCOC[C@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001322934639 848823585 /nfs/dbraw/zinc/82/35/85/848823585.db2.gz NULFUXZQSARIIF-AWEZNQCLSA-N 0 3 358.483 -0.704 20 0 FBADHN COCCOC[C@@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001322934641 848823451 /nfs/dbraw/zinc/82/34/51/848823451.db2.gz NULFUXZQSARIIF-CQSZACIVSA-N 0 3 358.483 -0.704 20 0 FBADHN CC(C)OC(=O)CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC001322937173 848823606 /nfs/dbraw/zinc/82/36/06/848823606.db2.gz BMVMZJKFXPYXPH-UHFFFAOYSA-N 0 3 356.467 -0.460 20 0 FBADHN Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001322942873 848825681 /nfs/dbraw/zinc/82/56/81/848825681.db2.gz PIIVDJYLPDKUIZ-DZGCQCFKSA-N 0 3 350.467 -0.694 20 0 FBADHN Cc1nccn1C[C@H](C)CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001322942874 848825825 /nfs/dbraw/zinc/82/58/25/848825825.db2.gz PIIVDJYLPDKUIZ-HIFRSBDPSA-N 0 3 350.467 -0.694 20 0 FBADHN Cc1nccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001322942875 848825581 /nfs/dbraw/zinc/82/55/81/848825581.db2.gz PIIVDJYLPDKUIZ-UKRRQHHQSA-N 0 3 350.467 -0.694 20 0 FBADHN Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001322942876 848825194 /nfs/dbraw/zinc/82/51/94/848825194.db2.gz PIIVDJYLPDKUIZ-ZFWWWQNUSA-N 0 3 350.467 -0.694 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C1=CCN(C)CC1 ZINC001322942933 848825853 /nfs/dbraw/zinc/82/58/53/848825853.db2.gz QLFVXOCLJUKZSQ-LLVKDONJSA-N 0 3 360.480 -0.803 20 0 FBADHN C[C@H](NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C1=CCN(C)CC1 ZINC001322942934 848825356 /nfs/dbraw/zinc/82/53/56/848825356.db2.gz QLFVXOCLJUKZSQ-NSHDSACASA-N 0 3 360.480 -0.803 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001322942944 848825645 /nfs/dbraw/zinc/82/56/45/848825645.db2.gz QXGBUHWUKVURAB-UHFFFAOYSA-N 0 3 350.485 -0.771 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC2(C)C)CC1 ZINC001323001176 848832851 /nfs/dbraw/zinc/83/28/51/848832851.db2.gz ZUDVCFOWJHMJDT-KBPBESRZSA-N 0 3 350.463 -0.086 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC2(C)C)CC1 ZINC001323001177 848833266 /nfs/dbraw/zinc/83/32/66/848833266.db2.gz ZUDVCFOWJHMJDT-KGLIPLIRSA-N 0 3 350.463 -0.086 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC2(C)C)CC1 ZINC001323001178 848833232 /nfs/dbraw/zinc/83/32/32/848833232.db2.gz ZUDVCFOWJHMJDT-UONOGXRCSA-N 0 3 350.463 -0.086 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC2(C)C)CC1 ZINC001323001179 848832728 /nfs/dbraw/zinc/83/27/28/848832728.db2.gz ZUDVCFOWJHMJDT-ZIAGYGMSSA-N 0 3 350.463 -0.086 20 0 FBADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCc1nnn(C)n1 ZINC001323004043 848834068 /nfs/dbraw/zinc/83/40/68/848834068.db2.gz GXBRCCRATWSISD-UHFFFAOYSA-N 0 3 351.436 -0.522 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCc1cscn1 ZINC001323007928 848835323 /nfs/dbraw/zinc/83/53/23/848835323.db2.gz VNKCGTIMFFTHCZ-UHFFFAOYSA-N 0 3 353.492 -0.102 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC001323033517 848839682 /nfs/dbraw/zinc/83/96/82/848839682.db2.gz HDRBNEDFSHOXIW-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC001323033518 848839866 /nfs/dbraw/zinc/83/98/66/848839866.db2.gz HDRBNEDFSHOXIW-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC001323033639 848839590 /nfs/dbraw/zinc/83/95/90/848839590.db2.gz HQZSLBCSXBLFIQ-KBPBESRZSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC001323033641 848839847 /nfs/dbraw/zinc/83/98/47/848839847.db2.gz HQZSLBCSXBLFIQ-KGLIPLIRSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC001323033643 848839778 /nfs/dbraw/zinc/83/97/78/848839778.db2.gz HQZSLBCSXBLFIQ-UONOGXRCSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC001323033645 848839513 /nfs/dbraw/zinc/83/95/13/848839513.db2.gz HQZSLBCSXBLFIQ-ZIAGYGMSSA-N 0 3 353.467 -0.103 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001323060270 848843905 /nfs/dbraw/zinc/84/39/05/848843905.db2.gz YWKGXNVZOSSQIN-AWEZNQCLSA-N 0 3 374.507 -0.483 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001323060271 848843512 /nfs/dbraw/zinc/84/35/12/848843512.db2.gz YWKGXNVZOSSQIN-CQSZACIVSA-N 0 3 374.507 -0.483 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001323064191 848843930 /nfs/dbraw/zinc/84/39/30/848843930.db2.gz PUTLVDDMGJGRES-ILXRZTDVSA-N 0 3 350.463 -0.005 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001323064192 848844026 /nfs/dbraw/zinc/84/40/26/848844026.db2.gz PUTLVDDMGJGRES-QLFBSQMISA-N 0 3 350.463 -0.005 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCCC2)C2CC2)O1 ZINC001323066584 848844854 /nfs/dbraw/zinc/84/48/54/848844854.db2.gz YWGBULOEGPYJPF-HZSPNIEDSA-N 0 3 352.435 -0.874 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CNCC(=O)N2CCCC2)C2CC2)O1 ZINC001323066586 848844510 /nfs/dbraw/zinc/84/45/10/848844510.db2.gz YWGBULOEGPYJPF-MELADBBJSA-N 0 3 352.435 -0.874 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](CNCC(=O)N1CCCCCC1)C1CC1 ZINC001323066588 848844775 /nfs/dbraw/zinc/84/47/75/848844775.db2.gz YXFWONCOVZFGFR-ILXRZTDVSA-N 0 3 350.463 -0.005 20 0 FBADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](CNCC(=O)N1CCCCCC1)C1CC1 ZINC001323066589 848844870 /nfs/dbraw/zinc/84/48/70/848844870.db2.gz YXFWONCOVZFGFR-QLFBSQMISA-N 0 3 350.463 -0.005 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001323074343 848845639 /nfs/dbraw/zinc/84/56/39/848845639.db2.gz PQCWLPWNYCCJRT-HNNXBMFYSA-N 0 3 356.467 -0.602 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001323074344 848845863 /nfs/dbraw/zinc/84/58/63/848845863.db2.gz PQCWLPWNYCCJRT-OAHLLOKOSA-N 0 3 356.467 -0.602 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCCN(C(=O)OC)CC1 ZINC001323074487 848845599 /nfs/dbraw/zinc/84/55/99/848845599.db2.gz QHXJNUKLYVCECZ-UHFFFAOYSA-N 0 3 358.439 -0.628 20 0 FBADHN O=C(CNC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1)N1CCOCC1 ZINC001323077231 848845735 /nfs/dbraw/zinc/84/57/35/848845735.db2.gz MMUXJFOZNDGLJZ-FPCVCCKLSA-N 0 3 351.447 -0.103 20 0 FBADHN O=C(CNC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1)N1CCOCC1 ZINC001323077232 848846760 /nfs/dbraw/zinc/84/67/60/848846760.db2.gz MMUXJFOZNDGLJZ-WCVJEAGWSA-N 0 3 351.447 -0.103 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCOC(F)(F)F ZINC001323087707 848847477 /nfs/dbraw/zinc/84/74/77/848847477.db2.gz NAYGTIRUYPLTTK-UHFFFAOYSA-N 0 3 354.373 -0.265 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCOCCS(C)(=O)=O ZINC001323109204 848849405 /nfs/dbraw/zinc/84/94/05/848849405.db2.gz LECAXHICFWHGBM-CYBMUJFWSA-N 0 3 363.480 -0.846 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCOCCS(C)(=O)=O ZINC001323109205 848849367 /nfs/dbraw/zinc/84/93/67/848849367.db2.gz LECAXHICFWHGBM-ZDUSSCGKSA-N 0 3 363.480 -0.846 20 0 FBADHN CN(C)C(=O)CCCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001323120469 848851102 /nfs/dbraw/zinc/85/11/02/848851102.db2.gz IZJFEVCAIUCCAV-UHFFFAOYSA-N 0 3 355.483 -0.887 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001323122330 848851474 /nfs/dbraw/zinc/85/14/74/848851474.db2.gz HYCRKDRLHBGRMG-GFCCVEGCSA-N 0 3 362.496 -0.579 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001323122332 848851775 /nfs/dbraw/zinc/85/17/75/848851775.db2.gz HYCRKDRLHBGRMG-LBPRGKRZSA-N 0 3 362.496 -0.579 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)C1 ZINC001323123347 848851322 /nfs/dbraw/zinc/85/13/22/848851322.db2.gz NMUCNPVIXNUFCW-AWEZNQCLSA-N 0 3 350.463 -0.037 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)C1 ZINC001323123348 848851462 /nfs/dbraw/zinc/85/14/62/848851462.db2.gz NMUCNPVIXNUFCW-CQSZACIVSA-N 0 3 350.463 -0.037 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC3(COC(=O)N3)CC2)C1 ZINC001323123860 848851712 /nfs/dbraw/zinc/85/17/12/848851712.db2.gz NRUKGXOISFRWBV-CYBMUJFWSA-N 0 3 352.435 -0.065 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC3(COC(=O)N3)CC2)C1 ZINC001323123861 848851236 /nfs/dbraw/zinc/85/12/36/848851236.db2.gz NRUKGXOISFRWBV-ZDUSSCGKSA-N 0 3 352.435 -0.065 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001323124333 848851417 /nfs/dbraw/zinc/85/14/17/848851417.db2.gz QVLKNOFUMBGHMR-KBPBESRZSA-N 0 3 374.507 -0.531 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001323124336 848851601 /nfs/dbraw/zinc/85/16/01/848851601.db2.gz QVLKNOFUMBGHMR-KGLIPLIRSA-N 0 3 374.507 -0.531 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC001323129534 848852217 /nfs/dbraw/zinc/85/22/17/848852217.db2.gz SFNJPJJNWIOOTI-AWEZNQCLSA-N 0 3 354.451 -0.706 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC001323129536 848852662 /nfs/dbraw/zinc/85/26/62/848852662.db2.gz SFNJPJJNWIOOTI-CQSZACIVSA-N 0 3 354.451 -0.706 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)Cc1nncn1C ZINC001323135849 848853382 /nfs/dbraw/zinc/85/33/82/848853382.db2.gz ANUOCAKYJVFHCA-CYBMUJFWSA-N 0 3 351.455 -0.101 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)Cc1nncn1C ZINC001323135852 848853324 /nfs/dbraw/zinc/85/33/24/848853324.db2.gz ANUOCAKYJVFHCA-ZDUSSCGKSA-N 0 3 351.455 -0.101 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@](C)(CO)C2)CC1 ZINC001323146897 848854565 /nfs/dbraw/zinc/85/45/65/848854565.db2.gz MIUXDKAKIWWJOS-GOSISDBHSA-N 0 3 354.495 -0.249 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@](C)(CO)C2)CC1 ZINC001323146898 848854337 /nfs/dbraw/zinc/85/43/37/848854337.db2.gz MIUXDKAKIWWJOS-SFHVURJKSA-N 0 3 354.495 -0.249 20 0 FBADHN COC(=O)C1CCN(CCCNC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001323153062 848855267 /nfs/dbraw/zinc/85/52/67/848855267.db2.gz 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ZINC001323332675 848880440 /nfs/dbraw/zinc/88/04/40/848880440.db2.gz OCMDAANPHOMSQK-MAUKXSAKSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@](O)(CC)C2)CC1 ZINC001323332677 848880507 /nfs/dbraw/zinc/88/05/07/848880507.db2.gz OCMDAANPHOMSQK-QAPCUYQASA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@](O)(CC)C2)CC1 ZINC001323332679 848880346 /nfs/dbraw/zinc/88/03/46/848880346.db2.gz OCMDAANPHOMSQK-YJBOKZPZSA-N 0 3 354.495 -0.250 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ncoc2C)CC1 ZINC001323332756 848880605 /nfs/dbraw/zinc/88/06/05/848880605.db2.gz PIOUBZDYFNDZTC-CYBMUJFWSA-N 0 3 351.451 -0.011 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ncoc2C)CC1 ZINC001323332760 848880307 /nfs/dbraw/zinc/88/03/07/848880307.db2.gz PIOUBZDYFNDZTC-ZDUSSCGKSA-N 0 3 351.451 -0.011 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC([C@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC001323334093 848880561 /nfs/dbraw/zinc/88/05/61/848880561.db2.gz UEIRDRKTPJIQKX-CABCVRRESA-N 0 3 352.479 -0.519 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CC([C@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC001323334094 848880428 /nfs/dbraw/zinc/88/04/28/848880428.db2.gz UEIRDRKTPJIQKX-GJZGRUSLSA-N 0 3 352.479 -0.519 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC([C@@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC001323334095 848880754 /nfs/dbraw/zinc/88/07/54/848880754.db2.gz UEIRDRKTPJIQKX-HUUCEWRRSA-N 0 3 352.479 -0.519 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CC([C@@H]2CCOC2)C1)CN1CCN(C)CC1 ZINC001323334096 848880883 /nfs/dbraw/zinc/88/08/83/848880883.db2.gz UEIRDRKTPJIQKX-LSDHHAIUSA-N 0 3 352.479 -0.519 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCc1ccn(C)n1)CN1CCN(C)CC1 ZINC001323334232 848880496 /nfs/dbraw/zinc/88/04/96/848880496.db2.gz VOCFBDQJEZOMDT-AWEZNQCLSA-N 0 3 350.467 -0.922 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCc1ccn(C)n1)CN1CCN(C)CC1 ZINC001323334234 848880404 /nfs/dbraw/zinc/88/04/04/848880404.db2.gz VOCFBDQJEZOMDT-CQSZACIVSA-N 0 3 350.467 -0.922 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CC[C@](O)(C2CC2)C1)CN1CCN(C)CC1 ZINC001323334894 848881595 /nfs/dbraw/zinc/88/15/95/848881595.db2.gz YCQOEVUTKOSSNE-KBXCAEBGSA-N 0 3 352.479 -0.641 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)CN1CCN(C)CC1 ZINC001323334896 848881386 /nfs/dbraw/zinc/88/13/86/848881386.db2.gz YCQOEVUTKOSSNE-KDOFPFPSSA-N 0 3 352.479 -0.641 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)CN1CCN(C)CC1 ZINC001323334897 848881722 /nfs/dbraw/zinc/88/17/22/848881722.db2.gz YCQOEVUTKOSSNE-KSSFIOAISA-N 0 3 352.479 -0.641 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CC[C@](O)(C2CC2)C1)CN1CCN(C)CC1 ZINC001323334898 848881484 /nfs/dbraw/zinc/88/14/84/848881484.db2.gz YCQOEVUTKOSSNE-RDTXWAMCSA-N 0 3 352.479 -0.641 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCCC1CCOCC1)CN1CCN(C)CC1 ZINC001323335633 848881555 /nfs/dbraw/zinc/88/15/55/848881555.db2.gz ZQZHALCUZVDWDT-HNNXBMFYSA-N 0 3 354.495 -0.081 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCCC1CCOCC1)CN1CCN(C)CC1 ZINC001323335635 848881800 /nfs/dbraw/zinc/88/18/00/848881800.db2.gz ZQZHALCUZVDWDT-OAHLLOKOSA-N 0 3 354.495 -0.081 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001323367372 848885137 /nfs/dbraw/zinc/88/51/37/848885137.db2.gz XWQTXCSKYPYYFL-CYBMUJFWSA-N 0 3 354.451 -0.802 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001323367374 848884909 /nfs/dbraw/zinc/88/49/09/848884909.db2.gz XWQTXCSKYPYYFL-ZDUSSCGKSA-N 0 3 354.451 -0.802 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCO1 ZINC001323368466 848885184 /nfs/dbraw/zinc/88/51/84/848885184.db2.gz GEORCBHJBMPMLM-GDBMZVCRSA-N 0 3 355.483 -0.584 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCO1 ZINC001323368468 848884929 /nfs/dbraw/zinc/88/49/29/848884929.db2.gz GEORCBHJBMPMLM-GOEBONIOSA-N 0 3 355.483 -0.584 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCO1 ZINC001323368470 848884992 /nfs/dbraw/zinc/88/49/92/848884992.db2.gz GEORCBHJBMPMLM-HOCLYGCPSA-N 0 3 355.483 -0.584 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCO1 ZINC001323368472 848885199 /nfs/dbraw/zinc/88/51/99/848885199.db2.gz GEORCBHJBMPMLM-ZBFHGGJFSA-N 0 3 355.483 -0.584 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC001323384333 848888507 /nfs/dbraw/zinc/88/85/07/848888507.db2.gz XOGUVCQDTNLCCX-UHFFFAOYSA-N 0 3 363.480 -0.894 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001323404583 848890068 /nfs/dbraw/zinc/89/00/68/848890068.db2.gz DEDCDQONPJEXBY-HNNXBMFYSA-N 0 3 360.524 -0.198 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001323404584 848890826 /nfs/dbraw/zinc/89/08/26/848890826.db2.gz DEDCDQONPJEXBY-OAHLLOKOSA-N 0 3 360.524 -0.198 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC1CCS(=O)(=O)CC1)N1CCCCC1 ZINC001323421282 848893450 /nfs/dbraw/zinc/89/34/50/848893450.db2.gz JATFUYPAKHJSOO-CYBMUJFWSA-N 0 3 359.492 -0.082 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC1CCS(=O)(=O)CC1)N1CCCCC1 ZINC001323421283 848893752 /nfs/dbraw/zinc/89/37/52/848893752.db2.gz JATFUYPAKHJSOO-ZDUSSCGKSA-N 0 3 359.492 -0.082 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC001323432911 848896799 /nfs/dbraw/zinc/89/67/99/848896799.db2.gz HXLODDQGXAIDNY-CYBMUJFWSA-N 0 3 362.496 -0.577 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC001323432913 848896761 /nfs/dbraw/zinc/89/67/61/848896761.db2.gz HXLODDQGXAIDNY-ZDUSSCGKSA-N 0 3 362.496 -0.577 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001323432938 848896633 /nfs/dbraw/zinc/89/66/33/848896633.db2.gz ICRLYWHKPSMWFY-JXQTWKCFSA-N 0 3 374.507 -0.437 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001323432942 848896824 /nfs/dbraw/zinc/89/68/24/848896824.db2.gz ICRLYWHKPSMWFY-RUXDESIVSA-N 0 3 374.507 -0.437 20 0 FBADHN O=C(NCCN1C(=O)CCC1=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC001323452069 848899141 /nfs/dbraw/zinc/89/91/41/848899141.db2.gz KDQVJKQSEAVXBG-CYBMUJFWSA-N 0 3 350.419 -0.662 20 0 FBADHN O=C(NCCN1C(=O)CCC1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC001323452070 848900289 /nfs/dbraw/zinc/90/02/89/848900289.db2.gz KDQVJKQSEAVXBG-ZDUSSCGKSA-N 0 3 350.419 -0.662 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N(C)[C@@H](CO)COC(C)C)CC1 ZINC001323463444 848901504 /nfs/dbraw/zinc/90/15/04/848901504.db2.gz DVNMDQKTFDFZFG-HNNXBMFYSA-N 0 3 359.467 -0.542 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N(C)[C@H](CO)COC(C)C)CC1 ZINC001323463445 848901785 /nfs/dbraw/zinc/90/17/85/848901785.db2.gz DVNMDQKTFDFZFG-OAHLLOKOSA-N 0 3 359.467 -0.542 20 0 FBADHN CN(C)S(=O)(=O)c1cnn(CN2CCN(C3CCOCC3)CC2)c1 ZINC001323485810 848904222 /nfs/dbraw/zinc/90/42/22/848904222.db2.gz ODYRCMBCDKRVEF-UHFFFAOYSA-N 0 3 357.480 -0.113 20 0 FBADHN C[C@H](CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)N1CCCCC1 ZINC001323486757 848904851 /nfs/dbraw/zinc/90/48/51/848904851.db2.gz NOBCHHKGQOGIEK-CYBMUJFWSA-N 0 3 359.492 -0.082 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)N1CCCCC1 ZINC001323486758 848905060 /nfs/dbraw/zinc/90/50/60/848905060.db2.gz NOBCHHKGQOGIEK-ZDUSSCGKSA-N 0 3 359.492 -0.082 20 0 FBADHN CN(CCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)s1)C1CC1 ZINC001323487296 848905091 /nfs/dbraw/zinc/90/50/91/848905091.db2.gz FDEVYIYDCDQHNM-UHFFFAOYSA-N 0 3 360.461 -0.778 20 0 FBADHN CCS(=O)(=O)NCCNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001323493362 848905031 /nfs/dbraw/zinc/90/50/31/848905031.db2.gz CEQMEGWHEYUGAX-BJJPWKGXSA-N 0 3 357.476 -0.413 20 0 FBADHN CN(CCNC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1)C1CC1 ZINC001323500014 848905483 /nfs/dbraw/zinc/90/54/83/848905483.db2.gz GFQQUOVIYUDKIO-UHFFFAOYSA-N 0 3 360.480 -0.921 20 0 FBADHN CN(CCNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001323500071 848905619 /nfs/dbraw/zinc/90/56/19/848905619.db2.gz HAZOWNKAMZJGDE-JTQLQIEISA-N 0 3 364.368 -0.276 20 0 FBADHN CN(CCNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001323500072 848905705 /nfs/dbraw/zinc/90/57/05/848905705.db2.gz HAZOWNKAMZJGDE-SNVBAGLBSA-N 0 3 364.368 -0.276 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC001323513372 848908409 /nfs/dbraw/zinc/90/84/09/848908409.db2.gz OXNGHWYRLFSYHK-LBPRGKRZSA-N 0 3 356.467 -0.415 20 0 FBADHN C[C@H](CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323515589 848908511 /nfs/dbraw/zinc/90/85/11/848908511.db2.gz YITDDQLLCFKDDH-CABCVRRESA-N 0 3 360.524 -0.895 20 0 FBADHN C[C@@H](CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323515590 848908260 /nfs/dbraw/zinc/90/82/60/848908260.db2.gz YITDDQLLCFKDDH-GJZGRUSLSA-N 0 3 360.524 -0.895 20 0 FBADHN C[C@H](CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323515591 848908212 /nfs/dbraw/zinc/90/82/12/848908212.db2.gz YITDDQLLCFKDDH-HUUCEWRRSA-N 0 3 360.524 -0.895 20 0 FBADHN C[C@@H](CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323515592 848908379 /nfs/dbraw/zinc/90/83/79/848908379.db2.gz YITDDQLLCFKDDH-LSDHHAIUSA-N 0 3 360.524 -0.895 20 0 FBADHN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC001323545615 848913532 /nfs/dbraw/zinc/91/35/32/848913532.db2.gz KXBVCMCXBKHMJF-FMKPAKJESA-N 0 3 352.479 -0.106 20 0 FBADHN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC001323545617 848913288 /nfs/dbraw/zinc/91/32/88/848913288.db2.gz KXBVCMCXBKHMJF-IIAWOOMASA-N 0 3 352.479 -0.106 20 0 FBADHN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC001323545619 848913643 /nfs/dbraw/zinc/91/36/43/848913643.db2.gz KXBVCMCXBKHMJF-IJEWVQPXSA-N 0 3 352.479 -0.106 20 0 FBADHN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC001323545621 848913610 /nfs/dbraw/zinc/91/36/10/848913610.db2.gz KXBVCMCXBKHMJF-YCPHGPKFSA-N 0 3 352.479 -0.106 20 0 FBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccoc1CC(N)=O ZINC001323546123 848913485 /nfs/dbraw/zinc/91/34/85/848913485.db2.gz NRMWMIDISMPVFX-CYBMUJFWSA-N 0 3 350.419 -0.020 20 0 FBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccoc1CC(N)=O ZINC001323546128 848913221 /nfs/dbraw/zinc/91/32/21/848913221.db2.gz NRMWMIDISMPVFX-ZDUSSCGKSA-N 0 3 350.419 -0.020 20 0 FBADHN Cn1cc([C@@H]2C[C@H]2C(=O)NCC2(NCCNS(C)(=O)=O)CC2)cn1 ZINC001323555632 848915031 /nfs/dbraw/zinc/91/50/31/848915031.db2.gz BYHDOZZDAOKOFZ-QWHCGFSZSA-N 0 3 355.464 -0.689 20 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353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC001324244633 849012862 /nfs/dbraw/zinc/01/28/62/849012862.db2.gz BIMNCZOHXGCLJC-KGLIPLIRSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC001324244634 849012577 /nfs/dbraw/zinc/01/25/77/849012577.db2.gz BIMNCZOHXGCLJC-UONOGXRCSA-N 0 3 353.467 -0.103 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC001324244635 849012990 /nfs/dbraw/zinc/01/29/90/849012990.db2.gz BIMNCZOHXGCLJC-ZIAGYGMSSA-N 0 3 353.467 -0.103 20 0 FBADHN CN1CC(=O)N(CCCC(=O)NCCCCN2CCN(C)CC2)C1=O ZINC001324255985 849014710 /nfs/dbraw/zinc/01/47/10/849014710.db2.gz RZWFPQWOLOPNMX-UHFFFAOYSA-N 0 3 353.467 -0.196 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001324299250 849019538 /nfs/dbraw/zinc/01/95/38/849019538.db2.gz SLOFEGJNBQPWEN-CYBMUJFWSA-N 0 3 359.492 -0.082 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001324299252 849019803 /nfs/dbraw/zinc/01/98/03/849019803.db2.gz SLOFEGJNBQPWEN-ZDUSSCGKSA-N 0 3 359.492 -0.082 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001324303686 849021566 /nfs/dbraw/zinc/02/15/66/849021566.db2.gz MCHORUZOXFVRFO-AGIUHOORSA-N 0 3 354.451 -0.628 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001324303687 849021666 /nfs/dbraw/zinc/02/16/66/849021666.db2.gz MCHORUZOXFVRFO-AVGNSLFASA-N 0 3 354.451 -0.628 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001324303688 849021550 /nfs/dbraw/zinc/02/15/50/849021550.db2.gz MCHORUZOXFVRFO-UPJWGTAASA-N 0 3 354.451 -0.628 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001324303689 849021954 /nfs/dbraw/zinc/02/19/54/849021954.db2.gz MCHORUZOXFVRFO-XQQFMLRXSA-N 0 3 354.451 -0.628 20 0 FBADHN CN(C)CCn1nccc1NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001324327021 849025037 /nfs/dbraw/zinc/02/50/37/849025037.db2.gz QFNRWIUVSAPMJH-UHFFFAOYSA-N 0 3 355.424 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CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001324374639 849030802 /nfs/dbraw/zinc/03/08/02/849030802.db2.gz LFRQHGSLHDRVFD-HOTGVXAUSA-N 0 3 350.463 -0.038 20 0 FBADHN CC(=O)N1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001324374640 849031050 /nfs/dbraw/zinc/03/10/50/849031050.db2.gz LFRQHGSLHDRVFD-HZPDHXFCSA-N 0 3 350.463 -0.038 20 0 FBADHN CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001324374642 849030772 /nfs/dbraw/zinc/03/07/72/849030772.db2.gz LFRQHGSLHDRVFD-JKSUJKDBSA-N 0 3 350.463 -0.038 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001324396808 849035129 /nfs/dbraw/zinc/03/51/29/849035129.db2.gz PNDMOPPBYTZNBI-GFCCVEGCSA-N 0 3 350.423 -0.754 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001324396810 849035010 /nfs/dbraw/zinc/03/50/10/849035010.db2.gz PNDMOPPBYTZNBI-LBPRGKRZSA-N 0 3 350.423 -0.754 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)C1=CCN(C)CC1 ZINC001324402194 849036071 /nfs/dbraw/zinc/03/60/71/849036071.db2.gz BODRMSDDJMMZOM-GFCCVEGCSA-N 0 3 357.476 -0.306 20 0 FBADHN C[C@H](NC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)C1=CCN(C)CC1 ZINC001324402195 849035874 /nfs/dbraw/zinc/03/58/74/849035874.db2.gz BODRMSDDJMMZOM-LBPRGKRZSA-N 0 3 357.476 -0.306 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N(C)CCN2CCCC2)O1 ZINC001324402461 849036154 /nfs/dbraw/zinc/03/61/54/849036154.db2.gz FJKRLQQSTCFXER-KBPBESRZSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N(C)CCN2CCCC2)O1 ZINC001324402462 849036177 /nfs/dbraw/zinc/03/61/77/849036177.db2.gz FJKRLQQSTCFXER-KGLIPLIRSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N(C)CCN2CCCC2)O1 ZINC001324402463 849036189 /nfs/dbraw/zinc/03/61/89/849036189.db2.gz FJKRLQQSTCFXER-UONOGXRCSA-N 0 3 354.451 -0.707 20 0 FBADHN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N(C)CCN2CCCC2)O1 ZINC001324402464 849035912 /nfs/dbraw/zinc/03/59/12/849035912.db2.gz FJKRLQQSTCFXER-ZIAGYGMSSA-N 0 3 354.451 -0.707 20 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/nfs/dbraw/zinc/03/97/30/849039730.db2.gz JPHHSAMBODZCCV-JSGCOSHPSA-N 0 3 350.419 -0.194 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1)C1=CCN(C)CC1 ZINC001324424967 849039356 /nfs/dbraw/zinc/03/93/56/849039356.db2.gz JPHHSAMBODZCCV-OCCSQVGLSA-N 0 3 350.419 -0.194 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1)C1=CCN(C)CC1 ZINC001324424968 849039607 /nfs/dbraw/zinc/03/96/07/849039607.db2.gz JPHHSAMBODZCCV-TZMCWYRMSA-N 0 3 350.419 -0.194 20 0 FBADHN C[C@@H](NC(=O)C(=O)N(C)CC(=O)N1CCOCC1)C1=CCN(C)CC1 ZINC001324425761 849039654 /nfs/dbraw/zinc/03/96/54/849039654.db2.gz PCOGSGVMXMNZML-CYBMUJFWSA-N 0 3 352.435 -0.930 20 0 FBADHN C[C@H](NC(=O)C(=O)N(C)CC(=O)N1CCOCC1)C1=CCN(C)CC1 ZINC001324425763 849039768 /nfs/dbraw/zinc/03/97/68/849039768.db2.gz PCOGSGVMXMNZML-ZDUSSCGKSA-N 0 3 352.435 -0.930 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CCO1 ZINC001324426733 849039581 /nfs/dbraw/zinc/03/95/81/849039581.db2.gz QWYGRFFOHQVWBV-DOMZBBRYSA-N 0 3 352.435 -0.884 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CCO1 ZINC001324426735 849039492 /nfs/dbraw/zinc/03/94/92/849039492.db2.gz QWYGRFFOHQVWBV-IUODEOHRSA-N 0 3 352.435 -0.884 20 0 FBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CCO1 ZINC001324426737 849039515 /nfs/dbraw/zinc/03/95/15/849039515.db2.gz QWYGRFFOHQVWBV-SWLSCSKDSA-N 0 3 352.435 -0.884 20 0 FBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CCO1 ZINC001324426738 849039631 /nfs/dbraw/zinc/03/96/31/849039631.db2.gz QWYGRFFOHQVWBV-WFASDCNBSA-N 0 3 352.435 -0.884 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC001324446110 849042072 /nfs/dbraw/zinc/04/20/72/849042072.db2.gz IPEOQAREHSFQAC-ACJLOTCBSA-N 0 3 353.463 -0.167 20 0 FBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC001324446113 849041921 /nfs/dbraw/zinc/04/19/21/849041921.db2.gz IPEOQAREHSFQAC-SCLBCKFNSA-N 0 3 353.463 -0.167 20 0 FBADHN CO[C@]1(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCOC1 ZINC001324454360 849043450 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CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001324488818 849046915 /nfs/dbraw/zinc/04/69/15/849046915.db2.gz LWKLXJAXVDMRDQ-LBPRGKRZSA-N 0 3 362.496 -0.722 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001324528247 849051821 /nfs/dbraw/zinc/05/18/21/849051821.db2.gz LVWUJICETNAWAW-CHWSQXEVSA-N 0 3 374.507 -0.627 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001324528248 849051569 /nfs/dbraw/zinc/05/15/69/849051569.db2.gz LVWUJICETNAWAW-OLZOCXBDSA-N 0 3 374.507 -0.627 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001324528249 849051341 /nfs/dbraw/zinc/05/13/41/849051341.db2.gz LVWUJICETNAWAW-QWHCGFSZSA-N 0 3 374.507 -0.627 20 0 FBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001324528250 849051689 /nfs/dbraw/zinc/05/16/89/849051689.db2.gz LVWUJICETNAWAW-STQMWFEESA-N 0 3 374.507 -0.627 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC001324535493 849052310 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FBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC(F)(F)C2)CC1 ZINC001324751584 849071913 /nfs/dbraw/zinc/07/19/13/849071913.db2.gz LDFJAXSHMNBBNC-UHFFFAOYSA-N 0 3 358.389 -0.333 20 0 FBADHN CNC(=O)CCCN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001324767146 849073784 /nfs/dbraw/zinc/07/37/84/849073784.db2.gz IYWPAAONDNEVBY-UHFFFAOYSA-N 0 3 355.483 -0.887 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ncn(C)n1 ZINC001324767282 849073704 /nfs/dbraw/zinc/07/37/04/849073704.db2.gz KYQZBIIVQNSACE-GFCCVEGCSA-N 0 3 351.455 -0.866 20 0 FBADHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ncn(C)n1 ZINC001324767284 849073658 /nfs/dbraw/zinc/07/36/58/849073658.db2.gz KYQZBIIVQNSACE-LBPRGKRZSA-N 0 3 351.455 -0.866 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)CC1(C)C ZINC001324767809 849073933 /nfs/dbraw/zinc/07/39/33/849073933.db2.gz NLNKSGKITWNTJV-GFCCVEGCSA-N 0 3 362.421 -0.643 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)CC1(C)C ZINC001324767810 849073848 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COC(C)(C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001324827934 849077658 /nfs/dbraw/zinc/07/76/58/849077658.db2.gz KVTLXSCLNCVKMR-UHFFFAOYSA-N 0 3 354.451 -0.706 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001324854604 849080257 /nfs/dbraw/zinc/08/02/57/849080257.db2.gz WRADHTVFICOVKO-GXTWGEPZSA-N 0 3 374.507 -0.627 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001324854606 849080297 /nfs/dbraw/zinc/08/02/97/849080297.db2.gz WRADHTVFICOVKO-JSGCOSHPSA-N 0 3 374.507 -0.627 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001324854608 849080494 /nfs/dbraw/zinc/08/04/94/849080494.db2.gz WRADHTVFICOVKO-OCCSQVGLSA-N 0 3 374.507 -0.627 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001324854610 849080655 /nfs/dbraw/zinc/08/06/55/849080655.db2.gz WRADHTVFICOVKO-TZMCWYRMSA-N 0 3 374.507 -0.627 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CCN1S(C)(=O)=O ZINC001324863130 849081713 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/nfs/dbraw/zinc/37/19/38/849371938.db2.gz YTDASAOXYYGMTG-KGLIPLIRSA-N 0 3 357.480 -0.489 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCCNS(C)(=O)=O)cn1 ZINC001327092229 849371971 /nfs/dbraw/zinc/37/19/71/849371971.db2.gz YTDASAOXYYGMTG-UONOGXRCSA-N 0 3 357.480 -0.489 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCCNS(C)(=O)=O)cn1 ZINC001327092230 849372045 /nfs/dbraw/zinc/37/20/45/849372045.db2.gz YTDASAOXYYGMTG-ZIAGYGMSSA-N 0 3 357.480 -0.489 20 0 FBADHN NS(=O)(=O)Cc1cccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC001327103218 849373899 /nfs/dbraw/zinc/37/38/99/849373899.db2.gz IQGNHTDFRLAWOK-CABCVRRESA-N 0 3 353.444 -0.244 20 0 FBADHN NS(=O)(=O)Cc1cccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC001327103223 849373836 /nfs/dbraw/zinc/37/38/36/849373836.db2.gz IQGNHTDFRLAWOK-GJZGRUSLSA-N 0 3 353.444 -0.244 20 0 FBADHN NS(=O)(=O)Cc1cccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC001327103225 849373792 /nfs/dbraw/zinc/37/37/92/849373792.db2.gz IQGNHTDFRLAWOK-HUUCEWRRSA-N 0 3 353.444 -0.244 20 0 FBADHN NS(=O)(=O)Cc1cccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC001327103228 849374376 /nfs/dbraw/zinc/37/43/76/849374376.db2.gz IQGNHTDFRLAWOK-LSDHHAIUSA-N 0 3 353.444 -0.244 20 0 FBADHN C[C@@H](NC(=O)c1ccc2c(c1)CNC2)C(=O)N1CCS(=O)(=O)CC1 ZINC001327106488 849374031 /nfs/dbraw/zinc/37/40/31/849374031.db2.gz CLUHNMIYAMQBSY-LLVKDONJSA-N 0 3 351.428 -0.335 20 0 FBADHN C[C@H](NC(=O)c1ccc2c(c1)CNC2)C(=O)N1CCS(=O)(=O)CC1 ZINC001327106490 849373997 /nfs/dbraw/zinc/37/39/97/849373997.db2.gz CLUHNMIYAMQBSY-NSHDSACASA-N 0 3 351.428 -0.335 20 0 FBADHN O=C(C[C@H]1CNCCO1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC001327121737 849375296 /nfs/dbraw/zinc/37/52/96/849375296.db2.gz QDGAPFYPAJZKST-CABCVRRESA-N 0 3 353.444 -0.024 20 0 FBADHN O=C(C[C@H]1CNCCO1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC001327121738 849375157 /nfs/dbraw/zinc/37/51/57/849375157.db2.gz QDGAPFYPAJZKST-GJZGRUSLSA-N 0 3 353.444 -0.024 20 0 FBADHN O=C(C[C@@H]1CNCCO1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC001327121739 849374645 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FBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC001327180914 849380377 /nfs/dbraw/zinc/38/03/77/849380377.db2.gz BREQYYYBQLZUEP-RDBSUJKOSA-N 0 3 353.419 -0.528 20 0 FBADHN O=S(=O)(c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)nc1)N1CCOCC1 ZINC001327195877 849381957 /nfs/dbraw/zinc/38/19/57/849381957.db2.gz UYLCFFUNIVRQGW-UONOGXRCSA-N 0 3 368.459 -0.642 20 0 FBADHN COC(=O)[C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)Cc1ccncc1 ZINC001327196558 849382381 /nfs/dbraw/zinc/38/23/81/849382381.db2.gz QXLXZPSOWZXKMK-HIFRSBDPSA-N 0 3 350.419 -0.371 20 0 FBADHN COC(=O)[C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)Cc1ccncc1 ZINC001327196559 849381864 /nfs/dbraw/zinc/38/18/64/849381864.db2.gz QXLXZPSOWZXKMK-ZFWWWQNUSA-N 0 3 350.419 -0.371 20 0 FBADHN O=C(C(=O)N1CCN2C(=O)OCC[C@H]2C1)N1CC[C@H](N2CCCC2)C1 ZINC001327217124 849384839 /nfs/dbraw/zinc/38/48/39/849384839.db2.gz CSXKMYALRNRIRG-KBPBESRZSA-N 0 3 350.419 -0.264 20 0 FBADHN O=C(C(=O)N1CCN2C(=O)OCC[C@H]2C1)N1CC[C@@H](N2CCCC2)C1 ZINC001327217125 849384947 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CS[C@@H]1CN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C[C@@H]1N(C)C ZINC001327235208 849387971 /nfs/dbraw/zinc/38/79/71/849387971.db2.gz QNLKORMMSQLARU-NWDGAFQWSA-N 0 3 353.448 -0.157 20 0 FBADHN CS[C@H]1CN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C[C@@H]1N(C)C ZINC001327235211 849387952 /nfs/dbraw/zinc/38/79/52/849387952.db2.gz QNLKORMMSQLARU-RYUDHWBXSA-N 0 3 353.448 -0.157 20 0 FBADHN CS[C@@H]1CN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C[C@H]1N(C)C ZINC001327235214 849388127 /nfs/dbraw/zinc/38/81/27/849388127.db2.gz QNLKORMMSQLARU-VXGBXAGGSA-N 0 3 353.448 -0.157 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@H]1CCOC1 ZINC001327243564 849390005 /nfs/dbraw/zinc/39/00/05/849390005.db2.gz OOGCXNXQJXUBLX-AEGPPILISA-N 0 3 373.479 -0.245 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@@H]1CCOC1 ZINC001327243567 849390184 /nfs/dbraw/zinc/39/01/84/849390184.db2.gz OOGCXNXQJXUBLX-BPLDGKMQSA-N 0 3 373.479 -0.245 20 0 FBADHN CO[C@H](CS(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@H]1CCOC1 ZINC001327243569 849389910 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CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001327262130 849393439 /nfs/dbraw/zinc/39/34/39/849393439.db2.gz RFAAPAXMQVVQJD-KGLIPLIRSA-N 0 3 351.451 -0.493 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001327262131 849393500 /nfs/dbraw/zinc/39/35/00/849393500.db2.gz RFAAPAXMQVVQJD-UONOGXRCSA-N 0 3 351.451 -0.493 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001327262132 849393368 /nfs/dbraw/zinc/39/33/68/849393368.db2.gz RFAAPAXMQVVQJD-ZIAGYGMSSA-N 0 3 351.451 -0.493 20 0 FBADHN CCN1CCN(CCNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001327274612 849395372 /nfs/dbraw/zinc/39/53/72/849395372.db2.gz JMFQRGJRKPQHGG-AWEZNQCLSA-N 0 3 367.537 -0.632 20 0 FBADHN CCN1CCN(CCNS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001327274613 849395007 /nfs/dbraw/zinc/39/50/07/849395007.db2.gz JMFQRGJRKPQHGG-CQSZACIVSA-N 0 3 367.537 -0.632 20 0 FBADHN COc1cncc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)n1 ZINC001327292480 849398417 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C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@]1(C)CO ZINC001327346970 849407045 /nfs/dbraw/zinc/40/70/45/849407045.db2.gz XSVKHRANBGYMBY-MAUKXSAKSA-N 0 3 354.495 -0.441 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@@]1(C)CO ZINC001327346975 849406803 /nfs/dbraw/zinc/40/68/03/849406803.db2.gz XSVKHRANBGYMBY-QAPCUYQASA-N 0 3 354.495 -0.441 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@@]1(C)CO ZINC001327346977 849406897 /nfs/dbraw/zinc/40/68/97/849406897.db2.gz XSVKHRANBGYMBY-YJBOKZPZSA-N 0 3 354.495 -0.441 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CCN1S(C)(=O)=O ZINC001327352593 849407744 /nfs/dbraw/zinc/40/77/44/849407744.db2.gz KLELMHCQROJEFP-GFCCVEGCSA-N 0 3 360.480 -0.969 20 0 FBADHN COCC1=CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC001327358659 849409202 /nfs/dbraw/zinc/40/92/02/849409202.db2.gz CTDAIWSJZYMQBD-UHFFFAOYSA-N 0 3 352.435 -0.976 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC3(F)F)C2)CC1=O ZINC001327369662 849411012 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/nfs/dbraw/zinc/41/98/33/849419833.db2.gz ISGVXNIPIQXKJE-BJDJZHNGSA-N 0 3 357.407 -0.996 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C[C@H](C)O1 ZINC001327406846 849419942 /nfs/dbraw/zinc/41/99/42/849419942.db2.gz ISGVXNIPIQXKJE-QCNOEVLYSA-N 0 3 357.407 -0.996 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@H](C)O1 ZINC001327406847 849419659 /nfs/dbraw/zinc/41/96/59/849419659.db2.gz ISGVXNIPIQXKJE-USZNOCQGSA-N 0 3 357.407 -0.996 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C[C@H](C)O1 ZINC001327406849 849420210 /nfs/dbraw/zinc/42/02/10/849420210.db2.gz ISGVXNIPIQXKJE-YFKTTZPYSA-N 0 3 357.407 -0.996 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCCOCC(F)(F)F)CC1 ZINC001327417328 849422326 /nfs/dbraw/zinc/42/23/26/849422326.db2.gz GHDCIMSNEULVOX-UHFFFAOYSA-N 0 3 355.357 -0.092 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C1=CCN(C)CC1 ZINC001327417758 849422549 /nfs/dbraw/zinc/42/25/49/849422549.db2.gz BCNXPNUSLBLEMY-GXTWGEPZSA-N 0 3 357.476 -0.164 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C1=CCN(C)CC1 ZINC001327417759 849422093 /nfs/dbraw/zinc/42/20/93/849422093.db2.gz BCNXPNUSLBLEMY-JSGCOSHPSA-N 0 3 357.476 -0.164 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C1=CCN(C)CC1 ZINC001327417760 849422072 /nfs/dbraw/zinc/42/20/72/849422072.db2.gz BCNXPNUSLBLEMY-OCCSQVGLSA-N 0 3 357.476 -0.164 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C1=CCN(C)CC1 ZINC001327417761 849422526 /nfs/dbraw/zinc/42/25/26/849422526.db2.gz BCNXPNUSLBLEMY-TZMCWYRMSA-N 0 3 357.476 -0.164 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C1=CCN(C)CC1 ZINC001327417972 849422417 /nfs/dbraw/zinc/42/24/17/849422417.db2.gz DRBNFKOQLJYGHT-CHWSQXEVSA-N 0 3 351.451 -0.340 20 0 FBADHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C1=CCN(C)CC1 ZINC001327417974 849422481 /nfs/dbraw/zinc/42/24/81/849422481.db2.gz DRBNFKOQLJYGHT-OLZOCXBDSA-N 0 3 351.451 -0.340 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C1=CCN(C)CC1 ZINC001327417976 849422448 /nfs/dbraw/zinc/42/24/48/849422448.db2.gz DRBNFKOQLJYGHT-QWHCGFSZSA-N 0 3 351.451 -0.340 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C1=CCN(C)CC1 ZINC001327417978 849422425 /nfs/dbraw/zinc/42/24/25/849422425.db2.gz DRBNFKOQLJYGHT-STQMWFEESA-N 0 3 351.451 -0.340 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCN2CCCS2(=O)=O)cn1 ZINC001327420603 849423597 /nfs/dbraw/zinc/42/35/97/849423597.db2.gz DPGHOBXSGVTFDU-CABCVRRESA-N 0 3 369.491 -0.393 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCN2CCCS2(=O)=O)cn1 ZINC001327420604 849423865 /nfs/dbraw/zinc/42/38/65/849423865.db2.gz DPGHOBXSGVTFDU-GJZGRUSLSA-N 0 3 369.491 -0.393 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCN2CCCS2(=O)=O)cn1 ZINC001327420605 849423923 /nfs/dbraw/zinc/42/39/23/849423923.db2.gz DPGHOBXSGVTFDU-HUUCEWRRSA-N 0 3 369.491 -0.393 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCN2CCCS2(=O)=O)cn1 ZINC001327420606 849423764 /nfs/dbraw/zinc/42/37/64/849423764.db2.gz DPGHOBXSGVTFDU-LSDHHAIUSA-N 0 3 369.491 -0.393 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC001327425713 849425042 /nfs/dbraw/zinc/42/50/42/849425042.db2.gz WTKYHOFDUQYCRI-ILXRZTDVSA-N 0 3 369.491 -0.395 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC001327425715 849424600 /nfs/dbraw/zinc/42/46/00/849424600.db2.gz WTKYHOFDUQYCRI-KKUMJFAQSA-N 0 3 369.491 -0.395 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC001327425718 849424700 /nfs/dbraw/zinc/42/47/00/849424700.db2.gz WTKYHOFDUQYCRI-QLFBSQMISA-N 0 3 369.491 -0.395 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC001327425720 849425021 /nfs/dbraw/zinc/42/50/21/849425021.db2.gz WTKYHOFDUQYCRI-SOUVJXGZSA-N 0 3 369.491 -0.395 20 0 FBADHN CCN(C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC001327435347 849426633 /nfs/dbraw/zinc/42/66/33/849426633.db2.gz GELDPIVCYMUIQY-KGLIPLIRSA-N 0 3 374.507 -0.579 20 0 FBADHN CCN(C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[C@@H]1CCN(CC)C1 ZINC001327435351 849426594 /nfs/dbraw/zinc/42/65/94/849426594.db2.gz GELDPIVCYMUIQY-ZIAGYGMSSA-N 0 3 374.507 -0.579 20 0 FBADHN CCN(C(=O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1)[C@H]1CCN(CC)C1 ZINC001327436124 849426611 /nfs/dbraw/zinc/42/66/11/849426611.db2.gz ISHLEFHNJCUVTE-KBPBESRZSA-N 0 3 359.492 -0.178 20 0 FBADHN CCN(C(=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1)[C@H]1CCN(CC)C1 ZINC001327436125 849426648 /nfs/dbraw/zinc/42/66/48/849426648.db2.gz ISHLEFHNJCUVTE-KGLIPLIRSA-N 0 3 359.492 -0.178 20 0 FBADHN CCN(C(=O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1)[C@@H]1CCN(CC)C1 ZINC001327436126 849426678 /nfs/dbraw/zinc/42/66/78/849426678.db2.gz ISHLEFHNJCUVTE-UONOGXRCSA-N 0 3 359.492 -0.178 20 0 FBADHN CCN(C(=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1)[C@@H]1CCN(CC)C1 ZINC001327436127 849426654 /nfs/dbraw/zinc/42/66/54/849426654.db2.gz ISHLEFHNJCUVTE-ZIAGYGMSSA-N 0 3 359.492 -0.178 20 0 FBADHN CCN(C(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1)[C@H]1CCN(CC)C1 ZINC001327439946 849427239 /nfs/dbraw/zinc/42/72/39/849427239.db2.gz WHFRJRVGUHPGTP-KBPBESRZSA-N 0 3 355.435 -0.280 20 0 FBADHN CCN(C(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1)[C@@H]1CCN(CC)C1 ZINC001327439947 849427172 /nfs/dbraw/zinc/42/71/72/849427172.db2.gz WHFRJRVGUHPGTP-KGLIPLIRSA-N 0 3 355.435 -0.280 20 0 FBADHN CCN(C(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1)[C@H]1CCN(CC)C1 ZINC001327439948 849427454 /nfs/dbraw/zinc/42/74/54/849427454.db2.gz WHFRJRVGUHPGTP-UONOGXRCSA-N 0 3 355.435 -0.280 20 0 FBADHN CCN(C(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1)[C@@H]1CCN(CC)C1 ZINC001327439949 849427544 /nfs/dbraw/zinc/42/75/44/849427544.db2.gz WHFRJRVGUHPGTP-ZIAGYGMSSA-N 0 3 355.435 -0.280 20 0 FBADHN CS(=O)(=O)CCn1cccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)c1=O ZINC001327444075 849428140 /nfs/dbraw/zinc/42/81/40/849428140.db2.gz GWNWEURMEMIDKM-GHMZBOCLSA-N 0 3 360.411 -0.204 20 0 FBADHN COCC1(CCNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC001327469203 849432196 /nfs/dbraw/zinc/43/21/96/849432196.db2.gz SFIOSYGTYQNHIB-UHFFFAOYSA-N 0 3 354.451 -0.848 20 0 FBADHN COC1CCC(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001327470766 849432376 /nfs/dbraw/zinc/43/23/76/849432376.db2.gz FGSJZVIDUOSAOR-UHFFFAOYSA-N 0 3 351.407 -0.422 20 0 FBADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001327471048 849432065 /nfs/dbraw/zinc/43/20/65/849432065.db2.gz HJMILWYUNHWVDB-LLVKDONJSA-N 0 3 351.411 -0.462 20 0 FBADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001327471049 849432056 /nfs/dbraw/zinc/43/20/56/849432056.db2.gz HJMILWYUNHWVDB-NSHDSACASA-N 0 3 351.411 -0.462 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)CCCN1C(=O)CN(C)C1=O ZINC001327476228 849433109 /nfs/dbraw/zinc/43/31/09/849433109.db2.gz WXOJXOLOEKRYSB-UHFFFAOYSA-N 0 3 353.467 -0.244 20 0 FBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCC1CS(=O)(=O)C1 ZINC001327477476 849432790 /nfs/dbraw/zinc/43/27/90/849432790.db2.gz DTNJVBVOQMMZEB-UHFFFAOYSA-N 0 3 371.459 -0.279 20 0 FBADHN C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)[C@H](CN)C1 ZINC001327486422 849434707 /nfs/dbraw/zinc/43/47/07/849434707.db2.gz OJJFZDZQNDPDQU-ZJUUUORDSA-N 0 3 373.397 -0.335 20 0 FBADHN CCCCCOC1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001327498832 849436407 /nfs/dbraw/zinc/43/64/07/849436407.db2.gz LWEQVNFQOLVYOS-UHFFFAOYSA-N 0 3 351.407 -0.325 20 0 FBADHN CN(CCC1CCOCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001327501448 849437111 /nfs/dbraw/zinc/43/71/11/849437111.db2.gz ZDJUJUXBIOYIJH-UHFFFAOYSA-N 0 3 351.407 -0.468 20 0 FBADHN CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC001327502888 849438177 /nfs/dbraw/zinc/43/81/77/849438177.db2.gz MNRDCKJUAIBEJK-UHFFFAOYSA-N 0 3 362.496 -0.722 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001327505138 849438159 /nfs/dbraw/zinc/43/81/59/849438159.db2.gz ZPYZFWYCTKJPBN-HIFPTAJRSA-N 0 3 360.480 -0.827 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001327505143 849438197 /nfs/dbraw/zinc/43/81/97/849438197.db2.gz ZPYZFWYCTKJPBN-PNESKVBLSA-N 0 3 360.480 -0.827 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001327507619 849438795 /nfs/dbraw/zinc/43/87/95/849438795.db2.gz LSBHIHKDJQSISI-CHWSQXEVSA-N 0 3 360.480 -0.873 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001327507620 849439091 /nfs/dbraw/zinc/43/90/91/849439091.db2.gz LSBHIHKDJQSISI-OLZOCXBDSA-N 0 3 360.480 -0.873 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001327507621 849438601 /nfs/dbraw/zinc/43/86/01/849438601.db2.gz LSBHIHKDJQSISI-QWHCGFSZSA-N 0 3 360.480 -0.873 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001327507622 849438878 /nfs/dbraw/zinc/43/88/78/849438878.db2.gz LSBHIHKDJQSISI-STQMWFEESA-N 0 3 360.480 -0.873 20 0 FBADHN CCOC1CC(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001327510188 849438959 /nfs/dbraw/zinc/43/89/59/849438959.db2.gz MKXGPTDPKCTNFQ-UHFFFAOYSA-N 0 3 351.407 -0.422 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)NCc2cccc(F)n2)CC1=O ZINC001327524939 849440390 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FBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCCS(C)(=O)=O)CCSC1 ZINC001327554525 849444688 /nfs/dbraw/zinc/44/46/88/849444688.db2.gz BMEBLWUGLMVMOW-CYBMUJFWSA-N 0 3 351.494 -0.909 20 0 FBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCCS(C)(=O)=O)CCSC1 ZINC001327554529 849444700 /nfs/dbraw/zinc/44/47/00/849444700.db2.gz BMEBLWUGLMVMOW-ZDUSSCGKSA-N 0 3 351.494 -0.909 20 0 FBADHN CC(=O)NC1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC001327554644 849444655 /nfs/dbraw/zinc/44/46/55/849444655.db2.gz DCCNENOQNXVOCO-INIZCTEOSA-N 0 3 356.492 -0.333 20 0 FBADHN CC(=O)NC1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC001327554645 849444314 /nfs/dbraw/zinc/44/43/14/849444314.db2.gz DCCNENOQNXVOCO-MRXNPFEDSA-N 0 3 356.492 -0.333 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@@H]1C ZINC001327556306 849444835 /nfs/dbraw/zinc/44/48/35/849444835.db2.gz QDWLSSZTOWCQRQ-HSMVNMDESA-N 0 3 357.476 -0.050 20 0 FBADHN COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)[C@H]1C ZINC001327556307 849444531 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20 0 FBADHN CC(C)N1C[C@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1=O ZINC001327557503 849444562 /nfs/dbraw/zinc/44/45/62/849444562.db2.gz WWBKDLMNKCCONJ-WBMJQRKESA-N 0 3 356.492 -0.335 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001327563622 849446375 /nfs/dbraw/zinc/44/63/75/849446375.db2.gz VEAYYHJASJVWOC-CYBMUJFWSA-N 0 3 360.480 -0.921 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001327563624 849446256 /nfs/dbraw/zinc/44/62/56/849446256.db2.gz VEAYYHJASJVWOC-ZDUSSCGKSA-N 0 3 360.480 -0.921 20 0 FBADHN O=C(CN1CCC[C@H](N2CCOCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001327564813 849446447 /nfs/dbraw/zinc/44/64/47/849446447.db2.gz SPDVNRVSQHDQMO-CABCVRRESA-N 0 3 359.492 -0.524 20 0 FBADHN O=C(CN1CCC[C@H](N2CCOCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001327564815 849446339 /nfs/dbraw/zinc/44/63/39/849446339.db2.gz SPDVNRVSQHDQMO-GJZGRUSLSA-N 0 3 359.492 -0.524 20 0 FBADHN O=C(CN1CCC[C@@H](N2CCOCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001327564818 849446413 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FBADHN CS(=O)(=O)CCCN[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001327595502 849451742 /nfs/dbraw/zinc/45/17/42/849451742.db2.gz OFZNKWHSHQMUGM-PNBKFKSVSA-N 0 3 374.503 -0.068 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(s1)CCNC2 ZINC001327596219 849451629 /nfs/dbraw/zinc/45/16/29/849451629.db2.gz GEZINUODQLWOML-LLVKDONJSA-N 0 3 371.484 -0.231 20 0 FBADHN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(s1)CCNC2 ZINC001327596220 849451576 /nfs/dbraw/zinc/45/15/76/849451576.db2.gz GEZINUODQLWOML-NSHDSACASA-N 0 3 371.484 -0.231 20 0 FBADHN C[C@@H](NC(=O)c1cccc2c1CNC2)C(=O)N1CCS(=O)(=O)CC1 ZINC001327596263 849451772 /nfs/dbraw/zinc/45/17/72/849451772.db2.gz HEQUPKJSFHHDEV-LLVKDONJSA-N 0 3 351.428 -0.335 20 0 FBADHN C[C@H](NC(=O)c1cccc2c1CNC2)C(=O)N1CCS(=O)(=O)CC1 ZINC001327596265 849451648 /nfs/dbraw/zinc/45/16/48/849451648.db2.gz HEQUPKJSFHHDEV-NSHDSACASA-N 0 3 351.428 -0.335 20 0 FBADHN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc2c1CNC2 ZINC001327597080 849451617 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Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)cc(C)n1 ZINC001327765931 849479200 /nfs/dbraw/zinc/47/92/00/849479200.db2.gz NZNVWOHFEXPXLR-GFCCVEGCSA-N 0 3 365.477 -0.448 20 0 FBADHN COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCO1 ZINC001327766205 849479473 /nfs/dbraw/zinc/47/94/73/849479473.db2.gz INGVIQJFENMIDM-KBPBESRZSA-N 0 3 355.435 -0.233 20 0 FBADHN COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CCO1 ZINC001327766206 849479357 /nfs/dbraw/zinc/47/93/57/849479357.db2.gz INGVIQJFENMIDM-KGLIPLIRSA-N 0 3 355.435 -0.233 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCO1 ZINC001327766207 849479297 /nfs/dbraw/zinc/47/92/97/849479297.db2.gz INGVIQJFENMIDM-UONOGXRCSA-N 0 3 355.435 -0.233 20 0 FBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CCO1 ZINC001327766208 849479143 /nfs/dbraw/zinc/47/91/43/849479143.db2.gz INGVIQJFENMIDM-ZIAGYGMSSA-N 0 3 355.435 -0.233 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)N1CCCCC1 ZINC001327766688 849480129 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FBADHN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CCO)cc(C)n1 ZINC001327768504 849480102 /nfs/dbraw/zinc/48/01/02/849480102.db2.gz XZUWJABQMNESAD-UHFFFAOYSA-N 0 3 365.477 -0.494 20 0 FBADHN CN1CCN(CCCCNC(=O)C(=O)NCCc2nccs2)CC1 ZINC001327769890 849480289 /nfs/dbraw/zinc/48/02/89/849480289.db2.gz QVXFZGLJLOBTEO-UHFFFAOYSA-N 0 3 353.492 -0.054 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001327772977 849480415 /nfs/dbraw/zinc/48/04/15/849480415.db2.gz LMNIUOLNAKBRJI-UHFFFAOYSA-N 0 3 350.485 -0.817 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001327772990 849480315 /nfs/dbraw/zinc/48/03/15/849480315.db2.gz MJDDAJZZCYBTST-CYBMUJFWSA-N 0 3 362.496 -0.625 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001327772991 849480511 /nfs/dbraw/zinc/48/05/11/849480511.db2.gz MJDDAJZZCYBTST-ZDUSSCGKSA-N 0 3 362.496 -0.625 20 0 FBADHN COCCO[C@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC001327793330 849484079 /nfs/dbraw/zinc/48/40/79/849484079.db2.gz 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CCCc1nnc(SCC(=O)N2CC(CN3CCN(C)CC3)C2)n1N ZINC001328394873 849574660 /nfs/dbraw/zinc/57/46/60/849574660.db2.gz LINCXGHJPNTKFA-UHFFFAOYSA-N 0 3 367.523 -0.258 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cn1 ZINC001328415050 849577963 /nfs/dbraw/zinc/57/79/63/849577963.db2.gz CURIACBNAHDOJT-CYBMUJFWSA-N 0 3 354.432 -0.288 20 0 FBADHN NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cn1 ZINC001328415051 849577816 /nfs/dbraw/zinc/57/78/16/849577816.db2.gz CURIACBNAHDOJT-ZDUSSCGKSA-N 0 3 354.432 -0.288 20 0 FBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001328426786 849579641 /nfs/dbraw/zinc/57/96/41/849579641.db2.gz QCXUTIVCSULRMX-CVEARBPZSA-N 0 3 352.479 -0.280 20 0 FBADHN O=C(CCNC(=O)c1cc2c(s1)CCNC2)N[C@@H]1CCS(=O)(=O)C1 ZINC001328437619 849581549 /nfs/dbraw/zinc/58/15/49/849581549.db2.gz PTCKQMFSLFPUDF-LLVKDONJSA-N 0 3 371.484 -0.183 20 0 FBADHN O=C(CCNC(=O)c1cc2c(s1)CCNC2)N[C@H]1CCS(=O)(=O)C1 ZINC001328437620 849581488 /nfs/dbraw/zinc/58/14/88/849581488.db2.gz 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CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC001328527360 849594373 /nfs/dbraw/zinc/59/43/73/849594373.db2.gz NLERRUUUTJQQDZ-ZDUSSCGKSA-N 0 3 352.435 -0.368 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC001328528001 849594350 /nfs/dbraw/zinc/59/43/50/849594350.db2.gz WNBXUIYFGKJGSQ-KBPBESRZSA-N 0 3 355.435 -0.233 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC001328528002 849594278 /nfs/dbraw/zinc/59/42/78/849594278.db2.gz WNBXUIYFGKJGSQ-KGLIPLIRSA-N 0 3 355.435 -0.233 20 0 FBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC001328528003 849594073 /nfs/dbraw/zinc/59/40/73/849594073.db2.gz WNBXUIYFGKJGSQ-UONOGXRCSA-N 0 3 355.435 -0.233 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC001328528004 849594504 /nfs/dbraw/zinc/59/45/04/849594504.db2.gz WNBXUIYFGKJGSQ-ZIAGYGMSSA-N 0 3 355.435 -0.233 20 0 FBADHN CC(C)C1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001328533847 849595286 /nfs/dbraw/zinc/59/52/86/849595286.db2.gz 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ZINC001328578158 849602064 /nfs/dbraw/zinc/60/20/64/849602064.db2.gz XKFBYPSUKQPPDK-ZDUSSCGKSA-N 0 3 371.463 -0.932 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn(C2CCOCC2)nn1 ZINC001328583251 849602449 /nfs/dbraw/zinc/60/24/49/849602449.db2.gz SOPXZIRGJPDHPF-UHFFFAOYSA-N 0 3 352.439 -0.278 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC001328587368 849603264 /nfs/dbraw/zinc/60/32/64/849603264.db2.gz YJUFTNKMLYQTLG-KBPBESRZSA-N 0 3 355.435 -0.377 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CCO1 ZINC001328587370 849602911 /nfs/dbraw/zinc/60/29/11/849602911.db2.gz YJUFTNKMLYQTLG-KGLIPLIRSA-N 0 3 355.435 -0.377 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC001328587371 849603196 /nfs/dbraw/zinc/60/31/96/849603196.db2.gz YJUFTNKMLYQTLG-UONOGXRCSA-N 0 3 355.435 -0.377 20 0 FBADHN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CCO1 ZINC001328587373 849603086 /nfs/dbraw/zinc/60/30/86/849603086.db2.gz YJUFTNKMLYQTLG-ZIAGYGMSSA-N 0 3 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CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC001329253754 849711798 /nfs/dbraw/zinc/71/17/98/849711798.db2.gz RYLGULMLUVSCSJ-AWEZNQCLSA-N 0 3 353.467 -0.197 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC001329253755 849711660 /nfs/dbraw/zinc/71/16/60/849711660.db2.gz RYLGULMLUVSCSJ-CQSZACIVSA-N 0 3 353.467 -0.197 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001329255369 849711708 /nfs/dbraw/zinc/71/17/08/849711708.db2.gz YQZPSZYMHSDHTP-KBPBESRZSA-N 0 3 353.444 -0.634 20 0 FBADHN N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001329255370 849711564 /nfs/dbraw/zinc/71/15/64/849711564.db2.gz YQZPSZYMHSDHTP-KGLIPLIRSA-N 0 3 353.444 -0.634 20 0 FBADHN C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(C)o1 ZINC001329259706 849711485 /nfs/dbraw/zinc/71/14/85/849711485.db2.gz OTZWXWOCYRIMPQ-QWHCGFSZSA-N 0 3 367.431 -0.203 20 0 FBADHN COCCN1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C1 ZINC001329266888 849713432 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CCN(C(=O)C(=O)N1CC[C@](OC)(C(=O)OC)C1)[C@H]1CCN(CC)C1 ZINC001329307438 849718475 /nfs/dbraw/zinc/71/84/75/849718475.db2.gz RWYCNEKIPWEWNT-SUMWQHHRSA-N 0 3 355.435 -0.280 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC001329318140 849720267 /nfs/dbraw/zinc/72/02/67/849720267.db2.gz CATWOMKCHKWCQU-BFHYXJOUSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC001329318141 849720482 /nfs/dbraw/zinc/72/04/82/849720482.db2.gz CATWOMKCHKWCQU-MCIONIFRSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC001329318142 849720658 /nfs/dbraw/zinc/72/06/58/849720658.db2.gz CATWOMKCHKWCQU-MGPQQGTHSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC001329318143 849720494 /nfs/dbraw/zinc/72/04/94/849720494.db2.gz CATWOMKCHKWCQU-MJBXVCDLSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC001329321928 849720438 /nfs/dbraw/zinc/72/04/38/849720438.db2.gz NGOPRNYKRSGSTM-BFHYXJOUSA-N 0 3 355.435 -0.783 20 0 FBADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC001329321929 849720404 /nfs/dbraw/zinc/72/04/04/849720404.db2.gz NGOPRNYKRSGSTM-MCIONIFRSA-N 0 3 355.435 -0.783 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC001329321930 849720623 /nfs/dbraw/zinc/72/06/23/849720623.db2.gz NGOPRNYKRSGSTM-MGPQQGTHSA-N 0 3 355.435 -0.783 20 0 FBADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC001329321931 849720776 /nfs/dbraw/zinc/72/07/76/849720776.db2.gz NGOPRNYKRSGSTM-MJBXVCDLSA-N 0 3 355.435 -0.783 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001329323188 849720553 /nfs/dbraw/zinc/72/05/53/849720553.db2.gz VGJLOMJBSSHZGW-BFHYXJOUSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001329323189 849720540 /nfs/dbraw/zinc/72/05/40/849720540.db2.gz VGJLOMJBSSHZGW-MCIONIFRSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001329323190 849720761 /nfs/dbraw/zinc/72/07/61/849720761.db2.gz VGJLOMJBSSHZGW-MGPQQGTHSA-N 0 3 355.435 -0.641 20 0 FBADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001329323191 849720527 /nfs/dbraw/zinc/72/05/27/849720527.db2.gz VGJLOMJBSSHZGW-MJBXVCDLSA-N 0 3 355.435 -0.641 20 0 FBADHN CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)CN1CCN(C)CC1)C2 ZINC001329328719 849721873 /nfs/dbraw/zinc/72/18/73/849721873.db2.gz BTIPXELDBONXLP-MQVJKMGUSA-N 0 3 351.495 -0.566 20 0 FBADHN C[C@@H]1CC(F)(F)CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001329332165 849722231 /nfs/dbraw/zinc/72/22/31/849722231.db2.gz SSJNKQDHMQTUPW-GFCCVEGCSA-N 0 3 360.405 -0.135 20 0 FBADHN C[C@H]1CC(F)(F)CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001329332169 849722289 /nfs/dbraw/zinc/72/22/89/849722289.db2.gz SSJNKQDHMQTUPW-LBPRGKRZSA-N 0 3 360.405 -0.135 20 0 FBADHN CN(CC(C)(C)CNCC(=O)Nc1nncs1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001329334583 849722817 /nfs/dbraw/zinc/72/28/17/849722817.db2.gz BWOUBAJCCWGSIG-ZJUUUORDSA-N 0 3 368.463 -0.328 20 0 FBADHN CN(CC(C)(C)CNCC(=O)Nc1ccon1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001329335562 849723092 /nfs/dbraw/zinc/72/30/92/849723092.db2.gz OESFAGVZMZWDAS-MNOVXSKESA-N 0 3 351.407 -0.191 20 0 FBADHN CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC1 ZINC001329352289 849725216 /nfs/dbraw/zinc/72/52/16/849725216.db2.gz HPXZDGCDLBSOGA-BETUJISGSA-N 0 3 350.419 -0.998 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC001329355278 849726400 /nfs/dbraw/zinc/72/64/00/849726400.db2.gz UAXDPHVLDIHSHH-KBPBESRZSA-N 0 3 357.451 -0.177 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC001329355279 849726487 /nfs/dbraw/zinc/72/64/87/849726487.db2.gz UAXDPHVLDIHSHH-KGLIPLIRSA-N 0 3 357.451 -0.177 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC001329355280 849726227 /nfs/dbraw/zinc/72/62/27/849726227.db2.gz UAXDPHVLDIHSHH-UONOGXRCSA-N 0 3 357.451 -0.177 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC001329355281 849726338 /nfs/dbraw/zinc/72/63/38/849726338.db2.gz UAXDPHVLDIHSHH-ZIAGYGMSSA-N 0 3 357.451 -0.177 20 0 FBADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC001329359042 849727343 /nfs/dbraw/zinc/72/73/43/849727343.db2.gz GXCRTPMCMKLEMO-AWEZNQCLSA-N 0 3 354.451 -0.660 20 0 FBADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC001329359043 849727577 /nfs/dbraw/zinc/72/75/77/849727577.db2.gz GXCRTPMCMKLEMO-CQSZACIVSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)CCCS(=O)(=O)N1CCC(c2nnc3n2CCNC3)CC1 ZINC001329379920 849731249 /nfs/dbraw/zinc/73/12/49/849731249.db2.gz VSJMTYTXCAWAKF-UHFFFAOYSA-N 0 3 356.496 -0.158 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC(C)(C)NS(C)(=O)=O)cn1 ZINC001329388086 849732646 /nfs/dbraw/zinc/73/26/46/849732646.db2.gz QCSYYYGWZZLHHO-KBPBESRZSA-N 0 3 371.507 -0.101 20 0 FBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC(C)(C)NS(C)(=O)=O)cn1 ZINC001329388087 849732622 /nfs/dbraw/zinc/73/26/22/849732622.db2.gz QCSYYYGWZZLHHO-KGLIPLIRSA-N 0 3 371.507 -0.101 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC(C)(C)NS(C)(=O)=O)cn1 ZINC001329388088 849732581 /nfs/dbraw/zinc/73/25/81/849732581.db2.gz QCSYYYGWZZLHHO-UONOGXRCSA-N 0 3 371.507 -0.101 20 0 FBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCC(C)(C)NS(C)(=O)=O)cn1 ZINC001329388089 849732602 /nfs/dbraw/zinc/73/26/02/849732602.db2.gz QCSYYYGWZZLHHO-ZIAGYGMSSA-N 0 3 371.507 -0.101 20 0 FBADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001329392718 849733298 /nfs/dbraw/zinc/73/32/98/849733298.db2.gz GTFWBVREGPMTQQ-UHFFFAOYSA-N 0 3 373.479 -0.868 20 0 FBADHN CC(C)N1CCN(C2CCN(S(=O)(=O)c3nncn3C)CC2)CC1 ZINC001329394825 849733418 /nfs/dbraw/zinc/73/34/18/849733418.db2.gz XVFXFJKNXUDSAG-UHFFFAOYSA-N 0 3 356.496 -0.006 20 0 FBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnc2n(c1=O)CCS2 ZINC001329403281 849734817 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CCOC(=O)N1CC[C@H](NC(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC001329850421 849838831 /nfs/dbraw/zinc/83/88/31/849838831.db2.gz SHMMJVJFVUKWBS-ZDUSSCGKSA-N 0 3 358.439 -0.630 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)CC(F)(F)F ZINC001329850847 849838790 /nfs/dbraw/zinc/83/87/90/849838790.db2.gz HPQVGFDVGAVXRD-LLVKDONJSA-N 0 3 366.384 -0.077 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)CC(F)(F)F ZINC001329850849 849838475 /nfs/dbraw/zinc/83/84/75/849838475.db2.gz HPQVGFDVGAVXRD-NSHDSACASA-N 0 3 366.384 -0.077 20 0 FBADHN CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001329851542 849838641 /nfs/dbraw/zinc/83/86/41/849838641.db2.gz KCXGTYRQHLRWDX-CYBMUJFWSA-N 0 3 360.480 -0.919 20 0 FBADHN CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001329851543 849838728 /nfs/dbraw/zinc/83/87/28/849838728.db2.gz KCXGTYRQHLRWDX-ZDUSSCGKSA-N 0 3 360.480 -0.919 20 0 FBADHN CCON(C)C(=O)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC001329862437 849842427 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ZINC001330617603 849975841 /nfs/dbraw/zinc/97/58/41/849975841.db2.gz GBDJDYRLEARCLY-MBNYWOFBSA-N 0 3 354.476 -0.087 20 0 FBADHN O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCOC2(CNC2)C1 ZINC001330617604 849975921 /nfs/dbraw/zinc/97/59/21/849975921.db2.gz GBDJDYRLEARCLY-YRGRVCCFSA-N 0 3 354.476 -0.087 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001330618839 849977077 /nfs/dbraw/zinc/97/70/77/849977077.db2.gz VLYNWZYHZUARCB-QLFBSQMISA-N 0 3 371.503 -0.130 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001330618840 849977215 /nfs/dbraw/zinc/97/72/15/849977215.db2.gz VLYNWZYHZUARCB-RBSFLKMASA-N 0 3 371.503 -0.130 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001330618842 849977088 /nfs/dbraw/zinc/97/70/88/849977088.db2.gz VLYNWZYHZUARCB-RRFJBIMHSA-N 0 3 371.503 -0.130 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001330618844 849977493 /nfs/dbraw/zinc/97/74/93/849977493.db2.gz 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O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC2(CC1)COCCO2 ZINC001331677353 850107852 /nfs/dbraw/zinc/10/78/52/850107852.db2.gz PASASYCJRZOSQJ-HNNXBMFYSA-N 0 3 351.447 -0.005 20 0 FBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC2(CC1)COCCO2 ZINC001331677358 850107760 /nfs/dbraw/zinc/10/77/60/850107760.db2.gz PASASYCJRZOSQJ-OAHLLOKOSA-N 0 3 351.447 -0.005 20 0 FBADHN C[C@@H](CNC(=O)N1CCC(OCC(N)=O)CC1)CN1CCN(C)CC1 ZINC001331680940 850109124 /nfs/dbraw/zinc/10/91/24/850109124.db2.gz QRGCHYVXANQRRB-AWEZNQCLSA-N 0 3 355.483 -0.454 20 0 FBADHN C[C@H](CNC(=O)N1CCC(OCC(N)=O)CC1)CN1CCN(C)CC1 ZINC001331680943 850109324 /nfs/dbraw/zinc/10/93/24/850109324.db2.gz QRGCHYVXANQRRB-CQSZACIVSA-N 0 3 355.483 -0.454 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC2(CC1)COCCO2 ZINC001331701362 850111759 /nfs/dbraw/zinc/11/17/59/850111759.db2.gz QSZFZLNGIGVGOM-UHFFFAOYSA-N 0 3 357.451 -0.521 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001331701914 850111322 /nfs/dbraw/zinc/11/13/22/850111322.db2.gz UNIUIWNHZBCCFC-GASCZTMLSA-N 0 3 354.451 -0.992 20 0 FBADHN CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001331717284 850114582 /nfs/dbraw/zinc/11/45/82/850114582.db2.gz LGAMHBXAOKIXRW-UHFFFAOYSA-N 0 3 355.416 -0.342 20 0 FBADHN CN(Cc1nnc[nH]1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001331718810 850114361 /nfs/dbraw/zinc/11/43/61/850114361.db2.gz DKTVSSSICCQTHQ-AWEZNQCLSA-N 0 3 351.455 -0.257 20 0 FBADHN CN(Cc1nc[nH]n1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001331718810 850114357 /nfs/dbraw/zinc/11/43/57/850114357.db2.gz DKTVSSSICCQTHQ-AWEZNQCLSA-N 0 3 351.455 -0.257 20 0 FBADHN CN(Cc1nnc[nH]1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001331718812 850114445 /nfs/dbraw/zinc/11/44/45/850114445.db2.gz DKTVSSSICCQTHQ-CQSZACIVSA-N 0 3 351.455 -0.257 20 0 FBADHN CN(Cc1nc[nH]n1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001331718812 850114440 /nfs/dbraw/zinc/11/44/40/850114440.db2.gz DKTVSSSICCQTHQ-CQSZACIVSA-N 0 3 351.455 -0.257 20 0 FBADHN CSCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C(N)=O ZINC001331719356 850113936 /nfs/dbraw/zinc/11/39/36/850113936.db2.gz YHXAAGDSXYAUFZ-LBPRGKRZSA-N 0 3 366.443 -0.170 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001331730472 850116533 /nfs/dbraw/zinc/11/65/33/850116533.db2.gz KNFWVOJFVHBLAM-KBPBESRZSA-N 0 3 353.444 -0.368 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001331730474 850116214 /nfs/dbraw/zinc/11/62/14/850116214.db2.gz KNFWVOJFVHBLAM-KGLIPLIRSA-N 0 3 353.444 -0.368 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001331730477 850116633 /nfs/dbraw/zinc/11/66/33/850116633.db2.gz KNFWVOJFVHBLAM-UONOGXRCSA-N 0 3 353.444 -0.368 20 0 FBADHN O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001331730479 850116711 /nfs/dbraw/zinc/11/67/11/850116711.db2.gz KNFWVOJFVHBLAM-ZIAGYGMSSA-N 0 3 353.444 -0.368 20 0 FBADHN C[C@@H]1[C@H](NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCS1(=O)=O ZINC001331731875 850117493 /nfs/dbraw/zinc/11/74/93/850117493.db2.gz UKDPFBRRFJJCAG-KGYLQXTDSA-N 0 3 356.452 -0.341 20 0 FBADHN C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCS1(=O)=O ZINC001331731876 850117929 /nfs/dbraw/zinc/11/79/29/850117929.db2.gz UKDPFBRRFJJCAG-RAIGVLPGSA-N 0 3 356.452 -0.341 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001331753200 850121117 /nfs/dbraw/zinc/12/11/17/850121117.db2.gz UUVPQHRKLKPCAK-CXAGYDPISA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC001331753201 850121484 /nfs/dbraw/zinc/12/14/84/850121484.db2.gz UUVPQHRKLKPCAK-DYVFJYSZSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC001331753203 850121032 /nfs/dbraw/zinc/12/10/32/850121032.db2.gz UUVPQHRKLKPCAK-GUYCJALGSA-N 0 3 354.451 -0.660 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001331753205 850121278 /nfs/dbraw/zinc/12/12/78/850121278.db2.gz UUVPQHRKLKPCAK-SUMWQHHRSA-N 0 3 354.451 -0.660 20 0 FBADHN O=C(NC[C@H](CO)NCCOCC(F)(F)F)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001331757351 850121501 /nfs/dbraw/zinc/12/15/01/850121501.db2.gz MBNOLJKSYWFLGO-QNWHQSFQSA-N 0 3 370.368 -0.317 20 0 FBADHN O=C(NC[C@@H](CO)NCCOCC(F)(F)F)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001331757355 850121244 /nfs/dbraw/zinc/12/12/44/850121244.db2.gz MBNOLJKSYWFLGO-ZDEQEGDKSA-N 0 3 370.368 -0.317 20 0 FBADHN CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001331777345 850126260 /nfs/dbraw/zinc/12/62/60/850126260.db2.gz MULVCBVDLFIZCL-LSDHHAIUSA-N 0 3 350.463 -0.086 20 0 FBADHN C[C@H](NC(=O)C(=O)NCC[C@H]1CCCS1(=O)=O)C1=CCN(C)CC1 ZINC001331777931 850126447 /nfs/dbraw/zinc/12/64/47/850126447.db2.gz OVRHDNZHQPGBFV-GXTWGEPZSA-N 0 3 357.476 -0.164 20 0 FBADHN C[C@H](NC(=O)C(=O)NCC[C@@H]1CCCS1(=O)=O)C1=CCN(C)CC1 ZINC001331777932 850126404 /nfs/dbraw/zinc/12/64/04/850126404.db2.gz OVRHDNZHQPGBFV-JSGCOSHPSA-N 0 3 357.476 -0.164 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCCS1(=O)=O)C1=CCN(C)CC1 ZINC001331777933 850126350 /nfs/dbraw/zinc/12/63/50/850126350.db2.gz OVRHDNZHQPGBFV-OCCSQVGLSA-N 0 3 357.476 -0.164 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCC[C@H]1CCCS1(=O)=O)C1=CCN(C)CC1 ZINC001331777934 850126740 /nfs/dbraw/zinc/12/67/40/850126740.db2.gz OVRHDNZHQPGBFV-TZMCWYRMSA-N 0 3 357.476 -0.164 20 0 FBADHN COc1cccc(CN[C@H](CO)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC001331788037 850128998 /nfs/dbraw/zinc/12/89/98/850128998.db2.gz OJZZOSKEWQOSIZ-AEGPPILISA-N 0 3 351.403 -0.705 20 0 FBADHN COc1cccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC001331788038 850128822 /nfs/dbraw/zinc/12/88/22/850128822.db2.gz OJZZOSKEWQOSIZ-VHDGCEQUSA-N 0 3 351.403 -0.705 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(Cl)cc2)O1 ZINC001331788463 850128559 /nfs/dbraw/zinc/12/85/59/850128559.db2.gz WACQSAJDKHATPZ-HZSPNIEDSA-N 0 3 355.822 -0.060 20 0 FBADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(Cl)cc2)O1 ZINC001331788464 850128796 /nfs/dbraw/zinc/12/87/96/850128796.db2.gz WACQSAJDKHATPZ-MELADBBJSA-N 0 3 355.822 -0.060 20 0 FBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001331807330 850131313 /nfs/dbraw/zinc/13/13/13/850131313.db2.gz CRKDRYIUVCWNRN-CYBMUJFWSA-N 0 3 359.492 -0.082 20 0 FBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001331807331 850131292 /nfs/dbraw/zinc/13/12/92/850131292.db2.gz CRKDRYIUVCWNRN-ZDUSSCGKSA-N 0 3 359.492 -0.082 20 0 FBADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001331842586 850137535 /nfs/dbraw/zinc/13/75/35/850137535.db2.gz XKKFFTSOCWSVDU-GFCCVEGCSA-N 0 3 371.463 -0.533 20 0 FBADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC001331842587 850137283 /nfs/dbraw/zinc/13/72/83/850137283.db2.gz XKKFFTSOCWSVDU-LBPRGKRZSA-N 0 3 371.463 -0.533 20 0 FBADHN O=C(NCC[C@@H]1CCCS1(=O)=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001331859097 850139947 /nfs/dbraw/zinc/13/99/47/850139947.db2.gz JNEDATXMYHGMOC-KBPBESRZSA-N 0 3 357.476 -0.233 20 0 FBADHN O=C(NCC[C@@H]1CCCS1(=O)=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC001331859098 850140126 /nfs/dbraw/zinc/14/01/26/850140126.db2.gz JNEDATXMYHGMOC-KGLIPLIRSA-N 0 3 357.476 -0.233 20 0 FBADHN O=C(NCC[C@H]1CCCS1(=O)=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001331859099 850139855 /nfs/dbraw/zinc/13/98/55/850139855.db2.gz JNEDATXMYHGMOC-UONOGXRCSA-N 0 3 357.476 -0.233 20 0 FBADHN O=C(NCC[C@H]1CCCS1(=O)=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC001331859100 850139497 /nfs/dbraw/zinc/13/94/97/850139497.db2.gz JNEDATXMYHGMOC-ZIAGYGMSSA-N 0 3 357.476 -0.233 20 0 FBADHN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n1cc(CNCC2CC2)nn1 ZINC001331872106 850141248 /nfs/dbraw/zinc/14/12/48/850141248.db2.gz BKKKRLDQMMFZQD-BXUZGUMPSA-N 0 3 355.464 -0.016 20 0 FBADHN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n1cc(CNCC2CC2)nn1 ZINC001331872109 850141395 /nfs/dbraw/zinc/14/13/95/850141395.db2.gz BKKKRLDQMMFZQD-FZMZJTMJSA-N 0 3 355.464 -0.016 20 0 FBADHN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n1cc(CNCC2CC2)nn1 ZINC001331872113 850141268 /nfs/dbraw/zinc/14/12/68/850141268.db2.gz BKKKRLDQMMFZQD-RISCZKNCSA-N 0 3 355.464 -0.016 20 0 FBADHN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n1cc(CNCC2CC2)nn1 ZINC001331872116 850141022 /nfs/dbraw/zinc/14/10/22/850141022.db2.gz BKKKRLDQMMFZQD-SMDDNHRTSA-N 0 3 355.464 -0.016 20 0 FBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001331886929 850143271 /nfs/dbraw/zinc/14/32/71/850143271.db2.gz LLKWUSKLKWBVTF-UHFFFAOYSA-N 0 3 362.496 -0.675 20 0 FBADHN COC(=O)[C@]1(O)CCN(C(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC001331925792 850145811 /nfs/dbraw/zinc/14/58/11/850145811.db2.gz XRSHAXNRTKEPFF-CPUCHLNUSA-N 0 3 350.419 -0.408 20 0 FBADHN COC(=O)[C@]1(O)CCN(C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC001331925793 850146688 /nfs/dbraw/zinc/14/66/88/850146688.db2.gz XRSHAXNRTKEPFF-KEYYUXOJSA-N 0 3 350.419 -0.408 20 0 FBADHN COC(=O)[C@]1(O)CCN(C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC001331925794 850146717 /nfs/dbraw/zinc/14/67/17/850146717.db2.gz XRSHAXNRTKEPFF-VBQJREDUSA-N 0 3 350.419 -0.408 20 0 FBADHN COC(=O)[C@]1(O)CCN(C(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC001331925795 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FBADHN CN(CCCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)S(C)(=O)=O ZINC001332556754 850235750 /nfs/dbraw/zinc/23/57/50/850235750.db2.gz YKFSYLJGOYVBNP-CQSZACIVSA-N 0 3 374.507 -0.483 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC001332563784 850237763 /nfs/dbraw/zinc/23/77/63/850237763.db2.gz CRYKBRFCYDNVHC-AWEZNQCLSA-N 0 3 372.491 -0.919 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC001332563785 850237151 /nfs/dbraw/zinc/23/71/51/850237151.db2.gz CRYKBRFCYDNVHC-CQSZACIVSA-N 0 3 372.491 -0.919 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCO1 ZINC001332565685 850237322 /nfs/dbraw/zinc/23/73/22/850237322.db2.gz VKBFYKFGFYRNBY-KBPBESRZSA-N 0 3 355.435 -0.233 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CCO1 ZINC001332565686 850237468 /nfs/dbraw/zinc/23/74/68/850237468.db2.gz VKBFYKFGFYRNBY-KGLIPLIRSA-N 0 3 355.435 -0.233 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCO1 ZINC001332565687 850237846 /nfs/dbraw/zinc/23/78/46/850237846.db2.gz VKBFYKFGFYRNBY-UONOGXRCSA-N 0 3 355.435 -0.233 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CCO1 ZINC001332565688 850237813 /nfs/dbraw/zinc/23/78/13/850237813.db2.gz VKBFYKFGFYRNBY-ZIAGYGMSSA-N 0 3 355.435 -0.233 20 0 FBADHN Cc1nsc(C)c1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001332567191 850238970 /nfs/dbraw/zinc/23/89/70/850238970.db2.gz SBKWOVSEWUZXBT-FPMFFAJLSA-N 0 3 370.475 -0.298 20 0 FBADHN Cc1nsc(C)c1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001332567192 850238548 /nfs/dbraw/zinc/23/85/48/850238548.db2.gz SBKWOVSEWUZXBT-KWCYVHTRSA-N 0 3 370.475 -0.298 20 0 FBADHN CN(CCNC(=O)C(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1)C1CC1 ZINC001332568500 850239032 /nfs/dbraw/zinc/23/90/32/850239032.db2.gz IVXNIJFZEPCOAG-IYBDPMFKSA-N 0 3 357.476 -0.520 20 0 FBADHN CN(CC(=O)NC(C)(C)CCN1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001332573383 850240336 /nfs/dbraw/zinc/24/03/36/850240336.db2.gz UJDCEVVVRDCKOB-HNNXBMFYSA-N 0 3 374.551 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850243395 /nfs/dbraw/zinc/24/33/95/850243395.db2.gz FDSXCPBZYRVRIA-CYBMUJFWSA-N 0 3 351.455 -0.203 20 0 FBADHN CC(C)n1cnc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)n1 ZINC001332594960 850243231 /nfs/dbraw/zinc/24/32/31/850243231.db2.gz FDSXCPBZYRVRIA-ZDUSSCGKSA-N 0 3 351.455 -0.203 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)CC1(C)C ZINC001332602708 850246085 /nfs/dbraw/zinc/24/60/85/850246085.db2.gz YFNKUVUGEPNWAQ-GFCCVEGCSA-N 0 3 362.421 -0.379 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](C(F)F)C2)CC1(C)C ZINC001332602709 850245555 /nfs/dbraw/zinc/24/55/55/850245555.db2.gz YFNKUVUGEPNWAQ-LBPRGKRZSA-N 0 3 362.421 -0.379 20 0 FBADHN CCN1CCN(CCC(=O)N2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC001332610351 850245671 /nfs/dbraw/zinc/24/56/71/850245671.db2.gz HYQXQAIAZOSJIP-UHFFFAOYSA-N 0 3 361.512 -0.941 20 0 FBADHN CC(C)n1cnc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC001332613438 850248319 /nfs/dbraw/zinc/24/83/19/850248319.db2.gz ZGOZORPLUAYEFY-UHFFFAOYSA-N 0 3 351.455 -0.060 20 0 FBADHN 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850251657 /nfs/dbraw/zinc/25/16/57/850251657.db2.gz PLIZKVSGFZTQSU-OAGGEKHMSA-N 0 3 355.479 -0.089 20 0 FBADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001332632743 850251872 /nfs/dbraw/zinc/25/18/72/850251872.db2.gz PLIZKVSGFZTQSU-XHSDSOJGSA-N 0 3 355.479 -0.089 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)N1CCCCC1 ZINC001332632933 850251927 /nfs/dbraw/zinc/25/19/27/850251927.db2.gz BJRBYOJJYTZQCZ-MCIONIFRSA-N 0 3 357.476 -0.520 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)N1CCCCC1 ZINC001332632934 850251746 /nfs/dbraw/zinc/25/17/46/850251746.db2.gz BJRBYOJJYTZQCZ-MELADBBJSA-N 0 3 357.476 -0.520 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001332642794 850252526 /nfs/dbraw/zinc/25/25/26/850252526.db2.gz ZHRKIGCATQNMNK-ILXRZTDVSA-N 0 3 371.507 -0.101 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001332642796 850252499 /nfs/dbraw/zinc/25/24/99/850252499.db2.gz ZHRKIGCATQNMNK-KFWWJZLASA-N 0 3 371.507 -0.101 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001332642799 850252808 /nfs/dbraw/zinc/25/28/08/850252808.db2.gz ZHRKIGCATQNMNK-QLFBSQMISA-N 0 3 371.507 -0.101 20 0 FBADHN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001332642801 850254133 /nfs/dbraw/zinc/25/41/33/850254133.db2.gz ZHRKIGCATQNMNK-RBSFLKMASA-N 0 3 371.507 -0.101 20 0 FBADHN CN(CCn1cncn1)C[C@@H](O)CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001332645444 850253930 /nfs/dbraw/zinc/25/39/30/850253930.db2.gz CTVLCBJUBFNHFN-INMHGKMJSA-N 0 3 351.451 -0.012 20 0 FBADHN CN(CCn1cncn1)C[C@H](O)CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001332645445 850254572 /nfs/dbraw/zinc/25/45/72/850254572.db2.gz CTVLCBJUBFNHFN-UXLLHSPISA-N 0 3 351.451 -0.012 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)CCN1CCNC1=O ZINC001332646595 850253717 /nfs/dbraw/zinc/25/37/17/850253717.db2.gz HZQORAPTERZZET-KFWWJZLASA-N 0 3 356.467 -0.422 20 0 FBADHN CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)CCN1CCNC1=O ZINC001332646596 850253775 /nfs/dbraw/zinc/25/37/75/850253775.db2.gz HZQORAPTERZZET-ZNMIVQPWSA-N 0 3 356.467 -0.422 20 0 FBADHN CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC001332651124 850254175 /nfs/dbraw/zinc/25/41/75/850254175.db2.gz VNMWMFOWWDXEDG-CYBMUJFWSA-N 0 3 374.507 -0.625 20 0 FBADHN CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC001332651125 850254385 /nfs/dbraw/zinc/25/43/85/850254385.db2.gz VNMWMFOWWDXEDG-ZDUSSCGKSA-N 0 3 374.507 -0.625 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(C)=O ZINC001332662496 850256551 /nfs/dbraw/zinc/25/65/51/850256551.db2.gz VGTPHXYAXGYROU-HNNXBMFYSA-N 0 3 356.467 -0.412 20 0 FBADHN COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(C)=O ZINC001332662499 850257196 /nfs/dbraw/zinc/25/71/96/850257196.db2.gz VGTPHXYAXGYROU-OAHLLOKOSA-N 0 3 356.467 -0.412 20 0 FBADHN CN1CCN(C(=O)C(=O)NCCOCCS(C)(=O)=O)CCC1(C)C ZINC001332665024 850257226 /nfs/dbraw/zinc/25/72/26/850257226.db2.gz YAVVWGAOLCQQTB-UHFFFAOYSA-N 0 3 363.480 -0.894 20 0 FBADHN CN(CCN1C(=O)CCC1=O)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001332665143 850256747 /nfs/dbraw/zinc/25/67/47/850256747.db2.gz PVTLEQUGVZADAY-QLFBSQMISA-N 0 3 351.447 -0.067 20 0 FBADHN CN(CCN1C(=O)CCC1=O)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001332665144 850256480 /nfs/dbraw/zinc/25/64/80/850256480.db2.gz PVTLEQUGVZADAY-SOUVJXGZSA-N 0 3 351.447 -0.067 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(C[C@H](O)C2(O)CCOCC2)CC1 ZINC001332669054 850258319 /nfs/dbraw/zinc/25/83/19/850258319.db2.gz PJYXKZCVGVLWDS-AWEZNQCLSA-N 0 3 350.481 -0.365 20 0 FBADHN CCS(=O)(=O)N(C)C1CCN(C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001332669057 850258862 /nfs/dbraw/zinc/25/88/62/850258862.db2.gz PJYXKZCVGVLWDS-CQSZACIVSA-N 0 3 350.481 -0.365 20 0 FBADHN COC1(C(F)(F)F)CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001332670149 850258919 /nfs/dbraw/zinc/25/89/19/850258919.db2.gz QXYDXHUQRYYKDQ-GHMZBOCLSA-N 0 3 365.352 -0.245 20 0 FBADHN COC1(C(F)(F)F)CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001332670150 850258166 /nfs/dbraw/zinc/25/81/66/850258166.db2.gz QXYDXHUQRYYKDQ-MNOVXSKESA-N 0 3 365.352 -0.245 20 0 FBADHN COC1(C(F)(F)F)CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001332670151 850258597 /nfs/dbraw/zinc/25/85/97/850258597.db2.gz QXYDXHUQRYYKDQ-QWRGUYRKSA-N 0 3 365.352 -0.245 20 0 FBADHN COC1(C(F)(F)F)CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001332670152 850258568 /nfs/dbraw/zinc/25/85/68/850258568.db2.gz QXYDXHUQRYYKDQ-WDEREUQCSA-N 0 3 365.352 -0.245 20 0 FBADHN CCN(C1CCN(C[C@H](O)C2(O)CCOCC2)CC1)S(C)(=O)=O ZINC001332670350 850258068 /nfs/dbraw/zinc/25/80/68/850258068.db2.gz WPDPZPLUWAKKQH-AWEZNQCLSA-N 0 3 350.481 -0.365 20 0 FBADHN CCN(C1CCN(C[C@@H](O)C2(O)CCOCC2)CC1)S(C)(=O)=O ZINC001332670351 850258125 /nfs/dbraw/zinc/25/81/25/850258125.db2.gz WPDPZPLUWAKKQH-CQSZACIVSA-N 0 3 350.481 -0.365 20 0 FBADHN CN1CCC(N(CCO)C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001332670954 850258648 /nfs/dbraw/zinc/25/86/48/850258648.db2.gz JPZMKLXEUBNTRQ-CYBMUJFWSA-N 0 3 350.506 -0.178 20 0 FBADHN CN1CCC(N(CCO)C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC001332670956 850258291 /nfs/dbraw/zinc/25/82/91/850258291.db2.gz JPZMKLXEUBNTRQ-ZDUSSCGKSA-N 0 3 350.506 -0.178 20 0 FBADHN O=C(NCC1CC2(C1)OCCO2)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001332671210 850258460 /nfs/dbraw/zinc/25/84/60/850258460.db2.gz ZTPXIBJXJBURRZ-KBPBESRZSA-N 0 3 353.419 -0.765 20 0 FBADHN O=C(NCC1CC2(C1)OCCO2)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001332671213 850258415 /nfs/dbraw/zinc/25/84/15/850258415.db2.gz ZTPXIBJXJBURRZ-KGLIPLIRSA-N 0 3 353.419 -0.765 20 0 FBADHN O=C(NCC1CC2(C1)OCCO2)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001332671216 850258260 /nfs/dbraw/zinc/25/82/60/850258260.db2.gz ZTPXIBJXJBURRZ-UONOGXRCSA-N 0 3 353.419 -0.765 20 0 FBADHN O=C(NCC1CC2(C1)OCCO2)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001332671218 850258499 /nfs/dbraw/zinc/25/84/99/850258499.db2.gz ZTPXIBJXJBURRZ-ZIAGYGMSSA-N 0 3 353.419 -0.765 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@H](C)O1 ZINC001332673774 850259248 /nfs/dbraw/zinc/25/92/48/850259248.db2.gz UBIJKZYAIHIKJC-KBPBESRZSA-N 0 3 355.435 -0.280 20 0 FBADHN O=C(NCCS(=O)(=O)N1CCCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001332685749 850261847 /nfs/dbraw/zinc/26/18/47/850261847.db2.gz VTTBDUOUNSFREP-AWEZNQCLSA-N 0 3 372.491 -0.871 20 0 FBADHN O=C(NCCS(=O)(=O)N1CCCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001332685751 850261540 /nfs/dbraw/zinc/26/15/40/850261540.db2.gz VTTBDUOUNSFREP-CQSZACIVSA-N 0 3 372.491 -0.871 20 0 FBADHN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC001332686961 850262157 /nfs/dbraw/zinc/26/21/57/850262157.db2.gz KLJAINVTTVRFHT-HUUCEWRRSA-N 0 3 356.467 -0.109 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC(C)(C)CO2)CC1=O ZINC001332688527 850263548 /nfs/dbraw/zinc/26/35/48/850263548.db2.gz ZVCWTWXFTGADET-CYBMUJFWSA-N 0 3 354.451 -0.850 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC(C)(C)CO2)CC1=O ZINC001332688528 850263463 /nfs/dbraw/zinc/26/34/63/850263463.db2.gz ZVCWTWXFTGADET-ZDUSSCGKSA-N 0 3 354.451 -0.850 20 0 FBADHN COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001332717172 850266619 /nfs/dbraw/zinc/26/66/19/850266619.db2.gz IBQQTQUGAXBBND-CXAGYDPISA-N 0 3 355.435 -0.233 20 0 FBADHN COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC001332717175 850267254 /nfs/dbraw/zinc/26/72/54/850267254.db2.gz IBQQTQUGAXBBND-DYVFJYSZSA-N 0 3 355.435 -0.233 20 0 FBADHN COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001332717178 850267596 /nfs/dbraw/zinc/26/75/96/850267596.db2.gz IBQQTQUGAXBBND-GUYCJALGSA-N 0 3 355.435 -0.233 20 0 FBADHN COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC001332717181 850267536 /nfs/dbraw/zinc/26/75/36/850267536.db2.gz IBQQTQUGAXBBND-SUMWQHHRSA-N 0 3 355.435 -0.233 20 0 FBADHN CONC(=O)C1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC001332718639 850267036 /nfs/dbraw/zinc/26/70/36/850267036.db2.gz SZMJYNDZDDNDFI-UHFFFAOYSA-N 0 3 354.451 -0.249 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCO[C@H]2CCOC2)CC1(C)C ZINC001332731280 850269446 /nfs/dbraw/zinc/26/94/46/850269446.db2.gz WBVKCBCJLZBEFT-AWEZNQCLSA-N 0 3 356.467 -0.950 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NCCO[C@@H]2CCOC2)CC1(C)C ZINC001332731281 850269679 /nfs/dbraw/zinc/26/96/79/850269679.db2.gz WBVKCBCJLZBEFT-CQSZACIVSA-N 0 3 356.467 -0.950 20 0 FBADHN CN1CCN(CCNC(=O)C(=O)NC2CCC(C)(O)CC2)CC1(C)C ZINC001332743207 850271124 /nfs/dbraw/zinc/27/11/24/850271124.db2.gz FRRXBBYPZZXEBQ-UHFFFAOYSA-N 0 3 354.495 -0.062 20 0 FBADHN CN1CCN(C2CCN(C(=O)C(=O)NCc3nccs3)CC2)CC1 ZINC001332745507 850270770 /nfs/dbraw/zinc/27/07/70/850270770.db2.gz RKIZBCGTTXCRCK-UHFFFAOYSA-N 0 3 351.476 -0.002 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001332760524 850273722 /nfs/dbraw/zinc/27/37/22/850273722.db2.gz BPMWOXCCVQLDKR-CHWSQXEVSA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001332760525 850273906 /nfs/dbraw/zinc/27/39/06/850273906.db2.gz BPMWOXCCVQLDKR-OLZOCXBDSA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001332760527 850273998 /nfs/dbraw/zinc/27/39/98/850273998.db2.gz BPMWOXCCVQLDKR-QWHCGFSZSA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001332760529 850273847 /nfs/dbraw/zinc/27/38/47/850273847.db2.gz BPMWOXCCVQLDKR-STQMWFEESA-N 0 3 360.480 -0.873 20 0 FBADHN CN(C)CCN(C)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC001332761174 850273781 /nfs/dbraw/zinc/27/37/81/850273781.db2.gz MQYKRGQOEQFXAX-UHFFFAOYSA-N 0 3 370.475 -0.758 20 0 FBADHN CN(C)CCN1CCN(C(=O)C(=O)NCCc2ccsc2)CC1=O ZINC001332761899 850275147 /nfs/dbraw/zinc/27/51/47/850275147.db2.gz OJYGGCPLIUPDCT-UHFFFAOYSA-N 0 3 352.460 -0.361 20 0 FBADHN C[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)[C@@H]1CN(C)CCN1C ZINC001332763619 850274865 /nfs/dbraw/zinc/27/48/65/850274865.db2.gz BTJLIVSJEZJEFA-CVEARBPZSA-N 0 3 361.556 -0.822 20 0 FBADHN C[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)[C@@H]1CN(C)CCN1C ZINC001332763620 850274391 /nfs/dbraw/zinc/27/43/91/850274391.db2.gz BTJLIVSJEZJEFA-HOTGVXAUSA-N 0 3 361.556 -0.822 20 0 FBADHN C[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)[C@H]1CN(C)CCN1C ZINC001332763621 850275336 /nfs/dbraw/zinc/27/53/36/850275336.db2.gz BTJLIVSJEZJEFA-HZPDHXFCSA-N 0 3 361.556 -0.822 20 0 FBADHN C[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)[C@H]1CN(C)CCN1C ZINC001332763622 850274576 /nfs/dbraw/zinc/27/45/76/850274576.db2.gz BTJLIVSJEZJEFA-JKSUJKDBSA-N 0 3 361.556 -0.822 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC001332767424 850275766 /nfs/dbraw/zinc/27/57/66/850275766.db2.gz AGTITSQMPOVNFO-SUAKZCRRSA-N 0 3 370.519 -0.892 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC001332767425 850276056 /nfs/dbraw/zinc/27/60/56/850276056.db2.gz AGTITSQMPOVNFO-NMLVXVCJSA-N 0 3 370.519 -0.892 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC001332767426 850276149 /nfs/dbraw/zinc/27/61/49/850276149.db2.gz 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ZINC001335359458 850626833 /nfs/dbraw/zinc/62/68/33/850626833.db2.gz CCFURMHSKUPKSZ-UPJWGTAASA-N 0 3 350.481 -0.009 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1=O ZINC001335361902 850626699 /nfs/dbraw/zinc/62/66/99/850626699.db2.gz ORQASWYMGDDAJV-KBPBESRZSA-N 0 3 352.435 -0.282 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1=O ZINC001335361903 850626577 /nfs/dbraw/zinc/62/65/77/850626577.db2.gz ORQASWYMGDDAJV-KGLIPLIRSA-N 0 3 352.435 -0.282 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1=O ZINC001335361904 850626848 /nfs/dbraw/zinc/62/68/48/850626848.db2.gz ORQASWYMGDDAJV-UONOGXRCSA-N 0 3 352.435 -0.282 20 0 FBADHN CN1CC(=O)N(CCCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1=O ZINC001335361905 850626812 /nfs/dbraw/zinc/62/68/12/850626812.db2.gz ORQASWYMGDDAJV-ZIAGYGMSSA-N 0 3 352.435 -0.282 20 0 FBADHN C[C@H](NC[C@@H](O)COc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001335365199 850626777 /nfs/dbraw/zinc/62/67/77/850626777.db2.gz CYMIXKQLZPTKCX-GXTWGEPZSA-N 0 3 374.434 -0.200 20 0 FBADHN C[C@H](NC[C@H](O)COc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001335365200 850626643 /nfs/dbraw/zinc/62/66/43/850626643.db2.gz CYMIXKQLZPTKCX-JSGCOSHPSA-N 0 3 374.434 -0.200 20 0 FBADHN C[C@@H](NC[C@H](O)COc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001335365201 850626499 /nfs/dbraw/zinc/62/64/99/850626499.db2.gz CYMIXKQLZPTKCX-OCCSQVGLSA-N 0 3 374.434 -0.200 20 0 FBADHN C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001335365202 850626761 /nfs/dbraw/zinc/62/67/61/850626761.db2.gz CYMIXKQLZPTKCX-TZMCWYRMSA-N 0 3 374.434 -0.200 20 0 FBADHN C[C@H](CNC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21)CN1CCCCC1 ZINC001335365420 850626633 /nfs/dbraw/zinc/62/66/33/850626633.db2.gz ALZCOLAPFKQEKX-KFWWJZLASA-N 0 3 358.508 -0.111 20 0 FBADHN C[C@@H](CNC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21)CN1CCCCC1 ZINC001335365426 850626663 /nfs/dbraw/zinc/62/66/63/850626663.db2.gz ALZCOLAPFKQEKX-ZNMIVQPWSA-N 0 3 358.508 -0.111 20 0 FBADHN O=C(CNC[C@H](O)COc1ccccc1F)NCCN1CCOCC1 ZINC001335369650 850627468 /nfs/dbraw/zinc/62/74/68/850627468.db2.gz XRGBGACZEOPNKJ-AWEZNQCLSA-N 0 3 355.410 -0.397 20 0 FBADHN O=C(CNC[C@@H](O)COc1ccccc1F)NCCN1CCOCC1 ZINC001335369654 850627777 /nfs/dbraw/zinc/62/77/77/850627777.db2.gz XRGBGACZEOPNKJ-CQSZACIVSA-N 0 3 355.410 -0.397 20 0 FBADHN CCN(CC)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]21 ZINC001335370834 850627759 /nfs/dbraw/zinc/62/77/59/850627759.db2.gz FCTSAHIGTHXZTA-JGFGOLAASA-N 0 3 353.463 -0.047 20 0 FBADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001335371806 850627478 /nfs/dbraw/zinc/62/74/78/850627478.db2.gz WAFPSVVVTTXRCY-GFCCVEGCSA-N 0 3 367.537 -0.130 20 0 FBADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001335371807 850627537 /nfs/dbraw/zinc/62/75/37/850627537.db2.gz WAFPSVVVTTXRCY-LBPRGKRZSA-N 0 3 367.537 -0.130 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1C(=O)[O-] ZINC001335380055 850628855 /nfs/dbraw/zinc/62/88/55/850628855.db2.gz QDBMNYGKUDUHRP-KBPBESRZSA-N 0 3 356.467 -0.493 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1C(=O)[O-] ZINC001335380056 850628776 /nfs/dbraw/zinc/62/87/76/850628776.db2.gz QDBMNYGKUDUHRP-KGLIPLIRSA-N 0 3 356.467 -0.493 20 0 FBADHN C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1C(=O)[O-] ZINC001335380057 850628536 /nfs/dbraw/zinc/62/85/36/850628536.db2.gz QDBMNYGKUDUHRP-UONOGXRCSA-N 0 3 356.467 -0.493 20 0 FBADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1C(=O)[O-] ZINC001335380058 850628817 /nfs/dbraw/zinc/62/88/17/850628817.db2.gz QDBMNYGKUDUHRP-ZIAGYGMSSA-N 0 3 356.467 -0.493 20 0 FBADHN CN(C)S(=O)(=O)C1(CNC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC001335385563 850628763 /nfs/dbraw/zinc/62/87/63/850628763.db2.gz PJEDYEBEVVPDIU-UHFFFAOYSA-N 0 3 360.480 -0.919 20 0 FBADHN CC(C)(C)CCN1CCN(c2nnnn2CCNS(C)(=O)=O)CC1 ZINC001335388071 850629381 /nfs/dbraw/zinc/62/93/81/850629381.db2.gz WNZQZBIANYBIKU-UHFFFAOYSA-N 0 3 359.500 -0.220 20 0 FBADHN Cc1cccc(OC[C@@H](O)CN[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC001335405673 850631720 /nfs/dbraw/zinc/63/17/20/850631720.db2.gz ASHKLMKBFHMKOS-CABCVRRESA-N 0 3 370.471 -0.030 20 0 FBADHN Cc1cccc(OC[C@@H](O)CN[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC001335405674 850632125 /nfs/dbraw/zinc/63/21/25/850632125.db2.gz ASHKLMKBFHMKOS-GJZGRUSLSA-N 0 3 370.471 -0.030 20 0 FBADHN Cc1cccc(OC[C@H](O)CN[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC001335405675 850631808 /nfs/dbraw/zinc/63/18/08/850631808.db2.gz ASHKLMKBFHMKOS-HUUCEWRRSA-N 0 3 370.471 -0.030 20 0 FBADHN Cc1cccc(OC[C@H](O)CN[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC001335405676 850632184 /nfs/dbraw/zinc/63/21/84/850632184.db2.gz ASHKLMKBFHMKOS-LSDHHAIUSA-N 0 3 370.471 -0.030 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCO1 ZINC001335434643 850634013 /nfs/dbraw/zinc/63/40/13/850634013.db2.gz VDQBOLJKSUPPHP-BLLLJJGKSA-N 0 3 373.475 -0.670 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCO1 ZINC001335434644 850633897 /nfs/dbraw/zinc/63/38/97/850633897.db2.gz VDQBOLJKSUPPHP-LRDDRELGSA-N 0 3 373.475 -0.670 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCO1 ZINC001335434646 850633768 /nfs/dbraw/zinc/63/37/68/850633768.db2.gz VDQBOLJKSUPPHP-MLGOLLRUSA-N 0 3 373.475 -0.670 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCO1 ZINC001335434648 850633809 /nfs/dbraw/zinc/63/38/09/850633809.db2.gz VDQBOLJKSUPPHP-WBMJQRKESA-N 0 3 373.475 -0.670 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2CC)CCO1 ZINC001335438553 850633683 /nfs/dbraw/zinc/63/36/83/850633683.db2.gz RZSZKFPQIYRWPQ-KBPBESRZSA-N 0 3 355.435 -0.233 20 0 FBADHN CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2CC)CCO1 ZINC001335438554 850634088 /nfs/dbraw/zinc/63/40/88/850634088.db2.gz RZSZKFPQIYRWPQ-KGLIPLIRSA-N 0 3 355.435 -0.233 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2CC)CCO1 ZINC001335438555 850633934 /nfs/dbraw/zinc/63/39/34/850633934.db2.gz RZSZKFPQIYRWPQ-UONOGXRCSA-N 0 3 355.435 -0.233 20 0 FBADHN CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2CC)CCO1 ZINC001335438556 850633701 /nfs/dbraw/zinc/63/37/01/850633701.db2.gz RZSZKFPQIYRWPQ-ZIAGYGMSSA-N 0 3 355.435 -0.233 20 0 FBADHN CC(C)N1CCC[C@H](CNC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC001335460663 850635259 /nfs/dbraw/zinc/63/52/59/850635259.db2.gz QEOSADOWKGGYMV-KFWWJZLASA-N 0 3 358.508 -0.113 20 0 FBADHN CC(C)N1CCC[C@@H](CNC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC001335460664 850634989 /nfs/dbraw/zinc/63/49/89/850634989.db2.gz QEOSADOWKGGYMV-ZNMIVQPWSA-N 0 3 358.508 -0.113 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001335491529 850637650 /nfs/dbraw/zinc/63/76/50/850637650.db2.gz XITKQKFQPYEYIQ-ILXRZTDVSA-N 0 3 374.507 -0.492 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001335491530 850637221 /nfs/dbraw/zinc/63/72/21/850637221.db2.gz XITKQKFQPYEYIQ-KFWWJZLASA-N 0 3 374.507 -0.492 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001335491531 850637681 /nfs/dbraw/zinc/63/76/81/850637681.db2.gz XITKQKFQPYEYIQ-QLFBSQMISA-N 0 3 374.507 -0.492 20 0 FBADHN CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001335491532 850637534 /nfs/dbraw/zinc/63/75/34/850637534.db2.gz XITKQKFQPYEYIQ-RBSFLKMASA-N 0 3 374.507 -0.492 20 0 FBADHN CCN(CCC(=O)NC)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001335507954 850638597 /nfs/dbraw/zinc/63/85/97/850638597.db2.gz BYTSMBAPQFELJD-UHFFFAOYSA-N 0 3 355.483 -0.885 20 0 FBADHN CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001335508415 850638373 /nfs/dbraw/zinc/63/83/73/850638373.db2.gz IEOOJWJFFSLPBR-HUUCEWRRSA-N 0 3 356.467 -0.950 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)NCc2cn(C)nc2OC)CC1 ZINC001335535752 850642636 /nfs/dbraw/zinc/64/26/36/850642636.db2.gz MUDBNJDCCBIQRX-UHFFFAOYSA-N 0 3 353.423 -0.728 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@H]2C2OCCO2)CC1 ZINC001335536673 850642563 /nfs/dbraw/zinc/64/25/63/850642563.db2.gz RNHSZHGEMLPCEU-AWEZNQCLSA-N 0 3 355.435 -0.423 20 0 FBADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C2OCCO2)CC1 ZINC001335536675 850642267 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354.480 -0.527 20 0 FBADHN Cc1nnc(CNC(=O)C(=O)N2CCNCCC23CCOCC3)s1 ZINC001335761237 850676204 /nfs/dbraw/zinc/67/62/04/850676204.db2.gz ZUCMMEMEPJEXKE-UHFFFAOYSA-N 0 3 353.448 -0.166 20 0 FBADHN O=C(N[C@@H]1COc2cc(F)cc(F)c21)C(=O)N1CCNCCNCC1 ZINC001335769262 850676739 /nfs/dbraw/zinc/67/67/39/850676739.db2.gz PXYXPSIJWMBWFJ-GFCCVEGCSA-N 0 3 354.357 -0.464 20 0 FBADHN O=C(N[C@H]1COc2cc(F)cc(F)c21)C(=O)N1CCNCCNCC1 ZINC001335769263 850676626 /nfs/dbraw/zinc/67/66/26/850676626.db2.gz PXYXPSIJWMBWFJ-LBPRGKRZSA-N 0 3 354.357 -0.464 20 0 FBADHN COCCOC[C@H](C)NC(=O)C(=O)N1CCNCCC12CCOCC2 ZINC001335770043 850676501 /nfs/dbraw/zinc/67/65/01/850676501.db2.gz XHXCALDUIQHNOR-AWEZNQCLSA-N 0 3 357.451 -0.475 20 0 FBADHN COCCOC[C@@H](C)NC(=O)C(=O)N1CCNCCC12CCOCC2 ZINC001335770044 850676408 /nfs/dbraw/zinc/67/64/08/850676408.db2.gz XHXCALDUIQHNOR-CQSZACIVSA-N 0 3 357.451 -0.475 20 0 FBADHN COc1ccc(F)cc1CCNC(=O)C(=O)N1CCNCCNCC1 ZINC001335801797 850678465 /nfs/dbraw/zinc/67/84/65/850678465.db2.gz KZTKQHJUJYOGFM-UHFFFAOYSA-N 0 3 352.410 -0.486 20 0 FBADHN CN(C)CCN(C)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001335805962 850679813 /nfs/dbraw/zinc/67/98/13/850679813.db2.gz GHSUDEFDWKUGQM-CYBMUJFWSA-N 0 3 363.867 -0.001 20 0 FBADHN CN(C)CCN(C)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001335805963 850679674 /nfs/dbraw/zinc/67/96/74/850679674.db2.gz GHSUDEFDWKUGQM-ZDUSSCGKSA-N 0 3 363.867 -0.001 20 0 FBADHN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)O1)C(=O)N1CCNCCNCC1 ZINC001335814095 850680585 /nfs/dbraw/zinc/68/05/85/850680585.db2.gz CFUGBUHYXVSDDT-NEPJUHHUSA-N 0 3 366.384 -0.376 20 0 FBADHN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)C(=O)N1CCNCCNCC1 ZINC001335814096 850680797 /nfs/dbraw/zinc/68/07/97/850680797.db2.gz CFUGBUHYXVSDDT-NWDGAFQWSA-N 0 3 366.384 -0.376 20 0 FBADHN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)C(=O)N1CCNCCNCC1 ZINC001335814748 850680447 /nfs/dbraw/zinc/68/04/47/850680447.db2.gz CFUGBUHYXVSDDT-RYUDHWBXSA-N 0 3 366.384 -0.376 20 0 FBADHN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)O1)C(=O)N1CCNCCNCC1 ZINC001335814750 850680740 /nfs/dbraw/zinc/68/07/40/850680740.db2.gz CFUGBUHYXVSDDT-VXGBXAGGSA-N 0 3 366.384 -0.376 20 0 FBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCC(CO)CC2)CC1 ZINC001335820966 850681923 /nfs/dbraw/zinc/68/19/23/850681923.db2.gz RRRPWQULGLFERY-INIZCTEOSA-N 0 3 352.479 -0.544 20 0 FBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCC(CO)CC2)CC1 ZINC001335820967 850682094 /nfs/dbraw/zinc/68/20/94/850682094.db2.gz RRRPWQULGLFERY-MRXNPFEDSA-N 0 3 352.479 -0.544 20 0 FBADHN C[C@@H]1[C@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCN1C ZINC001335839080 850683059 /nfs/dbraw/zinc/68/30/59/850683059.db2.gz KTQVAJQCOHRUFD-CHWSQXEVSA-N 0 3 350.423 -0.044 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCN1C ZINC001335839081 850683082 /nfs/dbraw/zinc/68/30/82/850683082.db2.gz KTQVAJQCOHRUFD-OLZOCXBDSA-N 0 3 350.423 -0.044 20 0 FBADHN C[C@H]1[C@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCN1C ZINC001335839082 850683229 /nfs/dbraw/zinc/68/32/29/850683229.db2.gz KTQVAJQCOHRUFD-QWHCGFSZSA-N 0 3 350.423 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850684910 /nfs/dbraw/zinc/68/49/10/850684910.db2.gz IARKITWFQHEIRQ-STQMWFEESA-N 0 3 370.475 -0.673 20 0 FBADHN CONC(=O)C1CCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC001335884107 850686445 /nfs/dbraw/zinc/68/64/45/850686445.db2.gz AGSZNBVLKCBGLO-UHFFFAOYSA-N 0 3 354.451 -0.155 20 0 FBADHN O=S1(=O)C[C@H](NC[C@H](O)CCC2(O)CCC2)[C@@H](N2CCOCC2)C1 ZINC001335896254 850688720 /nfs/dbraw/zinc/68/87/20/850688720.db2.gz FPCBSSWFOMXXCR-ILXRZTDVSA-N 0 3 362.492 -0.870 20 0 FBADHN O=S1(=O)C[C@H](NC[C@@H](O)CCC2(O)CCC2)[C@@H](N2CCOCC2)C1 ZINC001335896256 850688945 /nfs/dbraw/zinc/68/89/45/850688945.db2.gz FPCBSSWFOMXXCR-KKUMJFAQSA-N 0 3 362.492 -0.870 20 0 FBADHN O=S1(=O)C[C@H](NC[C@H](O)CCC2(O)CCC2)[C@H](N2CCOCC2)C1 ZINC001335896257 850688900 /nfs/dbraw/zinc/68/89/00/850688900.db2.gz FPCBSSWFOMXXCR-QLFBSQMISA-N 0 3 362.492 -0.870 20 0 FBADHN O=S1(=O)C[C@H](NC[C@@H](O)CCC2(O)CCC2)[C@H](N2CCOCC2)C1 ZINC001335896259 850688645 /nfs/dbraw/zinc/68/86/45/850688645.db2.gz FPCBSSWFOMXXCR-SOUVJXGZSA-N 0 3 362.492 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359.492 -0.225 20 0 FBADHN COC(=O)c1cn(CC(=O)N2CCC(N3CCN(C)CC3)CC2)nn1 ZINC001336022072 850701232 /nfs/dbraw/zinc/70/12/32/850701232.db2.gz CACZBZAFGXQEAY-UHFFFAOYSA-N 0 3 350.423 -0.697 20 0 FBADHN CN1CCN(C2CCN(C(=O)C3=NN(CCO)C(=O)CC3)CC2)CC1 ZINC001336022817 850701522 /nfs/dbraw/zinc/70/15/22/850701522.db2.gz JHLFVFNITGVSTA-UHFFFAOYSA-N 0 3 351.451 -0.805 20 0 FBADHN C[C@@H](NC(=O)C(=O)NCC(C)(C)CS(C)(=O)=O)C1=CCN(C)CC1 ZINC001336028297 850701558 /nfs/dbraw/zinc/70/15/58/850701558.db2.gz HHZWNOJGZLVDCY-GFCCVEGCSA-N 0 3 359.492 -0.060 20 0 FBADHN C[C@H](NC(=O)C(=O)NCC(C)(C)CS(C)(=O)=O)C1=CCN(C)CC1 ZINC001336028298 850701499 /nfs/dbraw/zinc/70/14/99/850701499.db2.gz HHZWNOJGZLVDCY-LBPRGKRZSA-N 0 3 359.492 -0.060 20 0 FBADHN CCC(C)(C)N1CCN(c2nnnn2CCCS(=O)(=O)NC)CC1 ZINC001336049196 850703187 /nfs/dbraw/zinc/70/31/87/850703187.db2.gz SGPCUDWAYZEATP-UHFFFAOYSA-N 0 3 359.500 -0.077 20 0 FBADHN CC(C)(CNC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21)CN1CCCC1 ZINC001336082405 850705215 /nfs/dbraw/zinc/70/52/15/850705215.db2.gz IXMLQSYOIXEQKF-KGLIPLIRSA-N 0 3 358.508 -0.111 20 0 FBADHN O=C(NCCS(=O)(=O)CCc1ccccc1)N1CCNCCNCC1 ZINC001336091590 850705186 /nfs/dbraw/zinc/70/51/86/850705186.db2.gz UMWGRAMPJRAFJD-UHFFFAOYSA-N 0 3 368.503 -0.152 20 0 FBADHN O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)N1CCNCCNCC1 ZINC001336149138 850710436 /nfs/dbraw/zinc/71/04/36/850710436.db2.gz BPJLJUGNSHEGTF-HNNXBMFYSA-N 0 3 352.460 -0.140 20 0 FBADHN O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)N1CCNCCNCC1 ZINC001336149139 850710477 /nfs/dbraw/zinc/71/04/77/850710477.db2.gz BPJLJUGNSHEGTF-OAHLLOKOSA-N 0 3 352.460 -0.140 20 0 FBADHN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001336151961 850711186 /nfs/dbraw/zinc/71/11/86/850711186.db2.gz NWGHQAGKLISWAZ-CHWSQXEVSA-N 0 3 355.435 -0.471 20 0 FBADHN CN1CCC2(CCCN2S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001336203292 850718185 /nfs/dbraw/zinc/71/81/85/850718185.db2.gz ZSQZHWOBNSSPMR-UHFFFAOYSA-N 0 3 365.521 -0.232 20 0 FBADHN CN1CCN(C(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)CCC1(C)C ZINC001336221029 850720845 /nfs/dbraw/zinc/72/08/45/850720845.db2.gz VCIXGGLHJLTRSJ-UHFFFAOYSA-N 0 3 374.507 -0.531 20 0 FBADHN CN1CCCC[C@@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001336225389 850720452 /nfs/dbraw/zinc/72/04/52/850720452.db2.gz WPIGZMGBRHTFOX-CHWSQXEVSA-N 0 3 370.475 -0.248 20 0 FBADHN CN1CCCC[C@@H]1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001336225392 850720566 /nfs/dbraw/zinc/72/05/66/850720566.db2.gz WPIGZMGBRHTFOX-OLZOCXBDSA-N 0 3 370.475 -0.248 20 0 FBADHN CN1CCCC[C@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001336225395 850720520 /nfs/dbraw/zinc/72/05/20/850720520.db2.gz WPIGZMGBRHTFOX-QWHCGFSZSA-N 0 3 370.475 -0.248 20 0 FBADHN CN1CCCC[C@H]1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001336225397 850720747 /nfs/dbraw/zinc/72/07/47/850720747.db2.gz WPIGZMGBRHTFOX-STQMWFEESA-N 0 3 370.475 -0.248 20 0 FBADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1 ZINC001336228420 850721758 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/nfs/dbraw/zinc/99/71/66/850997166.db2.gz ZKMXPKGLGCKVPQ-MNXVOIDGSA-N 0 3 354.476 -0.041 20 0 FBADHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H]1COC2(CNC2)C1 ZINC001340617924 850997501 /nfs/dbraw/zinc/99/75/01/850997501.db2.gz ZKMXPKGLGCKVPQ-UHXUPSOCSA-N 0 3 354.476 -0.041 20 0 FBADHN CN(C)S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001340621582 850998909 /nfs/dbraw/zinc/99/89/09/850998909.db2.gz IHYRXXBDRNMJRB-UHFFFAOYSA-N 0 3 358.489 -0.042 20 0 FBADHN Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001340637688 850998517 /nfs/dbraw/zinc/99/85/17/850998517.db2.gz CPJQMXYXXXJNFL-GFCCVEGCSA-N 0 3 350.467 -0.025 20 0 FBADHN Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001340637689 850998343 /nfs/dbraw/zinc/99/83/43/850998343.db2.gz CPJQMXYXXXJNFL-LBPRGKRZSA-N 0 3 350.467 -0.025 20 0 FBADHN CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)CS(C)(=O)=O ZINC001340664404 851001141 /nfs/dbraw/zinc/00/11/41/851001141.db2.gz XEXWZCLMYXXWNH-CYBMUJFWSA-N 0 3 359.492 -0.226 20 0 FBADHN CC(C)(CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)CS(C)(=O)=O ZINC001340664406 851000386 /nfs/dbraw/zinc/00/03/86/851000386.db2.gz XEXWZCLMYXXWNH-ZDUSSCGKSA-N 0 3 359.492 -0.226 20 0 FBADHN CC1(C)CCN(CCNC(=O)C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC001340694540 851001641 /nfs/dbraw/zinc/00/16/41/851001641.db2.gz PYTVNSCXEKCATL-UHFFFAOYSA-N 0 3 359.492 -0.225 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N(C)CC1CCOCC1)CN1CCN(C)CC1 ZINC001340706906 851002151 /nfs/dbraw/zinc/00/21/51/851002151.db2.gz AYNINQQGWLMMKN-HNNXBMFYSA-N 0 3 354.495 -0.129 20 0 FBADHN C[C@H](CNC(=O)C(=O)N(C)CC1CCOCC1)CN1CCN(C)CC1 ZINC001340706908 851001612 /nfs/dbraw/zinc/00/16/12/851001612.db2.gz AYNINQQGWLMMKN-OAHLLOKOSA-N 0 3 354.495 -0.129 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CCCOC1)CN1CCN(C)CC1 ZINC001340707572 851002084 /nfs/dbraw/zinc/00/20/84/851002084.db2.gz CLFWDKQFLSLQBI-BZUAXINKSA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CCCOC1)CN1CCN(C)CC1 ZINC001340707573 851003092 /nfs/dbraw/zinc/00/30/92/851003092.db2.gz CLFWDKQFLSLQBI-OAGGEKHMSA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCCOC1)CN1CCN(C)CC1 ZINC001340707575 851002716 /nfs/dbraw/zinc/00/27/16/851002716.db2.gz CLFWDKQFLSLQBI-OWCLPIDISA-N 0 3 354.495 -0.083 20 0 FBADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCCOC1)CN1CCN(C)CC1 ZINC001340707577 851002745 /nfs/dbraw/zinc/00/27/45/851002745.db2.gz CLFWDKQFLSLQBI-PMPSAXMXSA-N 0 3 354.495 -0.083 20 0 FBADHN COCCN(CC(F)F)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001340707689 851003121 /nfs/dbraw/zinc/00/31/21/851003121.db2.gz DPFXEPUXODAEEK-CYBMUJFWSA-N 0 3 364.437 -0.274 20 0 FBADHN COCCN(CC(F)F)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001340707690 851002868 /nfs/dbraw/zinc/00/28/68/851002868.db2.gz DPFXEPUXODAEEK-ZDUSSCGKSA-N 0 3 364.437 -0.274 20 0 FBADHN Cc1noc([C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)n1 ZINC001340708711 851003386 /nfs/dbraw/zinc/00/33/86/851003386.db2.gz GTRFIZMNFOVDPT-NEPJUHHUSA-N 0 3 352.439 -0.445 20 0 FBADHN Cc1noc([C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)n1 ZINC001340708712 851003315 /nfs/dbraw/zinc/00/33/15/851003315.db2.gz GTRFIZMNFOVDPT-NWDGAFQWSA-N 0 3 352.439 -0.445 20 0 FBADHN Cc1noc([C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)n1 ZINC001340708713 851003614 /nfs/dbraw/zinc/00/36/14/851003614.db2.gz GTRFIZMNFOVDPT-RYUDHWBXSA-N 0 3 352.439 -0.445 20 0 FBADHN Cc1noc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)n1 ZINC001340708714 851003031 /nfs/dbraw/zinc/00/30/31/851003031.db2.gz GTRFIZMNFOVDPT-VXGBXAGGSA-N 0 3 352.439 -0.445 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2nc(C)no2)CC1 ZINC001340708825 851003010 /nfs/dbraw/zinc/00/30/10/851003010.db2.gz IDAKFLUDCQWLAO-GFCCVEGCSA-N 0 3 352.439 -0.616 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2nc(C)no2)CC1 ZINC001340708826 851003074 /nfs/dbraw/zinc/00/30/74/851003074.db2.gz IDAKFLUDCQWLAO-LBPRGKRZSA-N 0 3 352.439 -0.616 20 0 FBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC001340709119 851003233 /nfs/dbraw/zinc/00/32/33/851003233.db2.gz ISPYDGSDDYGSDG-AWEZNQCLSA-N 0 3 350.467 -0.574 20 0 FBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC001340709122 851003455 /nfs/dbraw/zinc/00/34/55/851003455.db2.gz ISPYDGSDDYGSDG-CQSZACIVSA-N 0 3 350.467 -0.574 20 0 FBADHN CCN(C[C@@H]1CCOC1)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001340709535 851003494 /nfs/dbraw/zinc/00/34/94/851003494.db2.gz LHNFBFHLTOQGFU-CVEARBPZSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN(C[C@@H]1CCOC1)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001340709536 851003676 /nfs/dbraw/zinc/00/36/76/851003676.db2.gz LHNFBFHLTOQGFU-HOTGVXAUSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN(C[C@H]1CCOC1)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001340709537 851003540 /nfs/dbraw/zinc/00/35/40/851003540.db2.gz LHNFBFHLTOQGFU-HZPDHXFCSA-N 0 3 354.495 -0.129 20 0 FBADHN CCN(C[C@H]1CCOC1)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001340709538 851003049 /nfs/dbraw/zinc/00/30/49/851003049.db2.gz LHNFBFHLTOQGFU-JKSUJKDBSA-N 0 3 354.495 -0.129 20 0 FBADHN COCC1=CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC001340711559 851003210 /nfs/dbraw/zinc/00/32/10/851003210.db2.gz XNBINOXIQHRMKP-HNNXBMFYSA-N 0 3 352.479 -0.209 20 0 FBADHN COCC1=CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC001340711560 851002915 /nfs/dbraw/zinc/00/29/15/851002915.db2.gz XNBINOXIQHRMKP-OAHLLOKOSA-N 0 3 352.479 -0.209 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001340714205 851002793 /nfs/dbraw/zinc/00/27/93/851002793.db2.gz QPASGNIRYKTJSE-HZSPNIEDSA-N 0 3 357.476 -0.520 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001340714206 851003279 /nfs/dbraw/zinc/00/32/79/851003279.db2.gz QPASGNIRYKTJSE-MJBXVCDLSA-N 0 3 357.476 -0.520 20 0 FBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CNCCN1C)CC2 ZINC001340727366 851004060 /nfs/dbraw/zinc/00/40/60/851004060.db2.gz QCNZIRNDEHGGRD-HNNXBMFYSA-N 0 3 352.460 -0.223 20 0 FBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CNCCN1C)CC2 ZINC001340727370 851004085 /nfs/dbraw/zinc/00/40/85/851004085.db2.gz QCNZIRNDEHGGRD-OAHLLOKOSA-N 0 3 352.460 -0.223 20 0 FBADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2COC3(CNC3)C2)c1 ZINC001340732612 851004157 /nfs/dbraw/zinc/00/41/57/851004157.db2.gz AYPDPBSAUBHMJC-GFCCVEGCSA-N 0 3 355.416 -0.271 20 0 FBADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COC3(CNC3)C2)c1 ZINC001340732617 851004659 /nfs/dbraw/zinc/00/46/59/851004659.db2.gz AYPDPBSAUBHMJC-LBPRGKRZSA-N 0 3 355.416 -0.271 20 0 FBADHN O=C(NCCS(=O)(=O)CC(F)(F)F)C1=NO[C@@]2(C1)CCCNC2 ZINC001340735008 851004139 /nfs/dbraw/zinc/00/41/39/851004139.db2.gz JXJITKAPEJVFQO-LLVKDONJSA-N 0 3 357.354 -0.022 20 0 FBADHN O=C(NCCS(=O)(=O)CC(F)(F)F)C1=NO[C@]2(C1)CCCNC2 ZINC001340735011 851004127 /nfs/dbraw/zinc/00/41/27/851004127.db2.gz JXJITKAPEJVFQO-NSHDSACASA-N 0 3 357.354 -0.022 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CNCCN2C)cc1 ZINC001340735138 851004498 /nfs/dbraw/zinc/00/44/98/851004498.db2.gz JXEDYVREHGIBSQ-HNNXBMFYSA-N 0 3 354.476 -0.365 20 0 FBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CNCCN2C)cc1 ZINC001340735142 851004752 /nfs/dbraw/zinc/00/47/52/851004752.db2.gz JXEDYVREHGIBSQ-OAHLLOKOSA-N 0 3 354.476 -0.365 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H]2COC3(CNC3)C2)cc1 ZINC001340736053 851005662 /nfs/dbraw/zinc/00/56/62/851005662.db2.gz RSUBZVFGHPJVGM-CHWSQXEVSA-N 0 3 353.444 -0.091 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H]2COC3(CNC3)C2)cc1 ZINC001340736056 851005464 /nfs/dbraw/zinc/00/54/64/851005464.db2.gz RSUBZVFGHPJVGM-OLZOCXBDSA-N 0 3 353.444 -0.091 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2COC3(CNC3)C2)cc1 ZINC001340736058 851005360 /nfs/dbraw/zinc/00/53/60/851005360.db2.gz RSUBZVFGHPJVGM-QWHCGFSZSA-N 0 3 353.444 -0.091 20 0 FBADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2COC3(CNC3)C2)cc1 ZINC001340736060 851005391 /nfs/dbraw/zinc/00/53/91/851005391.db2.gz RSUBZVFGHPJVGM-STQMWFEESA-N 0 3 353.444 -0.091 20 0 FBADHN NC(=O)COc1ccc(CNC(=O)CNC2(CO)CCOCC2)cc1 ZINC001340795091 851007888 /nfs/dbraw/zinc/00/78/88/851007888.db2.gz MAQJPFLZZZDZTA-UHFFFAOYSA-N 0 3 351.403 -0.702 20 0 FBADHN COC(=O)CC[C@@H](N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001340803718 851008489 /nfs/dbraw/zinc/00/84/89/851008489.db2.gz NEMZZUPUXLMMIQ-CQSZACIVSA-N 0 3 354.451 -0.576 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1)N1CCCCC1 ZINC001340813600 851009137 /nfs/dbraw/zinc/00/91/37/851009137.db2.gz LXMPYXIIVTVHGT-AWEZNQCLSA-N 0 3 374.507 -0.529 20 0 FBADHN C[C@H](CNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1)N1CCCCC1 ZINC001340813601 851009460 /nfs/dbraw/zinc/00/94/60/851009460.db2.gz LXMPYXIIVTVHGT-CQSZACIVSA-N 0 3 374.507 -0.529 20 0 FBADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCCCC1 ZINC001340815877 851009653 /nfs/dbraw/zinc/00/96/53/851009653.db2.gz FHXOVMZQTHSEML-KBPBESRZSA-N 0 3 374.507 -0.625 20 0 FBADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCCCC1 ZINC001340815878 851009184 /nfs/dbraw/zinc/00/91/84/851009184.db2.gz FHXOVMZQTHSEML-KGLIPLIRSA-N 0 3 374.507 -0.625 20 0 FBADHN 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CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C)nn2CC)C[C@@H]1O)N(C)C ZINC001343574853 851401173 /nfs/dbraw/zinc/40/11/73/851401173.db2.gz HKROPUIPETVXPL-NFAWXSAZSA-N 0 3 351.451 -0.147 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]1O)N(C)C ZINC001343575302 851400928 /nfs/dbraw/zinc/40/09/28/851400928.db2.gz IPEHAMBDDYYDHJ-MCIONIFRSA-N 0 3 356.467 -0.823 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]1O)N(C)C ZINC001343575303 851401474 /nfs/dbraw/zinc/40/14/74/851401474.db2.gz IPEHAMBDDYYDHJ-RDBSUJKOSA-N 0 3 356.467 -0.823 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](O)C1 ZINC001343575438 851401461 /nfs/dbraw/zinc/40/14/61/851401461.db2.gz KTWDEJFTVDHGTK-OLZOCXBDSA-N 0 3 351.451 -0.283 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@@H]1O)N(C)C ZINC001343575976 851402143 /nfs/dbraw/zinc/40/21/43/851402143.db2.gz MMLRJFQSIQIAGU-AGIUHOORSA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@@H]1O)N(C)C ZINC001343575981 851402088 /nfs/dbraw/zinc/40/20/88/851402088.db2.gz MMLRJFQSIQIAGU-UPJWGTAASA-N 0 3 351.407 -0.873 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1O)N(C)C ZINC001343576128 851402733 /nfs/dbraw/zinc/40/27/33/851402733.db2.gz NZSUBQGVQOMXKU-ILXRZTDVSA-N 0 3 351.451 -0.472 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@@H]1O)N(C)C ZINC001343576132 851402100 /nfs/dbraw/zinc/40/21/00/851402100.db2.gz NZSUBQGVQOMXKU-KFWWJZLASA-N 0 3 351.451 -0.472 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@@H]1O)N(C)C ZINC001343577238 851402011 /nfs/dbraw/zinc/40/20/11/851402011.db2.gz UBVOAXIQEHIVML-UTUOFQBUSA-N 0 3 359.377 -0.011 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@@H]1O)N(C)C ZINC001343577239 851402051 /nfs/dbraw/zinc/40/20/51/851402051.db2.gz UBVOAXIQEHIVML-WOPDTQHZSA-N 0 3 359.377 -0.011 20 0 FBADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1O)N(C)C ZINC001343577306 851402696 /nfs/dbraw/zinc/40/26/96/851402696.db2.gz VUOYZGOEESCOGZ-ILXRZTDVSA-N 0 3 351.451 -0.701 20 0 FBADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1O)N(C)C ZINC001343577307 851402719 /nfs/dbraw/zinc/40/27/19/851402719.db2.gz VUOYZGOEESCOGZ-KFWWJZLASA-N 0 3 351.451 -0.701 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 ZINC001343591347 851404715 /nfs/dbraw/zinc/40/47/15/851404715.db2.gz UWJXZTHJDPNKRW-OLZOCXBDSA-N 0 3 353.423 -0.928 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001343591825 851404878 /nfs/dbraw/zinc/40/48/78/851404878.db2.gz WJDYABPHDNBKLY-MCIONIFRSA-N 0 3 354.451 -0.925 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001343591826 851404997 /nfs/dbraw/zinc/40/49/97/851404997.db2.gz WJDYABPHDNBKLY-MJBXVCDLSA-N 0 3 354.451 -0.925 20 0 FBADHN CCO[C@@H]1C[C@](N)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)C1(C)C ZINC001343593443 851404600 /nfs/dbraw/zinc/40/46/00/851404600.db2.gz YPAWRIMUHLRLND-JFTQMJAMSA-N 0 3 355.479 -0.139 20 0 FBADHN CCO[C@H]1C[C@@](N)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)C1(C)C ZINC001343593444 851404926 /nfs/dbraw/zinc/40/49/26/851404926.db2.gz YPAWRIMUHLRLND-LBTBCDHLSA-N 0 3 355.479 -0.139 20 0 FBADHN CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)C1(C)C ZINC001343593445 851404452 /nfs/dbraw/zinc/40/44/52/851404452.db2.gz YPAWRIMUHLRLND-MJSCVDMRSA-N 0 3 355.479 -0.139 20 0 FBADHN CCO[C@H]1C[C@](N)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)C1(C)C ZINC001343593446 851404550 /nfs/dbraw/zinc/40/45/50/851404550.db2.gz YPAWRIMUHLRLND-ZZCKCESHSA-N 0 3 355.479 -0.139 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](O)C1 ZINC001343601518 851405715 /nfs/dbraw/zinc/40/57/15/851405715.db2.gz NCCDUXQJHKCEAF-MFAUZPSPSA-N 0 3 351.447 -0.561 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1O ZINC001343604782 851406274 /nfs/dbraw/zinc/40/62/74/851406274.db2.gz BUYUJCPNZWFXPS-OLZOCXBDSA-N 0 3 353.423 -0.928 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1O)N(C)C ZINC001343604874 851405912 /nfs/dbraw/zinc/40/59/12/851405912.db2.gz DFCOAOFULIMMCV-AGIUHOORSA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1O)N(C)C ZINC001343604875 851405639 /nfs/dbraw/zinc/40/56/39/851405639.db2.gz DFCOAOFULIMMCV-FRRDWIJNSA-N 0 3 371.869 -0.039 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1O)N(C)C ZINC001343605058 851406006 /nfs/dbraw/zinc/40/60/06/851406006.db2.gz GTRDXTOFAUKBFU-IJEWVQPXSA-N 0 3 351.451 -0.763 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1O)N(C)C ZINC001343605059 851405847 /nfs/dbraw/zinc/40/58/47/851405847.db2.gz GTRDXTOFAUKBFU-YCPHGPKFSA-N 0 3 351.451 -0.763 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@@H]1O ZINC001343605084 851406455 /nfs/dbraw/zinc/40/64/55/851406455.db2.gz IIXDNZUFJGYWGY-CFVMTHIKSA-N 0 3 351.451 -0.447 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@@H]1O ZINC001343605085 851406390 /nfs/dbraw/zinc/40/63/90/851406390.db2.gz IIXDNZUFJGYWGY-YUELXQCFSA-N 0 3 351.451 -0.447 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@@H]1O ZINC001343605283 851405945 /nfs/dbraw/zinc/40/59/45/851405945.db2.gz JVKIESMDRCXORM-OCCSQVGLSA-N 0 3 350.419 -0.971 20 0 FBADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343605322 851405899 /nfs/dbraw/zinc/40/58/99/851405899.db2.gz KPWMVLPNAMTWRG-HZSPNIEDSA-N 0 3 356.467 -0.825 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@@H]1O ZINC001343605338 851405795 /nfs/dbraw/zinc/40/57/95/851405795.db2.gz LAWINJBFGCBBFL-OCCSQVGLSA-N 0 3 352.439 -0.669 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@@H]1O ZINC001343605352 851405981 /nfs/dbraw/zinc/40/59/81/851405981.db2.gz LDFYJJLIEFPIGN-OLZOCXBDSA-N 0 3 354.407 -0.608 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1O)N(C)C ZINC001343605613 851406320 /nfs/dbraw/zinc/40/63/20/851406320.db2.gz MQNMNPBATIYTAP-VNHYZAJKSA-N 0 3 354.476 -0.040 20 0 FBADHN CCCC(=O)NCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343605618 851406025 /nfs/dbraw/zinc/40/60/25/851406025.db2.gz MXESKIZMSQFDRH-DVOMOZLQSA-N 0 3 356.467 -0.823 20 0 FBADHN CCCC(=O)NCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343605619 851405583 /nfs/dbraw/zinc/40/55/83/851405583.db2.gz MXESKIZMSQFDRH-WWGRRREGSA-N 0 3 356.467 -0.823 20 0 FBADHN Cc1ncc(CC(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)o1 ZINC001343605626 851405831 /nfs/dbraw/zinc/40/58/31/851405831.db2.gz NEUSPWULUAYBSS-IJEWVQPXSA-N 0 3 352.435 -0.200 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@@H]1O ZINC001343605647 851405664 /nfs/dbraw/zinc/40/56/64/851405664.db2.gz OBJUHELPPFFRJL-NEPJUHHUSA-N 0 3 357.842 -0.283 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@@H]1O ZINC001343605667 851406104 /nfs/dbraw/zinc/40/61/04/851406104.db2.gz OTMSOXMRLARZBP-CABCVRRESA-N 0 3 351.451 -0.699 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@@H]1O ZINC001343605689 851405601 /nfs/dbraw/zinc/40/56/01/851405601.db2.gz PSEGGNBBLSNPRO-KGLIPLIRSA-N 0 3 352.439 -0.912 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1O)N(C)C ZINC001343605691 851406430 /nfs/dbraw/zinc/40/64/30/851406430.db2.gz PTLYIGYELLIWMF-DVOMOZLQSA-N 0 3 356.467 -0.694 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1O)N(C)C ZINC001343606001 851405742 /nfs/dbraw/zinc/40/57/42/851405742.db2.gz RYJIMSOJBFHYOJ-KGYLQXTDSA-N 0 3 353.423 -0.987 20 0 FBADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1O)N(C)C ZINC001343606002 851407381 /nfs/dbraw/zinc/40/73/81/851407381.db2.gz RYJIMSOJBFHYOJ-WXHSDQCUSA-N 0 3 353.423 -0.987 20 0 FBADHN CCn1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)n1 ZINC001343606081 851407741 /nfs/dbraw/zinc/40/77/41/851407741.db2.gz UQUSDRDVIIEGSP-HZSPNIEDSA-N 0 3 352.439 -0.814 20 0 FBADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@@H]1O ZINC001343606097 851407611 /nfs/dbraw/zinc/40/76/11/851407611.db2.gz VECTXTIJCVJCNC-PWSUYJOCSA-N 0 3 359.377 -0.079 20 0 FBADHN Cc1cnn(C)c1C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343606386 851407693 /nfs/dbraw/zinc/40/76/93/851407693.db2.gz WKWUBRHWGDVQKV-HZSPNIEDSA-N 0 3 351.451 -0.384 20 0 FBADHN Cc1cnn(C)c1C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343606388 851407403 /nfs/dbraw/zinc/40/74/03/851407403.db2.gz WKWUBRHWGDVQKV-RDBSUJKOSA-N 0 3 351.451 -0.384 20 0 FBADHN CCn1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)n1 ZINC001343606407 851407448 /nfs/dbraw/zinc/40/74/48/851407448.db2.gz WQOVVQNNPHUIAE-QLFBSQMISA-N 0 3 351.451 -0.209 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343606446 851407721 /nfs/dbraw/zinc/40/77/21/851407721.db2.gz XDTCTWPKUGRWKP-AGIUHOORSA-N 0 3 369.491 -0.012 20 0 FBADHN CCc1nnsc1C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343606448 851407666 /nfs/dbraw/zinc/40/76/66/851407666.db2.gz XDTCTWPKUGRWKP-FRRDWIJNSA-N 0 3 369.491 -0.012 20 0 FBADHN Cc1nc(C)c(C(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)[nH]1 ZINC001343606481 851407161 /nfs/dbraw/zinc/40/71/61/851407161.db2.gz XWAKUIQGMAWDIW-IPYPFGDCSA-N 0 3 351.451 -0.086 20 0 FBADHN CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1)N(C)C ZINC001343614264 851408584 /nfs/dbraw/zinc/40/85/84/851408584.db2.gz QOUKNYLJWQPOEH-AGIUHOORSA-N 0 3 353.423 -0.661 20 0 FBADHN CN1CCN(CCNC(=O)NCCCn2cc(CO)nn2)CC1(C)C ZINC001343614331 851408327 /nfs/dbraw/zinc/40/83/27/851408327.db2.gz FUDFKPCZYSMNJZ-UHFFFAOYSA-N 0 3 353.471 -0.514 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](O)C1 ZINC001343616215 851408534 /nfs/dbraw/zinc/40/85/34/851408534.db2.gz BQFPAGXYBRRUMY-CABCVRRESA-N 0 3 350.419 -0.267 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 ZINC001343616448 851409509 /nfs/dbraw/zinc/40/95/09/851409509.db2.gz HKGFHTDYNMPLMD-OLZOCXBDSA-N 0 3 353.423 -0.928 20 0 FBADHN CCN(CCO)CCNC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001343620763 851410870 /nfs/dbraw/zinc/41/08/70/851410870.db2.gz MKPWTWGNGPZYPQ-AWEZNQCLSA-N 0 3 351.451 -0.374 20 0 FBADHN CCN(CCO)CCNC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001343620765 851410411 /nfs/dbraw/zinc/41/04/11/851410411.db2.gz MKPWTWGNGPZYPQ-CQSZACIVSA-N 0 3 351.451 -0.374 20 0 FBADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001343627836 851411738 /nfs/dbraw/zinc/41/17/38/851411738.db2.gz IZIIPLPCBQLSEY-CABCVRRESA-N 0 3 351.451 -0.618 20 0 FBADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001343654530 851415416 /nfs/dbraw/zinc/41/54/16/851415416.db2.gz NSYLBFRJWODYCU-CABCVRRESA-N 0 3 352.410 -0.207 20 0 FBADHN Cc1n[nH]c(C)c1C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343704399 851422691 /nfs/dbraw/zinc/42/26/91/851422691.db2.gz AYLQAZAUSXZDDI-VNHYZAJKSA-N 0 3 351.451 -0.086 20 0 FBADHN CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)cn1 ZINC001343704420 851423108 /nfs/dbraw/zinc/42/31/08/851423108.db2.gz BQHYJVQLOKTJSP-QLFBSQMISA-N 0 3 351.451 -0.209 20 0 FBADHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1O)N(C)C ZINC001343704722 851423040 /nfs/dbraw/zinc/42/30/40/851423040.db2.gz DTTLSMLCEHAFKW-IJEWVQPXSA-N 0 3 352.435 -0.119 20 0 FBADHN Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)n(C)n1 ZINC001343704724 851422983 /nfs/dbraw/zinc/42/29/83/851422983.db2.gz DXHCTVRNSDYAAG-VHDGCEQUSA-N 0 3 351.451 -0.384 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)cnn1C ZINC001343704980 851422797 /nfs/dbraw/zinc/42/27/97/851422797.db2.gz IMCGGMJVSKSJHF-QLFBSQMISA-N 0 3 351.451 -0.384 20 0 FBADHN Cc1nnsc1C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001343705803 851424053 /nfs/dbraw/zinc/42/40/53/851424053.db2.gz USCQBEZLXYYXSL-GRYCIOLGSA-N 0 3 355.464 -0.266 20 0 FBADHN Cc1c(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)nnn1C ZINC001343706305 851424337 /nfs/dbraw/zinc/42/43/37/851424337.db2.gz ZLNBDYYXPHFQBS-MBNYWOFBSA-N 0 3 352.439 -0.989 20 0 FBADHN C[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCS(=O)(=O)C1 ZINC001343709971 851424608 /nfs/dbraw/zinc/42/46/08/851424608.db2.gz DAHJYNOTUIHPBC-GFCCVEGCSA-N 0 3 358.464 -0.673 20 0 FBADHN C[C@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCS(=O)(=O)C1 ZINC001343709975 851424451 /nfs/dbraw/zinc/42/44/51/851424451.db2.gz DAHJYNOTUIHPBC-LBPRGKRZSA-N 0 3 358.464 -0.673 20 0 FBADHN Cc1cc(CCC(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)no1 ZINC001343718427 851426256 /nfs/dbraw/zinc/42/62/56/851426256.db2.gz PFVVWYOXVORFDO-CABCVRRESA-N 0 3 352.435 -0.056 20 0 FBADHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001343738975 851429057 /nfs/dbraw/zinc/42/90/57/851429057.db2.gz DPCKSTMMAHZBDO-OLZOCXBDSA-N 0 3 356.467 -0.550 20 0 FBADHN CN(CC(=O)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O)CC(C)(C)C ZINC001343738985 851429092 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CCCN(C)CC(=O)N1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001345358759 851583033 /nfs/dbraw/zinc/58/30/33/851583033.db2.gz QKASZUSOPZKSAU-OLZOCXBDSA-N 0 3 362.496 -0.627 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)[C@@H]1C ZINC001345366890 851582899 /nfs/dbraw/zinc/58/28/99/851582899.db2.gz AKZGYCZCSJYCNF-OCCSQVGLSA-N 0 3 359.492 -0.132 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CN2CCCNC2=O)[C@@H]1C ZINC001345367258 851583895 /nfs/dbraw/zinc/58/38/95/851583895.db2.gz FLDFNKTVOUOEBQ-KGLIPLIRSA-N 0 3 353.467 -0.151 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1C ZINC001345367373 851583987 /nfs/dbraw/zinc/58/39/87/851583987.db2.gz IOQVOFYGWZTIHO-OLZOCXBDSA-N 0 3 362.496 -0.675 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001345367656 851584081 /nfs/dbraw/zinc/58/40/81/851584081.db2.gz JWBBLSPARZEJKQ-MCIONIFRSA-N 0 3 359.492 -0.132 20 0 FBADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001345367657 851584047 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851589993 /nfs/dbraw/zinc/58/99/93/851589993.db2.gz VWXYOLCDQXMHKG-AGIUHOORSA-N 0 3 352.435 -0.515 20 0 FBADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)[C@@H]1C ZINC001345420628 851590468 /nfs/dbraw/zinc/59/04/68/851590468.db2.gz VWXYOLCDQXMHKG-UPJWGTAASA-N 0 3 352.435 -0.515 20 0 FBADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1C ZINC001345420741 851590697 /nfs/dbraw/zinc/59/06/97/851590697.db2.gz XKQIQXXSVTXFNX-WOPDTQHZSA-N 0 3 353.423 -0.970 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)C(=O)NCC(F)F ZINC001345420840 851590566 /nfs/dbraw/zinc/59/05/66/851590566.db2.gz YGFOCPNYDICSDW-MNOVXSKESA-N 0 3 360.405 -0.042 20 0 FBADHN C[C@@H]1[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CN1CN=NC1=O ZINC001345421018 851590636 /nfs/dbraw/zinc/59/06/36/851590636.db2.gz ZSWFIVZZHJPJLL-NEPJUHHUSA-N 0 3 350.423 -0.426 20 0 FBADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C ZINC001345430519 851591445 /nfs/dbraw/zinc/59/14/45/851591445.db2.gz 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CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001345451990 851592432 /nfs/dbraw/zinc/59/24/32/851592432.db2.gz JFYDHFBVTOSDMU-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001345451991 851592774 /nfs/dbraw/zinc/59/27/74/851592774.db2.gz JFYDHFBVTOSDMU-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001345453181 851592531 /nfs/dbraw/zinc/59/25/31/851592531.db2.gz RCZZEYRSOYURQI-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001345453184 851593415 /nfs/dbraw/zinc/59/34/15/851593415.db2.gz RCZZEYRSOYURQI-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001345453186 851593667 /nfs/dbraw/zinc/59/36/67/851593667.db2.gz RCZZEYRSOYURQI-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001345453188 851593638 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HZVBFTKRKCEFOE-QGZVFWFLSA-N 0 3 357.451 -0.034 20 0 FBADHN CCOC(=O)[C@@]1(C)CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CCO1 ZINC001348653012 851878955 /nfs/dbraw/zinc/87/89/55/851878955.db2.gz MTJRRTSJECWWDU-CXAGYDPISA-N 0 3 355.435 -0.280 20 0 FBADHN CCOC(=O)[C@]1(C)CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CCO1 ZINC001348653013 851879181 /nfs/dbraw/zinc/87/91/81/851879181.db2.gz MTJRRTSJECWWDU-DYVFJYSZSA-N 0 3 355.435 -0.280 20 0 FBADHN CCOC(=O)[C@]1(C)CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCO1 ZINC001348653014 851878709 /nfs/dbraw/zinc/87/87/09/851878709.db2.gz MTJRRTSJECWWDU-GUYCJALGSA-N 0 3 355.435 -0.280 20 0 FBADHN CCOC(=O)[C@@]1(C)CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCO1 ZINC001348653015 851878991 /nfs/dbraw/zinc/87/89/91/851878991.db2.gz MTJRRTSJECWWDU-SUMWQHHRSA-N 0 3 355.435 -0.280 20 0 FBADHN CNC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC001348677191 851881137 /nfs/dbraw/zinc/88/11/37/851881137.db2.gz CYUZUGDUGBVWMA-KBPBESRZSA-N 0 3 353.467 -0.151 20 0 FBADHN CNC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC001348677192 851881172 /nfs/dbraw/zinc/88/11/72/851881172.db2.gz CYUZUGDUGBVWMA-KGLIPLIRSA-N 0 3 353.467 -0.151 20 0 FBADHN CNC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC001348677193 851880877 /nfs/dbraw/zinc/88/08/77/851880877.db2.gz CYUZUGDUGBVWMA-UONOGXRCSA-N 0 3 353.467 -0.151 20 0 FBADHN CNC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC001348677194 851880964 /nfs/dbraw/zinc/88/09/64/851880964.db2.gz CYUZUGDUGBVWMA-ZIAGYGMSSA-N 0 3 353.467 -0.151 20 0 FBADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC001348686841 851881940 /nfs/dbraw/zinc/88/19/40/851881940.db2.gz VXQQSCFKKDQOHL-UHFFFAOYSA-N 0 3 353.467 -0.245 20 0 FBADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC001348687590 851882060 /nfs/dbraw/zinc/88/20/60/851882060.db2.gz PCLYSGQSDSAFLC-BPCQOVAHSA-N 0 3 360.480 -0.876 20 0 FBADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC001348687591 851881903 /nfs/dbraw/zinc/88/19/03/851881903.db2.gz PCLYSGQSDSAFLC-WXRRBKDZSA-N 0 3 360.480 -0.876 20 0 FBADHN CCNS(=O)(=O)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001348708885 851883203 /nfs/dbraw/zinc/88/32/03/851883203.db2.gz HSEOPARTHNECQO-UHFFFAOYSA-N 0 3 361.512 -0.653 20 0 FBADHN CN1CCN(C2CCN(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC001348718507 851884399 /nfs/dbraw/zinc/88/43/99/851884399.db2.gz LDOCJYDGOPZIMK-AWEZNQCLSA-N 0 3 373.523 -0.558 20 0 FBADHN CN1CCN(C2CCN(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC001348718509 851883960 /nfs/dbraw/zinc/88/39/60/851883960.db2.gz LDOCJYDGOPZIMK-CQSZACIVSA-N 0 3 373.523 -0.558 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CN3CCN2C[C@H]3C)CC1 ZINC001348782747 851887055 /nfs/dbraw/zinc/88/70/55/851887055.db2.gz BHAKVTYUVBDKNS-CVEARBPZSA-N 0 3 351.495 -0.613 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CN3CCN2C[C@@H]3C)CC1 ZINC001348782748 851887102 /nfs/dbraw/zinc/88/71/02/851887102.db2.gz BHAKVTYUVBDKNS-HOTGVXAUSA-N 0 3 351.495 -0.613 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CN3CCN2C[C@H]3C)CC1 ZINC001348782749 851886677 /nfs/dbraw/zinc/88/66/77/851886677.db2.gz BHAKVTYUVBDKNS-HZPDHXFCSA-N 0 3 351.495 -0.613 20 0 FBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CN3CCN2C[C@@H]3C)CC1 ZINC001348782750 851886934 /nfs/dbraw/zinc/88/69/34/851886934.db2.gz BHAKVTYUVBDKNS-JKSUJKDBSA-N 0 3 351.495 -0.613 20 0 FBADHN CCCN(CCN(C)C)C(=O)[C@H]1[C@H](c2cnn(C)c2)N(C)C(=O)[C@H]1O ZINC001348794620 851887839 /nfs/dbraw/zinc/88/78/39/851887839.db2.gz WBSRFPXNTOISLG-KKUMJFAQSA-N 0 3 351.451 -0.290 20 0 FBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001348833864 851889725 /nfs/dbraw/zinc/88/97/25/851889725.db2.gz JMQPWASLGPJNDD-UHFFFAOYSA-N 0 3 359.492 -0.130 20 0 FBADHN CN(CCN1CCCC1)C(=O)C(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC001348859886 851890813 /nfs/dbraw/zinc/89/08/13/851890813.db2.gz BSUGDSSOENJBDG-CALCHBBNSA-N 0 3 371.503 -0.176 20 0 FBADHN CC(=O)C1CCN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC001348872242 851891657 /nfs/dbraw/zinc/89/16/57/851891657.db2.gz DCZPZCBMYYEDPH-UHFFFAOYSA-N 0 3 352.479 -0.090 20 0 FBADHN CONC(=O)C1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC001348874208 851891679 /nfs/dbraw/zinc/89/16/79/851891679.db2.gz PBUSSGCJRPLLJG-AWEZNQCLSA-N 0 3 352.435 -0.401 20 0 FBADHN CONC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC001348874209 851891690 /nfs/dbraw/zinc/89/16/90/851891690.db2.gz PBUSSGCJRPLLJG-CQSZACIVSA-N 0 3 352.435 -0.401 20 0 FBADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccn(CCF)n2)CC1 ZINC001348903570 851894810 /nfs/dbraw/zinc/89/48/10/851894810.db2.gz VBHZSYLGZDBYED-UHFFFAOYSA-N 0 3 354.430 -0.065 20 0 FBADHN Cc1cc(N2CC[C@@H](NC[C@H](O)COC3CCOCC3)C2=O)n(C)n1 ZINC001348958543 851896924 /nfs/dbraw/zinc/89/69/24/851896924.db2.gz VALLPWJIGYEKHN-DZGCQCFKSA-N 0 3 352.435 -0.020 20 0 FBADHN Cc1cc(N2CC[C@H](NC[C@@H](O)COC3CCOCC3)C2=O)n(C)n1 ZINC001348958544 851896704 /nfs/dbraw/zinc/89/67/04/851896704.db2.gz VALLPWJIGYEKHN-HIFRSBDPSA-N 0 3 352.435 -0.020 20 0 FBADHN Cc1cc(N2CC[C@@H](NC[C@@H](O)COC3CCOCC3)C2=O)n(C)n1 ZINC001348958545 851896578 /nfs/dbraw/zinc/89/65/78/851896578.db2.gz VALLPWJIGYEKHN-UKRRQHHQSA-N 0 3 352.435 -0.020 20 0 FBADHN Cc1cc(N2CC[C@H](NC[C@H](O)COC3CCOCC3)C2=O)n(C)n1 ZINC001348958546 851896509 /nfs/dbraw/zinc/89/65/09/851896509.db2.gz VALLPWJIGYEKHN-ZFWWWQNUSA-N 0 3 352.435 -0.020 20 0 FBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)n1 ZINC001349016470 851899042 /nfs/dbraw/zinc/89/90/42/851899042.db2.gz MPTGNFGKFVJQFG-LLVKDONJSA-N 0 3 352.395 -0.668 20 0 FBADHN CCOC(=O)Cn1cnc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)n1 ZINC001349016471 851898599 /nfs/dbraw/zinc/89/85/99/851898599.db2.gz MPTGNFGKFVJQFG-NSHDSACASA-N 0 3 352.395 -0.668 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001349037984 851900894 /nfs/dbraw/zinc/90/08/94/851900894.db2.gz WRMAPCHENMDSTJ-NEPJUHHUSA-N 0 3 352.435 -0.513 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001349037986 851900683 /nfs/dbraw/zinc/90/06/83/851900683.db2.gz WRMAPCHENMDSTJ-NWDGAFQWSA-N 0 3 352.435 -0.513 20 0 FBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001349037988 851900905 /nfs/dbraw/zinc/90/09/05/851900905.db2.gz WRMAPCHENMDSTJ-RYUDHWBXSA-N 0 3 352.435 -0.513 20 0 FBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001349037989 851900663 /nfs/dbraw/zinc/90/06/63/851900663.db2.gz WRMAPCHENMDSTJ-VXGBXAGGSA-N 0 3 352.435 -0.513 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)c1nnnn1C1CC1 ZINC001349056614 851902507 /nfs/dbraw/zinc/90/25/07/851902507.db2.gz NUIKQCBLOIKCTE-BMIGLBTASA-N 0 3 367.479 -0.261 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)c1nnnn1C1CC1 ZINC001349056652 851902395 /nfs/dbraw/zinc/90/23/95/851902395.db2.gz NUIKQCBLOIKCTE-BONVTDFDSA-N 0 3 367.479 -0.261 20 0 FBADHN C[C@@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)c1nnnn1C1CC1 ZINC001349056653 851902702 /nfs/dbraw/zinc/90/27/02/851902702.db2.gz NUIKQCBLOIKCTE-MEBBXXQBSA-N 0 3 367.479 -0.261 20 0 FBADHN C[C@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)c1nnnn1C1CC1 ZINC001349056655 851902226 /nfs/dbraw/zinc/90/22/26/851902226.db2.gz NUIKQCBLOIKCTE-ZUZCIYMTSA-N 0 3 367.479 -0.261 20 0 FBADHN O=C(NCCN1CCC2(C1)OCCO2)NC[C@@H]1CCCCN1CCO ZINC001349067293 851903311 /nfs/dbraw/zinc/90/33/11/851903311.db2.gz WESNUJCWMASMPQ-HNNXBMFYSA-N 0 3 356.467 -0.419 20 0 FBADHN O=C(NCCN1CCC2(C1)OCCO2)NC[C@H]1CCCCN1CCO ZINC001349067294 851903537 /nfs/dbraw/zinc/90/35/37/851903537.db2.gz WESNUJCWMASMPQ-OAHLLOKOSA-N 0 3 356.467 -0.419 20 0 FBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC001349087280 851905549 /nfs/dbraw/zinc/90/55/49/851905549.db2.gz ODKIYXDMLMELSZ-AWEZNQCLSA-N 0 3 353.467 -0.340 20 0 FBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC001349087285 851905382 /nfs/dbraw/zinc/90/53/82/851905382.db2.gz ODKIYXDMLMELSZ-CQSZACIVSA-N 0 3 353.467 -0.340 20 0 FBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC001349119224 851907333 /nfs/dbraw/zinc/90/73/33/851907333.db2.gz 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C[C@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)N1CCCCC1 ZINC001349695732 851947556 /nfs/dbraw/zinc/94/75/56/851947556.db2.gz PNCDIKNPLJHDGG-OLZOCXBDSA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)N1CCCCC1 ZINC001349695734 851947369 /nfs/dbraw/zinc/94/73/69/851947369.db2.gz PNCDIKNPLJHDGG-QWHCGFSZSA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)N1CCCCC1 ZINC001349695736 851947299 /nfs/dbraw/zinc/94/72/99/851947299.db2.gz PNCDIKNPLJHDGG-STQMWFEESA-N 0 3 360.480 -0.873 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001349698439 851948715 /nfs/dbraw/zinc/94/87/15/851948715.db2.gz NAIKZHWHLJBXST-HZSPNIEDSA-N 0 3 374.507 -0.627 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001349698440 851948486 /nfs/dbraw/zinc/94/84/86/851948486.db2.gz NAIKZHWHLJBXST-MCIONIFRSA-N 0 3 374.507 -0.627 20 0 FBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001349698441 851948589 /nfs/dbraw/zinc/94/85/89/851948589.db2.gz NAIKZHWHLJBXST-MGPQQGTHSA-N 0 3 374.507 -0.627 20 0 FBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001349698442 851948694 /nfs/dbraw/zinc/94/86/94/851948694.db2.gz NAIKZHWHLJBXST-RDBSUJKOSA-N 0 3 374.507 -0.627 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001349712569 851949655 /nfs/dbraw/zinc/94/96/55/851949655.db2.gz VEOXNXFIKZKDPZ-KBPBESRZSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001349712570 851949542 /nfs/dbraw/zinc/94/95/42/851949542.db2.gz VEOXNXFIKZKDPZ-KGLIPLIRSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001349712571 851949412 /nfs/dbraw/zinc/94/94/12/851949412.db2.gz VEOXNXFIKZKDPZ-UONOGXRCSA-N 0 3 374.507 -0.483 20 0 FBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001349712572 851949480 /nfs/dbraw/zinc/94/94/80/851949480.db2.gz VEOXNXFIKZKDPZ-ZIAGYGMSSA-N 0 3 374.507 -0.483 20 0 FBADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC001349724378 851949664 /nfs/dbraw/zinc/94/96/64/851949664.db2.gz DTQDJTVUHZPFOJ-AWEZNQCLSA-N 0 3 353.467 -0.149 20 0 FBADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC001349724379 851949733 /nfs/dbraw/zinc/94/97/33/851949733.db2.gz DTQDJTVUHZPFOJ-CQSZACIVSA-N 0 3 353.467 -0.149 20 0 FBADHN CN1CCN(C2CCN(C(=O)CN3CCCCS3(=O)=O)CC2)CC1 ZINC001349757269 851953356 /nfs/dbraw/zinc/95/33/56/851953356.db2.gz NUNPHAVLIIUAFQ-UHFFFAOYSA-N 0 3 358.508 -0.350 20 0 FBADHN COCCN(CCN(C)C)C(=O)c1nnn(Cc2nnc(C)o2)c1C ZINC001349783947 851954243 /nfs/dbraw/zinc/95/42/43/851954243.db2.gz FFAZEBHDLLGESI-UHFFFAOYSA-N 0 3 351.411 -0.024 20 0 FBADHN O=C(C(=O)N1CCNCCC12CCC2)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001349795815 851954165 /nfs/dbraw/zinc/95/41/65/851954165.db2.gz IDUIESBMAGSBSR-OLZOCXBDSA-N 0 3 350.419 -0.312 20 0 FBADHN Cn1ncnc1C1(O)CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001349796306 851954389 /nfs/dbraw/zinc/95/43/89/851954389.db2.gz MAHCQNIFECAYPF-CYBMUJFWSA-N 0 3 350.423 -0.719 20 0 FBADHN Cn1ncnc1C1(O)CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001349796307 851954258 /nfs/dbraw/zinc/95/42/58/851954258.db2.gz MAHCQNIFECAYPF-ZDUSSCGKSA-N 0 3 350.423 -0.719 20 0 FBADHN CN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCCN1C ZINC001349832444 851956093 /nfs/dbraw/zinc/95/60/93/851956093.db2.gz CPOYVHGZUSXVIV-CVEARBPZSA-N 0 3 354.495 -0.108 20 0 FBADHN CN1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCCN1C ZINC001349832485 851956400 /nfs/dbraw/zinc/95/64/00/851956400.db2.gz CPOYVHGZUSXVIV-HOTGVXAUSA-N 0 3 354.495 -0.108 20 0 FBADHN CN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCCN1C ZINC001349832488 851956219 /nfs/dbraw/zinc/95/62/19/851956219.db2.gz CPOYVHGZUSXVIV-HZPDHXFCSA-N 0 3 354.495 -0.108 20 0 FBADHN CN1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCCCN1C ZINC001349832489 851956490 /nfs/dbraw/zinc/95/64/90/851956490.db2.gz CPOYVHGZUSXVIV-JKSUJKDBSA-N 0 3 354.495 -0.108 20 0 FBADHN Cc1noc(CN(C)C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)n1 ZINC001349850592 851957539 /nfs/dbraw/zinc/95/75/39/851957539.db2.gz DQUXNWHVQMXRNP-CYBMUJFWSA-N 0 3 353.423 -0.094 20 0 FBADHN Cc1noc(CN(C)C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n1 ZINC001349850595 851957509 /nfs/dbraw/zinc/95/75/09/851957509.db2.gz DQUXNWHVQMXRNP-ZDUSSCGKSA-N 0 3 353.423 -0.094 20 0 FBADHN O=C(CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)N1CCOCC1 ZINC001349888055 851960381 /nfs/dbraw/zinc/96/03/81/851960381.db2.gz DPOQWJFJNDWOFP-KBPBESRZSA-N 0 3 352.435 -0.906 20 0 FBADHN O=C(CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)N1CCOCC1 ZINC001349888056 851960446 /nfs/dbraw/zinc/96/04/46/851960446.db2.gz DPOQWJFJNDWOFP-KGLIPLIRSA-N 0 3 352.435 -0.906 20 0 FBADHN O=C(CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)N1CCOCC1 ZINC001349888057 851960259 /nfs/dbraw/zinc/96/02/59/851960259.db2.gz DPOQWJFJNDWOFP-UONOGXRCSA-N 0 3 352.435 -0.906 20 0 FBADHN O=C(CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)N1CCOCC1 ZINC001349888058 851960139 /nfs/dbraw/zinc/96/01/39/851960139.db2.gz DPOQWJFJNDWOFP-ZIAGYGMSSA-N 0 3 352.435 -0.906 20 0 FBADHN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001349889521 851960458 /nfs/dbraw/zinc/96/04/58/851960458.db2.gz LQUHJNYMKBYGRJ-GXTWGEPZSA-N 0 3 350.419 -0.314 20 0 FBADHN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001349889522 851960230 /nfs/dbraw/zinc/96/02/30/851960230.db2.gz LQUHJNYMKBYGRJ-JSGCOSHPSA-N 0 3 350.419 -0.314 20 0 FBADHN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001349889523 851960031 /nfs/dbraw/zinc/96/00/31/851960031.db2.gz LQUHJNYMKBYGRJ-OCCSQVGLSA-N 0 3 350.419 -0.314 20 0 FBADHN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001349889524 851960355 /nfs/dbraw/zinc/96/03/55/851960355.db2.gz LQUHJNYMKBYGRJ-TZMCWYRMSA-N 0 3 350.419 -0.314 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC001349911909 851961546 /nfs/dbraw/zinc/96/15/46/851961546.db2.gz SEWVSNMFQHOIMI-HZSPNIEDSA-N 0 3 372.491 -0.730 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC001349911911 851961085 /nfs/dbraw/zinc/96/10/85/851961085.db2.gz SEWVSNMFQHOIMI-MCIONIFRSA-N 0 3 372.491 -0.730 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC001349911913 851961343 /nfs/dbraw/zinc/96/13/43/851961343.db2.gz SEWVSNMFQHOIMI-MGPQQGTHSA-N 0 3 372.491 -0.730 20 0 FBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC001349911914 851961449 /nfs/dbraw/zinc/96/14/49/851961449.db2.gz SEWVSNMFQHOIMI-RDBSUJKOSA-N 0 3 372.491 -0.730 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC001349912692 851961518 /nfs/dbraw/zinc/96/15/18/851961518.db2.gz YBVFNBVETXQFQU-IHRRRGAJSA-N 0 3 353.419 -0.480 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC001349912695 851961599 /nfs/dbraw/zinc/96/15/99/851961599.db2.gz YBVFNBVETXQFQU-MCIONIFRSA-N 0 3 353.419 -0.480 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC001349912698 851961573 /nfs/dbraw/zinc/96/15/73/851961573.db2.gz YBVFNBVETXQFQU-MJBXVCDLSA-N 0 3 353.419 -0.480 20 0 FBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC001349912699 851961162 /nfs/dbraw/zinc/96/11/62/851961162.db2.gz YBVFNBVETXQFQU-RDBSUJKOSA-N 0 3 353.419 -0.480 20 0 FBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001349960054 851962564 /nfs/dbraw/zinc/96/25/64/851962564.db2.gz NNZJGDWWNRVYPB-CYBMUJFWSA-N 0 3 372.491 -0.477 20 0 FBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001349960056 851962380 /nfs/dbraw/zinc/96/23/80/851962380.db2.gz NNZJGDWWNRVYPB-ZDUSSCGKSA-N 0 3 372.491 -0.477 20 0 FBADHN CN(CCCNC(=O)C(=O)N1CCNCCC12CCC2)S(C)(=O)=O ZINC001350029543 851964758 /nfs/dbraw/zinc/96/47/58/851964758.db2.gz SOAKVRIXSNGYDC-UHFFFAOYSA-N 0 3 360.480 -0.871 20 0 FBADHN C[C@@H]1CN(C(=O)NCCN2CCNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001350147880 851969935 /nfs/dbraw/zinc/96/99/35/851969935.db2.gz SGAWHNNQFYYKMQ-CABCVRRESA-N 0 3 352.483 -0.321 20 0 FBADHN C[C@H]1CN(C(=O)NCCN2CCNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001350147882 851970183 /nfs/dbraw/zinc/97/01/83/851970183.db2.gz SGAWHNNQFYYKMQ-GJZGRUSLSA-N 0 3 352.483 -0.321 20 0 FBADHN C[C@@H]1CN(C(=O)NCCN2CCNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001350147884 851970158 /nfs/dbraw/zinc/97/01/58/851970158.db2.gz SGAWHNNQFYYKMQ-HUUCEWRRSA-N 0 3 352.483 -0.321 20 0 FBADHN C[C@H]1CN(C(=O)NCCN2CCNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001350147886 851970209 /nfs/dbraw/zinc/97/02/09/851970209.db2.gz SGAWHNNQFYYKMQ-LSDHHAIUSA-N 0 3 352.483 -0.321 20 0 FBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001350199347 851972231 /nfs/dbraw/zinc/97/22/31/851972231.db2.gz DNBYMMVTZZWNCU-AWEZNQCLSA-N 0 3 352.439 -0.657 20 0 FBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001350199377 851972039 /nfs/dbraw/zinc/97/20/39/851972039.db2.gz DNBYMMVTZZWNCU-CQSZACIVSA-N 0 3 352.439 -0.657 20 0 FBADHN 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ZINC001354580843 852233686 /nfs/dbraw/zinc/23/36/86/852233686.db2.gz SDRCVCPZELZJBQ-LBPRGKRZSA-N 0 3 355.464 -0.021 20 0 FBADHN CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001354643510 852236792 /nfs/dbraw/zinc/23/67/92/852236792.db2.gz BPPMOWPUKOWTLB-GXTWGEPZSA-N 0 3 360.480 -0.427 20 0 FBADHN CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001354643511 852237618 /nfs/dbraw/zinc/23/76/18/852237618.db2.gz BPPMOWPUKOWTLB-JSGCOSHPSA-N 0 3 360.480 -0.427 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001354643513 852236828 /nfs/dbraw/zinc/23/68/28/852236828.db2.gz BPPMOWPUKOWTLB-OCCSQVGLSA-N 0 3 360.480 -0.427 20 0 FBADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001354643514 852237014 /nfs/dbraw/zinc/23/70/14/852237014.db2.gz BPPMOWPUKOWTLB-TZMCWYRMSA-N 0 3 360.480 -0.427 20 0 FBADHN CCN(CC)CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001354863268 852244835 /nfs/dbraw/zinc/24/48/35/852244835.db2.gz XCDSSFOCURQKII-HZSPNIEDSA-N 0 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ZINC001355035690 852253049 /nfs/dbraw/zinc/25/30/49/852253049.db2.gz AEPRJLYABYWTBZ-LLVKDONJSA-N 0 3 353.448 -0.447 20 0 FBADHN C[C@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)c1cncs1 ZINC001355035692 852253466 /nfs/dbraw/zinc/25/34/66/852253466.db2.gz AEPRJLYABYWTBZ-NSHDSACASA-N 0 3 353.448 -0.447 20 0 FBADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC001355048605 852253147 /nfs/dbraw/zinc/25/31/47/852253147.db2.gz DQKZJGIOFDIVTF-UHFFFAOYSA-N 0 3 374.507 -0.672 20 0 FBADHN CN1CCN(C)CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC001355063332 852254050 /nfs/dbraw/zinc/25/40/50/852254050.db2.gz ZTQCBGDWSTXXQM-UHFFFAOYSA-N 0 3 369.491 -0.548 20 0 FBADHN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC3(CC2)CNCCO3)C1=O ZINC001355156421 852256120 /nfs/dbraw/zinc/25/61/20/852256120.db2.gz BIVFTRMKEZTSRC-INIZCTEOSA-N 0 3 350.419 -0.312 20 0 FBADHN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC3(CC2)CNCCO3)C1=O ZINC001355156423 852256518 /nfs/dbraw/zinc/25/65/18/852256518.db2.gz BIVFTRMKEZTSRC-MRXNPFEDSA-N 0 3 350.419 -0.312 20 0 FBADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCC2(CC1)CNCCO2 ZINC001355157410 852256758 /nfs/dbraw/zinc/25/67/58/852256758.db2.gz IAHDAVHMBZJKEX-UHFFFAOYSA-N 0 3 363.480 -0.688 20 0 FBADHN O=C(CC1(n2cnnn2)CCOCC1)N1CCC2(CC1)CNCCO2 ZINC001355158281 852256691 /nfs/dbraw/zinc/25/66/91/852256691.db2.gz SAFMDQDPHLQWCU-UHFFFAOYSA-N 0 3 350.423 -0.450 20 0 FBADHN Cc1nc(CC2=NOC3(CCN(CCN4CCOCC4)CC3)N2)no1 ZINC001355186411 852257217 /nfs/dbraw/zinc/25/72/17/852257217.db2.gz RFCGOPZVGXZJLT-UHFFFAOYSA-N 0 3 350.423 -0.022 20 0 FBADHN COCCn1c(C2CCN(CCO)CC2)nnc1N1CCNC(=O)C1 ZINC001355221883 852257238 /nfs/dbraw/zinc/25/72/38/852257238.db2.gz PCFMKYYHPLKTBL-UHFFFAOYSA-N 0 3 352.439 -0.968 20 0 FBADHN O=C(c1ccc2c(c1)OCCNC2)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001355249255 852259132 /nfs/dbraw/zinc/25/91/32/852259132.db2.gz QHANIWVXAKLNAS-CYBMUJFWSA-N 0 3 352.416 -0.857 20 0 FBADHN O=C(c1ccc2c(c1)OCCNC2)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001355249259 852258370 /nfs/dbraw/zinc/25/83/70/852258370.db2.gz QHANIWVXAKLNAS-ZDUSSCGKSA-N 0 3 352.416 -0.857 20 0 FBADHN COC[C@@H](O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC001355258083 852258540 /nfs/dbraw/zinc/25/85/40/852258540.db2.gz IXIZUWYBGGVRNP-CYBMUJFWSA-N 0 3 352.439 -0.761 20 0 FBADHN COC[C@H](O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC001355258084 852258939 /nfs/dbraw/zinc/25/89/39/852258939.db2.gz IXIZUWYBGGVRNP-ZDUSSCGKSA-N 0 3 352.439 -0.761 20 0 FBADHN Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(O)CCOC1 ZINC001355297033 852259812 /nfs/dbraw/zinc/25/98/12/852259812.db2.gz JMKLCPNAHKIYDY-KRWDZBQOSA-N 0 3 351.451 -0.028 20 0 FBADHN Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(O)CCOC1 ZINC001355297034 852259836 /nfs/dbraw/zinc/25/98/36/852259836.db2.gz JMKLCPNAHKIYDY-QGZVFWFLSA-N 0 3 351.451 -0.028 20 0 FBADHN COCCn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001355298578 852260212 /nfs/dbraw/zinc/26/02/12/852260212.db2.gz YYBZAVQEFRPBPD-CYBMUJFWSA-N 0 3 374.511 -0.281 20 0 FBADHN CCC(C)(C)N1CCN(c2nnnn2CCS(=O)(=O)N(C)C)CC1 ZINC001355556300 852265213 /nfs/dbraw/zinc/26/52/13/852265213.db2.gz IIOXKDPORWGHNC-UHFFFAOYSA-N 0 3 359.500 -0.125 20 0 FBADHN C[C@@H]1CN(c2nnc(C3CCN(CCO)CC3)n2C)CCS1(=O)=O ZINC001355570762 852266997 /nfs/dbraw/zinc/26/69/97/852266997.db2.gz JHWRBXDVTAANLN-GFCCVEGCSA-N 0 3 357.480 -0.390 20 0 FBADHN Cn1c(CC(C)(C)O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001355754715 852274201 /nfs/dbraw/zinc/27/42/01/852274201.db2.gz LUOFLWRHRXOLAC-UHFFFAOYSA-N 0 3 350.467 -0.127 20 0 FBADHN O=C(C(=O)N1CCNCCC12CCOCC2)N1CCO[C@@H](C(F)F)C1 ZINC001356095976 852286482 /nfs/dbraw/zinc/28/64/82/852286482.db2.gz AOAAGSHVWMQBIC-GFCCVEGCSA-N 0 3 361.389 -0.150 20 0 FBADHN O=C(C(=O)N1CCNCCC12CCOCC2)N1CCO[C@H](C(F)F)C1 ZINC001356095978 852286397 /nfs/dbraw/zinc/28/63/97/852286397.db2.gz AOAAGSHVWMQBIC-LBPRGKRZSA-N 0 3 361.389 -0.150 20 0 FBADHN C[C@]1(CO)CCCN(C(=O)C(=O)N2CCNCCC23CCOCC3)C1 ZINC001356098418 852287491 /nfs/dbraw/zinc/28/74/91/852287491.db2.gz KTDNNEVFQPHGMQ-KRWDZBQOSA-N 0 3 353.463 -0.022 20 0 FBADHN C[C@@]1(CO)CCCN(C(=O)C(=O)N2CCNCCC23CCOCC3)C1 ZINC001356098419 852287536 /nfs/dbraw/zinc/28/75/36/852287536.db2.gz KTDNNEVFQPHGMQ-QGZVFWFLSA-N 0 3 353.463 -0.022 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CCNCCC23CCOCC3)CC[C@@H]1O ZINC001356100806 852287641 /nfs/dbraw/zinc/28/76/41/852287641.db2.gz RKQNTIPKXUPOOJ-AWEZNQCLSA-N 0 3 353.463 -0.023 20 0 FBADHN CC1(C)CN(C(=O)C(=O)N2CCNCCC23CCOCC3)CC[C@H]1O ZINC001356100810 852287020 /nfs/dbraw/zinc/28/70/20/852287020.db2.gz RKQNTIPKXUPOOJ-CQSZACIVSA-N 0 3 353.463 -0.023 20 0 FBADHN CCN(CCC(=O)NC)C(=O)C(=O)N1CCNCCC12CCOCC2 ZINC001356102868 852287401 /nfs/dbraw/zinc/28/74/01/852287401.db2.gz ZTEZDGCDGOZKOY-UHFFFAOYSA-N 0 3 354.451 -0.658 20 0 FBADHN CN(CC1CCN(C)CC1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001356143510 852289521 /nfs/dbraw/zinc/28/95/21/852289521.db2.gz CHVWANXIPYYRAU-UHFFFAOYSA-N 0 3 353.510 -0.519 20 0 FBADHN CC1(N2CCC2)CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001356182001 852290801 /nfs/dbraw/zinc/29/08/01/852290801.db2.gz 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ZINC001356341290 852301501 /nfs/dbraw/zinc/30/15/01/852301501.db2.gz VMLFULWBUFTICV-MELADBBJSA-N 0 3 354.451 -0.533 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@H]3C[C@H]3CCOC3)C[C@@H]21 ZINC001356395661 852304241 /nfs/dbraw/zinc/30/42/41/852304241.db2.gz DXMZRZPDZYEGCM-FPCVCCKLSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@@H]3C[C@@H]3CCOC3)C[C@@H]21 ZINC001356395662 852304796 /nfs/dbraw/zinc/30/47/96/852304796.db2.gz DXMZRZPDZYEGCM-FZKCQIBNSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@H]3C[C@@H]3CCOC3)C[C@@H]21 ZINC001356395663 852304885 /nfs/dbraw/zinc/30/48/85/852304885.db2.gz DXMZRZPDZYEGCM-JJXSEGSLSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@@H]3C[C@H]3CCOC3)C[C@@H]21 ZINC001356395664 852304663 /nfs/dbraw/zinc/30/46/63/852304663.db2.gz DXMZRZPDZYEGCM-WCVJEAGWSA-N 0 3 351.447 -0.197 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@H]3C[C@H]3CCCO3)C[C@@H]21 ZINC001356398268 852306225 /nfs/dbraw/zinc/30/62/25/852306225.db2.gz QHXSNXMPIJQBHZ-FPCVCCKLSA-N 0 3 351.447 -0.055 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@@H]3C[C@H]3CCCO3)C[C@@H]21 ZINC001356398271 852305739 /nfs/dbraw/zinc/30/57/39/852305739.db2.gz QHXSNXMPIJQBHZ-QXSJWSMHSA-N 0 3 351.447 -0.055 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@@H]3C[C@@H]3CCCO3)C[C@@H]21 ZINC001356398274 852306362 /nfs/dbraw/zinc/30/63/62/852306362.db2.gz QHXSNXMPIJQBHZ-UGUYLWEFSA-N 0 3 351.447 -0.055 20 0 FBADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@H]3C[C@@H]3CCCO3)C[C@@H]21 ZINC001356398277 852305633 /nfs/dbraw/zinc/30/56/33/852305633.db2.gz QHXSNXMPIJQBHZ-WCVJEAGWSA-N 0 3 351.447 -0.055 20 0 FBADHN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)C(=O)N1CCNCCNCC1 ZINC001356424635 852307847 /nfs/dbraw/zinc/30/78/47/852307847.db2.gz RCQCLMFZMLCAJE-BXUZGUMPSA-N 0 3 352.385 -0.042 20 0 FBADHN O=C(NCc1c(F)c(F)cc(F)c1F)C(=O)N1CCNCCNCC1 ZINC001356439720 852309626 /nfs/dbraw/zinc/30/96/26/852309626.db2.gz LERLIVCYPIYGGS-UHFFFAOYSA-N 0 3 362.327 -0.119 20 0 FBADHN Cn1nc(C(F)(F)F)cc1CNC(=O)C(=O)N1CCNCCNCC1 ZINC001356478826 852310930 /nfs/dbraw/zinc/31/09/30/852310930.db2.gz JTFVGXJUURWPLT-UHFFFAOYSA-N 0 3 362.356 -0.924 20 0 FBADHN O=C(NCCCOc1cccc(F)c1)C(=O)N1CCNCCNCC1 ZINC001356497076 852311868 /nfs/dbraw/zinc/31/18/68/852311868.db2.gz AFVATDWUKIDBBW-UHFFFAOYSA-N 0 3 352.410 -0.268 20 0 FBADHN CN(CC(=O)N1CCNCCC12CCOCC2)[C@H]1CCS(=O)(=O)C1 ZINC001356523141 852312925 /nfs/dbraw/zinc/31/29/25/852312925.db2.gz QWMIMJBQQQXZEE-AWEZNQCLSA-N 0 3 359.492 -0.524 20 0 FBADHN CN(CC(=O)N1CCNCCC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC001356523142 852313088 /nfs/dbraw/zinc/31/30/88/852313088.db2.gz QWMIMJBQQQXZEE-CQSZACIVSA-N 0 3 359.492 -0.524 20 0 FBADHN CN(C[C@H](O)CNCCN1CCCS1(=O)=O)C(=O)OC(C)(C)C ZINC001356583535 852314316 /nfs/dbraw/zinc/31/43/16/852314316.db2.gz JGWDJAGGIDPLAD-GFCCVEGCSA-N 0 3 351.469 -0.161 20 0 FBADHN CN(C[C@@H](O)CNCCN1CCCS1(=O)=O)C(=O)OC(C)(C)C ZINC001356583538 852314373 /nfs/dbraw/zinc/31/43/73/852314373.db2.gz JGWDJAGGIDPLAD-LBPRGKRZSA-N 0 3 351.469 -0.161 20 0 FBADHN COCC[C@H]1CNCCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC001356630361 852315438 /nfs/dbraw/zinc/31/54/38/852315438.db2.gz XWVISINEJPDWTG-HNNXBMFYSA-N 0 3 355.483 -0.441 20 0 FBADHN COCC[C@@H]1CNCCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC001356630363 852315726 /nfs/dbraw/zinc/31/57/26/852315726.db2.gz XWVISINEJPDWTG-OAHLLOKOSA-N 0 3 355.483 -0.441 20 0 FBADHN CC[C@H](C(=O)NCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1)N(C)C ZINC001356636407 852316429 /nfs/dbraw/zinc/31/64/29/852316429.db2.gz OROCVMGOLUYGCU-HZSPNIEDSA-N 0 3 354.451 -0.533 20 0 FBADHN CC[C@@H](C(=O)NCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1)N(C)C ZINC001356636408 852316927 /nfs/dbraw/zinc/31/69/27/852316927.db2.gz OROCVMGOLUYGCU-MELADBBJSA-N 0 3 354.451 -0.533 20 0 FBADHN CC(C)N(C)CC(=O)N(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001356644818 852316376 /nfs/dbraw/zinc/31/63/76/852316376.db2.gz VMHUPIKNCGMQPW-UONOGXRCSA-N 0 3 354.451 -0.533 20 0 FBADHN CCCN(C)CC(=O)NC1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001356780842 852319832 /nfs/dbraw/zinc/31/98/32/852319832.db2.gz MOFQRQSACHJNOU-KGLIPLIRSA-N 0 3 354.451 -0.532 20 0 FBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNC(=O)C1(N(C)C)CCC1 ZINC001357028461 852326447 /nfs/dbraw/zinc/32/64/47/852326447.db2.gz OVSADSSOWMDXAA-FRRDWIJNSA-N 0 3 354.451 -0.628 20 0 FBADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNC(=O)C1(N(C)C)CCC1 ZINC001357028462 852326328 /nfs/dbraw/zinc/32/63/28/852326328.db2.gz OVSADSSOWMDXAA-RWMBFGLXSA-N 0 3 354.451 -0.628 20 0 FBADHN C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnnn1C ZINC001357138626 852328278 /nfs/dbraw/zinc/32/82/78/852328278.db2.gz MPQVISLEUBBSLT-NEPJUHHUSA-N 0 3 352.443 -0.487 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnnn1C ZINC001357138627 852328527 /nfs/dbraw/zinc/32/85/27/852328527.db2.gz MPQVISLEUBBSLT-NWDGAFQWSA-N 0 3 352.443 -0.487 20 0 FBADHN C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnnn1C ZINC001357138628 852328369 /nfs/dbraw/zinc/32/83/69/852328369.db2.gz MPQVISLEUBBSLT-RYUDHWBXSA-N 0 3 352.443 -0.487 20 0 FBADHN C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnnn1C ZINC001357138629 852328893 /nfs/dbraw/zinc/32/88/93/852328893.db2.gz MPQVISLEUBBSLT-VXGBXAGGSA-N 0 3 352.443 -0.487 20 0 FBADHN COCCN(C)CCNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001357235806 852331099 /nfs/dbraw/zinc/33/10/99/852331099.db2.gz ZXKVDXATJFWNQR-UHFFFAOYSA-N 0 3 363.480 -0.446 20 0 FBADHN C[C@H](NC(=O)c1cc2c(s1)CNCC2)C(=O)N1CCS(=O)(=O)CC1 ZINC001357249848 852330865 /nfs/dbraw/zinc/33/08/65/852330865.db2.gz MFJARECUDPJHPB-JTQLQIEISA-N 0 3 371.484 -0.231 20 0 FBADHN C[C@@H](NC(=O)c1cc2c(s1)CNCC2)C(=O)N1CCS(=O)(=O)CC1 ZINC001357249850 852331047 /nfs/dbraw/zinc/33/10/47/852331047.db2.gz MFJARECUDPJHPB-SNVBAGLBSA-N 0 3 371.484 -0.231 20 0 FBADHN CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)C ZINC001357279466 852332348 /nfs/dbraw/zinc/33/23/48/852332348.db2.gz UOBCTWBUWQWCPK-BFHYXJOUSA-N 0 3 356.467 -0.478 20 0 FBADHN C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001357284534 852332144 /nfs/dbraw/zinc/33/21/44/852332144.db2.gz GSXYOGDAGIICSV-HZSPNIEDSA-N 0 3 354.451 -0.722 20 0 FBADHN C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001357284535 852332327 /nfs/dbraw/zinc/33/23/27/852332327.db2.gz GSXYOGDAGIICSV-MELADBBJSA-N 0 3 354.451 -0.722 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001357395739 852335247 /nfs/dbraw/zinc/33/52/47/852335247.db2.gz GSWLZRCXNCMWBH-GDBMZVCRSA-N 0 3 351.495 -0.519 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001357395753 852335218 /nfs/dbraw/zinc/33/52/18/852335218.db2.gz GSWLZRCXNCMWBH-GOEBONIOSA-N 0 3 351.495 -0.519 20 0 FBADHN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001357395755 852335088 /nfs/dbraw/zinc/33/50/88/852335088.db2.gz GSWLZRCXNCMWBH-HOCLYGCPSA-N 0 3 351.495 -0.519 20 0 FBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001357395756 852334508 /nfs/dbraw/zinc/33/45/08/852334508.db2.gz GSWLZRCXNCMWBH-ZBFHGGJFSA-N 0 3 351.495 -0.519 20 0 FBADHN O=C(NCC1(N2CCCCC2)CCOCC1)C1CNCCS1(=O)=O ZINC001357406532 852335138 /nfs/dbraw/zinc/33/51/38/852335138.db2.gz XJXQBXUYSVIWAV-AWEZNQCLSA-N 0 3 359.492 -0.476 20 0 FBADHN O=C(NCC1(N2CCCCC2)CCOCC1)C1CNCCS1(=O)=O ZINC001357406538 852334888 /nfs/dbraw/zinc/33/48/88/852334888.db2.gz XJXQBXUYSVIWAV-CQSZACIVSA-N 0 3 359.492 -0.476 20 0 FBADHN CN(C)C1(C(=O)NC[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCC1 ZINC001357444445 852338659 /nfs/dbraw/zinc/33/86/59/852338659.db2.gz RVXAUMCYNBKIGK-LJISPDSOSA-N 0 3 353.463 -0.121 20 0 FBADHN CN(C)C1(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCC1 ZINC001357444446 852338100 /nfs/dbraw/zinc/33/81/00/852338100.db2.gz RVXAUMCYNBKIGK-ZQDZILKHSA-N 0 3 353.463 -0.121 20 0 FBADHN COc1ccccc1[C@@H]1CNCCN1C(=O)C1CNCCS1(=O)=O ZINC001357462972 852340763 /nfs/dbraw/zinc/34/07/63/852340763.db2.gz JCIDJQDLRHPYCA-DZGCQCFKSA-N 0 3 353.444 -0.445 20 0 FBADHN COc1ccccc1[C@H]1CNCCN1C(=O)C1CNCCS1(=O)=O ZINC001357462975 852340543 /nfs/dbraw/zinc/34/05/43/852340543.db2.gz JCIDJQDLRHPYCA-HIFRSBDPSA-N 0 3 353.444 -0.445 20 0 FBADHN COc1ccccc1[C@H]1CNCCN1C(=O)C1CNCCS1(=O)=O ZINC001357462978 852340369 /nfs/dbraw/zinc/34/03/69/852340369.db2.gz JCIDJQDLRHPYCA-UKRRQHHQSA-N 0 3 353.444 -0.445 20 0 FBADHN COc1ccccc1[C@@H]1CNCCN1C(=O)C1CNCCS1(=O)=O ZINC001357462981 852340902 /nfs/dbraw/zinc/34/09/02/852340902.db2.gz JCIDJQDLRHPYCA-ZFWWWQNUSA-N 0 3 353.444 -0.445 20 0 FBADHN CN1CCNC[C@H]1C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001357558971 852343171 /nfs/dbraw/zinc/34/31/71/852343171.db2.gz AACLKRLUOWKLMR-HNNXBMFYSA-N 0 3 352.460 -0.254 20 0 FBADHN CN1CCNC[C@@H]1C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001357558973 852342980 /nfs/dbraw/zinc/34/29/80/852342980.db2.gz AACLKRLUOWKLMR-OAHLLOKOSA-N 0 3 352.460 -0.254 20 0 FBADHN CN1CCNC[C@H]1C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC001357559906 852342884 /nfs/dbraw/zinc/34/28/84/852342884.db2.gz KKQDXHVPMZRHTN-HNNXBMFYSA-N 0 3 352.460 -0.254 20 0 FBADHN CN1CCNC[C@@H]1C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC001357559908 852343428 /nfs/dbraw/zinc/34/34/28/852343428.db2.gz KKQDXHVPMZRHTN-OAHLLOKOSA-N 0 3 352.460 -0.254 20 0 FBADHN CN1CC[NH2+]C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001357599726 852344489 /nfs/dbraw/zinc/34/44/89/852344489.db2.gz FOLNXYUWXKVOKN-GFCCVEGCSA-N 0 3 362.402 -0.737 20 0 FBADHN CN1CC[NH2+]C[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001357599727 852344696 /nfs/dbraw/zinc/34/46/96/852344696.db2.gz FOLNXYUWXKVOKN-LBPRGKRZSA-N 0 3 362.402 -0.737 20 0 FBADHN C[C@H]1NCCn2c(C(=O)N3CC(S(=O)(=O)N4CCNCC4)C3)ccc21 ZINC001357631304 852344789 /nfs/dbraw/zinc/34/47/89/852344789.db2.gz XQDOCDQVPYZOJU-GFCCVEGCSA-N 0 3 367.475 -0.788 20 0 FBADHN C[C@@H]1NCCn2c(C(=O)N3CC(S(=O)(=O)N4CCNCC4)C3)ccc21 ZINC001357631305 852344214 /nfs/dbraw/zinc/34/42/14/852344214.db2.gz XQDOCDQVPYZOJU-LBPRGKRZSA-N 0 3 367.475 -0.788 20 0 FBADHN COCCc1ccc(OC[C@@H](O)CNC(=O)[C@H]2CNCCN2C)cc1 ZINC001357825493 852348208 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